| 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 | 51.8 | Low | 54.5 | Low | 211 Ų | 211 | 113.9 Ų | 113.9 | 100% | 1.039 | 63% | 0.626 | S | S | * | * | 0 | 35.1 | 0 | -65.2 | -123.5 | 73.5 | 0 | 0 | 112.3 | |||||
| 2 | T | 57.5 | Low | 54.1 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | trans | -116.9 | -26.6 | -172 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | L6 | T2-L6 PolarHBondContact O-N 3.17Š| ||
| 3 | V | 55.1 | Low | 53.4 | Low | 118 Ų | 118 | 107.6 Ų | 107.6 | 72% | 0.715 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.4 | -37.1 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 112 | C7 | V3-C7 WeakPolarHBondContact O-CB 3.44Å; V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å |
| 4 | F | 53.7 | Low | 52.9 | Low | 166 Ų | 166 | 109 Ų | 109 | 73% | 0.728 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68 | -35.1 | 177 | -97.7 | -85.8 | 0 | 0 | 0 | 112.9 | L8 | F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | S | 56.3 | Low | 52.4 | Low | 69 Ų | 69 | 109.9 Ų | 109.9 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.3 | -35 | 179.3 | -160.7 | 0 | 0 | 0 | 0 | 112.3 | L9 | S5-L9 WeakPolarHBondContact O-CD1 3.27Å; S5-L9 WeakPolarHBondContact O-CG 3.26Å; S5-L9 PolarHBondContact O-N 3.32Å; S5-L9 VanDerWaalsContact O-N 3.16Å |
| 6 | L | 54.5 | Low | 51.9 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 60% | 0.597 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -37.1 | 175.1 | -125.5 | 87.4 | 0 | 0 | 0 | 111.9 | T2 L9 L10 | T2-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 2.95Å; L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.76Å |
| 7 | C | 55.4 | Low | 51.6 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 49% | 0.486 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.4 | -37 | 177.3 | -154.6 | 0 | 0 | 0 | 0 | 111.7 | V3 C11 | V3-C7 WeakPolarHBondContact O-CB 3.44Å; V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å; C7-C11 VanDerWaalsContact O-CB 3.24Å; C7-C11 WeakPolarHBondContact O-CB 3.4Å; C7-C11 PolarHBondContact O-N 2.8Å; C7-C11 PolarHBondContact O-SG 2.57Å |
| 8 | L | 56.7 | Low | 51.6 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.3 | -37.6 | 173.8 | -85.6 | 157 | 0 | 0 | 0 | 113 | F4 A12 | F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.11Å; L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.04Å |
| 9 | L | 54.9 | Low | 51.9 | Low | 103 Ų | 103 | 108.6 Ų | 108.6 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.1 | -44 | 175 | -77.7 | 160.1 | 0 | 0 | 0 | 111.9 | S5 L6 C11 A12 D13 | S5-L9 WeakPolarHBondContact O-CD1 3.27Å; S5-L9 WeakPolarHBondContact O-CG 3.26Å; S5-L9 PolarHBondContact O-N 3.32Å; S5-L9 VanDerWaalsContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 2.95Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.87Å; L9-A12 PolarHBondContact O-N 2.73Å; L9-A12 VanDerWaalsContact O-N 3.16Å; L9-D13 PolarHBondContact O-N 3.19Å |
| 10 | L | 52 | Low | 52.5 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.1 | -36 | 174.2 | -78.9 | 160.3 | 0 | 0 | 0 | 112.5 | L6 L14 | L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.76Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.38Å |
| 11 | C | 51.2 | Low | 53.6 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71 | -31.2 | 173.2 | -76.3 | 0 | 0 | 0 | 0 | 112.8 | C7 L9 L15 | C7-C11 VanDerWaalsContact O-CB 3.24Å; C7-C11 WeakPolarHBondContact O-CB 3.4Å; C7-C11 PolarHBondContact O-N 2.8Å; C7-C11 PolarHBondContact O-SG 2.57Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.87Å; C11-L15 WeakPolarHBondContact O-CB 3.19Å; C11-L15 WeakPolarHBondContact O-CD1 3.45Å; C11-L15 VanDerWaalsContact O-CG 3.3Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.32Å |
| 12 | A | 50.3 | Low | 55.1 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.2 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L8 L9 L14 L15 D16 | L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.04Å; L9-A12 PolarHBondContact O-N 2.73Å; L9-A12 VanDerWaalsContact O-N 3.16Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.35Å; A12-L15 WeakPolarHBondContact O-CB 3.12Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-L15 VanDerWaalsContact O-N 3.13Å; A12-D16 PolarHBondContact O-N 2.82Å |
| 13 | D | 44.4 | Very low | 56.5 | Low | 100 Ų | 100 | 93.7 Ų | 93.7 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -31.4 | 174 | -68.8 | -29.1 | 0 | 0 | 0 | 112.2 | L9 L17 | L9-D13 PolarHBondContact O-N 3.19Å; D13-L17 PolarHBondContact O-N 3.28Å |
| 14 | L | 46.9 | Very low | 58.1 | Low | 127 Ų | 127 | 89.2 Ų | 89.2 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -26.2 | 171.2 | -99.6 | 142.5 | 0 | 0 | 0 | 113.4 | L10 A12 | L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.38Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.35Å |
| 15 | L | 44.9 | Very low | 59.8 | Low | 122 Ų | 122 | 85.3 Ų | 85.3 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.5 | -33.1 | 174.4 | -83.6 | 159 | 0 | 0 | 0 | 111.8 | C11 A12 L17 A18 | C11-L15 WeakPolarHBondContact O-CB 3.19Å; C11-L15 WeakPolarHBondContact O-CD1 3.45Å; C11-L15 VanDerWaalsContact O-CG 3.3Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.32Å; A12-L15 WeakPolarHBondContact O-CB 3.12Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-L15 VanDerWaalsContact O-N 3.13Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-A18 WeakPolarHBondContact O-CB 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å |
| 16 | D | 44.3 | Very low | 61.4 | Low | 131 Ų | 131 | 83.5 Ų | 83.5 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.5 | -25.5 | 174.2 | -101.4 | -14.4 | 0 | 0 | 0 | 113 | A12 A18 | A12-D16 PolarHBondContact O-N 2.82Å; D16-A18 VanDerWaalsContact C-N 3.25Å; D16-A18 PolarHBondContact O-N 2.92Å |
| 17 | L | 47.9 | Very low | 63.1 | Low | 130 Ų | 130 | 82 Ų | 82 | 68% | 0.681 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.5 | 170.8 | -103.9 | 88.4 | 0 | 0 | 0 | 114.4 | D13 L15 | D13-L17 PolarHBondContact O-N 3.28Å; L15-L17 VanDerWaalsContact C-N 3.33Å |
| 18 | A | 51.3 | Low | 64.7 | Low | 45 Ų | 45 | 83.9 Ų | 83.9 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L15 D16 | L15-A18 WeakPolarHBondContact O-CB 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å; D16-A18 VanDerWaalsContact C-N 3.25Å; D16-A18 PolarHBondContact O-N 2.92Å |
| 19 | V | 57.1 | Low | 66.2 | Low | 109 Ų | 109 | 80.4 Ų | 80.4 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -97.9 | 105.4 | 179.1 | -173 | 0 | 0 | 0 | 0 | 108.9 | Y21 | V19-Y21 PolarHBondContact O-N 3.08Š|
| 20 | G | 62.9 | Low | 68 | Low | 14 Ų | 14 | 80 Ų | 80 | 14% | 0.144 | 46% | 0.456 | C | S | . | . | trans | -59.4 | 136.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D47 | G20-D47 WeakPolarHBondContact CA-OD1 3.12Š| ||
| 21 | Y | 76.9 | Confident | 70 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | trans | -94.8 | 139.1 | 178.6 | 75 | -93.4 | 0 | 0 | 0 | 110.8 | V19 K45 T46 D47 | V19-Y21 PolarHBondContact O-N 3.08Å; Y21-K45 HydrophobicContact CE2-CB 4.19Å; Y21-T46 VanDerWaalsContact O-CA 3.29Å; Y21-T46 WeakPolarHBondContact O-CA 3.5Å; Y21-T46 PolarHBondContact O-OG1 2.98Å; Y21-D47 HydrophobicContact CD1-CB 3.88Å; Y21-D47 VanDerWaalsContact CD1-CG 3.43Å; Y21-D47 HydrophobicContact CE1-CB 3.46Å; Y21-D47 VanDerWaalsContact CE1-CB 3.46Å; Y21-D47 PolarHBondContact N-OD1 3.22Å | ||
| 22 | L | 83.4 | Confident | 72 | Confident | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 118.1 | 173.6 | 178.3 | 62.3 | 0 | 0 | 0 | 108.9 | V24 F44 T46 V114 I116 A128 | L22-V24 HydrophobicContact CD1-CG2 4.4Å; L22-V24 HydrophobicContact CG-CG2 4.44Å; L22-F44 HydrophobicContact CD1-CD2 4.46Å; L22-T46 HydrophobicContact CD1-CG2 4.45Å; L22-V114 HydrophobicContact CD1-CB 4.49Å; L22-V114 HydrophobicContact CD1-CG1 4.02Å; L22-V114 HydrophobicContact CD2-CB 4.48Å; L22-V114 HydrophobicContact CD2-CG1 4.45Å; L22-V114 WeakPolarHBondContact CD2-O 3.46Å; L22-I116 HydrophobicContact CB-CD1 3.94Å; L22-I116 HydrophobicContact CD1-CG2 4.1Å; L22-I116 HydrophobicContact CD2-CD1 4.42Å; L22-I116 HydrophobicContact CD2-CG1 4.24Å; L22-I116 HydrophobicContact CD2-CG2 4.29Å; L22-A128 HydrophobicContact CB-CB 4.38Å; L22-A128 HydrophobicContact CD2-CB 3.45Å; L22-A128 VanDerWaalsContact CD2-CB 3.45Å; L22-A128 HydrophobicContact CG-CB 3.57Å |
| 23 | T | 85.7 | Confident | 74.2 | Confident | 73 Ų | 73 | 75.2 Ų | 75.2 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.9 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 109.4 | F44 K45 | T23-F44 CarbonylContact O-C 3.55Å; T23-F44 WeakPolarHBondContact O-CA 3.42Å; T23-F44 WeakPolarHBondContact O-CB 3.3Å; T23-K45 PolarHBondContact N-O 3Å; T23-K45 PolarHBondContact O-N 3.2Å |
| 24 | V | 89.9 | Confident | 76.5 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 14% | 0.139 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.9 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | L22 C42 F44 V114 A128 | L22-V24 HydrophobicContact CD1-CG2 4.4Å; L22-V24 HydrophobicContact CG-CG2 4.44Å; V24-C42 VanDerWaalsContact CG1-SG 3.55Å; V24-F44 HydrophobicContact CG2-CB 3.99Å; V24-V114 HydrophobicContact CG1-CG2 4.47Å; V24-V114 HydrophobicContact CG2-CB 3.87Å; V24-V114 HydrophobicContact CG2-CG2 3.76Å; V24-A128 HydrophobicContact CB-CB 4.34Å; V24-A128 HydrophobicContact CG2-CB 3.62Å |
| 25 | T | 89.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135 | -179.5 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | N43 | T25-N43 PolarHBondContact N-O 2.83Å; T25-N43 PolarHBondContact O-N 3.01Å; T25-N43 PolarHBondContact OG1-O 3.04Å |
| 26 | I | 90.4 | Very high | 81 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136 | 177 | -60.8 | -175 | 0 | 0 | 0 | 108.6 | K41 C42 W55 C112 G130 V132 | I26-K41 WeakPolarHBondContact CG2-O 3.26Å; I26-C42 HydrophobicContact CG1-CB 4.24Å; I26-W55 HydrophobicContact CD1-CH2 4.31Å; I26-W55 HydrophobicContact CD1-CZ3 4.21Å; I26-C112 HydrophobicContact CD1-CB 3.64Å; I26-C112 HydrophobicContact CG1-CB 4.26Å; I26-G130 VanDerWaalsContact CD1-O 3.28Å; I26-G130 WeakPolarHBondContact CD1-O 3.49Å; I26-V132 HydrophobicContact CB-CB 4.48Å; I26-V132 HydrophobicContact CD1-CG1 4.45Å; I26-V132 HydrophobicContact CG2-CB 3.61Å; I26-V132 HydrophobicContact CG2-CG1 3.76Å; I26-V132 HydrophobicContact CG2-CG2 4.24Å |
| 27 | E | 88.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | trans | -71.4 | 127.2 | 176.5 | -167.7 | 178.2 | 168.4 | 0 | 0 | 109.5 | K41 | E27-K41 HydrophobicContact CB-CB 4.4Å; E27-K41 PolarHBondContact N-O 2.85Å; E27-K41 WeakPolarHBondContact OE2-CD 3.34Å; E27-K41 IonicContact OE2-NZ 3.63Å; E27-K41 PolarHBondContact OE2-NZ 3.22Å | ||
| 28 | P | 89.3 | Confident | 85.6 | Confident | 111 Ų | 111 | 59.7 Ų | 59.7 | 72% | 0.721 | 36% | 0.357 | S | S | * | . | trans | -65.7 | 144.5 | 176.7 | 28.4 | -33.9 | 0 | 0 | 0 | 110.2 | ||||
| 29 | L | 89.8 | Confident | 87.6 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | trans | -112.7 | 138.8 | -178.2 | -69.6 | 167.9 | 0 | 0 | 0 | 111 | V38 L40 | L29-V38 HydrophobicContact CD1-CG2 3.8Å; L29-L40 HydrophobicContact CD1-CD2 3.32Å | ||
| 30 | P | 92.1 | Very high | 89.3 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 62% | 0.623 | 32% | 0.319 | S | S | * | . | trans | -66.6 | 161.6 | 168.6 | 30.8 | -34.5 | 0 | 0 | 0 | 110.4 | V32 | P30-V32 WeakPolarHBondContact O-CG2 3.42Å; P30-V32 PolarHBondContact O-N 3.36Å | ||
| 31 | P | 93.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 57 Ų | 57 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | trans | -56.8 | 135.9 | 172.2 | -23.6 | 34.6 | 0 | 0 | 0 | 111.5 | T135 M137 | P31-T135 WeakPolarHBondContact CA-O 3.26Å; P31-T135 HydrophobicContact CB-CG2 4.08Å; P31-T135 HydrophobicContact CG-CG2 4.37Å; P31-M137 HydrophobicContact CB-CE 3.73Å; P31-M137 HydrophobicContact CB-CG 3.86Å; P31-M137 HydrophobicContact CB-SD 3.67Å | ||
| 32 | V | 94.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.8 | -174.3 | -178 | 0 | 0 | 0 | 0 | 109.9 | P30 E36 V38 L134 T135 V136 M137 | P30-V32 WeakPolarHBondContact O-CG2 3.42Å; P30-V32 PolarHBondContact O-N 3.36Å; V32-E36 HydrophobicContact CG1-CB 3.81Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.44Å; V32-V38 HydrophobicContact CG1-CB 4.41Å; V32-V38 HydrophobicContact CG2-CB 4.23Å; V32-V38 HydrophobicContact CG2-CG2 3.92Å; V32-L134 HydrophobicContact CG2-CD1 4.08Å; V32-T135 PolarHBondContact N-O 3.49Å; V32-V136 CarbonylContact O-C 3.6Å; V32-V136 WeakPolarHBondContact O-CA 3.45Å; V32-M137 PolarHBondContact O-N 3.47Å |
| 33 | V | 94.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 144 | 178.2 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | G35 E36 M137 P139 A325 | V33-G35 PolarHBondContact O-N 3.4Å; V33-E36 HydrophobicContact CB-CG 4.16Å; V33-E36 PolarHBondContact N-OE2 3.04Å; V33-E36 WeakPolarHBondContact O-CB 3.47Å; V33-E36 WeakPolarHBondContact O-CG 3.12Å; V33-E36 PolarHBondContact O-N 3.01Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V33-M137 WeakPolarHBondContact CA-O 3.25Å; V33-M137 HydrophobicContact CG2-CE 4.1Å; V33-P139 HydrophobicContact CG1-CG 4.4Å; V33-A325 HydrophobicContact CG1-CB 4.12Å; V33-A325 HydrophobicContact CG2-CB 3.82Å |
| 34 | V | 93.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135.6 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | E36 V102 I104 V136 M137 | V34-E36 VanDerWaalsContact C-N 3.31Å; V34-V102 WeakPolarHBondContact CA-O 3.36Å; V34-I104 HydrophobicContact CG2-CD1 4.49Å; V34-I104 HydrophobicContact CG2-CG1 3.56Å; V34-V136 HydrophobicContact CG2-CG1 3.68Å; V34-M137 WeakPolarHBondContact CG2-O 3.44Å; V34-M137 PolarHBondContact N-O 2.87Å |
| 35 | G | 92.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -15 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | V33 V102 | V33-G35 PolarHBondContact O-N 3.4Å; G35-V102 PolarHBondContact N-O 3.29Å |
| 36 | E | 93.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 161.9 | 173.5 | -63.9 | -175.2 | 149 | 0 | 0 | 111.7 | V32 V33 V34 E101 V102 | V32-E36 HydrophobicContact CG1-CB 3.81Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.44Å; V33-E36 HydrophobicContact CB-CG 4.16Å; V33-E36 PolarHBondContact N-OE2 3.04Å; V33-E36 WeakPolarHBondContact O-CB 3.47Å; V33-E36 WeakPolarHBondContact O-CG 3.12Å; V33-E36 PolarHBondContact O-N 3.01Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V34-E36 VanDerWaalsContact C-N 3.31Å; E36-E101 PolarHBondContact O-N 3.05Å; E36-V102 VanDerWaalsContact O-CG2 3.31Å; E36-V102 WeakPolarHBondContact O-CG2 3.48Å; E36-V102 PolarHBondContact O-N 2.86Å |
| 37 | T | 93.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 118.9 | 173.8 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | L99 | T37-L99 WeakPolarHBondContact CA-O 3.41Š|
| 38 | V | 94.4 | Very high | 90 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.9 | 175.5 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | L29 V32 L40 R98 L99 V102 L134 | L29-V38 HydrophobicContact CD1-CG2 3.8Å; V32-V38 HydrophobicContact CG1-CB 4.41Å; V32-V38 HydrophobicContact CG2-CB 4.23Å; V32-V38 HydrophobicContact CG2-CG2 3.92Å; V38-L40 HydrophobicContact CG2-CD2 4.47Å; V38-R98 WeakPolarHBondContact O-CA 3.49Å; V38-L99 HydrophobicContact CG1-CB 3.72Å; V38-L99 HydrophobicContact CG1-CD1 3.96Å; V38-L99 HydrophobicContact CG1-CG 4.28Å; V38-L99 PolarHBondContact N-O 2.71Å; V38-L99 PolarHBondContact O-N 3.42Å; V38-V102 HydrophobicContact CB-CG2 4.17Å; V38-V102 HydrophobicContact CG1-CG2 3.55Å; V38-L134 HydrophobicContact CB-CD1 4.45Å; V38-L134 HydrophobicContact CG1-CD1 4.17Å; V38-L134 HydrophobicContact CG1-CD2 4.14Å; V38-L134 HydrophobicContact CG2-CD1 3.98Å |
| 39 | T | 93.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.4 | 173.7 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | K41 V97 R98 | T39-K41 HydrophobicContact CG2-CG 4.27Å; T39-V97 CarbonylContact C-O 3.55Å; T39-V97 WeakPolarHBondContact CA-O 3.18Å; T39-R98 HydrophobicContact CG2-CG 4.07Å |
| 40 | L | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133.1 | 172 | -52.3 | -177.7 | 0 | 0 | 0 | 108.8 | L29 V38 W55 T96 V97 L99 Y110 V132 | L29-L40 HydrophobicContact CD1-CD2 3.32Å; V38-L40 HydrophobicContact CG2-CD2 4.47Å; L40-W55 HydrophobicContact CB-CE3 4.42Å; L40-W55 HydrophobicContact CB-CH2 3.55Å; L40-W55 HydrophobicContact CB-CZ2 4.2Å; L40-W55 HydrophobicContact CB-CZ3 3.69Å; L40-W55 HydrophobicContact CD1-CE3 4.02Å; L40-W55 HydrophobicContact CD1-CZ3 3.81Å; L40-W55 HydrophobicContact CG-CZ3 4.38Å; L40-T96 CarbonylContact O-C 3.51Å; L40-T96 WeakPolarHBondContact O-CA 3.34Å; L40-V97 PolarHBondContact N-O 2.81Å; L40-V97 PolarHBondContact O-N 2.96Å; L40-L99 HydrophobicContact CD1-CD1 4.11Å; L40-L99 HydrophobicContact CG-CD1 4.37Å; L40-Y110 HydrophobicContact CD1-CD1 3.71Å; L40-Y110 HydrophobicContact CD1-CE1 4.38Å; L40-Y110 HydrophobicContact CD1-CG 3.8Å; L40-V132 HydrophobicContact CD2-CG1 4.4Å |
| 41 | K | 92.4 | Very high | 88.6 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.1 | -178.4 | -64.3 | 172.7 | 178 | 174.8 | 0 | 110.9 | I26 E27 T39 T96 | I26-K41 WeakPolarHBondContact CG2-O 3.26Å; E27-K41 HydrophobicContact CB-CB 4.4Å; E27-K41 PolarHBondContact N-O 2.85Å; E27-K41 WeakPolarHBondContact OE2-CD 3.34Å; E27-K41 IonicContact OE2-NZ 3.63Å; E27-K41 PolarHBondContact OE2-NZ 3.22Å; T39-K41 HydrophobicContact CG2-CG 4.27Å; K41-T96 HydrophobicContact CB-CG2 4.48Å; K41-T96 HydrophobicContact CG-CG2 3.88Å |
| 42 | C | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.4 | 179 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | V24 I26 W55 Q94 S95 C112 | V24-C42 VanDerWaalsContact CG1-SG 3.55Å; I26-C42 HydrophobicContact CG1-CB 4.24Å; C42-W55 HydrophobicContact CB-CH2 3.63Å; C42-W55 HydrophobicContact CB-CZ2 3.24Å; C42-Q94 WeakPolarHBondContact O-CA 3.45Å; C42-S95 PolarHBondContact N-O 3.45Å; C42-S95 PolarHBondContact O-N 2.9Å; C42-C112 HydrophobicContact CB-CB 3.59Å; C42-C112 WeakPolarHBondContact CB-SG 3.19Å; C42-C112 WeakPolarHBondContact SG-CB 3.4Å; C42-C112 CovalentContact SG-SG 2.05Å; C42-C112 PolarHBondContact SG-SG 2.83Å |
| 43 | N | 90.8 | Very high | 88.1 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.4 | 179.1 | -65.8 | -28.4 | 0 | 0 | 0 | 109 | T25 V92 Y93 Q94 | T25-N43 PolarHBondContact N-O 2.83Å; T25-N43 PolarHBondContact O-N 3.01Å; T25-N43 PolarHBondContact OG1-O 3.04Å; N43-V92 HydrophobicContact CB-CG1 3.75Å; N43-Y93 CarbonylContact C-O 3.55Å; N43-Y93 VanDerWaalsContact CA-O 3.32Å; N43-Y93 WeakPolarHBondContact CA-O 3.24Å; N43-Q94 VanDerWaalsContact OD1-CG 3.31Å; N43-Q94 WeakPolarHBondContact OD1-CG 2.86Å |
| 44 | F | 88.8 | Confident | 88 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.9 | 179.2 | 64.4 | -85.4 | 0 | 0 | 0 | 112.3 | L22 T23 V24 T46 L50 I53 Y93 V114 | L22-F44 HydrophobicContact CD1-CD2 4.46Å; T23-F44 CarbonylContact O-C 3.55Å; T23-F44 WeakPolarHBondContact O-CA 3.42Å; T23-F44 WeakPolarHBondContact O-CB 3.3Å; V24-F44 HydrophobicContact CG2-CB 3.99Å; F44-T46 HydrophobicContact CD2-CG2 4.29Å; F44-T46 HydrophobicContact CE2-CG2 4.38Å; F44-L50 HydrophobicContact CE2-CD1 3.95Å; F44-L50 HydrophobicContact CZ-CD1 4.03Å; F44-L50 HydrophobicContact CZ-CD2 4.37Å; F44-I53 HydrophobicContact CE1-CD1 3.72Å; F44-I53 HydrophobicContact CZ-CD1 3.75Å; F44-Y93 HydrophobicContact CD2-CD2 4.22Å; F44-Y93 HydrophobicContact CD2-CG 4.45Å; F44-Y93 VanDerWaalsContact CE2-CB 3.45Å; F44-Y93 AromaticContact CE2-CD2 3.88Å; F44-Y93 HydrophobicContact CE2-CD2 3.88Å; F44-Y93 AromaticContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CZ-CG 4.04Å; F44-Y93 PolarHBondContact N-O 2.81Å; F44-Y93 PolarHBondContact O-N 2.81Å; F44-V114 HydrophobicContact CB-CG2 4.38Å; F44-V114 HydrophobicContact CD1-CG2 4.03Å; F44-V114 HydrophobicContact CD2-CG1 3.93Å; F44-V114 HydrophobicContact CE1-CG2 4.5Å; F44-V114 HydrophobicContact CE2-CG1 4.07Å; F44-V114 HydrophobicContact CG-CG1 4.2Å; F44-V114 HydrophobicContact CG-CG2 4.11Å; F44-V114 HydrophobicContact CZ-CG1 4.47Å |
| 45 | K | 86.3 | Confident | 88 | Confident | 75 Ų | 75 | 42.5 Ų | 42.5 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135 | 174 | -63.4 | -173.8 | 172.2 | -166.5 | 0 | 108.5 | Y21 T23 D90 V92 | Y21-K45 HydrophobicContact CE2-CB 4.19Å; T23-K45 PolarHBondContact N-O 3Å; T23-K45 PolarHBondContact O-N 3.2Å; K45-D90 IonicContact NZ-OD1 2.81Å; K45-D90 PolarHBondContact NZ-OD1 2.82Å; K45-V92 HydrophobicContact CD-CG2 4.22Å; K45-V92 HydrophobicContact CG-CG2 3.99Å |
| 46 | T | 80.7 | Confident | 88 | Confident | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 148.8 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | Y21 L22 F44 G48 Y93 I116 | Y21-T46 VanDerWaalsContact O-CA 3.29Å; Y21-T46 WeakPolarHBondContact O-CA 3.5Å; Y21-T46 PolarHBondContact O-OG1 2.98Å; L22-T46 HydrophobicContact CD1-CG2 4.45Å; F44-T46 HydrophobicContact CD2-CG2 4.29Å; F44-T46 HydrophobicContact CE2-CG2 4.38Å; T46-G48 PolarHBondContact OG1-N 2.85Å; T46-G48 VanDerWaalsContact OG1-N 3.09Å; T46-Y93 HydrophobicContact CG2-CD2 4.43Å; T46-Y93 HydrophobicContact CG2-CE2 4.34Å; T46-I116 HydrophobicContact CG2-CG2 4.09Å; T46-I116 VanDerWaalsContact OG1-CD1 3.28Å; T46-I116 WeakPolarHBondContact OG1-CD1 3.45Å |
| 47 | D | 76.4 | Confident | 88 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -96.1 | -7 | 168.3 | 63.8 | -21.5 | 0 | 0 | 0 | 113.6 | G20 Y21 | G20-D47 WeakPolarHBondContact CA-OD1 3.12Å; Y21-D47 HydrophobicContact CD1-CB 3.88Å; Y21-D47 VanDerWaalsContact CD1-CG 3.43Å; Y21-D47 HydrophobicContact CE1-CB 3.46Å; Y21-D47 VanDerWaalsContact CE1-CB 3.46Å; Y21-D47 PolarHBondContact N-OD1 3.22Å |
| 48 | G | 75.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -86.2 | 171 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T46 | T46-G48 PolarHBondContact OG1-N 2.85Å; T46-G48 VanDerWaalsContact OG1-N 3.09Å |
| 49 | R | 77.1 | Confident | 87.4 | Confident | 188 Ų | 188 | 38 Ų | 38 | 71% | 0.709 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.8 | 173.5 | -68.9 | -176.5 | 179 | -171.8 | -2.6 | 109.7 | R51 I116 Y117 | R49-R51 PolarHBondContact O-N 2.93Å; R49-I116 CarbonylContact O-C 3.55Å; R49-I116 WeakPolarHBondContact O-CA 3.02Å; R49-Y117 HydrophobicContact CB-CD2 4.25Å; R49-Y117 PolarHBondContact O-N 3.06Å |
| 50 | L | 81.2 | Confident | 86.5 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 129 | 177.1 | -173.2 | 67.3 | 0 | 0 | 0 | 111 | F44 I53 Y71 A73 V114 | F44-L50 HydrophobicContact CE2-CD1 3.95Å; F44-L50 HydrophobicContact CZ-CD1 4.03Å; F44-L50 HydrophobicContact CZ-CD2 4.37Å; L50-I53 HydrophobicContact CD1-CD1 4.17Å; L50-I53 HydrophobicContact CD1-CG1 3.85Å; L50-I53 HydrophobicContact CD2-CD1 3.9Å; L50-I53 HydrophobicContact CD2-CG1 4.24Å; L50-I53 HydrophobicContact CG-CG1 4.47Å; L50-Y71 HydrophobicContact CD2-CD1 4.16Å; L50-Y71 HydrophobicContact CD2-CE1 3.66Å; L50-Y71 HydrophobicContact CG-CE1 4.45Å; L50-A73 VanDerWaalsContact O-CB 3.27Å; L50-A73 WeakPolarHBondContact O-CB 3.49Å; L50-V114 HydrophobicContact CD1-CG1 3.81Å |
| 51 | R | 83.8 | Confident | 85.3 | Confident | 39 Ų | 39 | 46 Ų | 46 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -55.8 | 176.6 | 165.8 | 73.7 | -162.8 | 95.4 | 3 | 110.5 | R49 D72 A73 G115 Y117 V125 | R49-R51 PolarHBondContact O-N 2.93Å; R51-D72 IonicContact CZ-OD1 3.7Å; R51-D72 IonicContact CZ-OD2 3.38Å; R51-D72 IonicContact NH1-OD1 2.66Å; R51-D72 PolarHBondContact NH1-OD1 2.88Å; R51-D72 IonicContact NH1-OD2 3.02Å; R51-D72 PolarHBondContact NH1-OD2 3.48Å; R51-D72 IonicContact NH2-OD1 3.84Å; R51-D72 IonicContact NH2-OD2 2.85Å; R51-D72 PolarHBondContact NH2-OD2 2.9Å; R51-A73 WeakPolarHBondContact O-CB 3.36Å; R51-A73 PolarHBondContact O-N 3.02Å; R51-G115 WeakPolarHBondContact CB-O 3.44Å; R51-G115 PolarHBondContact N-O 3.09Å; R51-Y117 HydrophobicContact CB-CD2 3.98Å; R51-Y117 HydrophobicContact CB-CE2 3.88Å; R51-Y117 HydrophobicContact CB-CG 4.42Å; R51-Y117 WeakPolarHBondContact CD-OH 3.35Å; R51-Y117 HydrophobicContact CG-CE1 4.48Å; R51-Y117 HydrophobicContact CG-CE2 4.33Å; R51-V125 HydrophobicContact CG-CG2 4.44Å |
| 52 | E | 87.4 | Confident | 84.3 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.8 | -175.7 | 66 | 178 | -179.1 | 0 | 0 | 112.2 | Y71 G115 | E52-Y71 CarbonylContact C-O 3.3Å; E52-Y71 WeakPolarHBondContact CA-O 3.47Å; E52-Y71 WeakPolarHBondContact CB-O 3.24Å; E52-G115 PolarHBondContact N-O 3.23Å; E52-G115 PolarHBondContact O-N 2.99Å |
| 53 | I | 89.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.7 | 168 | -53.9 | 172.2 | 0 | 0 | 0 | 107.6 | F44 L50 T70 Y71 H113 V114 | F44-I53 HydrophobicContact CE1-CD1 3.72Å; F44-I53 HydrophobicContact CZ-CD1 3.75Å; L50-I53 HydrophobicContact CD1-CD1 4.17Å; L50-I53 HydrophobicContact CD1-CG1 3.85Å; L50-I53 HydrophobicContact CD2-CD1 3.9Å; L50-I53 HydrophobicContact CD2-CG1 4.24Å; L50-I53 HydrophobicContact CG-CG1 4.47Å; I53-T70 CarbonylContact O-C 3.6Å; I53-T70 WeakPolarHBondContact O-CA 3.43Å; I53-Y71 HydrophobicContact CD1-CD1 4.43Å; I53-Y71 HydrophobicContact CG1-CD1 4.38Å; I53-Y71 PolarHBondContact N-O 2.88Å; I53-Y71 PolarHBondContact O-N 2.87Å; I53-H113 CarbonylContact C-O 3.54Å; I53-H113 WeakPolarHBondContact CA-O 3.31Å; I53-V114 HydrophobicContact CG2-CG2 4.4Å |
| 54 | V | 91.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.6 | -179.3 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | Y56 K67 F69 T70 H113 | V54-Y56 HydrophobicContact CB-CD2 4.41Å; V54-Y56 HydrophobicContact CB-CE2 3.69Å; V54-Y56 HydrophobicContact CG1-CD1 4.46Å; V54-Y56 HydrophobicContact CG1-CD2 4.08Å; V54-Y56 HydrophobicContact CG1-CE1 3.94Å; V54-Y56 HydrophobicContact CG1-CE2 3.47Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.47Å; V54-K67 HydrophobicContact CG1-CD 4.05Å; V54-K67 HydrophobicContact CG1-CG 3.87Å; V54-F69 WeakPolarHBondContact CA-O 3.46Å; V54-T70 HydrophobicContact CG2-CG2 4.22Å; V54-H113 PolarHBondContact N-O 2.85Å; V54-H113 PolarHBondContact O-N 3.44Å |
| 55 | W | 93.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.5 | 169.1 | -75.3 | 83.8 | 0 | 0 | 0 | 109.8 | I26 L40 C42 I68 F69 S95 V97 E111 C112 | I26-W55 HydrophobicContact CD1-CH2 4.31Å; I26-W55 HydrophobicContact CD1-CZ3 4.21Å; L40-W55 HydrophobicContact CB-CE3 4.42Å; L40-W55 HydrophobicContact CB-CH2 3.55Å; L40-W55 HydrophobicContact CB-CZ2 4.2Å; L40-W55 HydrophobicContact CB-CZ3 3.69Å; L40-W55 HydrophobicContact CD1-CE3 4.02Å; L40-W55 HydrophobicContact CD1-CZ3 3.81Å; L40-W55 HydrophobicContact CG-CZ3 4.38Å; C42-W55 HydrophobicContact CB-CH2 3.63Å; C42-W55 HydrophobicContact CB-CZ2 3.24Å; W55-I68 HydrophobicContact CB-CD1 3.94Å; W55-I68 HydrophobicContact CB-CG1 3.53Å; W55-I68 WeakPolarHBondContact O-CG1 3.35Å; W55-I68 PolarHBondContact O-N 3.41Å; W55-F69 HydrophobicContact CB-CB 4.13Å; W55-F69 AromaticContact CD1-CD1 3.9Å; W55-F69 PolarHBondContact N-O 3.5Å; W55-S95 PolarHBondContact NE1-OG 2.86Å; W55-S95 VanDerWaalsContact NE1-OG 3.1Å; W55-V97 HydrophobicContact CB-CG2 4.21Å; W55-V97 HydrophobicContact CD2-CB 4.48Å; W55-V97 HydrophobicContact CD2-CG2 3.94Å; W55-V97 HydrophobicContact CG-CB 4.48Å; W55-V97 HydrophobicContact CG-CG2 3.56Å; W55-E111 WeakPolarHBondContact CA-O 3.29Å; W55-C112 HydrophobicContact CD2-CB 4.06Å; W55-C112 HydrophobicContact CE3-CB 3.99Å; W55-C112 HydrophobicContact CH2-CB 3.92Å; W55-C112 HydrophobicContact CZ2-CB 3.99Å; W55-C112 HydrophobicContact CZ3-CB 3.9Å |
| 56 | Y | 92.9 | Very high | 83.3 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.4 | 176.4 | -63.4 | -84.5 | 0 | 0 | 0 | 110.3 | V54 K65 Q66 K67 Y110 E111 H113 | V54-Y56 HydrophobicContact CB-CD2 4.41Å; V54-Y56 HydrophobicContact CB-CE2 3.69Å; V54-Y56 HydrophobicContact CG1-CD1 4.46Å; V54-Y56 HydrophobicContact CG1-CD2 4.08Å; V54-Y56 HydrophobicContact CG1-CE1 3.94Å; V54-Y56 HydrophobicContact CG1-CE2 3.47Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.47Å; Y56-K65 HydrophobicContact CD1-CB 3.65Å; Y56-K65 HydrophobicContact CE1-CB 4.29Å; Y56-K65 HydrophobicContact CG-CB 4.11Å; Y56-Q66 CarbonylContact C-O 3.44Å; Y56-Q66 VanDerWaalsContact CA-O 3.29Å; Y56-Q66 WeakPolarHBondContact CA-O 2.96Å; Y56-K67 HydrophobicContact CD1-CG 3.75Å; Y56-K67 HydrophobicContact CE1-CB 4.44Å; Y56-K67 HydrophobicContact CE1-CD 4.11Å; Y56-K67 HydrophobicContact CE1-CG 3.27Å; Y56-K67 VanDerWaalsContact OH-CE 3.3Å; Y56-K67 WeakPolarHBondContact OH-CE 3.31Å; Y56-Y110 CarbonylContact O-C 3.58Å; Y56-Y110 WeakPolarHBondContact O-CA 3.46Å; Y56-E111 PolarHBondContact N-O 3.12Å; Y56-E111 PolarHBondContact O-N 2.79Å; Y56-H113 HydrophobicContact CD2-CB 4.39Å; Y56-H113 AromaticContact CD2-CD2 3.8Å; Y56-H113 AromaticContact CD2-CG 3.82Å; Y56-H113 AromaticContact CD2-ND1 3.96Å; Y56-H113 AromaticContact CD2-NE2 3.92Å; Y56-H113 HydrophobicContact CE2-CB 3.98Å; Y56-H113 AromaticContact CE2-CE1 3.91Å; Y56-H113 AromaticContact CE2-CG 3.62Å; Y56-H113 AromaticContact CE2-ND1 3.5Å |
| 57 | R | 92.9 | Very high | 83.9 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128 | 156.9 | 174.6 | -178.6 | 171.5 | 155.4 | 2.6 | 107.6 | T59 Q66 I68 S105 D106 Y110 | R57-T59 HydrophobicContact CG-CG2 4.3Å; R57-Q66 HydrophobicContact CB-CB 4.47Å; R57-Q66 PolarHBondContact N-O 3.19Å; R57-Q66 PolarHBondContact O-N 3.15Å; R57-I68 HydrophobicContact CB-CG2 3.78Å; R57-S105 PolarHBondContact NH2-O 3.23Å; R57-D106 IonicContact CZ-OD1 3.81Å; R57-D106 IonicContact NH1-OD1 2.75Å; R57-D106 PolarHBondContact NH1-OD1 3.13Å; R57-Y110 HydrophobicContact CB-CD1 4.16Å; R57-Y110 HydrophobicContact CB-CE1 3.84Å; R57-Y110 HydrophobicContact CG-CE1 4.03Å |
| 58 | V | 90.8 | Very high | 84.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.4 | -177.5 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | G62 I64 K65 P109 E111 | V58-G62 VanDerWaalsContact CG1-CA 3.49Å; V58-I64 WeakPolarHBondContact CA-O 3.4Å; V58-K65 HydrophobicContact CG2-CG 4.32Å; V58-P109 HydrophobicContact CB-CB 4.27Å; V58-P109 HydrophobicContact CB-CG 3.98Å; V58-P109 WeakPolarHBondContact CB-O 3.42Å; V58-P109 HydrophobicContact CG1-CG 4.28Å; V58-P109 PolarHBondContact N-O 2.86Å; V58-E111 HydrophobicContact CG2-CB 4.31Å; V58-E111 HydrophobicContact CG2-CG 3.71Å |
| 59 | T | 85.1 | Confident | 85.3 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 171.9 | 178.8 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | R57 G61 G62 T63 I64 | R57-T59 HydrophobicContact CG-CG2 4.3Å; T59-G61 PolarHBondContact O-N 3.46Å; T59-G62 PolarHBondContact O-N 3.08Å; T59-T63 PolarHBondContact O-N 2.8Å; T59-I64 PolarHBondContact N-O 3.02Å; T59-I64 PolarHBondContact O-N 3.19Å; T59-I64 WeakPolarHBondContact OG1-CB 3.28Å |
| 60 | D | 74.6 | Confident | 85.9 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | 51 | 60.7 | 175.1 | -61 | -13 | 0 | 0 | 0 | 114.5 | G62 T63 I64 | D60-G62 PolarHBondContact O-N 3.01Å; D60-T63 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-OG1 3.02Å; D60-I64 HydrophobicContact CB-CD1 4.23Å; D60-I64 HydrophobicContact CB-CG1 4.18Å; D60-I64 WeakPolarHBondContact OD2-CD1 3.44Å |
| 61 | G | 68.1 | Low | 86.2 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 96% | 0.959 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | 64.3 | 15.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T59 | T59-G61 PolarHBondContact O-N 3.46Š|
| 62 | G | 71 | Confident | 86.2 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | 109.2 | -6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V58 T59 D60 | V58-G62 VanDerWaalsContact CG1-CA 3.49Å; T59-G62 PolarHBondContact O-N 3.08Å; D60-G62 PolarHBondContact O-N 3.01Å |
| 63 | T | 75.2 | Confident | 85.7 | Confident | 117 Ų | 117 | 60 Ų | 60 | 72% | 0.718 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -33.3 | -168.8 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | T59 D60 | T59-T63 PolarHBondContact O-N 2.8Å; D60-T63 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-OG1 3.02Å |
| 64 | I | 82.8 | Confident | 84.8 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.1 | -178.5 | -57.3 | -172.3 | 0 | 0 | 0 | 109.5 | V58 T59 D60 | V58-I64 WeakPolarHBondContact CA-O 3.4Å; T59-I64 PolarHBondContact N-O 3.02Å; T59-I64 PolarHBondContact O-N 3.19Å; T59-I64 WeakPolarHBondContact OG1-CB 3.28Å; D60-I64 HydrophobicContact CB-CD1 4.23Å; D60-I64 HydrophobicContact CB-CG1 4.18Å; D60-I64 WeakPolarHBondContact OD2-CD1 3.44Å |
| 65 | K | 89.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111.7 | 177.6 | -58 | -168.1 | -178.1 | -167.8 | 0 | 109.9 | Y56 V58 E111 | Y56-K65 HydrophobicContact CD1-CB 3.65Å; Y56-K65 HydrophobicContact CE1-CB 4.29Å; Y56-K65 HydrophobicContact CG-CB 4.11Å; V58-K65 HydrophobicContact CG2-CG 4.32Å; K65-E111 WeakPolarHBondContact CE-OE2 3.45Å; K65-E111 IonicContact NZ-OE1 3.51Å; K65-E111 IonicContact NZ-OE2 2.7Å; K65-E111 PolarHBondContact NZ-OE2 2.85Å |
| 66 | Q | 90.4 | Very high | 82 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122 | 175.1 | -177.9 | 179 | -8.6 | 0 | 0 | 109.8 | Y56 R57 I68 | Y56-Q66 CarbonylContact C-O 3.44Å; Y56-Q66 VanDerWaalsContact CA-O 3.29Å; Y56-Q66 WeakPolarHBondContact CA-O 2.96Å; R57-Q66 HydrophobicContact CB-CB 4.47Å; R57-Q66 PolarHBondContact N-O 3.19Å; R57-Q66 PolarHBondContact O-N 3.15Å; Q66-I68 PolarHBondContact O-N 3.11Å |
| 67 | K | 91.4 | Very high | 80.1 | Confident | 125 Ų | 125 | 80.2 Ų | 80.2 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.6 | 174.6 | -68.8 | -176.7 | -178.6 | -173.1 | 0 | 109.9 | V54 Y56 | V54-K67 HydrophobicContact CG1-CD 4.05Å; V54-K67 HydrophobicContact CG1-CG 3.87Å; Y56-K67 HydrophobicContact CD1-CG 3.75Å; Y56-K67 HydrophobicContact CE1-CB 4.44Å; Y56-K67 HydrophobicContact CE1-CD 4.11Å; Y56-K67 HydrophobicContact CE1-CG 3.27Å; Y56-K67 VanDerWaalsContact OH-CE 3.3Å; Y56-K67 WeakPolarHBondContact OH-CE 3.31Å |
| 68 | I | 91.7 | Very high | 78 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 29% | 0.292 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -25.7 | 177 | 61.2 | 172.4 | 0 | 0 | 0 | 112.6 | W55 R57 Q66 V97 Y110 | W55-I68 HydrophobicContact CB-CD1 3.94Å; W55-I68 HydrophobicContact CB-CG1 3.53Å; W55-I68 WeakPolarHBondContact O-CG1 3.35Å; W55-I68 PolarHBondContact O-N 3.41Å; R57-I68 HydrophobicContact CB-CG2 3.78Å; Q66-I68 PolarHBondContact O-N 3.11Å; I68-V97 HydrophobicContact CD1-CG1 4.31Å; I68-Y110 HydrophobicContact CD1-CD1 3.72Å; I68-Y110 HydrophobicContact CD1-CE1 3.87Å |
| 69 | F | 91.1 | Very high | 76 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 146.9 | 175.4 | 177.5 | -93.2 | 0 | 0 | 0 | 110 | V54 W55 V97 | V54-F69 WeakPolarHBondContact CA-O 3.46Å; W55-F69 HydrophobicContact CB-CB 4.13Å; W55-F69 AromaticContact CD1-CD1 3.9Å; W55-F69 PolarHBondContact N-O 3.5Å; F69-V97 HydrophobicContact CB-CG2 3.75Å; F69-V97 HydrophobicContact CD1-CG2 4.16Å; F69-V97 HydrophobicContact CG-CG2 3.92Å |
| 70 | T | 89.8 | Confident | 74.1 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 128.2 | 175.4 | -60.3 | 0 | 0 | 0 | 0 | 109.2 | I53 V54 | I53-T70 CarbonylContact O-C 3.6Å; I53-T70 WeakPolarHBondContact O-CA 3.43Å; V54-T70 HydrophobicContact CG2-CG2 4.22Å |
| 71 | Y | 86.7 | Confident | 72.8 | Confident | 63 Ų | 63 | 96 Ų | 96 | 25% | 0.247 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 168.9 | 172.7 | -87.4 | 0 | 0 | 0 | 108.1 | L50 E52 I53 A73 N76 | L50-Y71 HydrophobicContact CD2-CD1 4.16Å; L50-Y71 HydrophobicContact CD2-CE1 3.66Å; L50-Y71 HydrophobicContact CG-CE1 4.45Å; E52-Y71 CarbonylContact C-O 3.3Å; E52-Y71 WeakPolarHBondContact CA-O 3.47Å; E52-Y71 WeakPolarHBondContact CB-O 3.24Å; I53-Y71 HydrophobicContact CD1-CD1 4.43Å; I53-Y71 HydrophobicContact CG1-CD1 4.38Å; I53-Y71 PolarHBondContact N-O 2.88Å; I53-Y71 PolarHBondContact O-N 2.87Å; Y71-A73 HydrophobicContact CE1-CB 4.11Å; Y71-N76 HydrophobicContact CE2-CB 4.08Å; Y71-N76 WeakPolarHBondContact CE2-ND2 3.5Å |
| 72 | D | 83.1 | Confident | 71.9 | Confident | 31 Ų | 31 | 94.2 Ų | 94.2 | 17% | 0.166 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.5 | 175.6 | -174.1 | -40.7 | 0 | 0 | 0 | 109 | R51 M74 F75 N76 | R51-D72 IonicContact CZ-OD1 3.7Å; R51-D72 IonicContact CZ-OD2 3.38Å; R51-D72 IonicContact NH1-OD1 2.66Å; R51-D72 PolarHBondContact NH1-OD1 2.88Å; R51-D72 IonicContact NH1-OD2 3.02Å; R51-D72 PolarHBondContact NH1-OD2 3.48Å; R51-D72 IonicContact NH2-OD1 3.84Å; R51-D72 IonicContact NH2-OD2 2.85Å; R51-D72 PolarHBondContact NH2-OD2 2.9Å; D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 WeakPolarHBondContact OD1-CB 3.44Å; D72-M74 PolarHBondContact OD1-N 2.95Å; D72-F75 HydrophobicContact CB-CD2 3.98Å; D72-F75 VanDerWaalsContact CG-CD2 3.45Å; D72-F75 PolarHBondContact O-N 2.91Å; D72-N76 WeakPolarHBondContact O-CB 3.4Å; D72-N76 PolarHBondContact O-N 2.93Å |
| 73 | A | 77.9 | Confident | 70.9 | Confident | 33 Ų | 33 | 101.1 Ų | 101.1 | 27% | 0.273 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L50 R51 Y71 | L50-A73 VanDerWaalsContact O-CB 3.27Å; L50-A73 WeakPolarHBondContact O-CB 3.49Å; R51-A73 WeakPolarHBondContact O-CB 3.36Å; R51-A73 PolarHBondContact O-N 3.02Å; Y71-A73 HydrophobicContact CE1-CB 4.11Å |
| 74 | M | 71.3 | Confident | 69.5 | Low | 109 Ų | 109 | 101 Ų | 101 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.7 | 177.2 | -67.9 | -159.9 | -75.4 | 0 | 0 | 112.7 | D72 Y117 | D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 WeakPolarHBondContact OD1-CB 3.44Å; D72-M74 PolarHBondContact OD1-N 2.95Å; M74-Y117 PolarHBondContact SD-OH 2.8Å |
| 75 | F | 66.1 | Low | 67.9 | Low | 163 Ų | 163 | 102.9 Ų | 102.9 | 72% | 0.715 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -16 | -175.8 | -61.3 | -74.4 | 0 | 0 | 0 | 113.5 | D72 | D72-F75 HydrophobicContact CB-CD2 3.98Å; D72-F75 VanDerWaalsContact CG-CD2 3.45Å; D72-F75 PolarHBondContact O-N 2.91Å |
| 76 | N | 60.2 | Low | 66.1 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 36% | 0.358 | 53% | 0.527 | S | S | . | . | trans | -95.5 | 102.3 | 178.4 | -160.7 | -4.2 | 0 | 0 | 0 | 111.2 | Y71 D72 N78 | Y71-N76 HydrophobicContact CE2-CB 4.08Å; Y71-N76 WeakPolarHBondContact CE2-ND2 3.5Å; D72-N76 WeakPolarHBondContact O-CB 3.4Å; D72-N76 PolarHBondContact O-N 2.93Å; N76-N78 VanDerWaalsContact C-N 3.35Å; N76-N78 PolarHBondContact OD1-N 2.94Å | ||
| 77 | T | 52.5 | Low | 64.4 | Low | 132 Ų | 132 | 114.2 Ų | 114.2 | 81% | 0.81 | 54% | 0.54 | S | S | * | . | trans | -85.5 | -3.1 | -178.8 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | Y79 | T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 3.31Å | ||
| 78 | N | 48.8 | Very low | 62.7 | Low | 118 Ų | 118 | 117.5 Ų | 117.5 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | trans | -83 | 77.4 | -179.5 | -157.6 | -1 | 0 | 0 | 0 | 110.8 | N76 S80 | N76-N78 VanDerWaalsContact C-N 3.35Å; N76-N78 PolarHBondContact OD1-N 2.94Å; N78-S80 PolarHBondContact O-N 2.8Å | ||
| 79 | Y | 49.1 | Very low | 60.9 | Low | 153 Ų | 153 | 123.1 Ų | 123.1 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | trans | -77.4 | 37.4 | -177.9 | -128.9 | -92.2 | 0 | 0 | 0 | 112.7 | T77 M82 | T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 3.31Å; Y79-M82 HydrophobicContact CD1-CB 4.31Å; Y79-M82 HydrophobicContact CE1-CB 4.2Å; Y79-M82 HydrophobicContact CE1-SD 4.17Å | ||
| 80 | S | 45.1 | Very low | 59.2 | Low | 88 Ų | 88 | 125.1 Ų | 125.1 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 6.8 | -171.1 | 74.3 | 0 | 0 | 0 | 0 | 114.9 | N78 | N78-S80 PolarHBondContact O-N 2.8Š|
| 81 | H | 47 | Very low | 58 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 85% | 0.852 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 31 | -177.9 | -140 | -74.8 | 0 | 0 | 0 | 113.3 | ||
| 82 | M | 50.1 | Low | 57.4 | Low | 56 Ų | 56 | 126 Ų | 126 | 28% | 0.276 | 60% | 0.598 | S | S | . | * | trans | -134.7 | 39.1 | 175.9 | -141.5 | 177.9 | -172.7 | 0 | 0 | 111.6 | Y79 D84 Y85 Y93 | Y79-M82 HydrophobicContact CD1-CB 4.31Å; Y79-M82 HydrophobicContact CE1-CB 4.2Å; Y79-M82 HydrophobicContact CE1-SD 4.17Å; M82-D84 PolarHBondContact O-N 2.83Å; M82-Y85 HydrophobicContact CB-CE2 4.43Å; M82-Y85 HydrophobicContact CE-CE2 4.4Å; M82-Y85 WeakPolarHBondContact CE-OH 3.23Å; M82-Y85 HydrophobicContact CG-CE2 3.9Å; M82-Y85 HydrophobicContact SD-CE2 3.88Å; M82-Y85 PolarHBondContact SD-OH 3.49Å; M82-Y93 HydrophobicContact CE-CE1 3.76Å; M82-Y93 VanDerWaalsContact CE-OH 3.23Å; M82-Y93 WeakPolarHBondContact CE-OH 3.17Å | ||
| 83 | E | 48.6 | Very low | 57.3 | Low | 184 Ų | 184 | 127.8 Ų | 127.8 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | trans | -83.6 | 86 | 162 | -79.2 | 176.4 | 156.5 | 0 | 0 | 108.8 | ||||
| 84 | D | 47.4 | Very low | 57.7 | Low | 114 Ų | 114 | 131.7 Ų | 131.7 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | trans | 177.4 | 74 | 137.6 | -103.4 | -25.3 | 0 | 0 | 0 | 111.4 | M82 R86 | M82-D84 PolarHBondContact O-N 2.83Å; D84-R86 PolarHBondContact O-N 3.15Å | ||
| 85 | Y | 49.4 | Very low | 58.5 | Low | 124 Ų | 124 | 127 Ų | 127 | 49% | 0.486 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | 9.2 | 175.5 | -89.1 | -86.2 | 0 | 0 | 0 | 114.4 | M82 | M82-Y85 HydrophobicContact CB-CE2 4.43Å; M82-Y85 HydrophobicContact CE-CE2 4.4Å; M82-Y85 WeakPolarHBondContact CE-OH 3.23Å; M82-Y85 HydrophobicContact CG-CE2 3.9Å; M82-Y85 HydrophobicContact SD-CE2 3.88Å; M82-Y85 PolarHBondContact SD-OH 3.49Å |
| 86 | R | 51 | Low | 59.6 | Low | 233 Ų | 233 | 122.5 Ų | 122.5 | 88% | 0.879 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 5.2 | -169.8 | -75 | -154.1 | 175 | 168 | 1 | 117.3 | D84 | D84-R86 PolarHBondContact O-N 3.15Š|
| 87 | R | 53 | Low | 61.1 | Low | 209 Ų | 209 | 119.9 Ų | 119.9 | 79% | 0.789 | 57% | 0.565 | S | S | * | * | trans | -137.3 | 88 | 169 | -71.2 | -175.9 | -175.9 | 160.2 | 1.7 | 110.5 | E89 L91 | R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 PolarHBondContact O-N 2.85Å; R87-L91 WeakPolarHBondContact O-CD1 3.5Å | ||
| 88 | R | 57.4 | Low | 63 | Low | 193 Ų | 193 | 122.2 Ų | 122.2 | 73% | 0.728 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 5.4 | -168.7 | -78.9 | -169.7 | -166.3 | -170.4 | 4.6 | 116 | ||
| 89 | E | 53.9 | Low | 65.1 | Low | 175 Ų | 175 | 118.1 Ų | 118.1 | 82% | 0.818 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -5.7 | -169.7 | -80.1 | 139.4 | -172 | 0 | 0 | 115.8 | R87 | R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 PolarHBondContact O-N 2.85Å |
| 90 | D | 55.3 | Low | 67.2 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 68% | 0.684 | 54% | 0.536 | S | S | * | . | trans | -154.8 | 23.2 | 179.8 | -90.5 | -42.5 | 0 | 0 | 0 | 117.1 | K45 V92 | K45-D90 IonicContact NZ-OD1 2.81Å; K45-D90 PolarHBondContact NZ-OD1 2.82Å; D90-V92 PolarHBondContact O-N 2.81Å; D90-V92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | L | 64.8 | Low | 69.5 | Low | 78 Ų | 78 | 117.4 Ų | 117.4 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | trans | -74.1 | 105.3 | 177.6 | -75.7 | 155.2 | 0 | 0 | 0 | 111.1 | R87 | R87-L91 WeakPolarHBondContact O-CD1 3.5Š| ||
| 92 | V | 73.3 | Confident | 71.7 | Confident | 75 Ų | 75 | 108.7 Ų | 108.7 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | trans | -87.2 | 114.7 | 167.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | N43 K45 D90 | N43-V92 HydrophobicContact CB-CG1 3.75Å; K45-V92 HydrophobicContact CD-CG2 4.22Å; K45-V92 HydrophobicContact CG-CG2 3.99Å; D90-V92 PolarHBondContact O-N 2.81Å; D90-V92 VanDerWaalsContact O-N 3.1Å | ||
| 93 | Y | 81.6 | Confident | 73.8 | Confident | 68 Ų | 68 | 113.9 Ų | 113.9 | 27% | 0.267 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 145.4 | 171.6 | -61.5 | -79.4 | 0 | 0 | 0 | 110 | N43 F44 T46 M82 | N43-Y93 CarbonylContact C-O 3.55Å; N43-Y93 VanDerWaalsContact CA-O 3.32Å; N43-Y93 WeakPolarHBondContact CA-O 3.24Å; F44-Y93 HydrophobicContact CD2-CD2 4.22Å; F44-Y93 HydrophobicContact CD2-CG 4.45Å; F44-Y93 VanDerWaalsContact CE2-CB 3.45Å; F44-Y93 AromaticContact CE2-CD2 3.88Å; F44-Y93 HydrophobicContact CE2-CD2 3.88Å; F44-Y93 AromaticContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CZ-CG 4.04Å; F44-Y93 PolarHBondContact N-O 2.81Å; F44-Y93 PolarHBondContact O-N 2.81Å; T46-Y93 HydrophobicContact CG2-CD2 4.43Å; T46-Y93 HydrophobicContact CG2-CE2 4.34Å; M82-Y93 HydrophobicContact CE-CE1 3.76Å; M82-Y93 VanDerWaalsContact CE-OH 3.23Å; M82-Y93 WeakPolarHBondContact CE-OH 3.17Å |
| 94 | Q | 86.3 | Confident | 75.8 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.9 | -177.4 | -176.2 | 175.2 | -19.1 | 0 | 0 | 110.9 | C42 N43 T96 | C42-Q94 WeakPolarHBondContact O-CA 3.45Å; N43-Q94 VanDerWaalsContact OD1-CG 3.31Å; N43-Q94 WeakPolarHBondContact OD1-CG 2.86Å; Q94-T96 HydrophobicContact CG-CG2 3.86Å; Q94-T96 VanDerWaalsContact NE2-CG2 3.29Å |
| 95 | S | 87.8 | Confident | 77.8 | Confident | 11 Ų | 11 | 104.7 Ų | 104.7 | 8% | 0.077 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.7 | 167.7 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | C42 W55 | C42-S95 PolarHBondContact N-O 3.45Å; C42-S95 PolarHBondContact O-N 2.9Å; W55-S95 PolarHBondContact NE1-OG 2.86Å; W55-S95 VanDerWaalsContact NE1-OG 3.1Å |
| 96 | T | 89.9 | Confident | 79.8 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.4 | 179.3 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | L40 K41 Q94 | L40-T96 CarbonylContact O-C 3.51Å; L40-T96 WeakPolarHBondContact O-CA 3.34Å; K41-T96 HydrophobicContact CB-CG2 4.48Å; K41-T96 HydrophobicContact CG-CG2 3.88Å; Q94-T96 HydrophobicContact CG-CG2 3.86Å; Q94-T96 VanDerWaalsContact NE2-CG2 3.29Å |
| 97 | V | 91.5 | Very high | 81.8 | Confident | 12 Ų | 12 | 91.3 Ų | 91.3 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.9 | 172.5 | 172 | 0 | 0 | 0 | 0 | 109.1 | T39 L40 W55 I68 F69 L99 | T39-V97 CarbonylContact C-O 3.55Å; T39-V97 WeakPolarHBondContact CA-O 3.18Å; L40-V97 PolarHBondContact N-O 2.81Å; L40-V97 PolarHBondContact O-N 2.96Å; W55-V97 HydrophobicContact CB-CG2 4.21Å; W55-V97 HydrophobicContact CD2-CB 4.48Å; W55-V97 HydrophobicContact CD2-CG2 3.94Å; W55-V97 HydrophobicContact CG-CB 4.48Å; W55-V97 HydrophobicContact CG-CG2 3.56Å; I68-V97 HydrophobicContact CD1-CG1 4.31Å; F69-V97 HydrophobicContact CB-CG2 3.75Å; F69-V97 HydrophobicContact CD1-CG2 4.16Å; F69-V97 HydrophobicContact CG-CG2 3.92Å; V97-L99 HydrophobicContact CG1-CD2 4.24Å; V97-L99 HydrophobicContact CG1-CG 4.48Å |
| 98 | R | 92.1 | Very high | 83.6 | Confident | 182 Ų | 182 | 81.8 Ų | 81.8 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.2 | 177.2 | -58.6 | -179.9 | 78.6 | 136 | 0.8 | 108.8 | V38 T39 P100 | V38-R98 WeakPolarHBondContact O-CA 3.49Å; T39-R98 HydrophobicContact CG2-CG 4.07Å; R98-P100 WeakPolarHBondContact O-CD 3.31Å |
| 99 | L | 92.6 | Very high | 85.3 | Confident | 32 Ų | 32 | 75 Ų | 75 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 99.9 | 173.9 | -60.6 | 172.1 | 0 | 0 | 0 | 107.5 | T37 V38 L40 V97 V102 Y110 L134 | T37-L99 WeakPolarHBondContact CA-O 3.41Å; V38-L99 HydrophobicContact CG1-CB 3.72Å; V38-L99 HydrophobicContact CG1-CD1 3.96Å; V38-L99 HydrophobicContact CG1-CG 4.28Å; V38-L99 PolarHBondContact N-O 2.71Å; V38-L99 PolarHBondContact O-N 3.42Å; L40-L99 HydrophobicContact CD1-CD1 4.11Å; L40-L99 HydrophobicContact CG-CD1 4.37Å; V97-L99 HydrophobicContact CG1-CD2 4.24Å; V97-L99 HydrophobicContact CG1-CG 4.48Å; L99-V102 HydrophobicContact CB-CG2 4.33Å; L99-Y110 HydrophobicContact CD1-CE1 3.94Å; L99-L134 HydrophobicContact CD1-CD2 4.32Å |
| 100 | P | 93.2 | Very high | 87.2 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | trans | -74.4 | 151.7 | 176.6 | 31.7 | -33.9 | 0 | 0 | 0 | 111 | R98 V102 | R98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-V102 PolarHBondContact O-N 3.07Å | ||
| 101 | E | 92.8 | Very high | 89 | Confident | 136 Ų | 136 | 62.2 Ų | 62.2 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 49.9 | 56.1 | 172.8 | -62.2 | 179.3 | -164.3 | 0 | 0 | 113.8 | E36 R103 | E36-E101 PolarHBondContact O-N 3.05Å; E101-R103 PolarHBondContact O-N 3.46Å |
| 102 | V | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -57.7 | 132.5 | -175.2 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | V34 G35 E36 V38 L99 P100 D106 L134 V136 | V34-V102 WeakPolarHBondContact CA-O 3.36Å; G35-V102 PolarHBondContact N-O 3.29Å; E36-V102 VanDerWaalsContact O-CG2 3.31Å; E36-V102 WeakPolarHBondContact O-CG2 3.48Å; E36-V102 PolarHBondContact O-N 2.86Å; V38-V102 HydrophobicContact CB-CG2 4.17Å; V38-V102 HydrophobicContact CG1-CG2 3.55Å; L99-V102 HydrophobicContact CB-CG2 4.33Å; P100-V102 PolarHBondContact O-N 3.07Å; V102-D106 HydrophobicContact CG1-CB 4.08Å; V102-L134 HydrophobicContact CG1-CD2 4.31Å; V102-V136 HydrophobicContact CG1-CB 4.32Å; V102-V136 HydrophobicContact CG1-CG1 3.87Å; V102-V136 HydrophobicContact CG1-CG2 3.44Å; V102-V136 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 103 | R | 93.1 | Very high | 91.3 | Very high | 165 Ų | 165 | 56.8 Ų | 56.8 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | trans | -103.2 | 162.1 | 178.4 | -61.7 | -177 | 179.1 | -175.5 | -0.8 | 111.6 | E101 S105 D106 | E101-R103 PolarHBondContact O-N 3.46Å; R103-S105 WeakPolarHBondContact CB-OG 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.14Å; R103-D106 PolarHBondContact N-OD2 3.05Å; R103-D106 WeakPolarHBondContact O-CB 3.47Å; R103-D106 PolarHBondContact O-N 2.58Å | ||
| 104 | I | 91.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.9 | 174.5 | -56.8 | 175.9 | 0 | 0 | 0 | 111.3 | V34 D106 N107 K172 D294 | V34-I104 HydrophobicContact CG2-CD1 4.49Å; V34-I104 HydrophobicContact CG2-CG1 3.56Å; I104-D106 VanDerWaalsContact C-N 3.25Å; I104-D106 PolarHBondContact O-N 3.46Å; I104-N107 VanDerWaalsContact O-CB 3.28Å; I104-N107 WeakPolarHBondContact O-CB 3.37Å; I104-N107 PolarHBondContact O-N 3.39Å; I104-K172 HydrophobicContact CG2-CD 3.68Å; I104-D294 VanDerWaalsContact CG2-O 3.24Å; I104-D294 WeakPolarHBondContact CG2-O 3.46Å |
| 105 | S | 90.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -64.3 | -25.6 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | R57 R103 N107 | R57-S105 PolarHBondContact NH2-O 3.23Å; R103-S105 WeakPolarHBondContact CB-OG 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.14Å; S105-N107 PolarHBondContact O-N 2.76Å |
| 106 | D | 91.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -79.7 | -4.9 | -175.5 | -59.3 | -30.9 | 0 | 0 | 0 | 113 | R57 V102 R103 I104 G108 Y110 | R57-D106 IonicContact CZ-OD1 3.81Å; R57-D106 IonicContact NH1-OD1 2.75Å; R57-D106 PolarHBondContact NH1-OD1 3.13Å; V102-D106 HydrophobicContact CG1-CB 4.08Å; R103-D106 PolarHBondContact N-OD2 3.05Å; R103-D106 WeakPolarHBondContact O-CB 3.47Å; R103-D106 PolarHBondContact O-N 2.58Å; I104-D106 VanDerWaalsContact C-N 3.25Å; I104-D106 PolarHBondContact O-N 3.46Å; D106-G108 PolarHBondContact O-N 2.87Å; D106-Y110 WeakPolarHBondContact O-CE2 3.33Å; D106-Y110 PolarHBondContact O-OH 3.22Å |
| 107 | N | 91.3 | Very high | 91.3 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | trans | -60.9 | 119.8 | 173.4 | -177.9 | 108.1 | 0 | 0 | 0 | 111 | I104 S105 L134 V136 | I104-N107 VanDerWaalsContact O-CB 3.28Å; I104-N107 WeakPolarHBondContact O-CB 3.37Å; I104-N107 PolarHBondContact O-N 3.39Å; S105-N107 PolarHBondContact O-N 2.76Å; N107-L134 WeakPolarHBondContact CA-O 3.32Å; N107-L134 PolarHBondContact OD1-O 3.4Å; N107-V136 HydrophobicContact CB-CB 4.16Å; N107-V136 HydrophobicContact CB-CG2 4.05Å; N107-V136 PolarHBondContact OD1-N 2.77Å; N107-V136 VanDerWaalsContact OD1-N 3.09Å | ||
| 108 | G | 91.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | -174.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D106 Y110 L134 | D106-G108 PolarHBondContact O-N 2.87Å; G108-Y110 WeakPolarHBondContact O-CD2 3.39Å; G108-L134 PolarHBondContact N-O 2.91Å; G108-L134 PolarHBondContact O-N 3.34Å |
| 109 | P | 93.6 | Very high | 89.2 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.2 | 178.4 | 22.9 | -20.6 | 0 | 0 | 0 | 112.6 | V58 V132 F133 | V58-P109 HydrophobicContact CB-CB 4.27Å; V58-P109 HydrophobicContact CB-CG 3.98Å; V58-P109 WeakPolarHBondContact CB-O 3.42Å; V58-P109 HydrophobicContact CG1-CG 4.28Å; V58-P109 PolarHBondContact N-O 2.86Å; P109-V132 CarbonylContact C-O 3.53Å; P109-V132 WeakPolarHBondContact CA-O 3.33Å; P109-F133 HydrophobicContact CB-CD2 4.3Å |
| 110 | Y | 93.8 | Very high | 88 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.8 | 172.3 | -69.7 | -98.8 | 0 | 0 | 0 | 109.4 | L40 Y56 R57 I68 L99 D106 G108 N131 V132 L134 | L40-Y110 HydrophobicContact CD1-CD1 3.71Å; L40-Y110 HydrophobicContact CD1-CE1 4.38Å; L40-Y110 HydrophobicContact CD1-CG 3.8Å; Y56-Y110 CarbonylContact O-C 3.58Å; Y56-Y110 WeakPolarHBondContact O-CA 3.46Å; R57-Y110 HydrophobicContact CB-CD1 4.16Å; R57-Y110 HydrophobicContact CB-CE1 3.84Å; R57-Y110 HydrophobicContact CG-CE1 4.03Å; I68-Y110 HydrophobicContact CD1-CD1 3.72Å; I68-Y110 HydrophobicContact CD1-CE1 3.87Å; L99-Y110 HydrophobicContact CD1-CE1 3.94Å; D106-Y110 WeakPolarHBondContact O-CE2 3.33Å; D106-Y110 PolarHBondContact O-OH 3.22Å; G108-Y110 WeakPolarHBondContact O-CD2 3.39Å; Y110-N131 CarbonylContact O-C 3.59Å; Y110-N131 VanDerWaalsContact O-CA 3.27Å; Y110-N131 WeakPolarHBondContact O-CA 3.27Å; Y110-V132 PolarHBondContact N-O 2.95Å; Y110-V132 PolarHBondContact O-N 2.8Å; Y110-L134 HydrophobicContact CD2-CB 3.86Å; Y110-L134 HydrophobicContact CE2-CB 3.63Å; Y110-L134 HydrophobicContact CE2-CD2 3.8Å; Y110-L134 HydrophobicContact CE2-CG 4.37Å |
| 111 | E | 93.6 | Very high | 86.5 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.5 | 179.4 | -67.7 | 179.8 | -170.6 | 0 | 0 | 111.1 | W55 Y56 V58 K65 H113 G130 N131 | W55-E111 WeakPolarHBondContact CA-O 3.29Å; Y56-E111 PolarHBondContact N-O 3.12Å; Y56-E111 PolarHBondContact O-N 2.79Å; V58-E111 HydrophobicContact CG2-CB 4.31Å; V58-E111 HydrophobicContact CG2-CG 3.71Å; K65-E111 WeakPolarHBondContact CE-OE2 3.45Å; K65-E111 IonicContact NZ-OE1 3.51Å; K65-E111 IonicContact NZ-OE2 2.7Å; K65-E111 PolarHBondContact NZ-OE2 2.85Å; E111-H113 IonicContact OE2-CD2 3.7Å; E111-H113 IonicContact OE2-CE1 3.59Å; E111-H113 IonicContact OE2-NE2 3.47Å; E111-H113 PolarHBondContact OE2-NE2 2.93Å; E111-G130 CarbonylContact C-O 3.45Å; E111-G130 VanDerWaalsContact CA-O 3.24Å; E111-G130 WeakPolarHBondContact CA-O 3.31Å; E111-N131 HydrophobicContact CG-CB 4.06Å |
| 112 | C | 93.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.1 | 169.9 | 174.5 | 0 | 0 | 0 | 0 | 108 | I26 C42 W55 S129 G130 | I26-C112 HydrophobicContact CD1-CB 3.64Å; I26-C112 HydrophobicContact CG1-CB 4.26Å; C42-C112 HydrophobicContact CB-CB 3.59Å; C42-C112 WeakPolarHBondContact CB-SG 3.19Å; C42-C112 WeakPolarHBondContact SG-CB 3.4Å; C42-C112 CovalentContact SG-SG 2.05Å; C42-C112 PolarHBondContact SG-SG 2.83Å; W55-C112 HydrophobicContact CD2-CB 4.06Å; W55-C112 HydrophobicContact CE3-CB 3.99Å; W55-C112 HydrophobicContact CH2-CB 3.92Å; W55-C112 HydrophobicContact CZ2-CB 3.99Å; W55-C112 HydrophobicContact CZ3-CB 3.9Å; C112-S129 CarbonylContact O-C 3.53Å; C112-S129 WeakPolarHBondContact O-CA 3.25Å; C112-S129 WeakPolarHBondContact O-CB 3.25Å; C112-G130 PolarHBondContact N-O 3.24Å; C112-G130 PolarHBondContact O-N 2.84Å |
| 113 | H | 91.9 | Very high | 83.6 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.5 | 176.8 | -71 | -154.1 | 0 | 0 | 0 | 108.6 | I53 V54 Y56 E111 S129 | I53-H113 CarbonylContact C-O 3.54Å; I53-H113 WeakPolarHBondContact CA-O 3.31Å; V54-H113 PolarHBondContact N-O 2.85Å; V54-H113 PolarHBondContact O-N 3.44Å; Y56-H113 HydrophobicContact CD2-CB 4.39Å; Y56-H113 AromaticContact CD2-CD2 3.8Å; Y56-H113 AromaticContact CD2-CG 3.82Å; Y56-H113 AromaticContact CD2-ND1 3.96Å; Y56-H113 AromaticContact CD2-NE2 3.92Å; Y56-H113 HydrophobicContact CE2-CB 3.98Å; Y56-H113 AromaticContact CE2-CE1 3.91Å; Y56-H113 AromaticContact CE2-CG 3.62Å; Y56-H113 AromaticContact CE2-ND1 3.5Å; E111-H113 IonicContact OE2-CD2 3.7Å; E111-H113 IonicContact OE2-CE1 3.59Å; E111-H113 IonicContact OE2-NE2 3.47Å; E111-H113 PolarHBondContact OE2-NE2 2.93Å; H113-S129 WeakPolarHBondContact CD2-CB 3.46Å |
| 114 | V | 90.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.7 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | L22 V24 F44 L50 I53 L127 A128 | L22-V114 HydrophobicContact CD1-CB 4.49Å; L22-V114 HydrophobicContact CD1-CG1 4.02Å; L22-V114 HydrophobicContact CD2-CB 4.48Å; L22-V114 HydrophobicContact CD2-CG1 4.45Å; L22-V114 WeakPolarHBondContact CD2-O 3.46Å; V24-V114 HydrophobicContact CG1-CG2 4.47Å; V24-V114 HydrophobicContact CG2-CB 3.87Å; V24-V114 HydrophobicContact CG2-CG2 3.76Å; F44-V114 HydrophobicContact CB-CG2 4.38Å; F44-V114 HydrophobicContact CD1-CG2 4.03Å; F44-V114 HydrophobicContact CD2-CG1 3.93Å; F44-V114 HydrophobicContact CE1-CG2 4.5Å; F44-V114 HydrophobicContact CE2-CG1 4.07Å; F44-V114 HydrophobicContact CG-CG1 4.2Å; F44-V114 HydrophobicContact CG-CG2 4.11Å; F44-V114 HydrophobicContact CZ-CG1 4.47Å; L50-V114 HydrophobicContact CD1-CG1 3.81Å; I53-V114 HydrophobicContact CG2-CG2 4.4Å; V114-L127 WeakPolarHBondContact O-CA 3.42Å; V114-A128 PolarHBondContact N-O 3.02Å; V114-A128 PolarHBondContact O-N 2.78Å |
| 115 | G | 89.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R51 E52 V126 | R51-G115 WeakPolarHBondContact CB-O 3.44Å; R51-G115 PolarHBondContact N-O 3.09Å; E52-G115 PolarHBondContact N-O 3.23Å; E52-G115 PolarHBondContact O-N 2.99Å; G115-V126 WeakPolarHBondContact CA-O 3.3Å |
| 116 | I | 85.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151 | 172.6 | 65 | 172.9 | 0 | 0 | 0 | 110.6 | L22 T46 R49 V125 V126 | L22-I116 HydrophobicContact CB-CD1 3.94Å; L22-I116 HydrophobicContact CD1-CG2 4.1Å; L22-I116 HydrophobicContact CD2-CD1 4.42Å; L22-I116 HydrophobicContact CD2-CG1 4.24Å; L22-I116 HydrophobicContact CD2-CG2 4.29Å; T46-I116 HydrophobicContact CG2-CG2 4.09Å; T46-I116 VanDerWaalsContact OG1-CD1 3.28Å; T46-I116 WeakPolarHBondContact OG1-CD1 3.45Å; R49-I116 CarbonylContact O-C 3.55Å; R49-I116 WeakPolarHBondContact O-CA 3.02Å; I116-V125 VanDerWaalsContact O-CA 3.31Å; I116-V125 WeakPolarHBondContact O-CA 3.42Å; I116-V126 HydrophobicContact CD1-CB 4.18Å; I116-V126 HydrophobicContact CG1-CB 3.76Å; I116-V126 PolarHBondContact N-O 2.86Å; I116-V126 PolarHBondContact O-N 2.84Å |
| 117 | Y | 81.5 | Confident | 80.3 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.5 | 167.6 | -69.3 | -74.4 | 0 | 0 | 0 | 110.2 | R49 R51 M74 R122 | R49-Y117 HydrophobicContact CB-CD2 4.25Å; R49-Y117 PolarHBondContact O-N 3.06Å; R51-Y117 HydrophobicContact CB-CD2 3.98Å; R51-Y117 HydrophobicContact CB-CE2 3.88Å; R51-Y117 HydrophobicContact CB-CG 4.42Å; R51-Y117 WeakPolarHBondContact CD-OH 3.35Å; R51-Y117 HydrophobicContact CG-CE1 4.48Å; R51-Y117 HydrophobicContact CG-CE2 4.33Å; M74-Y117 PolarHBondContact SD-OH 2.8Å; Y117-R122 WeakPolarHBondContact CD1-O 3.47Å |
| 118 | D | 72.5 | Confident | 80.1 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -62.4 | 138.8 | 172.2 | 176.3 | 19.6 | 0 | 0 | 0 | 110.5 | A120 T121 K124 | D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact OD1-N 3.31Å; D118-A120 VanDerWaalsContact OD1-N 3.1Å; D118-T121 WeakPolarHBondContact CB-O 3.45Å; D118-T121 CarbonylContact O-C 3.54Å; D118-T121 PolarHBondContact OD2-N 2.9Å; D118-T121 PolarHBondContact OD2-OG1 2.61Å; D118-K124 HydrophobicContact CB-CB 3.9Å; D118-K124 HydrophobicContact CB-CG 4.46Å; D118-K124 VanDerWaalsContact CB-O 3.23Å; D118-K124 WeakPolarHBondContact CB-O 3.24Å; D118-K124 PolarHBondContact N-O 3.31Å | ||
| 119 | R | 66.3 | Low | 80.1 | Confident | 172 Ų | 172 | 65.2 Ų | 65.2 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -71.8 | -32.6 | -179 | -172 | 176.5 | 179.4 | -178.2 | -3.5 | 111.3 | ||
| 120 | A | 66.9 | Low | 79.9 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -81 | -41.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D118 | D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact OD1-N 3.31Å; D118-A120 VanDerWaalsContact OD1-N 3.1Å |
| 121 | T | 62.7 | Low | 79.8 | Confident | 70 Ų | 70 | 69 Ų | 69 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | trans | -128.3 | 113.2 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 110 | D118 E123 K124 | D118-T121 WeakPolarHBondContact CB-O 3.45Å; D118-T121 CarbonylContact O-C 3.54Å; D118-T121 PolarHBondContact OD2-N 2.9Å; D118-T121 PolarHBondContact OD2-OG1 2.61Å; T121-E123 PolarHBondContact O-N 2.87Å; T121-K124 PolarHBondContact O-N 2.85Å; T121-K124 VanDerWaalsContact O-N 3.15Å; T121-K124 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 122 | R | 63.6 | Low | 79.8 | Confident | 209 Ų | 209 | 68.3 Ų | 68.3 | 79% | 0.789 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -1.7 | -179.4 | -76.5 | 173.3 | 171.3 | 130.3 | -3.4 | 114.5 | Y117 | Y117-R122 WeakPolarHBondContact CD1-O 3.47Š|
| 123 | E | 61.4 | Low | 79.7 | Confident | 186 Ų | 186 | 73.7 Ų | 73.7 | 87% | 0.869 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -22.2 | -178.4 | -63.3 | -178.6 | 169.9 | 0 | 0 | 113.1 | T121 | T121-E123 PolarHBondContact O-N 2.87Š|
| 124 | K | 64.6 | Low | 79.8 | Confident | 131 Ų | 131 | 71.9 Ų | 71.9 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | trans | -88.9 | 136.7 | -178.7 | -171.5 | 179.5 | 178 | -173.8 | 0 | 110.4 | D118 T121 | D118-K124 HydrophobicContact CB-CB 3.9Å; D118-K124 HydrophobicContact CB-CG 4.46Å; D118-K124 VanDerWaalsContact CB-O 3.23Å; D118-K124 WeakPolarHBondContact CB-O 3.24Å; D118-K124 PolarHBondContact N-O 3.31Å; T121-K124 PolarHBondContact O-N 2.85Å; T121-K124 VanDerWaalsContact O-N 3.15Å; T121-K124 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 125 | V | 72.9 | Confident | 79.9 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.5 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | R51 I116 L127 | R51-V125 HydrophobicContact CG-CG2 4.44Å; I116-V125 VanDerWaalsContact O-CA 3.31Å; I116-V125 WeakPolarHBondContact O-CA 3.42Å; V125-L127 HydrophobicContact CG1-CD2 3.86Å; V125-L127 HydrophobicContact CG1-CG 4.24Å |
| 126 | V | 76.5 | Confident | 80.2 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.5 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | G115 I116 | G115-V126 WeakPolarHBondContact CA-O 3.3Å; I116-V126 HydrophobicContact CD1-CB 4.18Å; I116-V126 HydrophobicContact CG1-CB 3.76Å; I116-V126 PolarHBondContact N-O 2.86Å; I116-V126 PolarHBondContact O-N 2.84Å |
| 127 | L | 83.6 | Confident | 80.6 | Confident | 114 Ų | 114 | 75.8 Ų | 75.8 | 60% | 0.597 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | -178.6 | -64.2 | 171.1 | 0 | 0 | 0 | 109.7 | V114 V125 | V114-L127 WeakPolarHBondContact O-CA 3.42Å; V125-L127 HydrophobicContact CG1-CD2 3.86Å; V125-L127 HydrophobicContact CG1-CG 4.24Å |
| 128 | A | 86.9 | Confident | 81.3 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 20% | 0.198 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L22 V24 V114 | L22-A128 HydrophobicContact CB-CB 4.38Å; L22-A128 HydrophobicContact CD2-CB 3.45Å; L22-A128 VanDerWaalsContact CD2-CB 3.45Å; L22-A128 HydrophobicContact CG-CB 3.57Å; V24-A128 HydrophobicContact CB-CB 4.34Å; V24-A128 HydrophobicContact CG2-CB 3.62Å; V114-A128 PolarHBondContact N-O 3.02Å; V114-A128 PolarHBondContact O-N 2.78Å |
| 129 | S | 90.8 | Very high | 82.4 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.2 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | C112 H113 | C112-S129 CarbonylContact O-C 3.53Å; C112-S129 WeakPolarHBondContact O-CA 3.25Å; C112-S129 WeakPolarHBondContact O-CB 3.25Å; H113-S129 WeakPolarHBondContact CD2-CB 3.46Å |
| 130 | G | 90.4 | Very high | 83.7 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 159.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I26 E111 C112 | I26-G130 VanDerWaalsContact CD1-O 3.28Å; I26-G130 WeakPolarHBondContact CD1-O 3.49Å; E111-G130 CarbonylContact C-O 3.45Å; E111-G130 VanDerWaalsContact CA-O 3.24Å; E111-G130 WeakPolarHBondContact CA-O 3.31Å; C112-G130 PolarHBondContact N-O 3.24Å; C112-G130 PolarHBondContact O-N 2.84Å |
| 131 | N | 91.1 | Very high | 85 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 65% | 0.652 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 154.3 | 175 | 65.3 | -1.5 | 0 | 0 | 0 | 112 | Y110 E111 | Y110-N131 CarbonylContact O-C 3.59Å; Y110-N131 VanDerWaalsContact O-CA 3.27Å; Y110-N131 WeakPolarHBondContact O-CA 3.27Å; E111-N131 HydrophobicContact CG-CB 4.06Å |
| 132 | V | 93 | Very high | 86.5 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 143.8 | 173.4 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | I26 L40 P109 Y110 | I26-V132 HydrophobicContact CB-CB 4.48Å; I26-V132 HydrophobicContact CD1-CG1 4.45Å; I26-V132 HydrophobicContact CG2-CB 3.61Å; I26-V132 HydrophobicContact CG2-CG1 3.76Å; I26-V132 HydrophobicContact CG2-CG2 4.24Å; L40-V132 HydrophobicContact CD2-CG1 4.4Å; P109-V132 CarbonylContact C-O 3.53Å; P109-V132 WeakPolarHBondContact CA-O 3.33Å; Y110-V132 PolarHBondContact N-O 2.95Å; Y110-V132 PolarHBondContact O-N 2.8Å |
| 133 | F | 92.7 | Very high | 88 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.2 | 175.9 | -164.6 | -87 | 0 | 0 | 0 | 109.9 | P109 T135 | P109-F133 HydrophobicContact CB-CD2 4.3Å; F133-T135 PolarHBondContact O-N 2.89Å |
| 134 | L | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 111.5 | 174.5 | -177.9 | 63.2 | 0 | 0 | 0 | 109.3 | V32 V38 L99 V102 N107 G108 Y110 V136 | V32-L134 HydrophobicContact CG2-CD1 4.08Å; V38-L134 HydrophobicContact CB-CD1 4.45Å; V38-L134 HydrophobicContact CG1-CD1 4.17Å; V38-L134 HydrophobicContact CG1-CD2 4.14Å; V38-L134 HydrophobicContact CG2-CD1 3.98Å; L99-L134 HydrophobicContact CD1-CD2 4.32Å; V102-L134 HydrophobicContact CG1-CD2 4.31Å; N107-L134 WeakPolarHBondContact CA-O 3.32Å; N107-L134 PolarHBondContact OD1-O 3.4Å; G108-L134 PolarHBondContact N-O 2.91Å; G108-L134 PolarHBondContact O-N 3.34Å; Y110-L134 HydrophobicContact CD2-CB 3.86Å; Y110-L134 HydrophobicContact CE2-CB 3.63Å; Y110-L134 HydrophobicContact CE2-CD2 3.8Å; Y110-L134 HydrophobicContact CE2-CG 4.37Å; L134-V136 HydrophobicContact CD2-CG2 4.16Å; L134-V136 HydrophobicContact CG-CG2 3.97Å |
| 135 | T | 93.4 | Very high | 91.1 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | trans | -92.8 | 117.8 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | P31 V32 F133 | P31-T135 WeakPolarHBondContact CA-O 3.26Å; P31-T135 HydrophobicContact CB-CG2 4.08Å; P31-T135 HydrophobicContact CG-CG2 4.37Å; V32-T135 PolarHBondContact N-O 3.49Å; F133-T135 PolarHBondContact O-N 2.89Å | ||
| 136 | V | 94.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.5 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | V32 V34 V102 N107 L134 | V32-V136 CarbonylContact O-C 3.6Å; V32-V136 WeakPolarHBondContact O-CA 3.45Å; V34-V136 HydrophobicContact CG2-CG1 3.68Å; V102-V136 HydrophobicContact CG1-CB 4.32Å; V102-V136 HydrophobicContact CG1-CG1 3.87Å; V102-V136 HydrophobicContact CG1-CG2 3.44Å; V102-V136 VanDerWaalsContact CG1-CG2 3.44Å; N107-V136 HydrophobicContact CB-CB 4.16Å; N107-V136 HydrophobicContact CB-CG2 4.05Å; N107-V136 PolarHBondContact OD1-N 2.77Å; N107-V136 VanDerWaalsContact OD1-N 3.09Å; L134-V136 HydrophobicContact CD2-CG2 4.16Å; L134-V136 HydrophobicContact CG-CG2 3.97Å |
| 137 | M | 95.4 | Very high | 93 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.5 | 177 | -57.3 | -173.3 | -64.4 | 0 | 0 | 111.1 | P31 V32 V33 V34 K172 P324 A325 | P31-M137 HydrophobicContact CB-CE 3.73Å; P31-M137 HydrophobicContact CB-CG 3.86Å; P31-M137 HydrophobicContact CB-SD 3.67Å; V32-M137 PolarHBondContact O-N 3.47Å; V33-M137 WeakPolarHBondContact CA-O 3.25Å; V33-M137 HydrophobicContact CG2-CE 4.1Å; V34-M137 WeakPolarHBondContact CG2-O 3.44Å; V34-M137 PolarHBondContact N-O 2.87Å; M137-K172 CarbonylContact C-O 3.53Å; M137-K172 WeakPolarHBondContact CA-O 3.05Å; M137-K172 WeakPolarHBondContact CB-O 3.41Å; M137-P324 HydrophobicContact SD-CB 3.89Å; M137-A325 HydrophobicContact CB-CB 3.88Å; M137-A325 HydrophobicContact CE-CB 4.2Å |
| 138 | S | 94.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -116.2 | 118.6 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | G170 G171 K172 H323 | S138-G170 WeakPolarHBondContact CB-O 3.35Å; S138-G170 PolarHBondContact OG-O 2.81Å; S138-G171 CarbonylContact O-C 3.58Å; S138-G171 WeakPolarHBondContact O-CA 3.4Å; S138-K172 PolarHBondContact N-O 2.94Å; S138-K172 PolarHBondContact O-N 2.86Å; S138-H323 PolarHBondContact O-CE1 3.18Å; S138-H323 PolarHBondContact O-NE2 3.21Å |
| 139 | P | 95.1 | Very high | 93.5 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | trans | -67.3 | 150.7 | 174 | 29.1 | -32.8 | 0 | 0 | 0 | 110.5 | V33 N141 A325 L326 | V33-P139 HydrophobicContact CG1-CG 4.4Å; P139-N141 PolarHBondContact O-N 2.89Å; P139-A325 HydrophobicContact CB-CB 4.21Å; P139-L326 HydrophobicContact CB-CD2 3.7Å; P139-L326 HydrophobicContact CB-CG 4.18Å | ||
| 140 | P | 95.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | trans | -61.5 | 138.2 | 172.4 | 25.7 | -31.7 | 0 | 0 | 0 | 110.3 | K169 V321 H323 L326 M330 | P140-K169 CarbonylContact C-O 3.57Å; P140-K169 WeakPolarHBondContact CA-O 3.44Å; P140-K169 WeakPolarHBondContact CB-O 3.43Å; P140-V321 HydrophobicContact CG-CG1 4.33Å; P140-H323 HydrophobicContact CG-CB 4.28Å; P140-L326 HydrophobicContact CG-CD1 3.86Å; P140-M330 HydrophobicContact CB-SD 4.36Å; P140-M330 HydrophobicContact CG-SD 3.87Å; P140-M330 VanDerWaalsContact O-SD 3.39Å | ||
| 141 | N | 93.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 29% | 0.286 | S | S | * | . | trans | -99 | -22.5 | -174 | 62.7 | 1.4 | 0 | 0 | 0 | 113.3 | P139 K169 | P139-N141 PolarHBondContact O-N 2.89Å; N141-K169 PolarHBondContact N-O 2.84Å; N141-K169 PolarHBondContact OD1-O 3.32Å | ||
| 142 | N | 94.3 | Very high | 92.6 | Very high | 82 Ų | 82 | 47.3 Ų | 47.3 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 136.7 | -176 | -171.3 | -64.3 | 0 | 0 | 0 | 109.9 | K169 | N142-K169 PolarHBondContact O-N 2.87Å |
| 143 | I | 95.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.2 | 171.5 | 62.3 | 169.3 | 0 | 0 | 0 | 109.3 | T167 A168 V321 M330 Q331 T332 | I143-T167 VanDerWaalsContact CA-O 3.32Å; I143-T167 WeakPolarHBondContact CA-O 3.46Å; I143-A168 HydrophobicContact CG2-CB 4.1Å; I143-V321 HydrophobicContact CG2-CB 4.31Å; I143-V321 HydrophobicContact CG2-CG2 3.85Å; I143-M330 HydrophobicContact CD1-CB 3.74Å; I143-M330 HydrophobicContact CG1-CE 4.22Å; I143-M330 HydrophobicContact CG2-CB 4.43Å; I143-M330 HydrophobicContact CG2-CE 4.25Å; I143-M330 HydrophobicContact CG2-SD 4.37Å; I143-Q331 VanDerWaalsContact CD1-C 3.41Å; I143-T332 HydrophobicContact CB-CG2 4.41Å; I143-T332 HydrophobicContact CD1-CG2 3.78Å; I143-T332 HydrophobicContact CG1-CG2 4.02Å |
| 144 | S | 95.3 | Very high | 92.1 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141.8 | 177.5 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | C166 T167 | S144-C166 CarbonylContact O-C 3.54Å; S144-C166 WeakPolarHBondContact O-CA 3.3Å; S144-T167 PolarHBondContact N-O 2.83Å; S144-T167 PolarHBondContact O-N 2.95Å |
| 145 | V | 95.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.5 | 173.2 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | L164 V165 C166 C319 T332 V334 | V145-L164 HydrophobicContact CG1-CD2 4.15Å; V145-V165 WeakPolarHBondContact CA-O 3.36Å; V145-C166 HydrophobicContact CG2-CB 3.97Å; V145-C319 HydrophobicContact CG2-CB 3.47Å; V145-C319 VanDerWaalsContact CG2-CB 3.47Å; V145-T332 HydrophobicContact CB-CG2 4.34Å; V145-T332 HydrophobicContact CG2-CG2 3.5Å; V145-T332 VanDerWaalsContact CG2-CG2 3.5Å; V145-V334 HydrophobicContact CB-CG1 3.94Å; V145-V334 HydrophobicContact CB-CG2 4.49Å; V145-V334 HydrophobicContact CG1-CB 4.44Å; V145-V334 HydrophobicContact CG1-CG1 3.86Å; V145-V334 HydrophobicContact CG1-CG2 3.65Å |
| 146 | L | 95.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 57 Ų | 57 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 155.8 | 178.9 | -62.1 | 173.5 | 0 | 0 | 0 | 109.5 | V165 | L146-V165 PolarHBondContact N-O 3.28Å; L146-V165 PolarHBondContact O-N 3.02Å |
| 147 | A | 93.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T150 F162 F374 P375 | A147-T150 HydrophobicContact CB-CG2 3.44Å; A147-T150 VanDerWaalsContact CB-CG2 3.44Å; A147-T150 PolarHBondContact O-OG1 3.16Å; A147-F162 HydrophobicContact CB-CE1 4.4Å; A147-F162 HydrophobicContact CB-CE2 3.83Å; A147-F162 HydrophobicContact CB-CZ 3.48Å; A147-F162 VanDerWaalsContact CB-CZ 3.48Å; A147-F374 HydrophobicContact CB-CE1 4.46Å; A147-F374 HydrophobicContact CB-CE2 4.05Å; A147-F374 HydrophobicContact CB-CZ 3.7Å; A147-P375 HydrophobicContact CB-CB 4.02Å |
| 148 | E | 92.9 | Very high | 89.4 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 149.9 | 172.6 | -158 | 174.1 | -172.3 | 0 | 0 | 110.5 | T150 T163 V165 R302 | E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.18Å; E148-T163 HydrophobicContact CB-CG2 4.18Å; E148-T163 PolarHBondContact N-O 3.32Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.5Å; E148-V165 HydrophobicContact CB-CG2 3.98Å; E148-R302 IonicContact OE1-CZ 3.81Å; E148-R302 IonicContact OE1-NH1 2.71Å; E148-R302 PolarHBondContact OE1-NH1 2.88Å; E148-R302 IonicContact OE2-NH1 3.45Å; E148-R302 PolarHBondContact OE2-NH1 3.06Å |
| 149 | N | 87.2 | Confident | 88.6 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 32.4 | 176.1 | -53.1 | -50.3 | 0 | 0 | 0 | 114.2 | A152 | N149-A152 WeakPolarHBondContact O-CB 2.87Š|
| 150 | T | 83.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | trans | -106.8 | 140.7 | 174.9 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | A147 E148 F162 P375 | A147-T150 HydrophobicContact CB-CG2 3.44Å; A147-T150 VanDerWaalsContact CB-CG2 3.44Å; A147-T150 PolarHBondContact O-OG1 3.16Å; E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.18Å; T150-F162 HydrophobicContact CG2-CE2 4.26Å; T150-P375 HydrophobicContact CG2-CB 3.55Å | ||
| 151 | P | 84.9 | Confident | 87.8 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | S | Bend | cis | -77.8 | 143.5 | 8.2 | 30.3 | -35.1 | 0 | 0 | 0 | 113.8 | E376 L378 | P151-E376 WeakPolarHBondContact CB-O 3.41Å; P151-L378 HydrophobicContact CB-CB 4.3Å; P151-L378 HydrophobicContact CB-CD1 4.41Å; P151-L378 HydrophobicContact CG-CD1 4.24Å |
| 152 | A | 86 | Confident | 87.8 | Confident | 23 Ų | 23 | 74 Ų | 74 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | trans | -130.4 | 149.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | N149 N420 P421 | N149-A152 WeakPolarHBondContact O-CB 2.87Å; A152-N420 WeakPolarHBondContact O-CA 3.27Å; A152-P421 HydrophobicContact CB-CG 3.65Å; A152-P421 WeakPolarHBondContact O-CD 3.36Å | ||
| 153 | L | 87.8 | Confident | 87.8 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | trans | -72.1 | 146.4 | -177.5 | -69.4 | 171.5 | 0 | 0 | 0 | 111.7 | Q160 L378 Q419 | L153-Q160 PolarHBondContact O-NE2 3.08Å; L153-Q160 PolarHBondContact O-OE1 3.18Å; L153-L378 HydrophobicContact CD2-CD2 3.52Å; L153-Q419 HydrophobicContact CD2-CG 4.3Å | ||
| 154 | F | 87.4 | Confident | 87.8 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | trans | -72.3 | 132.1 | 168.2 | -178.8 | -119.1 | 0 | 0 | 0 | 110.3 | R156 P309 Q419 N420 G423 | F154-R156 HydrophobicContact CE1-CB 4.14Å; F154-R156 HydrophobicContact CZ-CB 4.49Å; F154-P309 HydrophobicContact CE2-CB 4.42Å; F154-P309 HydrophobicContact CE2-CG 4.06Å; F154-Q419 HydrophobicContact CB-CB 4.27Å; F154-N420 WeakPolarHBondContact CA-O 3.49Å; F154-N420 VanDerWaalsContact CB-O 3.24Å; F154-N420 WeakPolarHBondContact CB-O 3.37Å; F154-G423 VanDerWaalsContact CD2-CA 3.49Å | ||
| 155 | S | 83.9 | Confident | 87.9 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 26% | 0.259 | 35% | 0.345 | S | S | . | . | trans | -122.2 | 118.1 | 170 | -174.8 | 0 | 0 | 0 | 0 | 110 | Y157 Q158 Q160 | S155-Y157 VanDerWaalsContact C-N 3.31Å; S155-Y157 PolarHBondContact OG-N 2.86Å; S155-Q158 PolarHBondContact OG-N 2.96Å; S155-Q158 VanDerWaalsContact OG-N 3.15Å; S155-Q160 VanDerWaalsContact N-NE2 3.18Å | ||
| 156 | R | 79.6 | Confident | 88 | Confident | 198 Ų | 198 | 67.5 Ų | 67.5 | 75% | 0.747 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -74.3 | -25.6 | 172.5 | -178.1 | -179 | -69 | -132.9 | -0.2 | 112.3 | F154 | F154-R156 HydrophobicContact CE1-CB 4.14Å; F154-R156 HydrophobicContact CZ-CB 4.49Å |
| 157 | Y | 76.2 | Confident | 88.1 | Confident | 197 Ų | 197 | 63.4 Ų | 63.4 | 77% | 0.773 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -101.4 | -17.4 | -167.8 | -56.6 | -68.2 | 0 | 0 | 0 | 113.4 | S155 | S155-Y157 VanDerWaalsContact C-N 3.31Å; S155-Y157 PolarHBondContact OG-N 2.86Å |
| 158 | Q | 78.5 | Confident | 88.2 | Confident | 144 Ų | 144 | 62.8 Ų | 62.8 | 67% | 0.673 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -131.3 | 128 | -175.9 | -172 | 177.2 | 6.8 | 0 | 0 | 110 | S155 | S155-Q158 PolarHBondContact OG-N 2.96Å; S155-Q158 VanDerWaalsContact OG-N 3.15Å |
| 159 | A | 77.8 | Confident | 88.3 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | trans | -66.9 | 134.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T306 | A159-T306 HydrophobicContact CB-CG2 3.56Š| ||
| 160 | Q | 84.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | trans | -105.7 | 140.6 | -180 | -64.6 | -178.3 | 37.5 | 0 | 0 | 109.7 | L153 S155 L307 | L153-Q160 PolarHBondContact O-NE2 3.08Å; L153-Q160 PolarHBondContact O-OE1 3.18Å; S155-Q160 VanDerWaalsContact N-NE2 3.18Å; Q160-L307 WeakPolarHBondContact O-CB 3.49Å; Q160-L307 PolarHBondContact O-N 2.83Å | ||
| 161 | N | 90 | Very high | 89 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.5 | 168.5 | -67.9 | -18.4 | 0 | 0 | 0 | 107.9 | T304 W305 T306 | N161-T304 HydrophobicContact CB-CG2 4.27Å; N161-W305 CarbonylContact C-O 3.55Å; N161-W305 WeakPolarHBondContact CA-O 3.44Å; N161-T306 PolarHBondContact OD1-OG1 3.07Å |
| 162 | F | 92.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.1 | 179.2 | -172.6 | -100.1 | 0 | 0 | 0 | 109 | A147 T150 L164 T304 W305 L307 L336 P375 P421 | A147-F162 HydrophobicContact CB-CE1 4.4Å; A147-F162 HydrophobicContact CB-CE2 3.83Å; A147-F162 HydrophobicContact CB-CZ 3.48Å; A147-F162 VanDerWaalsContact CB-CZ 3.48Å; T150-F162 HydrophobicContact CG2-CE2 4.26Å; F162-L164 HydrophobicContact CD1-CG 4.44Å; F162-L164 HydrophobicContact CE1-CD2 3.62Å; F162-L164 HydrophobicContact CE1-CG 3.92Å; F162-L164 HydrophobicContact CZ-CD2 4.24Å; F162-T304 WeakPolarHBondContact O-CA 3.39Å; F162-W305 AromaticContact CD1-CH2 3.46Å; F162-W305 HydrophobicContact CD1-CH2 3.46Å; F162-W305 VanDerWaalsContact CD1-CH2 3.46Å; F162-W305 AromaticContact CD1-CZ2 3.67Å; F162-W305 HydrophobicContact CD1-CZ2 3.67Å; F162-W305 AromaticContact CD1-CZ3 4Å; F162-W305 HydrophobicContact CD1-CZ3 4Å; F162-W305 AromaticContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CZ2 4.32Å; F162-W305 PolarHBondContact N-O 2.81Å; F162-W305 PolarHBondContact O-N 3.04Å; F162-L307 HydrophobicContact CB-CB 3.89Å; F162-L307 HydrophobicContact CB-CD1 3.98Å; F162-L307 HydrophobicContact CB-CD2 4.34Å; F162-L307 HydrophobicContact CB-CG 4.31Å; F162-L307 HydrophobicContact CD1-CD1 4.26Å; F162-L307 HydrophobicContact CG-CD1 4.12Å; F162-L336 HydrophobicContact CE1-CD1 4.5Å; F162-L336 HydrophobicContact CE1-CD2 3.88Å; F162-L336 HydrophobicContact CZ-CD2 4.13Å; F162-P375 HydrophobicContact CE2-CB 3.96Å; F162-P375 HydrophobicContact CE2-CG 3.77Å; F162-P375 HydrophobicContact CZ-CB 4.06Å; F162-P375 HydrophobicContact CZ-CG 4Å; F162-P421 HydrophobicContact CD2-CG 4.47Å |
| 163 | T | 95.2 | Very high | 89.8 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.3 | -177.8 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | E148 V165 R302 L303 T304 | E148-T163 HydrophobicContact CB-CG2 4.18Å; E148-T163 PolarHBondContact N-O 3.32Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.5Å; T163-V165 HydrophobicContact CG2-CG2 4.17Å; T163-R302 HydrophobicContact CG2-CB 4.15Å; T163-L303 CarbonylContact C-O 3.51Å; T163-L303 VanDerWaalsContact CA-O 3.25Å; T163-L303 WeakPolarHBondContact CA-O 3.31Å; T163-T304 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T304 WeakPolarHBondContact OG1-CG2 3.12Å; T163-T304 PolarHBondContact OG1-OG1 2.78Å |
| 164 | L | 96.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.2 | 166.5 | -71.3 | 177.6 | 0 | 0 | 0 | 110.3 | V145 F162 F179 R302 L303 W305 F317 V334 F374 | V145-L164 HydrophobicContact CG1-CD2 4.15Å; F162-L164 HydrophobicContact CD1-CG 4.44Å; F162-L164 HydrophobicContact CE1-CD2 3.62Å; F162-L164 HydrophobicContact CE1-CG 3.92Å; F162-L164 HydrophobicContact CZ-CD2 4.24Å; L164-F179 HydrophobicContact CB-CE1 4.14Å; L164-R302 CarbonylContact O-C 3.59Å; L164-R302 WeakPolarHBondContact O-CA 3.3Å; L164-L303 HydrophobicContact CB-CB 4.43Å; L164-L303 PolarHBondContact N-O 2.82Å; L164-L303 PolarHBondContact O-N 2.93Å; L164-W305 HydrophobicContact CB-CZ3 4.2Å; L164-W305 HydrophobicContact CD1-CH2 3.52Å; L164-W305 HydrophobicContact CD1-CZ3 3.81Å; L164-W305 HydrophobicContact CG-CH2 3.61Å; L164-W305 HydrophobicContact CG-CZ3 3.71Å; L164-F317 HydrophobicContact CD1-CB 3.66Å; L164-F317 HydrophobicContact CD1-CD1 3.67Å; L164-F317 HydrophobicContact CD1-CD2 4.36Å; L164-F317 HydrophobicContact CD1-CE1 4.41Å; L164-F317 HydrophobicContact CD1-CG 3.62Å; L164-V334 HydrophobicContact CD2-CG2 4.4Å; L164-F374 HydrophobicContact CD2-CE1 3.74Å; L164-F374 HydrophobicContact CD2-CZ 3.77Å |
| 165 | V | 96.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 111.1 | -179.2 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | V145 L146 E148 T163 Q300 A301 R302 | V145-V165 WeakPolarHBondContact CA-O 3.36Å; L146-V165 PolarHBondContact N-O 3.28Å; L146-V165 PolarHBondContact O-N 3.02Å; E148-V165 HydrophobicContact CB-CG2 3.98Å; T163-V165 HydrophobicContact CG2-CG2 4.17Å; V165-Q300 HydrophobicContact CG1-CG 3.51Å; V165-A301 CarbonylContact C-O 3.54Å; V165-A301 WeakPolarHBondContact CA-O 3.34Å; V165-R302 HydrophobicContact CG1-CG 4.44Å; V165-R302 HydrophobicContact CG2-CG 4.27Å |
| 166 | C | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.4 | 171.9 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | S144 V145 V177 F179 Q300 A301 C319 | S144-C166 CarbonylContact O-C 3.54Å; S144-C166 WeakPolarHBondContact O-CA 3.3Å; V145-C166 HydrophobicContact CG2-CB 3.97Å; C166-V177 HydrophobicContact CB-CG1 4.19Å; C166-F179 HydrophobicContact CB-CE1 3.96Å; C166-F179 HydrophobicContact CB-CZ 3.65Å; C166-Q300 CarbonylContact O-C 3.51Å; C166-Q300 WeakPolarHBondContact O-CA 3.47Å; C166-A301 PolarHBondContact N-O 3.41Å; C166-A301 PolarHBondContact O-N 3.5Å; C166-C319 HydrophobicContact CB-CB 3.72Å; C166-C319 WeakPolarHBondContact CB-SG 3.31Å; C166-C319 WeakPolarHBondContact SG-CB 3.24Å; C166-C319 CovalentContact SG-SG 2.02Å; C166-C319 PolarHBondContact SG-SG 3.5Å |
| 167 | T | 97.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.5 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | I143 S144 K169 V298 V299 | I143-T167 VanDerWaalsContact CA-O 3.32Å; I143-T167 WeakPolarHBondContact CA-O 3.46Å; S144-T167 PolarHBondContact N-O 2.83Å; S144-T167 PolarHBondContact O-N 2.95Å; T167-K169 HydrophobicContact CG2-CG 4.1Å; T167-V298 HydrophobicContact CG2-CG1 3.83Å; T167-V299 WeakPolarHBondContact CA-O 3.41Å |
| 168 | A | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I143 P175 V298 V299 V321 | I143-A168 HydrophobicContact CG2-CB 4.1Å; A168-P175 HydrophobicContact CB-CG 4.04Å; A168-V298 CarbonylContact O-C 3.57Å; A168-V298 WeakPolarHBondContact O-CA 3Å; A168-V299 PolarHBondContact N-O 3Å; A168-V299 PolarHBondContact O-N 2.83Å; A168-V321 HydrophobicContact CB-CG1 4Å; A168-V321 HydrophobicContact CB-CG2 4.23Å |
| 169 | K | 95.1 | Very high | 93.7 | Very high | 98 Ų | 98 | 31.8 Ų | 31.8 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.6 | -174.1 | -60.9 | -176.6 | -178.9 | 178.2 | 0 | 112.2 | P140 N141 N142 T167 V298 | P140-K169 CarbonylContact C-O 3.57Å; P140-K169 WeakPolarHBondContact CA-O 3.44Å; P140-K169 WeakPolarHBondContact CB-O 3.43Å; N141-K169 PolarHBondContact N-O 2.84Å; N141-K169 PolarHBondContact OD1-O 3.32Å; N142-K169 PolarHBondContact O-N 2.87Å; T167-K169 HydrophobicContact CG2-CG 4.1Å; K169-V298 HydrophobicContact CB-CG2 4.36Å; K169-V298 HydrophobicContact CG-CG1 4.01Å; K169-V298 HydrophobicContact CG-CG2 4.13Å |
| 170 | G | 92.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.5 | 9.2 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | S138 | S138-G170 WeakPolarHBondContact CB-O 3.35Å; S138-G170 PolarHBondContact OG-O 2.81Å |
| 171 | G | 93 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S138 P173 V297 | S138-G171 CarbonylContact O-C 3.58Å; S138-G171 WeakPolarHBondContact O-CA 3.4Å; G171-P173 CarbonylContact C-O 3.59Å; G171-P173 VanDerWaalsContact C-O 3.3Å; G171-V297 PolarHBondContact N-O 3.46Å; G171-V297 PolarHBondContact O-N 2.84Å |
| 172 | K | 94.4 | Very high | 95 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 18% | 0.183 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -143.4 | 112.5 | 169.3 | -175.4 | -175.7 | -178.6 | 178.7 | 0 | 108.4 | I104 M137 S138 G295 H323 | I104-K172 HydrophobicContact CG2-CD 3.68Å; M137-K172 CarbonylContact C-O 3.53Å; M137-K172 WeakPolarHBondContact CA-O 3.05Å; M137-K172 WeakPolarHBondContact CB-O 3.41Å; S138-K172 PolarHBondContact N-O 2.94Å; S138-K172 PolarHBondContact O-N 2.86Å; K172-G295 WeakPolarHBondContact CD-O 3.48Å; K172-H323 PolarHBondContact N-NE2 3.16Å; K172-H323 PolarHBondContact O-CE1 3.02Å; K172-H323 PolarHBondContact O-NE2 2.82Å |
| 173 | P | 93.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 33 Ų | 33 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | S | Bend | cis | -67.1 | 176.9 | -0.8 | 30.9 | -37.2 | 0 | 0 | 0 | 113.5 | G171 H323 P324 | G171-P173 CarbonylContact C-O 3.59Å; G171-P173 VanDerWaalsContact C-O 3.3Å; P173-H323 WeakPolarHBondContact CD-NE2 3.39Å; P173-H323 PolarHBondContact O-CD2 2.85Å; P173-H323 PolarHBondContact O-NE2 2.84Å; P173-P324 HydrophobicContact CG-CG 4.15Å |
| 174 | A | 95.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -56.9 | 126.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V297 V299 | A174-V297 HydrophobicContact CB-CB 4.26Å; A174-V297 HydrophobicContact CB-CG1 4.05Å; A174-V299 HydrophobicContact CB-CG2 4.14Å |
| 175 | P | 96.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 153.1 | -179.4 | 28.3 | -36 | 0 | 0 | 0 | 112.2 | A168 V299 V321 H323 | A168-P175 HydrophobicContact CB-CG 4.04Å; P175-V299 HydrophobicContact CG-CB 4.26Å; P175-V299 HydrophobicContact CG-CG2 3.83Å; P175-V321 HydrophobicContact CB-CG1 3.65Å; P175-V321 HydrophobicContact CG-CG1 4.29Å; P175-H323 HydrophobicContact CB-CB 4.32Å |
| 176 | S | 95.2 | Very high | 94.4 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.8 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | V321 K322 | S176-V321 CarbonylContact O-C 3.57Å; S176-V321 WeakPolarHBondContact O-CA 3.45Å; S176-K322 PolarHBondContact N-O 2.87Å; S176-K322 PolarHBondContact O-N 2.64Å |
| 177 | V | 96.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.1 | -174.5 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | C166 V299 A301 C319 V321 | C166-V177 HydrophobicContact CB-CG1 4.19Å; V177-V299 HydrophobicContact CG2-CB 4.48Å; V177-V299 HydrophobicContact CG2-CG1 3.82Å; V177-A301 HydrophobicContact CB-CB 3.8Å; V177-A301 HydrophobicContact CG1-CB 3.57Å; V177-A301 HydrophobicContact CG2-CB 4.3Å; V177-C319 WeakPolarHBondContact CG1-SG 3.28Å; V177-V321 HydrophobicContact CG1-CG2 4.5Å; V177-V321 HydrophobicContact CG2-CG2 4.26Å |
| 178 | Y | 95.6 | Very high | 93.8 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.5 | 179.6 | -57.5 | -85.3 | 0 | 0 | 0 | 110 | L185 C319 E320 K322 | Y178-L185 HydrophobicContact CD1-CD1 4.23Å; Y178-L185 HydrophobicContact CG-CD1 4.33Å; Y178-C319 CarbonylContact O-C 3.56Å; Y178-C319 WeakPolarHBondContact O-CA 3.46Å; Y178-E320 PolarHBondContact N-O 3.48Å; Y178-E320 PolarHBondContact O-N 3.09Å; Y178-K322 HydrophobicContact CD2-CD 4.32Å; Y178-K322 HydrophobicContact CD2-CG 4.35Å; Y178-K322 HydrophobicContact CE2-CB 4.32Å; Y178-K322 HydrophobicContact CE2-CD 3.81Å; Y178-K322 HydrophobicContact CE2-CG 4.08Å |
| 179 | F | 96.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.1 | 173.2 | -71.4 | -89.6 | 0 | 0 | 0 | 110.3 | L164 C166 I186 F285 A301 L303 S318 C319 | L164-F179 HydrophobicContact CB-CE1 4.14Å; C166-F179 HydrophobicContact CB-CE1 3.96Å; C166-F179 HydrophobicContact CB-CZ 3.65Å; F179-I186 HydrophobicContact CB-CD1 3.97Å; F179-I186 PolarHBondContact O-N 3.5Å; F179-F285 HydrophobicContact CD2-CD2 4.11Å; F179-F285 HydrophobicContact CD2-CE2 4.05Å; F179-F285 HydrophobicContact CE2-CD2 4.17Å; F179-F285 AromaticContact CE2-CE2 3.96Å; F179-F285 HydrophobicContact CE2-CE2 3.96Å; F179-A301 HydrophobicContact CE2-CB 3.95Å; F179-A301 HydrophobicContact CZ-CB 4.39Å; F179-L303 HydrophobicContact CB-CD2 3.86Å; F179-L303 HydrophobicContact CD1-CB 4.26Å; F179-L303 HydrophobicContact CD1-CD2 4.03Å; F179-L303 HydrophobicContact CD2-CB 3.84Å; F179-L303 HydrophobicContact CD2-CD1 4.31Å; F179-L303 HydrophobicContact CD2-CD2 4.36Å; F179-L303 HydrophobicContact CD2-CG 4.4Å; F179-L303 HydrophobicContact CE1-CB 4.19Å; F179-L303 HydrophobicContact CE2-CB 3.77Å; F179-L303 HydrophobicContact CG-CB 4.08Å; F179-L303 HydrophobicContact CG-CD2 3.84Å; F179-L303 HydrophobicContact CG-CG 4.37Å; F179-L303 HydrophobicContact CZ-CB 3.94Å; F179-S318 CarbonylContact C-O 3.59Å; F179-S318 WeakPolarHBondContact CA-O 3.44Å; F179-C319 HydrophobicContact CE1-CB 4.38Å |
| 180 | K | 94.9 | Very high | 92.8 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.4 | 170.6 | -54.8 | 174.1 | 167.6 | 170.9 | 0 | 110.8 | E184 L185 F317 S318 E320 | K180-E184 CarbonylContact C-O 3.52Å; K180-E184 WeakPolarHBondContact CA-O 3.28Å; K180-E184 WeakPolarHBondContact CB-O 3.5Å; K180-L185 HydrophobicContact CG-CD1 4.39Å; K180-F317 WeakPolarHBondContact O-CA 3.16Å; K180-S318 WeakPolarHBondContact CB-OG 3.24Å; K180-S318 PolarHBondContact N-O 2.93Å; K180-S318 PolarHBondContact O-N 2.77Å; K180-E320 WeakPolarHBondContact CE-OE2 3.37Å; K180-E320 IonicContact NZ-OE2 2.7Å; K180-E320 PolarHBondContact NZ-OE2 3.18Å |
| 181 | R | 93.8 | Very high | 91.6 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.9 | 169.5 | 177.3 | 179.8 | -177.8 | 140.9 | 10.2 | 107.8 | G183 E184 I186 Y283 L311 D312 L316 F317 | R181-G183 PolarHBondContact O-N 2.95Å; R181-E184 PolarHBondContact N-O 2.78Å; R181-E184 PolarHBondContact O-N 2.84Å; R181-I186 HydrophobicContact CB-CD1 3.93Å; R181-I186 HydrophobicContact CB-CG1 3.9Å; R181-Y283 PolarHBondContact NH1-OH 2.84Å; R181-L311 PolarHBondContact NH2-O 2.79Å; R181-D312 IonicContact CZ-OD1 3.26Å; R181-D312 VanDerWaalsContact CZ-OD1 3.26Å; R181-D312 IonicContact NH1-OD1 3.49Å; R181-D312 PolarHBondContact NH1-OD1 2.89Å; R181-D312 IonicContact NH2-OD1 2.83Å; R181-D312 PolarHBondContact NH2-OD1 3.04Å; R181-L316 CarbonylContact C-O 3.54Å; R181-L316 WeakPolarHBondContact CA-O 3.38Å; R181-F317 HydrophobicContact CB-CE1 4.37Å; R181-F317 HydrophobicContact CG-CZ 4.41Å |
| 182 | D | 91 | Very high | 89.7 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 31.4 | 178 | -52.9 | -48.1 | 0 | 0 | 0 | 113.6 | L316 | D182-L316 PolarHBondContact N-O 3.26Å; D182-L316 PolarHBondContact OD1-N 2.93Å |
| 183 | G | 90.1 | Very high | 87.4 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -11.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R181 | R181-G183 PolarHBondContact O-N 2.95Š|
| 184 | E | 92.6 | Very high | 84.7 | Confident | 153 Ų | 153 | 74.7 Ų | 74.7 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.6 | 179.1 | -171.8 | 172.5 | -172.5 | 0 | 0 | 112.2 | K180 R181 I186 | K180-E184 CarbonylContact C-O 3.52Å; K180-E184 WeakPolarHBondContact CA-O 3.28Å; K180-E184 WeakPolarHBondContact CB-O 3.5Å; R181-E184 PolarHBondContact N-O 2.78Å; R181-E184 PolarHBondContact O-N 2.84Å; E184-I186 PolarHBondContact O-N 2.81Å |
| 185 | L | 92.5 | Very high | 81.8 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 52% | 0.518 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.7 | 179.2 | -169.3 | 76.2 | 0 | 0 | 0 | 111 | Y178 K180 | Y178-L185 HydrophobicContact CD1-CD1 4.23Å; Y178-L185 HydrophobicContact CG-CD1 4.33Å; K180-L185 HydrophobicContact CG-CD1 4.39Å |
| 186 | I | 93.1 | Very high | 79.1 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.082 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 129.2 | 179.2 | -61.5 | 176.7 | 0 | 0 | 0 | 110.1 | F179 R181 E184 V188 Y283 L303 F317 | F179-I186 HydrophobicContact CB-CD1 3.97Å; F179-I186 PolarHBondContact O-N 3.5Å; R181-I186 HydrophobicContact CB-CD1 3.93Å; R181-I186 HydrophobicContact CB-CG1 3.9Å; E184-I186 PolarHBondContact O-N 2.81Å; I186-V188 HydrophobicContact CB-CG1 4.45Å; I186-V188 HydrophobicContact CG2-CG1 3.9Å; I186-Y283 HydrophobicContact CD1-CE1 4.27Å; I186-Y283 HydrophobicContact CG2-CD1 3.89Å; I186-Y283 HydrophobicContact CG2-CD2 3.22Å; I186-Y283 HydrophobicContact CG2-CE1 4.32Å; I186-Y283 HydrophobicContact CG2-CE2 3.69Å; I186-Y283 HydrophobicContact CG2-CG 3.32Å; I186-L303 HydrophobicContact CD1-CD2 3.71Å; I186-L303 HydrophobicContact CG2-CD1 4.49Å; I186-F317 HydrophobicContact CD1-CD1 4.04Å; I186-F317 HydrophobicContact CD1-CE1 3.89Å |
| 187 | E | 90.4 | Very high | 76.4 | Confident | 181 Ų | 181 | 85 Ų | 85 | 85% | 0.846 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 123.6 | 168.2 | -65.9 | -169.4 | 173.8 | 0 | 0 | 110.2 | ||
| 188 | V | 91.6 | Very high | 73.6 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.2 | -171.8 | -63.5 | 0 | 0 | 0 | 0 | 113.3 | I186 Y283 F285 L303 | I186-V188 HydrophobicContact CB-CG1 4.45Å; I186-V188 HydrophobicContact CG2-CG1 3.9Å; V188-Y283 WeakPolarHBondContact CA-O 3.41Å; V188-F285 HydrophobicContact CB-CB 3.56Å; V188-F285 HydrophobicContact CB-CG 4.47Å; V188-F285 HydrophobicContact CG1-CB 3.93Å; V188-F285 HydrophobicContact CG2-CB 3.67Å; V188-F285 HydrophobicContact CG2-CG 4.14Å; V188-L303 HydrophobicContact CG1-CD1 3.72Å |
| 189 | I | 90.3 | Very high | 70.7 | Confident | 51 Ų | 51 | 99.5 Ų | 99.5 | 26% | 0.262 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 110.5 | 169.1 | -57.5 | 168.4 | 0 | 0 | 0 | 107.7 | L282 Y283 Y284 F285 | I189-L282 HydrophobicContact CD1-CB 4.44Å; I189-L282 HydrophobicContact CD1-CD2 4.34Å; I189-Y283 PolarHBondContact N-O 2.98Å; I189-Y284 HydrophobicContact CB-CD1 3.85Å; I189-Y284 HydrophobicContact CB-CE1 4.18Å; I189-Y284 HydrophobicContact CD1-CD1 4.24Å; I189-Y284 HydrophobicContact CD1-CE1 3.79Å; I189-Y284 HydrophobicContact CG2-CD1 4.04Å; I189-Y284 HydrophobicContact CG2-CE1 4.17Å; I189-Y284 WeakPolarHBondContact O-CA 3.34Å; I189-F285 PolarHBondContact O-N 2.9Å |
| 190 | S | 81.8 | Confident | 67.7 | Low | 36 Ų | 36 | 103.8 Ų | 103.8 | 25% | 0.252 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.7 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | F285 | S190-F285 WeakPolarHBondContact CA-O 3.32Å |
| 191 | Y | 65.6 | Low | 64.7 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 50% | 0.502 | 59% | 0.589 | S | S | . | * | trans | -99.5 | 109.3 | 164.8 | -69.1 | -72.7 | 0 | 0 | 0 | 110 | Y284 F285 | Y191-Y284 HydrophobicContact CD2-CD1 4.13Å; Y191-Y284 AromaticContact CE2-CD1 3.18Å; Y191-Y284 HydrophobicContact CE2-CD1 3.18Å; Y191-Y284 AromaticContact CE2-CE1 3.84Å; Y191-Y284 HydrophobicContact CE2-CE1 3.84Å; Y191-Y284 AromaticContact CE2-CG 3.8Å; Y191-Y284 HydrophobicContact CE2-CG 3.8Å; Y191-Y284 AromaticContact CZ-CD1 3.72Å; Y191-Y284 AromaticContact CZ-CE1 3.89Å; Y191-Y284 VanDerWaalsContact OH-CE1 3.24Å; Y191-Y284 WeakPolarHBondContact OH-CE1 3.36Å; Y191-F285 PolarHBondContact N-O 2.83Å | ||
| 192 | T | 53.9 | Low | 61.8 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | trans | -91.9 | 108.5 | 159.7 | 43.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 193 | E | 46.6 | Very low | 59.3 | Low | 184 Ų | 184 | 109 Ų | 109 | 86% | 0.86 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.1 | 166.2 | -76.8 | -172.7 | 158.8 | 0 | 0 | 108.7 | S195 | E193-S195 PolarHBondContact O-N 3.43Š|
| 194 | P | 35.3 | Very low | 56.6 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.6 | 172.8 | 24.6 | -29.7 | 0 | 0 | 0 | 109 | ||
| 195 | S | 34.2 | Very low | 53.7 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 140 | 173.4 | 49.9 | 0 | 0 | 0 | 0 | 111 | E193 S197 | E193-S195 PolarHBondContact O-N 3.43Å; S195-S197 PolarHBondContact O-N 2.84Å |
| 196 | T | 39.4 | Very low | 51 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 32 | -174.4 | 49.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 197 | S | 39.3 | Very low | 48.3 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -5.4 | 175 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | S195 | S195-S197 PolarHBondContact O-N 2.84Š|
| 198 | E | 36.7 | Very low | 45.6 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | -111.5 | 39.7 | -178.3 | -67.3 | -174.3 | 166.4 | 0 | 0 | 113.5 | A200 | E198-A200 VanDerWaalsContact C-N 3.28Š| ||
| 199 | R | 34.8 | Very low | 42.8 | Very low | 225 Ų | 225 | 120.7 Ų | 120.7 | 85% | 0.849 | 72% | 0.716 | S | S | * | * | trans | -89 | 14 | 169.9 | -81.6 | -174.1 | -178.2 | 151.6 | 2.2 | 114.1 | ||||
| 200 | A | 34.4 | Very low | 40.4 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -128.9 | 51.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E198 | E198-A200 VanDerWaalsContact C-N 3.28Š|
| 201 | A | 32.1 | Very low | 38.2 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -153.6 | 128.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 202 | G | 31.5 | Very low | 37 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -66 | 158.3 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A204 | G202-A204 PolarHBondContact O-N 3.08Š| ||
| 203 | S | 39.4 | Very low | 36.5 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | 3 | 102.2 | 157.2 | -61.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 204 | A | 32.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -158.6 | 110.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G202 | G202-A204 PolarHBondContact O-N 3.08Š| ||
| 205 | G | 31.3 | Very low | 36.8 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 56 | 103.2 | 146 | 0 | 0 | 0 | 0 | 0 | 119.3 | R207 | G205-R207 PolarHBondContact O-N 2.71Å; G205-R207 VanDerWaalsContact O-N 3.08Å | ||
| 206 | W | 36.2 | Very low | 37.4 | Very low | 266 Ų | 266 | 136.4 Ų | 136.4 | 100% | 1.008 | 77% | 0.772 | S | S | * | * | trans | -47 | 112.8 | 157.2 | -114.9 | -37.1 | 0 | 0 | 0 | 110.5 | ||||
| 207 | R | 35.8 | Very low | 37.8 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -112.6 | 124 | 155 | -80 | -151.7 | -73.3 | -103.5 | 1.2 | 108.1 | G205 | G205-R207 PolarHBondContact O-N 2.71Å; G205-R207 VanDerWaalsContact O-N 3.08Å | ||
| 208 | G | 34.4 | Very low | 38 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -56.9 | 157.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R210 | G208-R210 PolarHBondContact O-N 3.26Å; G208-R210 VanDerWaalsContact O-N 3.16Å | ||
| 209 | A | 33.3 | Very low | 38.4 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | trans | -43.3 | 117.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 210 | R | 40.4 | Very low | 39.1 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -89.9 | 128.9 | 164.4 | -71.2 | -175.8 | 172.7 | -135.8 | -2.5 | 106.9 | G208 L212 | G208-R210 PolarHBondContact O-N 3.26Å; G208-R210 VanDerWaalsContact O-N 3.16Å; R210-L212 PolarHBondContact O-N 2.88Å | ||
| 211 | P | 35.1 | Very low | 39.3 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 54% | 0.539 | 75% | 0.753 | S | S | . | * | trans | -63.7 | 119.3 | 169.2 | 25.9 | -29.7 | 0 | 0 | 0 | 107.8 | I213 | P211-I213 VanDerWaalsContact C-N 3.3Å; P211-I213 PolarHBondContact O-N 2.83Å | ||
| 212 | L | 40.4 | Very low | 40 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -77 | 90.7 | 169.1 | -69.5 | 175.2 | 0 | 0 | 0 | 106.7 | R210 S214 | R210-L212 PolarHBondContact O-N 2.88Å; L212-S214 PolarHBondContact O-N 2.82Å | ||
| 213 | I | 43.1 | Very low | 40.2 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -59.9 | 120.1 | 172.4 | -63.1 | 166 | 0 | 0 | 0 | 107.1 | P211 R215 | P211-I213 VanDerWaalsContact C-N 3.3Å; P211-I213 PolarHBondContact O-N 2.83Å; I213-R215 PolarHBondContact O-N 2.02Å | ||
| 214 | S | 40.8 | Very low | 40 | Very low | 91 Ų | 91 | 143 Ų | 143 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -54.2 | 119.8 | 174.5 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | L212 D216 | L212-S214 PolarHBondContact O-N 2.82Å; S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.77Å | ||
| 215 | R | 48.1 | Very low | 40.3 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -78.7 | 78.5 | -172 | -178.4 | 167.1 | 167.5 | 148.8 | -5.5 | 109.8 | I213 | I213-R215 PolarHBondContact O-N 2.02Š|
| 216 | D | 45.6 | Very low | 40.8 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -163.4 | 82.5 | 156.3 | -93.9 | -27.5 | 0 | 0 | 0 | 108 | S214 | S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.77Å | ||
| 217 | L | 47.6 | Very low | 40.8 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | trans | -129.1 | 129.5 | 173.5 | -119.4 | 94.4 | 0 | 0 | 0 | 110.1 | ||||
| 218 | D | 43.6 | Very low | 41.2 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | trans | -40.7 | 132.4 | 175.9 | -100.8 | -34.4 | 0 | 0 | 0 | 114 | T220 K221 | D218-T220 PolarHBondContact O-N 2.97Å; D218-K221 PolarHBondContact O-N 3.25Å | ||
| 219 | E | 45.7 | Very low | 41.4 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -58.1 | -20.4 | -175.7 | -72.9 | -177.1 | 146.5 | 0 | 0 | 114.2 | K221 L222 | E219-K221 VanDerWaalsContact C-N 3.34Å; E219-K221 PolarHBondContact O-N 3.47Å; E219-L222 PolarHBondContact O-N 2.7Å |
| 220 | T | 49.5 | Very low | 41.2 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -77.1 | -15.1 | -177.1 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | D218 | D218-T220 PolarHBondContact O-N 2.97Š|
| 221 | K | 38.9 | Very low | 41.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -96.6 | -13 | 176.3 | -69.3 | -171.7 | 179.3 | 179.3 | 0 | 113.7 | D218 E219 | D218-K221 PolarHBondContact O-N 3.25Å; E219-K221 VanDerWaalsContact C-N 3.34Å; E219-K221 PolarHBondContact O-N 3.47Å |
| 222 | L | 46.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 50% | 0.497 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -77.9 | -27.2 | -175.5 | -139.9 | 145.9 | 0 | 0 | 0 | 112.5 | E219 R224 S225 L226 | E219-L222 PolarHBondContact O-N 2.7Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.59Å; L222-S225 PolarHBondContact O-N 2.97Å; L222-S225 PolarHBondContact O-OG 3.16Å; L222-S225 VanDerWaalsContact O-OG 3.08Å; L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.36Å |
| 223 | Q | 35.2 | Very low | 41.3 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -70 | -22.4 | 178.5 | -101.2 | 157.9 | -50.2 | 0 | 0 | 114.1 | S227 | Q223-S227 PolarHBondContact O-OG 3.41Š|
| 224 | R | 35 | Very low | 40.5 | Very low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -82.1 | -23.8 | -179.3 | -145.4 | -173.3 | -75.2 | 174.9 | -3.8 | 112.9 | L222 | L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.59Å |
| 225 | S | 39.7 | Very low | 39.9 | Very low | 77 Ų | 77 | 144 Ų | 144 | 54% | 0.538 | 74% | 0.743 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -23.2 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | L222 | L222-S225 PolarHBondContact O-N 2.97Å; L222-S225 PolarHBondContact O-OG 3.16Å; L222-S225 VanDerWaalsContact O-OG 3.08Å |
| 226 | L | 42.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 58% | 0.576 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -82.3 | -12.3 | 178.7 | -76.2 | 166.3 | 0 | 0 | 0 | 114.2 | L222 L228 | L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.36Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.98Å |
| 227 | S | 35.3 | Very low | 38.1 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -82.1 | -3.4 | -179.6 | -33.8 | 0 | 0 | 0 | 0 | 114.6 | Q223 | Q223-S227 PolarHBondContact O-OG 3.41Š|
| 228 | L | 43.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -101.1 | 7.2 | 179.6 | -86.5 | 169.4 | 0 | 0 | 0 | 114 | L226 | L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.98Å |
| 229 | L | 40 | Very low | 36.4 | Very low | 139 Ų | 139 | 147 Ų | 147 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | trans | -116.2 | 86.5 | 177.2 | -72.3 | 163.1 | 0 | 0 | 0 | 109 | ||||
| 230 | D | 27.7 | Very low | 35.7 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -80.2 | 134.7 | 159 | -150.2 | 12.5 | 0 | 0 | 0 | 108.4 | ||||
| 231 | P | 44.7 | Very low | 34.5 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -101.2 | 94.8 | -169.8 | 35.3 | -24.1 | 0 | 0 | 0 | 110.4 | ||||
| 232 | E | 29.6 | Very low | 34.2 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -146.2 | 96.4 | 161.6 | -108.5 | 151.8 | -152.6 | 0 | 0 | 110.7 | R234 | E232-R234 PolarHBondContact O-N 3.21Š| ||
| 233 | G | 43.8 | Very low | 33.5 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -69.2 | 120.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 234 | R | 26.6 | Very low | 33.1 | Very low | 247 Ų | 247 | 150.1 Ų | 150.1 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -139.4 | 116.5 | 151.9 | -72.9 | -169.8 | 173.8 | 177 | -1.1 | 110 | E232 | E232-R234 PolarHBondContact O-N 3.21Š| ||
| 235 | S | 29 | Very low | 32.8 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 119.6 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 236 | A | 26.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101 | 116.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 237 | R | 29.2 | Very low | 31.3 | Very low | 216 Ų | 216 | 157.6 Ų | 157.6 | 82% | 0.815 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 132.3 | 176 | -69.8 | 176 | 173.8 | 169.8 | -2.4 | 110.1 | ||
| 238 | L | 28.2 | Very low | 31 | Very low | 176 Ų | 176 | 158.3 Ų | 158.3 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.9 | 166.8 | -80.1 | 153.8 | 0 | 0 | 0 | 109.3 | ||
| 239 | Y | 27.3 | Very low | 30.1 | Very low | 205 Ų | 205 | 160.6 Ų | 160.6 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 123 | 164.5 | -90.4 | -94.9 | 0 | 0 | 0 | 108.7 | ||
| 240 | T | 30.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 87% | 0.871 | 84% | 0.842 | S | S | * | * | trans | -96 | 115.7 | 161 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 241 | E | 24.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -124.7 | 113.4 | 168.3 | -163 | 172.5 | -172.4 | 0 | 0 | 109.3 | ||||
| 242 | S | 32.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 161.7 Ų | 161.7 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 128.3 | 171.3 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 243 | P | 32 | Very low | 28.6 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 131 | 174.8 | 28.7 | -18.6 | 0 | 0 | 0 | 112.6 | ||
| 244 | Q | 26.4 | Very low | 27.8 | Very low | 186 Ų | 186 | 164 Ų | 164 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 158.3 | 167.1 | -91.9 | -109.3 | -29.3 | 0 | 0 | 111.9 | ||
| 245 | R | 28.7 | Very low | 28.1 | Very low | 239 Ų | 239 | 160.9 Ų | 160.9 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.4 | 173.7 | -73.4 | 173.6 | 171.2 | 167.2 | -3.2 | 113.2 | ||
| 246 | V | 25.6 | Very low | 28.2 | Very low | 149 Ų | 149 | 161.1 Ų | 161.1 | 90% | 0.903 | 84% | 0.838 | S | S | * | * | trans | -133.4 | 149.5 | 154 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 247 | H | 26.8 | Very low | 28.3 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | trans | -78 | 163.2 | -165.5 | -143.5 | 45.9 | 0 | 0 | 0 | 114.6 | ||||
| 248 | T | 27.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 69% | 0.693 | 84% | 0.835 | S | S | * | * | trans | -52 | 146.8 | -175.9 | 34.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 249 | Q | 25.1 | Very low | 28.8 | Very low | 204 Ų | 204 | 153.6 Ų | 153.6 | 95% | 0.953 | 83% | 0.829 | S | S | * | * | -176.7 | 134.6 | 112.9 | -110.6 | -175.8 | -3.5 | 0 | 0 | 112.2 | |||||
| 250 | G | 26.2 | Very low | 29.7 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | 151.2 | 100.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 251 | Q | 27.3 | Very low | 30 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | trans | -36.5 | 156.9 | 167.8 | -72.5 | 153.7 | -50 | 0 | 0 | 114.8 | ||||
| 252 | Q | 27.3 | Very low | 30.7 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | cis | -167.4 | 162.1 | 18.3 | -123.7 | 158.4 | -10 | 0 | 0 | 108.6 | ||||
| 253 | A | 29.4 | Very low | 31 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -64.7 | 149.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 254 | Y | 27.5 | Very low | 31.3 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -156.1 | 128.1 | 136.7 | -134.6 | -96.7 | 0 | 0 | 0 | 111.2 | ||||
| 255 | E | 33.8 | Very low | 32.2 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 149.1 | 174.2 | -89.7 | 169.9 | 133.2 | 0 | 0 | 113.1 | ||||
| 256 | P | 30.2 | Very low | 33 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -112.9 | 127.8 | 153.1 | 21.3 | -3.5 | 0 | 0 | 0 | 112.5 | ||||
| 257 | S | 29.3 | Very low | 33.7 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -59 | 160.6 | 167.3 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | A259 | S257-A259 PolarHBondContact O-N 2.75Š| ||
| 258 | P | 37.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 112.1 | -168.4 | 33.3 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 259 | A | 31.1 | Very low | 35.3 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -101 | 121.8 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | S257 E261 | S257-A259 PolarHBondContact O-N 2.75Å; A259-E261 PolarHBondContact O-N 2.83Å | ||
| 260 | T | 44.9 | Very low | 36.5 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -64 | 110 | -175.4 | -30.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | E | 36.5 | Very low | 37.7 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -94.4 | 113.7 | 169.3 | -156.2 | 171.6 | -164.4 | 0 | 0 | 108.7 | A259 I263 | A259-E261 PolarHBondContact O-N 2.83Å; E261-I263 PolarHBondContact O-N 2.87Å | ||
| 262 | V | 39 | Very low | 38.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -66.2 | 108.4 | -179.6 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | P264 | V262-P264 WeakPolarHBondContact O-CD 3.38Š| ||
| 263 | I | 39.3 | Very low | 39.4 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -71.7 | 121.3 | 169.3 | -59.2 | 162.4 | 0 | 0 | 0 | 107 | E261 E265 | E261-I263 PolarHBondContact O-N 2.87Å; I263-E265 PolarHBondContact O-N 3.3Å | ||
| 264 | P | 38.7 | Very low | 40.4 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 119.8 | 168.5 | 27 | -28.4 | 0 | 0 | 0 | 107.8 | V262 T266 | V262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-T266 PolarHBondContact O-N 3.27Å | ||
| 265 | E | 45 | Very low | 41.7 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -63.1 | 79 | 165.2 | -68 | -172.4 | 163.9 | 0 | 0 | 108.8 | I263 V267 | I263-E265 PolarHBondContact O-N 3.3Å; E265-V267 PolarHBondContact O-N 3.33Å | ||
| 266 | T | 45.4 | Very low | 42.5 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -68.1 | 96.7 | 151.8 | 54.7 | 0 | 0 | 0 | 0 | 104.9 | P264 V268 | P264-T266 PolarHBondContact O-N 3.27Å; T266-V268 PolarHBondContact O-N 3.19Å | ||
| 267 | V | 41.1 | Very low | 43.9 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -47.6 | 92 | 159.4 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | E265 S269 | E265-V267 PolarHBondContact O-N 3.33Å; V267-S269 PolarHBondContact O-N 3.03Å | ||
| 268 | V | 43.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -64.3 | 95.8 | 162.1 | 177.4 | 0 | 0 | 0 | 0 | 102.8 | T266 R270 | T266-V268 PolarHBondContact O-N 3.19Å; V268-R270 PolarHBondContact O-N 2.81Å | ||
| 269 | S | 44.4 | Very low | 46.5 | Very low | 57 Ų | 57 | 137.4 Ų | 137.4 | 40% | 0.399 | 72% | 0.723 | S | S | . | * | trans | -47 | 121 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 106.2 | V267 E271 | V267-S269 PolarHBondContact O-N 3.03Å; S269-E271 WeakPolarHBondContact CB-OE1 3.36Å; S269-E271 PolarHBondContact O-N 2.82Å; S269-E271 VanDerWaalsContact OG-CD 3.31Å; S269-E271 VanDerWaalsContact OG-CG 3.26Å; S269-E271 WeakPolarHBondContact OG-CG 3.33Å; S269-E271 PolarHBondContact OG-OE1 3.07Å | ||
| 270 | R | 50 | Low | 48.5 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | -69.3 | 36.9 | 170.9 | -77.5 | -179.1 | 161.9 | -159.7 | -2.1 | 110.9 | V268 F272 | V268-R270 PolarHBondContact O-N 2.81Å; R270-F272 PolarHBondContact O-N 3.44Å | ||
| 271 | E | 51.2 | Low | 50.3 | Low | 137 Ų | 137 | 133.7 Ų | 133.7 | 64% | 0.64 | 69% | 0.687 | S | S | * | * | trans | -78.8 | 99.2 | 164.3 | 52.6 | -160.3 | 148.4 | 0 | 0 | 106.8 | S269 | S269-E271 WeakPolarHBondContact CB-OE1 3.36Å; S269-E271 PolarHBondContact O-N 2.82Å; S269-E271 VanDerWaalsContact OG-CD 3.31Å; S269-E271 VanDerWaalsContact OG-CG 3.26Å; S269-E271 WeakPolarHBondContact OG-CG 3.33Å; S269-E271 PolarHBondContact OG-OE1 3.07Å | ||
| 272 | F | 44.4 | Very low | 52.8 | Low | 183 Ų | 183 | 130.3 Ų | 130.3 | 80% | 0.803 | 67% | 0.674 | S | S | * | * | trans | -35.2 | 136.3 | 172.8 | -68.2 | -96.2 | 0 | 0 | 0 | 111.2 | R270 R274 | R270-F272 PolarHBondContact O-N 3.44Å; F272-R274 PolarHBondContact O-N 2.85Å | ||
| 273 | P | 45.9 | Very low | 55.4 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | trans | -58.9 | 105.9 | 178.3 | 23.3 | -31.4 | 0 | 0 | 0 | 108.8 | W275 | P273-W275 PolarHBondContact O-N 2.8Š| ||
| 274 | R | 50.1 | Low | 58 | Low | 220 Ų | 220 | 121.9 Ų | 121.9 | 83% | 0.83 | 62% | 0.619 | S | S | * | * | trans | -70.2 | 115.3 | 165.6 | -67.1 | -171.8 | -149.7 | 154.8 | 9.5 | 105.6 | F272 V276 | F272-R274 PolarHBondContact O-N 2.85Å; R274-V276 PolarHBondContact O-N 2.86Å | ||
| 275 | W | 53.8 | Low | 60.6 | Low | 207 Ų | 207 | 118.6 Ų | 118.6 | 78% | 0.784 | 60% | 0.595 | S | S | * | * | trans | -56.9 | 115.4 | 167.8 | -71.1 | 96.1 | 0 | 0 | 0 | 108 | P273 H277 | P273-W275 PolarHBondContact O-N 2.8Å; W275-H277 PolarHBondContact O-N 3.35Å; W275-H277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | V | 52.1 | Low | 63 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 84% | 0.836 | 57% | 0.568 | S | S | * | * | trans | -74.5 | 97.9 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 105.1 | R274 S278 | R274-V276 PolarHBondContact O-N 2.86Å; V276-S278 PolarHBondContact O-N 2.78Å | ||
| 277 | H | 58.7 | Low | 65.2 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | trans | -58.7 | 126.8 | 170.4 | -67.7 | -83 | 0 | 0 | 0 | 107.8 | W275 T279 N308 | W275-H277 PolarHBondContact O-N 3.35Å; W275-H277 VanDerWaalsContact O-N 3.08Å; H277-T279 PolarHBondContact O-N 3.04Å; H277-N308 HydrophobicContact CB-CB 4.44Å; H277-N308 WeakPolarHBondContact CB-ND2 3.42Å | ||
| 278 | S | 56.9 | Low | 67.7 | Low | 82 Ų | 82 | 108.1 Ų | 108.1 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | trans | -53.2 | 131.5 | 171.9 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | V276 D280 | V276-S278 PolarHBondContact O-N 2.78Å; S278-D280 PolarHBondContact O-N 2.8Å; S278-D280 PolarHBondContact OG-N 2.89Å; S278-D280 PolarHBondContact OG-O 2.99Å | ||
| 279 | T | 65.2 | Low | 70.2 | Confident | 104 Ų | 104 | 107.7 Ų | 107.7 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -64.2 | -25.1 | 173.3 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | H277 P281 | H277-T279 PolarHBondContact O-N 3.04Å; T279-P281 WeakPolarHBondContact O-CD 3.41Å |
| 280 | D | 72.2 | Confident | 72.6 | Confident | 122 Ų | 122 | 108.9 Ų | 108.9 | 65% | 0.652 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -110.4 | 101.4 | -178.6 | -55.4 | -21.1 | 0 | 0 | 0 | 108.9 | S278 | S278-D280 PolarHBondContact O-N 2.8Å; S278-D280 PolarHBondContact OG-N 2.89Å; S278-D280 PolarHBondContact OG-O 2.99Å |
| 281 | P | 82.7 | Confident | 74.6 | Confident | 36 Ų | 36 | 102.5 Ų | 102.5 | 23% | 0.234 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -74 | 139.9 | 175.8 | 27.8 | -31.9 | 0 | 0 | 0 | 110.9 | T279 Y283 | T279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-Y283 HydrophobicContact CB-CE2 4.3Å; P281-Y283 HydrophobicContact CG-CE2 3.64Å; P281-Y283 WeakPolarHBondContact CG-OH 3.46Å; P281-Y283 WeakPolarHBondContact O-CD2 3.44Å |
| 282 | L | 89.8 | Confident | 76.6 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 123.4 | 170.4 | -64.4 | 175.6 | 0 | 0 | 0 | 109.5 | I189 Y284 W305 | I189-L282 HydrophobicContact CD1-CB 4.44Å; I189-L282 HydrophobicContact CD1-CD2 4.34Å; L282-Y284 HydrophobicContact CB-CE2 4.39Å; L282-W305 WeakPolarHBondContact O-CB 3.38Å |
| 283 | Y | 92.5 | Very high | 78.7 | Confident | 19 Ų | 19 | 97.5 Ų | 97.5 | 8% | 0.075 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.1 | 178.8 | -66.2 | -82.4 | 0 | 0 | 0 | 111.2 | R181 I186 V188 I189 P281 L303 W305 F317 | R181-Y283 PolarHBondContact NH1-OH 2.84Å; I186-Y283 HydrophobicContact CD1-CE1 4.27Å; I186-Y283 HydrophobicContact CG2-CD1 3.89Å; I186-Y283 HydrophobicContact CG2-CD2 3.22Å; I186-Y283 HydrophobicContact CG2-CE1 4.32Å; I186-Y283 HydrophobicContact CG2-CE2 3.69Å; I186-Y283 HydrophobicContact CG2-CG 3.32Å; V188-Y283 WeakPolarHBondContact CA-O 3.41Å; I189-Y283 PolarHBondContact N-O 2.98Å; P281-Y283 HydrophobicContact CB-CE2 4.3Å; P281-Y283 HydrophobicContact CG-CE2 3.64Å; P281-Y283 WeakPolarHBondContact CG-OH 3.46Å; P281-Y283 WeakPolarHBondContact O-CD2 3.44Å; Y283-L303 HydrophobicContact CD1-CD1 3.97Å; Y283-L303 HydrophobicContact CD1-CD2 3.97Å; Y283-L303 HydrophobicContact CD1-CG 3.99Å; Y283-L303 HydrophobicContact CE1-CD2 4.32Å; Y283-L303 HydrophobicContact CG-CD1 4.29Å; Y283-W305 HydrophobicContact CD1-CB 3.66Å; Y283-W305 HydrophobicContact CD1-CD2 4.07Å; Y283-W305 HydrophobicContact CD1-CE3 4.08Å; Y283-W305 AromaticContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CE1-CB 3.86Å; Y283-W305 AromaticContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CE3 4.01Å; Y283-W305 AromaticContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CG-CB 4.4Å; Y283-F317 HydrophobicContact CE1-CE1 4.22Å |
| 284 | Y | 93.9 | Very high | 80.6 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 30% | 0.302 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.8 | 174.8 | -61.1 | -76.6 | 0 | 0 | 0 | 109.9 | I189 Y191 L282 L303 T304 | I189-Y284 HydrophobicContact CB-CD1 3.85Å; I189-Y284 HydrophobicContact CB-CE1 4.18Å; I189-Y284 HydrophobicContact CD1-CD1 4.24Å; I189-Y284 HydrophobicContact CD1-CE1 3.79Å; I189-Y284 HydrophobicContact CG2-CD1 4.04Å; I189-Y284 HydrophobicContact CG2-CE1 4.17Å; I189-Y284 WeakPolarHBondContact O-CA 3.34Å; Y191-Y284 HydrophobicContact CD2-CD1 4.13Å; Y191-Y284 AromaticContact CE2-CD1 3.18Å; Y191-Y284 HydrophobicContact CE2-CD1 3.18Å; Y191-Y284 AromaticContact CE2-CE1 3.84Å; Y191-Y284 HydrophobicContact CE2-CE1 3.84Å; Y191-Y284 AromaticContact CE2-CG 3.8Å; Y191-Y284 HydrophobicContact CE2-CG 3.8Å; Y191-Y284 AromaticContact CZ-CD1 3.72Å; Y191-Y284 AromaticContact CZ-CE1 3.89Å; Y191-Y284 VanDerWaalsContact OH-CE1 3.24Å; Y191-Y284 WeakPolarHBondContact OH-CE1 3.36Å; L282-Y284 HydrophobicContact CB-CE2 4.39Å; Y284-L303 CarbonylContact O-C 3.53Å; Y284-L303 WeakPolarHBondContact O-CA 3.48Å; Y284-T304 PolarHBondContact N-O 2.83Å; Y284-T304 PolarHBondContact O-N 2.85Å |
| 285 | F | 94.7 | Very high | 82.3 | Confident | 29 Ų | 29 | 87.3 Ų | 87.3 | 13% | 0.127 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.5 | -179.2 | 178.5 | -93.3 | 0 | 0 | 0 | 110.8 | F179 V188 I189 S190 Y191 H287 A301 R302 | F179-F285 HydrophobicContact CD2-CD2 4.11Å; F179-F285 HydrophobicContact CD2-CE2 4.05Å; F179-F285 HydrophobicContact CE2-CD2 4.17Å; F179-F285 AromaticContact CE2-CE2 3.96Å; F179-F285 HydrophobicContact CE2-CE2 3.96Å; V188-F285 HydrophobicContact CB-CB 3.56Å; V188-F285 HydrophobicContact CB-CG 4.47Å; V188-F285 HydrophobicContact CG1-CB 3.93Å; V188-F285 HydrophobicContact CG2-CB 3.67Å; V188-F285 HydrophobicContact CG2-CG 4.14Å; I189-F285 PolarHBondContact O-N 2.9Å; S190-F285 WeakPolarHBondContact CA-O 3.32Å; Y191-F285 PolarHBondContact N-O 2.83Å; F285-H287 HydrophobicContact CE1-CB 4.09Å; F285-H287 HydrophobicContact CZ-CB 4.03Å; F285-A301 HydrophobicContact CE2-CB 3.87Å; F285-A301 HydrophobicContact CZ-CB 4.13Å; F285-R302 WeakPolarHBondContact CA-O 3.26Å |
| 286 | S | 94 | Very high | 84.1 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.3 | 167.4 | 64.6 | 0 | 0 | 0 | 0 | 109.5 | A301 R302 | S286-A301 CarbonylContact O-C 3.57Å; S286-R302 PolarHBondContact N-O 2.88Å; S286-R302 PolarHBondContact O-N 3.18Å |
| 287 | H | 92.4 | Very high | 86.2 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.4 | 174.9 | 69.4 | 170.5 | 0 | 0 | 0 | 111.1 | F285 Q300 A301 | F285-H287 HydrophobicContact CE1-CB 4.09Å; F285-H287 HydrophobicContact CZ-CB 4.03Å; H287-Q300 CarbonylContact C-O 3.6Å; H287-Q300 VanDerWaalsContact CA-O 3.26Å; H287-Q300 WeakPolarHBondContact CA-O 3.46Å; H287-A301 HydrophobicContact CB-CB 4.27Å |
| 288 | T | 94.6 | Very high | 87.9 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143 | 175.9 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | V299 Q300 | T288-V299 WeakPolarHBondContact O-CA 3.37Å; T288-Q300 PolarHBondContact N-O 3.21Å; T288-Q300 PolarHBondContact O-N 3.02Å |
| 289 | Q | 94.7 | Very high | 89.8 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.9 | 178.9 | -60.2 | -175.3 | -2.7 | 0 | 0 | 108.2 | V297 V299 | Q289-V297 HydrophobicContact CB-CG1 3.92Å; Q289-V299 HydrophobicContact CG-CG2 4.32Å |
| 290 | I | 93.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 63 Ų | 63 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.8 | -178.5 | -58.7 | 162.5 | 0 | 0 | 0 | 106.9 | V298 | I290-V298 HydrophobicContact CB-CB 4.34Å; I290-V298 PolarHBondContact N-O 2.95Å; I290-V298 PolarHBondContact O-N 2.99Å |
| 291 | P | 93.6 | Very high | 92.4 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 138 | 178.3 | 29.1 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 292 | Q | 92.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | trans | -104 | 155.2 | -179.8 | -169.2 | 66.7 | 51.2 | 0 | 0 | 110.4 | D294 G295 S296 | Q292-D294 VanDerWaalsContact CB-OD1 3.28Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.32Å; Q292-D294 VanDerWaalsContact CG-OD1 3.31Å; Q292-D294 WeakPolarHBondContact CG-OD1 3.38Å; Q292-D294 PolarHBondContact O-N 2.81Å; Q292-D294 VanDerWaalsContact O-N 3.16Å; Q292-G295 PolarHBondContact O-N 2.89Å; Q292-S296 WeakPolarHBondContact CB-O 3.38Å; Q292-S296 PolarHBondContact N-O 3.23Å | ||
| 293 | S | 88.6 | Confident | 93.3 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 84% | 0.839 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.2 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | G295 | S293-G295 VanDerWaalsContact C-N 3.25Š|
| 294 | D | 85.6 | Confident | 93.4 | Very high | 84 Ų | 84 | 54 Ų | 54 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.2 | 177.4 | 61.4 | 0.2 | 0 | 0 | 0 | 113.1 | I104 Q292 S296 | I104-D294 VanDerWaalsContact CG2-O 3.24Å; I104-D294 WeakPolarHBondContact CG2-O 3.46Å; Q292-D294 VanDerWaalsContact CB-OD1 3.28Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.32Å; Q292-D294 VanDerWaalsContact CG-OD1 3.31Å; Q292-D294 WeakPolarHBondContact CG-OD1 3.38Å; Q292-D294 PolarHBondContact O-N 2.81Å; Q292-D294 VanDerWaalsContact O-N 3.16Å; D294-S296 VanDerWaalsContact C-N 3.31Å; D294-S296 VanDerWaalsContact CG-OG 3.26Å; D294-S296 VanDerWaalsContact OD1-CB 3.24Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 2.66Å; D294-S296 PolarHBondContact OD1-OG 3.05Å; D294-S296 PolarHBondContact OD2-OG 3.21Å |
| 295 | G | 85.3 | Confident | 93.4 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 81.8 | 6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K172 Q292 S293 | K172-G295 WeakPolarHBondContact CD-O 3.48Å; Q292-G295 PolarHBondContact O-N 2.89Å; S293-G295 VanDerWaalsContact C-N 3.25Å |
| 296 | S | 93.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -83.2 | 168.7 | 166.3 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | Q292 D294 | Q292-S296 WeakPolarHBondContact CB-O 3.38Å; Q292-S296 PolarHBondContact N-O 3.23Å; D294-S296 VanDerWaalsContact C-N 3.31Å; D294-S296 VanDerWaalsContact CG-OG 3.26Å; D294-S296 VanDerWaalsContact OD1-CB 3.24Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 2.66Å; D294-S296 PolarHBondContact OD1-OG 3.05Å; D294-S296 PolarHBondContact OD2-OG 3.21Å | ||
| 297 | V | 94.4 | Very high | 93 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.5 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | G171 A174 Q289 V299 | G171-V297 PolarHBondContact N-O 3.46Å; G171-V297 PolarHBondContact O-N 2.84Å; A174-V297 HydrophobicContact CB-CB 4.26Å; A174-V297 HydrophobicContact CB-CG1 4.05Å; Q289-V297 HydrophobicContact CB-CG1 3.92Å; V297-V299 HydrophobicContact CG1-CG2 4.19Å |
| 298 | V | 96.3 | Very high | 92.8 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.9 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | T167 A168 K169 I290 | T167-V298 HydrophobicContact CG2-CG1 3.83Å; A168-V298 CarbonylContact O-C 3.57Å; A168-V298 WeakPolarHBondContact O-CA 3Å; K169-V298 HydrophobicContact CB-CG2 4.36Å; K169-V298 HydrophobicContact CG-CG1 4.01Å; K169-V298 HydrophobicContact CG-CG2 4.13Å; I290-V298 HydrophobicContact CB-CB 4.34Å; I290-V298 PolarHBondContact N-O 2.95Å; I290-V298 PolarHBondContact O-N 2.99Å |
| 299 | V | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.6 | 176.7 | 179 | 0 | 0 | 0 | 0 | 108.7 | T167 A168 A174 P175 V177 T288 Q289 V297 | T167-V299 WeakPolarHBondContact CA-O 3.41Å; A168-V299 PolarHBondContact N-O 3Å; A168-V299 PolarHBondContact O-N 2.83Å; A174-V299 HydrophobicContact CB-CG2 4.14Å; P175-V299 HydrophobicContact CG-CB 4.26Å; P175-V299 HydrophobicContact CG-CG2 3.83Å; V177-V299 HydrophobicContact CG2-CB 4.48Å; V177-V299 HydrophobicContact CG2-CG1 3.82Å; T288-V299 WeakPolarHBondContact O-CA 3.37Å; Q289-V299 HydrophobicContact CG-CG2 4.32Å; V297-V299 HydrophobicContact CG1-CG2 4.19Å |
| 300 | Q | 96.3 | Very high | 92 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.1 | 174.4 | -172.9 | -179.9 | 45.9 | 0 | 0 | 108.8 | V165 C166 H287 T288 | V165-Q300 HydrophobicContact CG1-CG 3.51Å; C166-Q300 CarbonylContact O-C 3.51Å; C166-Q300 WeakPolarHBondContact O-CA 3.47Å; H287-Q300 CarbonylContact C-O 3.6Å; H287-Q300 VanDerWaalsContact CA-O 3.26Å; H287-Q300 WeakPolarHBondContact CA-O 3.46Å; T288-Q300 PolarHBondContact N-O 3.21Å; T288-Q300 PolarHBondContact O-N 3.02Å |
| 301 | A | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V165 C166 V177 F179 F285 S286 H287 | V165-A301 CarbonylContact C-O 3.54Å; V165-A301 WeakPolarHBondContact CA-O 3.34Å; C166-A301 PolarHBondContact N-O 3.41Å; C166-A301 PolarHBondContact O-N 3.5Å; V177-A301 HydrophobicContact CB-CB 3.8Å; V177-A301 HydrophobicContact CG1-CB 3.57Å; V177-A301 HydrophobicContact CG2-CB 4.3Å; F179-A301 HydrophobicContact CE2-CB 3.95Å; F179-A301 HydrophobicContact CZ-CB 4.39Å; F285-A301 HydrophobicContact CE2-CB 3.87Å; F285-A301 HydrophobicContact CZ-CB 4.13Å; S286-A301 CarbonylContact O-C 3.57Å; H287-A301 HydrophobicContact CB-CB 4.27Å |
| 302 | R | 96 | Very high | 91.4 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.1 | -175.3 | -61.4 | 174.4 | 175.3 | -110.6 | 1.1 | 109.2 | E148 T163 L164 V165 F285 S286 | E148-R302 IonicContact OE1-CZ 3.81Å; E148-R302 IonicContact OE1-NH1 2.71Å; E148-R302 PolarHBondContact OE1-NH1 2.88Å; E148-R302 IonicContact OE2-NH1 3.45Å; E148-R302 PolarHBondContact OE2-NH1 3.06Å; T163-R302 HydrophobicContact CG2-CB 4.15Å; L164-R302 CarbonylContact O-C 3.59Å; L164-R302 WeakPolarHBondContact O-CA 3.3Å; V165-R302 HydrophobicContact CG1-CG 4.44Å; V165-R302 HydrophobicContact CG2-CG 4.27Å; F285-R302 WeakPolarHBondContact CA-O 3.26Å; S286-R302 PolarHBondContact N-O 2.88Å; S286-R302 PolarHBondContact O-N 3.18Å |
| 303 | L | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.6 | 175.9 | -176.6 | 76.4 | 0 | 0 | 0 | 108.5 | T163 L164 F179 I186 V188 Y283 Y284 W305 F317 | T163-L303 CarbonylContact C-O 3.51Å; T163-L303 VanDerWaalsContact CA-O 3.25Å; T163-L303 WeakPolarHBondContact CA-O 3.31Å; L164-L303 HydrophobicContact CB-CB 4.43Å; L164-L303 PolarHBondContact N-O 2.82Å; L164-L303 PolarHBondContact O-N 2.93Å; F179-L303 HydrophobicContact CB-CD2 3.86Å; F179-L303 HydrophobicContact CD1-CB 4.26Å; F179-L303 HydrophobicContact CD1-CD2 4.03Å; F179-L303 HydrophobicContact CD2-CB 3.84Å; F179-L303 HydrophobicContact CD2-CD1 4.31Å; F179-L303 HydrophobicContact CD2-CD2 4.36Å; F179-L303 HydrophobicContact CD2-CG 4.4Å; F179-L303 HydrophobicContact CE1-CB 4.19Å; F179-L303 HydrophobicContact CE2-CB 3.77Å; F179-L303 HydrophobicContact CG-CB 4.08Å; F179-L303 HydrophobicContact CG-CD2 3.84Å; F179-L303 HydrophobicContact CG-CG 4.37Å; F179-L303 HydrophobicContact CZ-CB 3.94Å; I186-L303 HydrophobicContact CD1-CD2 3.71Å; I186-L303 HydrophobicContact CG2-CD1 4.49Å; V188-L303 HydrophobicContact CG1-CD1 3.72Å; Y283-L303 HydrophobicContact CD1-CD1 3.97Å; Y283-L303 HydrophobicContact CD1-CD2 3.97Å; Y283-L303 HydrophobicContact CD1-CG 3.99Å; Y283-L303 HydrophobicContact CE1-CD2 4.32Å; Y283-L303 HydrophobicContact CG-CD1 4.29Å; Y284-L303 CarbonylContact O-C 3.53Å; Y284-L303 WeakPolarHBondContact O-CA 3.48Å; L303-W305 HydrophobicContact CD2-CE3 4.15Å; L303-W305 HydrophobicContact CD2-CZ3 3.92Å; L303-W305 HydrophobicContact CG-CE3 4.11Å; L303-W305 HydrophobicContact CG-CZ3 4.19Å; L303-F317 HydrophobicContact CD2-CD1 4.37Å; L303-F317 HydrophobicContact CD2-CE1 4.35Å |
| 304 | T | 94.5 | Very high | 91.4 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.1 | -179 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | N161 F162 T163 Y284 | N161-T304 HydrophobicContact CB-CG2 4.27Å; F162-T304 WeakPolarHBondContact O-CA 3.39Å; T163-T304 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T304 WeakPolarHBondContact OG1-CG2 3.12Å; T163-T304 PolarHBondContact OG1-OG1 2.78Å; Y284-T304 PolarHBondContact N-O 2.83Å; Y284-T304 PolarHBondContact O-N 2.85Å |
| 305 | W | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 167.5 | 173.1 | 72.6 | 102.8 | 0 | 0 | 0 | 111.1 | N161 F162 L164 L282 Y283 L303 L307 D312 F317 L336 | N161-W305 CarbonylContact C-O 3.55Å; N161-W305 WeakPolarHBondContact CA-O 3.44Å; F162-W305 AromaticContact CD1-CH2 3.46Å; F162-W305 HydrophobicContact CD1-CH2 3.46Å; F162-W305 VanDerWaalsContact CD1-CH2 3.46Å; F162-W305 AromaticContact CD1-CZ2 3.67Å; F162-W305 HydrophobicContact CD1-CZ2 3.67Å; F162-W305 AromaticContact CD1-CZ3 4Å; F162-W305 HydrophobicContact CD1-CZ3 4Å; F162-W305 AromaticContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CZ2 4.32Å; F162-W305 PolarHBondContact N-O 2.81Å; F162-W305 PolarHBondContact O-N 3.04Å; L164-W305 HydrophobicContact CB-CZ3 4.2Å; L164-W305 HydrophobicContact CD1-CH2 3.52Å; L164-W305 HydrophobicContact CD1-CZ3 3.81Å; L164-W305 HydrophobicContact CG-CH2 3.61Å; L164-W305 HydrophobicContact CG-CZ3 3.71Å; L282-W305 WeakPolarHBondContact O-CB 3.38Å; Y283-W305 HydrophobicContact CD1-CB 3.66Å; Y283-W305 HydrophobicContact CD1-CD2 4.07Å; Y283-W305 HydrophobicContact CD1-CE3 4.08Å; Y283-W305 AromaticContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CE1-CB 3.86Å; Y283-W305 AromaticContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CE3 4.01Å; Y283-W305 AromaticContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CG-CB 4.4Å; L303-W305 HydrophobicContact CD2-CE3 4.15Å; L303-W305 HydrophobicContact CD2-CZ3 3.92Å; L303-W305 HydrophobicContact CG-CE3 4.11Å; L303-W305 HydrophobicContact CG-CZ3 4.19Å; W305-L307 HydrophobicContact CZ2-CD1 4.1Å; W305-L307 PolarHBondContact O-N 3.48Å; W305-D312 PolarHBondContact NE1-OD2 3.28Å; W305-D312 VanDerWaalsContact NE1-OD2 3.13Å; W305-F317 HydrophobicContact CH2-CD1 4.29Å; W305-F317 AromaticContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE2 4.31Å; W305-F317 AromaticContact CH2-CZ 3.82Å; W305-F317 HydrophobicContact CH2-CZ 3.82Å; W305-F317 AromaticContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE2 4.05Å; W305-F317 AromaticContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ3-CE1 4.33Å; W305-L336 HydrophobicContact CH2-CD1 4.33Å; W305-L336 HydrophobicContact CZ2-CD1 3.83Å |
| 306 | T | 90.8 | Very high | 92 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.3 | 173 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | A159 N161 | A159-T306 HydrophobicContact CB-CG2 3.56Å; N161-T306 PolarHBondContact OD1-OG1 3.07Å |
| 307 | L | 89.1 | Confident | 92.1 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -67.7 | 131.8 | -174.7 | -168.7 | 74.8 | 0 | 0 | 0 | 111.1 | Q160 F162 W305 D312 L336 P421 L422 | Q160-L307 WeakPolarHBondContact O-CB 3.49Å; Q160-L307 PolarHBondContact O-N 2.83Å; F162-L307 HydrophobicContact CB-CB 3.89Å; F162-L307 HydrophobicContact CB-CD1 3.98Å; F162-L307 HydrophobicContact CB-CD2 4.34Å; F162-L307 HydrophobicContact CB-CG 4.31Å; F162-L307 HydrophobicContact CD1-CD1 4.26Å; F162-L307 HydrophobicContact CG-CD1 4.12Å; W305-L307 HydrophobicContact CZ2-CD1 4.1Å; W305-L307 PolarHBondContact O-N 3.48Å; L307-D312 HydrophobicContact CD1-CB 3.99Å; L307-L336 HydrophobicContact CD1-CD1 4.23Å; L307-P421 HydrophobicContact CD2-CB 3.5Å; L307-L422 HydrophobicContact CD1-CD2 3.93Å; L307-L422 HydrophobicContact CD2-CD2 3.86Å; L307-L422 HydrophobicContact CD2-CG 4.12Å; L307-L422 HydrophobicContact CG-CD2 4.03Å | ||
| 308 | N | 88.9 | Confident | 92.2 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | trans | -114.5 | 101.8 | 171.6 | -177.7 | -11.8 | 0 | 0 | 0 | 109.9 | H277 Q310 L311 D312 | H277-N308 HydrophobicContact CB-CB 4.44Å; H277-N308 WeakPolarHBondContact CB-ND2 3.42Å; N308-Q310 PolarHBondContact O-N 2.97Å; N308-Q310 PolarHBondContact OD1-N 2.89Å; N308-L311 HydrophobicContact CB-CB 4.32Å; N308-L311 VanDerWaalsContact ND2-CD1 3.27Å; N308-L311 WeakPolarHBondContact ND2-CD1 3.39Å; N308-L311 WeakPolarHBondContact ND2-CG 3.45Å; N308-L311 PolarHBondContact O-N 3.36Å; N308-D312 PolarHBondContact N-OD2 2.91Å; N308-D312 VanDerWaalsContact O-CB 3.31Å; N308-D312 WeakPolarHBondContact O-CB 3.37Å; N308-D312 PolarHBondContact O-N 2.83Å | ||
| 309 | P | 88 | Confident | 92.2 | Very high | 25 Ų | 25 | 33.2 Ų | 33.2 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -26.4 | 179.8 | -32.4 | 38.6 | 0 | 0 | 0 | 116.1 | F154 N313 L422 | F154-P309 HydrophobicContact CE2-CB 4.42Å; F154-P309 HydrophobicContact CE2-CG 4.06Å; P309-N313 WeakPolarHBondContact O-CB 3.42Å; P309-L422 WeakPolarHBondContact CB-O 3.42Å |
| 310 | Q | 84.1 | Confident | 92.2 | Very high | 168 Ų | 168 | 33.9 Ų | 33.9 | 79% | 0.785 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -29.7 | -179.2 | -60.4 | -59.5 | -65.2 | 0 | 0 | 113 | N308 | N308-Q310 PolarHBondContact O-N 2.97Å; N308-Q310 PolarHBondContact OD1-N 2.89Å |
| 311 | L | 86.5 | Confident | 92.2 | Very high | 84 Ų | 84 | 31.6 Ų | 31.6 | 44% | 0.44 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -30.2 | -177.3 | -63.2 | -179.7 | 0 | 0 | 0 | 112.7 | R181 N308 | R181-L311 PolarHBondContact NH2-O 2.79Å; N308-L311 HydrophobicContact CB-CB 4.32Å; N308-L311 VanDerWaalsContact ND2-CD1 3.27Å; N308-L311 WeakPolarHBondContact ND2-CD1 3.39Å; N308-L311 WeakPolarHBondContact ND2-CG 3.45Å; N308-L311 PolarHBondContact O-N 3.36Å |
| 312 | D | 89.9 | Confident | 92.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -94.7 | -9.2 | -174.1 | -61.2 | -26.6 | 0 | 0 | 0 | 112.4 | R181 W305 L307 N308 A315 L336 L422 | R181-D312 IonicContact CZ-OD1 3.26Å; R181-D312 VanDerWaalsContact CZ-OD1 3.26Å; R181-D312 IonicContact NH1-OD1 3.49Å; R181-D312 PolarHBondContact NH1-OD1 2.89Å; R181-D312 IonicContact NH2-OD1 2.83Å; R181-D312 PolarHBondContact NH2-OD1 3.04Å; W305-D312 PolarHBondContact NE1-OD2 3.28Å; W305-D312 VanDerWaalsContact NE1-OD2 3.13Å; L307-D312 HydrophobicContact CD1-CB 3.99Å; N308-D312 PolarHBondContact N-OD2 2.91Å; N308-D312 VanDerWaalsContact O-CB 3.31Å; N308-D312 WeakPolarHBondContact O-CB 3.37Å; N308-D312 PolarHBondContact O-N 2.83Å; D312-A315 VanDerWaalsContact O-CB 3.31Å; D312-A315 WeakPolarHBondContact O-CB 3.33Å; D312-A315 PolarHBondContact O-N 2.89Å; D312-L336 HydrophobicContact CB-CD1 4.26Å; D312-L336 VanDerWaalsContact O-CB 3.29Å; D312-L336 WeakPolarHBondContact O-CB 3.36Å; D312-L422 HydrophobicContact CB-CD2 4.2Å |
| 313 | N | 89.6 | Confident | 92.2 | Very high | 45 Ų | 45 | 34.2 Ų | 34.2 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 131.5 | 174.2 | 176 | 77.2 | 0 | 0 | 0 | 110.8 | P309 A315 S338 | P309-N313 WeakPolarHBondContact O-CB 3.42Å; N313-A315 PolarHBondContact O-N 3.4Å; N313-S338 WeakPolarHBondContact OD1-CB 3.14Å; N313-S338 PolarHBondContact OD1-N 3.13Å; N313-S338 PolarHBondContact OD1-OG 3.34Å |
| 314 | D | 89.5 | Confident | 92.2 | Very high | 82 Ų | 82 | 38.6 Ų | 38.6 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16 | -171.9 | -57.5 | -53.4 | 0 | 0 | 0 | 113.6 | L336 K340 | D314-L336 WeakPolarHBondContact CA-O 3.48Å; D314-L336 PolarHBondContact N-O 3.4Å; D314-K340 IonicContact OD1-NZ 3.04Å; D314-K340 PolarHBondContact OD1-NZ 3.36Å; D314-K340 IonicContact OD2-NZ 3.01Å; D314-K340 PolarHBondContact OD2-NZ 3.32Å |
| 315 | A | 91.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | trans | -80.4 | 138.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D312 N313 F317 T335 L336 | D312-A315 VanDerWaalsContact O-CB 3.31Å; D312-A315 WeakPolarHBondContact O-CB 3.33Å; D312-A315 PolarHBondContact O-N 2.89Å; N313-A315 PolarHBondContact O-N 3.4Å; A315-F317 HydrophobicContact CB-CE2 4.04Å; A315-T335 WeakPolarHBondContact O-CA 3.46Å; A315-L336 PolarHBondContact O-N 3.45Å | ||
| 316 | L | 93.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.3 | -178.6 | -178.5 | 67.2 | 0 | 0 | 0 | 110.6 | R181 D182 E333 T335 | R181-L316 CarbonylContact C-O 3.54Å; R181-L316 WeakPolarHBondContact CA-O 3.38Å; D182-L316 PolarHBondContact N-O 3.26Å; D182-L316 PolarHBondContact OD1-N 2.93Å; L316-E333 HydrophobicContact CD1-CB 4.02Å; L316-E333 HydrophobicContact CD1-CG 4.42Å; L316-T335 WeakPolarHBondContact CD1-OG1 3.28Å |
| 317 | F | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.9 | 171 | -74.3 | -98.1 | 0 | 0 | 0 | 109.8 | L164 K180 R181 I186 Y283 L303 W305 A315 E333 V334 L336 | L164-F317 HydrophobicContact CD1-CB 3.66Å; L164-F317 HydrophobicContact CD1-CD1 3.67Å; L164-F317 HydrophobicContact CD1-CD2 4.36Å; L164-F317 HydrophobicContact CD1-CE1 4.41Å; L164-F317 HydrophobicContact CD1-CG 3.62Å; K180-F317 WeakPolarHBondContact O-CA 3.16Å; R181-F317 HydrophobicContact CB-CE1 4.37Å; R181-F317 HydrophobicContact CG-CZ 4.41Å; I186-F317 HydrophobicContact CD1-CD1 4.04Å; I186-F317 HydrophobicContact CD1-CE1 3.89Å; Y283-F317 HydrophobicContact CE1-CE1 4.22Å; L303-F317 HydrophobicContact CD2-CD1 4.37Å; L303-F317 HydrophobicContact CD2-CE1 4.35Å; W305-F317 HydrophobicContact CH2-CD1 4.29Å; W305-F317 AromaticContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE2 4.31Å; W305-F317 AromaticContact CH2-CZ 3.82Å; W305-F317 HydrophobicContact CH2-CZ 3.82Å; W305-F317 AromaticContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE2 4.05Å; W305-F317 AromaticContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ3-CE1 4.33Å; A315-F317 HydrophobicContact CB-CE2 4.04Å; F317-E333 WeakPolarHBondContact O-CA 3.47Å; F317-V334 HydrophobicContact CB-CG2 4.07Å; F317-V334 PolarHBondContact N-O 2.79Å; F317-V334 PolarHBondContact O-N 2.9Å; F317-L336 HydrophobicContact CD2-CD1 3.79Å; F317-L336 HydrophobicContact CD2-CG 3.8Å; F317-L336 HydrophobicContact CE2-CD1 3.4Å; F317-L336 HydrophobicContact CE2-CG 3.92Å; F317-L336 HydrophobicContact CZ-CD1 4.27Å |
| 318 | S | 96.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.4 | 174.9 | 81 | 0 | 0 | 0 | 0 | 111.1 | F179 K180 Q331 T332 | F179-S318 CarbonylContact C-O 3.59Å; F179-S318 WeakPolarHBondContact CA-O 3.44Å; K180-S318 WeakPolarHBondContact CB-OG 3.24Å; K180-S318 PolarHBondContact N-O 2.93Å; K180-S318 PolarHBondContact O-N 2.77Å; S318-Q331 VanDerWaalsContact CB-NE2 3.29Å; S318-Q331 PolarHBondContact OG-NE2 3.19Å; S318-T332 CarbonylContact C-O 3.54Å; S318-T332 VanDerWaalsContact CA-O 3.31Å; S318-T332 WeakPolarHBondContact CA-O 3.41Å |
| 319 | C | 96.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.3 | 169.3 | 175.2 | 0 | 0 | 0 | 0 | 108.7 | V145 C166 V177 Y178 F179 Q331 T332 | V145-C319 HydrophobicContact CG2-CB 3.47Å; V145-C319 VanDerWaalsContact CG2-CB 3.47Å; C166-C319 HydrophobicContact CB-CB 3.72Å; C166-C319 WeakPolarHBondContact CB-SG 3.31Å; C166-C319 WeakPolarHBondContact SG-CB 3.24Å; C166-C319 CovalentContact SG-SG 2.02Å; C166-C319 PolarHBondContact SG-SG 3.5Å; V177-C319 WeakPolarHBondContact CG1-SG 3.28Å; Y178-C319 CarbonylContact O-C 3.56Å; Y178-C319 WeakPolarHBondContact O-CA 3.46Å; F179-C319 HydrophobicContact CE1-CB 4.38Å; C319-Q331 VanDerWaalsContact O-CA 3.3Å; C319-Q331 WeakPolarHBondContact O-CA 3.34Å; C319-T332 HydrophobicContact CB-CG2 4Å; C319-T332 PolarHBondContact N-O 3.14Å; C319-T332 PolarHBondContact O-N 2.91Å; C319-T332 VanDerWaalsContact O-N 3.08Å |
| 320 | E | 96 | Very high | 93 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.6 | 175.1 | -172.6 | -173.9 | 148.7 | 0 | 0 | 110.1 | Y178 K180 K322 P329 M330 | Y178-E320 PolarHBondContact N-O 3.48Å; Y178-E320 PolarHBondContact O-N 3.09Å; K180-E320 WeakPolarHBondContact CE-OE2 3.37Å; K180-E320 IonicContact NZ-OE2 2.7Å; K180-E320 PolarHBondContact NZ-OE2 3.18Å; E320-K322 WeakPolarHBondContact OE1-CE 3.09Å; E320-K322 IonicContact OE1-NZ 2.82Å; E320-P329 HydrophobicContact CG-CB 3.63Å; E320-P329 HydrophobicContact CG-CG 4.14Å; E320-P329 WeakPolarHBondContact OE1-CB 3.43Å; E320-P329 WeakPolarHBondContact OE1-CG 3.33Å; E320-M330 CarbonylContact C-O 3.59Å; E320-M330 WeakPolarHBondContact CA-O 3.35Å |
| 321 | V | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.9 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | P140 I143 A168 P175 S176 V177 P329 M330 | P140-V321 HydrophobicContact CG-CG1 4.33Å; I143-V321 HydrophobicContact CG2-CB 4.31Å; I143-V321 HydrophobicContact CG2-CG2 3.85Å; A168-V321 HydrophobicContact CB-CG1 4Å; A168-V321 HydrophobicContact CB-CG2 4.23Å; P175-V321 HydrophobicContact CB-CG1 3.65Å; P175-V321 HydrophobicContact CG-CG1 4.29Å; S176-V321 CarbonylContact O-C 3.57Å; S176-V321 WeakPolarHBondContact O-CA 3.45Å; V177-V321 HydrophobicContact CG1-CG2 4.5Å; V177-V321 HydrophobicContact CG2-CG2 4.26Å; V321-P329 WeakPolarHBondContact O-CA 3.47Å; V321-M330 HydrophobicContact CB-CB 4.47Å; V321-M330 PolarHBondContact N-O 3.45Å; V321-M330 PolarHBondContact O-N 3.37Å |
| 322 | K | 95.7 | Very high | 93.9 | Very high | 104 Ų | 104 | 47.1 Ų | 47.1 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.1 | 176.9 | -66.8 | -173.1 | -178.5 | 179.6 | 0 | 110.7 | S176 Y178 E320 P329 | S176-K322 PolarHBondContact N-O 2.87Å; S176-K322 PolarHBondContact O-N 2.64Å; Y178-K322 HydrophobicContact CD2-CD 4.32Å; Y178-K322 HydrophobicContact CD2-CG 4.35Å; Y178-K322 HydrophobicContact CE2-CB 4.32Å; Y178-K322 HydrophobicContact CE2-CD 3.81Å; Y178-K322 HydrophobicContact CE2-CG 4.08Å; E320-K322 WeakPolarHBondContact OE1-CE 3.09Å; E320-K322 IonicContact OE1-NZ 2.82Å; K322-P329 HydrophobicContact CG-CB 4.1Å |
| 323 | H | 95.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | trans | -149.2 | 140.9 | 177.3 | -175.7 | -95.3 | 0 | 0 | 0 | 110.6 | S138 P140 K172 P173 P175 A325 L326 | S138-H323 PolarHBondContact O-CE1 3.18Å; S138-H323 PolarHBondContact O-NE2 3.21Å; P140-H323 HydrophobicContact CG-CB 4.28Å; K172-H323 PolarHBondContact N-NE2 3.16Å; K172-H323 PolarHBondContact O-CE1 3.02Å; K172-H323 PolarHBondContact O-NE2 2.82Å; P173-H323 WeakPolarHBondContact CD-NE2 3.39Å; P173-H323 PolarHBondContact O-CD2 2.85Å; P173-H323 PolarHBondContact O-NE2 2.84Å; P175-H323 HydrophobicContact CB-CB 4.32Å; H323-A325 VanDerWaalsContact C-N 3.25Å; H323-A325 WeakPolarHBondContact CE1-CB 3.4Å; H323-A325 VanDerWaalsContact ND1-CB 3.31Å; H323-A325 WeakPolarHBondContact ND1-CB 3.31Å; H323-A325 PolarHBondContact ND1-N 3.41Å; H323-A325 PolarHBondContact O-N 3.02Å; H323-L326 HydrophobicContact CB-CB 4.48Å; H323-L326 HydrophobicContact CB-CD1 3.86Å; H323-L326 HydrophobicContact CB-CG 4.03Å; H323-L326 WeakPolarHBondContact O-CB 3.41Å; H323-L326 PolarHBondContact O-N 3.45Å | ||
| 324 | P | 94.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.5 | -177.4 | -25.6 | 35.2 | 0 | 0 | 0 | 115.2 | M137 P173 L326 | M137-P324 HydrophobicContact SD-CB 3.89Å; P173-P324 HydrophobicContact CG-CG 4.15Å; P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.04Å |
| 325 | A | 93.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V33 M137 P139 H323 | V33-A325 HydrophobicContact CG1-CB 4.12Å; V33-A325 HydrophobicContact CG2-CB 3.82Å; M137-A325 HydrophobicContact CB-CB 3.88Å; M137-A325 HydrophobicContact CE-CB 4.2Å; P139-A325 HydrophobicContact CB-CB 4.21Å; H323-A325 VanDerWaalsContact C-N 3.25Å; H323-A325 WeakPolarHBondContact CE1-CB 3.4Å; H323-A325 VanDerWaalsContact ND1-CB 3.31Å; H323-A325 WeakPolarHBondContact ND1-CB 3.31Å; H323-A325 PolarHBondContact ND1-N 3.41Å; H323-A325 PolarHBondContact O-N 3.02Å |
| 326 | L | 93.6 | Very high | 94.5 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | trans | -109.6 | 133.9 | 176.5 | -67.1 | 176.6 | 0 | 0 | 0 | 109.9 | P139 P140 H323 P324 M328 M330 | P139-L326 HydrophobicContact CB-CD2 3.7Å; P139-L326 HydrophobicContact CB-CG 4.18Å; P140-L326 HydrophobicContact CG-CD1 3.86Å; H323-L326 HydrophobicContact CB-CB 4.48Å; H323-L326 HydrophobicContact CB-CD1 3.86Å; H323-L326 HydrophobicContact CB-CG 4.03Å; H323-L326 WeakPolarHBondContact O-CB 3.41Å; H323-L326 PolarHBondContact O-N 3.45Å; P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.04Å; L326-M328 WeakPolarHBondContact CB-O 3.43Å; L326-M330 HydrophobicContact CD1-CG 3.76Å; L326-M330 HydrophobicContact CD1-SD 4.12Å | ||
| 327 | S | 91.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 48.5 Ų | 48.5 | 86% | 0.86 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76 | -30 | 172.5 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 328 | M | 93.6 | Very high | 94.1 | Very high | 142 Ų | 142 | 49.7 Ų | 49.7 | 70% | 0.7 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -128.9 | 142 | 176.6 | -61.3 | -174.1 | -65.4 | 0 | 0 | 109.2 | L326 | L326-M328 WeakPolarHBondContact CB-O 3.43Š|
| 329 | P | 94.7 | Very high | 93.8 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -62.5 | 143 | 176 | 27.2 | -33.5 | 0 | 0 | 0 | 110.7 | E320 V321 K322 | E320-P329 HydrophobicContact CG-CB 3.63Å; E320-P329 HydrophobicContact CG-CG 4.14Å; E320-P329 WeakPolarHBondContact OE1-CB 3.43Å; E320-P329 WeakPolarHBondContact OE1-CG 3.33Å; V321-P329 WeakPolarHBondContact O-CA 3.47Å; K322-P329 HydrophobicContact CG-CB 4.1Å | ||
| 330 | M | 94.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 54 Ų | 54 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 140.7 | 169.7 | -66.4 | 177.9 | 75.7 | 0 | 0 | 108.9 | P140 I143 E320 V321 L326 | P140-M330 HydrophobicContact CB-SD 4.36Å; P140-M330 HydrophobicContact CG-SD 3.87Å; P140-M330 VanDerWaalsContact O-SD 3.39Å; I143-M330 HydrophobicContact CD1-CB 3.74Å; I143-M330 HydrophobicContact CG1-CE 4.22Å; I143-M330 HydrophobicContact CG2-CB 4.43Å; I143-M330 HydrophobicContact CG2-CE 4.25Å; I143-M330 HydrophobicContact CG2-SD 4.37Å; E320-M330 CarbonylContact C-O 3.59Å; E320-M330 WeakPolarHBondContact CA-O 3.35Å; V321-M330 HydrophobicContact CB-CB 4.47Å; V321-M330 PolarHBondContact N-O 3.45Å; V321-M330 PolarHBondContact O-N 3.37Å; L326-M330 HydrophobicContact CD1-CG 3.76Å; L326-M330 HydrophobicContact CD1-SD 4.12Å |
| 331 | Q | 94.9 | Very high | 92.7 | Very high | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.5 | -180 | -165.8 | 176.1 | 7.1 | 0 | 0 | 110.5 | I143 S318 C319 | I143-Q331 VanDerWaalsContact CD1-C 3.41Å; S318-Q331 VanDerWaalsContact CB-NE2 3.29Å; S318-Q331 PolarHBondContact OG-NE2 3.19Å; C319-Q331 VanDerWaalsContact O-CA 3.3Å; C319-Q331 WeakPolarHBondContact O-CA 3.34Å |
| 332 | T | 95.1 | Very high | 92.3 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 23% | 0.233 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.7 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | I143 V145 S318 C319 | I143-T332 HydrophobicContact CB-CG2 4.41Å; I143-T332 HydrophobicContact CD1-CG2 3.78Å; I143-T332 HydrophobicContact CG1-CG2 4.02Å; V145-T332 HydrophobicContact CB-CG2 4.34Å; V145-T332 HydrophobicContact CG2-CG2 3.5Å; V145-T332 VanDerWaalsContact CG2-CG2 3.5Å; S318-T332 CarbonylContact C-O 3.54Å; S318-T332 VanDerWaalsContact CA-O 3.31Å; S318-T332 WeakPolarHBondContact CA-O 3.41Å; C319-T332 HydrophobicContact CB-CG2 4Å; C319-T332 PolarHBondContact N-O 3.14Å; C319-T332 PolarHBondContact O-N 2.91Å; C319-T332 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 93.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 54.4 Ų | 54.4 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.2 | -166.2 | -73.5 | -179.7 | 176.5 | 0 | 0 | 111.1 | L316 F317 | L316-E333 HydrophobicContact CD1-CB 4.02Å; L316-E333 HydrophobicContact CD1-CG 4.42Å; F317-E333 WeakPolarHBondContact O-CA 3.47Å |
| 334 | V | 93.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.9 | 173 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | V145 L164 F317 F374 | V145-V334 HydrophobicContact CB-CG1 3.94Å; V145-V334 HydrophobicContact CB-CG2 4.49Å; V145-V334 HydrophobicContact CG1-CB 4.44Å; V145-V334 HydrophobicContact CG1-CG1 3.86Å; V145-V334 HydrophobicContact CG1-CG2 3.65Å; L164-V334 HydrophobicContact CD2-CG2 4.4Å; F317-V334 HydrophobicContact CB-CG2 4.07Å; F317-V334 PolarHBondContact N-O 2.79Å; F317-V334 PolarHBondContact O-N 2.9Å; V334-F374 HydrophobicContact CB-CD1 3.92Å; V334-F374 HydrophobicContact CB-CE1 3.89Å; V334-F374 HydrophobicContact CB-CG 4.46Å; V334-F374 HydrophobicContact CB-CZ 4.38Å; V334-F374 HydrophobicContact CG1-CE1 4.39Å; V334-F374 HydrophobicContact CG1-CZ 4.4Å; V334-F374 HydrophobicContact CG2-CD1 4.2Å; V334-F374 HydrophobicContact CG2-CE1 3.72Å; V334-F374 HydrophobicContact CG2-CZ 4.26Å |
| 335 | T | 92.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.1 | 172.4 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | A315 L316 A337 | A315-T335 WeakPolarHBondContact O-CA 3.46Å; L316-T335 WeakPolarHBondContact CD1-OG1 3.28Å; T335-A337 PolarHBondContact O-N 2.85Å |
| 336 | L | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -72.2 | 125.2 | 172.8 | -66.5 | -168.7 | 0 | 0 | 0 | 108.8 | F162 W305 L307 D312 D314 A315 F317 F374 L422 | F162-L336 HydrophobicContact CE1-CD1 4.5Å; F162-L336 HydrophobicContact CE1-CD2 3.88Å; F162-L336 HydrophobicContact CZ-CD2 4.13Å; W305-L336 HydrophobicContact CH2-CD1 4.33Å; W305-L336 HydrophobicContact CZ2-CD1 3.83Å; L307-L336 HydrophobicContact CD1-CD1 4.23Å; D312-L336 HydrophobicContact CB-CD1 4.26Å; D312-L336 VanDerWaalsContact O-CB 3.29Å; D312-L336 WeakPolarHBondContact O-CB 3.36Å; D314-L336 WeakPolarHBondContact CA-O 3.48Å; D314-L336 PolarHBondContact N-O 3.4Å; A315-L336 PolarHBondContact O-N 3.45Å; F317-L336 HydrophobicContact CD2-CD1 3.79Å; F317-L336 HydrophobicContact CD2-CG 3.8Å; F317-L336 HydrophobicContact CE2-CD1 3.4Å; F317-L336 HydrophobicContact CE2-CG 3.92Å; F317-L336 HydrophobicContact CZ-CD1 4.27Å; L336-F374 HydrophobicContact CD2-CD1 3.71Å; L336-F374 HydrophobicContact CD2-CE1 3.62Å; L336-L422 HydrophobicContact CB-CD1 3.78Å | ||
| 337 | A | 91.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | trans | -140.1 | 135.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T335 V373 F374 N420 | T335-A337 PolarHBondContact O-N 2.85Å; A337-V373 HydrophobicContact CB-CG1 4.42Å; A337-V373 WeakPolarHBondContact O-CG1 3.31Å; A337-F374 PolarHBondContact N-O 3.07Å; A337-N420 PolarHBondContact O-ND2 3.3Å | ||
| 338 | S | 90.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -71.7 | 146.7 | 164.1 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | N313 K340 | N313-S338 WeakPolarHBondContact OD1-CB 3.14Å; N313-S338 PolarHBondContact OD1-N 3.13Å; N313-S338 PolarHBondContact OD1-OG 3.34Å; S338-K340 PolarHBondContact O-N 3.42Å; S338-K340 VanDerWaalsContact O-N 3.15Å | ||
| 339 | P | 89.8 | Confident | 91.3 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | trans | -63.8 | 118.1 | 179.3 | 24.2 | -32.8 | 0 | 0 | 0 | 110.7 | F364 A418 N420 T425 | P339-F364 HydrophobicContact CB-CD1 3.91Å; P339-F364 HydrophobicContact CB-CE1 3.39Å; P339-F364 HydrophobicContact CB-CZ 4.1Å; P339-A418 HydrophobicContact CB-CB 4.29Å; P339-A418 WeakPolarHBondContact CG-O 3.42Å; P339-N420 VanDerWaalsContact CD-OD1 3.26Å; P339-N420 WeakPolarHBondContact CD-OD1 3.32Å; P339-T425 HydrophobicContact CB-CG2 3.93Å; P339-T425 HydrophobicContact CG-CG2 4.16Å; P339-T425 WeakPolarHBondContact O-CB 3.45Å; P339-T425 WeakPolarHBondContact O-CG2 3.22Å | ||
| 340 | K | 85.8 | Confident | 91 | Very high | 89 Ų | 89 | 57 Ų | 57 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | trans | -95.5 | 94.3 | 173.7 | -65.6 | 172.9 | -176.6 | 162.9 | 0 | 108.1 | D314 S338 Q365 | D314-K340 IonicContact OD1-NZ 3.04Å; D314-K340 PolarHBondContact OD1-NZ 3.36Å; D314-K340 IonicContact OD2-NZ 3.01Å; D314-K340 PolarHBondContact OD2-NZ 3.32Å; S338-K340 PolarHBondContact O-N 3.42Å; S338-K340 VanDerWaalsContact O-N 3.15Å; K340-Q365 PolarHBondContact O-N 2.64Å | ||
| 341 | G | 82.6 | Confident | 90.8 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | 38 | 100.6 | 175 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q365 | G341-Q365 WeakPolarHBondContact O-CB 3.35Å; G341-Q365 PolarHBondContact O-N 3.48Å | ||
| 342 | P | 88.2 | Confident | 90.7 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 140.5 | 176.9 | 24 | -34.8 | 0 | 0 | 0 | 113.8 | L344 V361 G363 F364 F379 A418 T427 | P342-L344 HydrophobicContact CB-CD2 4.33Å; P342-L344 HydrophobicContact CG-CD2 4.4Å; P342-L344 PolarHBondContact O-N 2.89Å; P342-V361 HydrophobicContact CB-CG1 3.56Å; P342-V361 HydrophobicContact CB-CG2 4.37Å; P342-G363 CarbonylContact C-O 3.58Å; P342-G363 VanDerWaalsContact CA-O 3.24Å; P342-G363 WeakPolarHBondContact CA-O 3.29Å; P342-F364 HydrophobicContact CB-CD1 4.18Å; P342-F364 HydrophobicContact CB-CE1 3.96Å; P342-F364 HydrophobicContact CG-CE1 4.34Å; P342-F379 HydrophobicContact CB-CE1 4.46Å; P342-A418 HydrophobicContact CG-CB 3.87Å; P342-T427 VanDerWaalsContact CD-CG2 3.43Å; P342-T427 HydrophobicContact CG-CG2 3.79Å; P342-T427 WeakPolarHBondContact CG-OG1 3.24Å; P342-T427 WeakPolarHBondContact O-CG2 3.14Å |
| 343 | K | 89 | Confident | 90.5 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.2 | 171.8 | -67.9 | 179.1 | -177.1 | 166.6 | 0 | 109.2 | Q362 G363 | K343-Q362 PolarHBondContact O-N 3.1Å; K343-G363 PolarHBondContact N-O 2.92Å |
| 344 | L | 91.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.5 | -179.7 | -51.6 | -174.2 | 0 | 0 | 0 | 110.8 | P342 S360 V361 W381 C416 T429 | P342-L344 HydrophobicContact CB-CD2 4.33Å; P342-L344 HydrophobicContact CG-CD2 4.4Å; P342-L344 PolarHBondContact O-N 2.89Å; L344-S360 WeakPolarHBondContact CA-O 3.02Å; L344-V361 HydrophobicContact CD2-CG2 3.86Å; L344-W381 HydrophobicContact CD1-CH2 4.09Å; L344-W381 HydrophobicContact CD1-CZ3 4.13Å; L344-W381 HydrophobicContact CD2-CH2 3.76Å; L344-W381 HydrophobicContact CD2-CZ2 4.35Å; L344-W381 HydrophobicContact CG-CH2 4.41Å; L344-C416 HydrophobicContact CD1-CB 4.05Å; L344-C416 HydrophobicContact CD2-CB 3.9Å; L344-T429 HydrophobicContact CD1-CG2 3.93Å |
| 345 | F | 91.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.7 | 175.6 | -175.5 | -105.3 | 0 | 0 | 0 | 110.5 | T347 I359 S360 Q362 | F345-T347 HydrophobicContact CD1-CG2 4.28Å; F345-T347 HydrophobicContact CE1-CG2 3.49Å; F345-T347 VanDerWaalsContact CE1-CG2 3.49Å; F345-T347 HydrophobicContact CZ-CG2 4.18Å; F345-I359 CarbonylContact O-C 3.56Å; F345-I359 WeakPolarHBondContact O-CA 2.98Å; F345-S360 PolarHBondContact N-O 2.83Å; F345-S360 PolarHBondContact O-N 2.83Å; F345-Q362 HydrophobicContact CB-CG 3.81Å; F345-Q362 VanDerWaalsContact CD1-NE2 3.31Å |
| 346 | M | 92.5 | Very high | 90.3 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132 | -176.7 | -173.5 | 174 | 74.8 | 0 | 0 | 111.5 | V357 R358 I359 L431 | M346-V357 HydrophobicContact CG-CG1 3.53Å; M346-V357 HydrophobicContact SD-CG1 3.72Å; M346-R358 CarbonylContact C-O 3.57Å; M346-R358 VanDerWaalsContact CA-O 3.31Å; M346-R358 WeakPolarHBondContact CA-O 3.46Å; M346-I359 HydrophobicContact CG-CG1 4.17Å; M346-I359 HydrophobicContact SD-CG1 4.47Å; M346-L431 HydrophobicContact SD-CD1 3.81Å |
| 347 | T | 93.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.7 | 178.9 | 22.6 | 0 | 0 | 0 | 0 | 111.5 | F345 V357 R358 | F345-T347 HydrophobicContact CD1-CG2 4.28Å; F345-T347 HydrophobicContact CE1-CG2 3.49Å; F345-T347 VanDerWaalsContact CE1-CG2 3.49Å; F345-T347 HydrophobicContact CZ-CG2 4.18Å; T347-V357 CarbonylContact O-C 3.55Å; T347-V357 WeakPolarHBondContact O-CA 3.28Å; T347-R358 PolarHBondContact N-O 2.93Å; T347-R358 PolarHBondContact O-N 2.96Å; T347-R358 PolarHBondContact OG1-O 2.94Å |
| 348 | P | 91.5 | Very high | 90.6 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | S | Bend | cis | -69.6 | 155.7 | -8.1 | 30.9 | -35.5 | 0 | 0 | 0 | 112.3 | R350 A351 | P348-R350 PolarHBondContact O-N 2.84Å; P348-A351 HydrophobicContact CG-CB 4.42Å |
| 349 | T | 88.5 | Confident | 90.7 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -66.2 | -24.2 | 177.8 | 42.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 350 | R | 88.4 | Confident | 90.8 | Very high | 186 Ų | 186 | 59.3 Ų | 59.3 | 70% | 0.702 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -124.2 | 87.7 | 173.5 | -64.1 | -176.9 | -178.3 | -136.3 | 1.9 | 109.1 | P348 F434 | P348-R350 PolarHBondContact O-N 2.84Å; R350-F434 HydrophobicContact CB-CD2 4.12Å; R350-F434 HydrophobicContact CB-CE2 3.92Å; R350-F434 HydrophobicContact CG-CE2 4.07Å |
| 351 | A | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P348 V357 V433 F434 | P348-A351 HydrophobicContact CG-CB 4.42Å; A351-V357 HydrophobicContact CB-CG2 3.45Å; A351-V357 VanDerWaalsContact CB-CG2 3.45Å; A351-V433 CarbonylContact O-C 3.6Å; A351-V433 WeakPolarHBondContact O-CA 3.24Å; A351-F434 WeakPolarHBondContact O-CD2 3.42Å; A351-F434 PolarHBondContact O-N 3.16Å |
| 352 | K | 91.9 | Very high | 91.1 | Very high | 115 Ų | 115 | 60.7 Ų | 60.7 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 162.7 | 170.7 | -63.4 | 178.2 | -177.1 | 176.5 | 0 | 111 | G354 D355 F434 | K352-G354 PolarHBondContact O-N 2.92Å; K352-D355 WeakPolarHBondContact CB-OD2 3.27Å; K352-D355 PolarHBondContact N-OD2 2.78Å; K352-D355 VanDerWaalsContact O-CB 3.32Å; K352-D355 WeakPolarHBondContact O-CB 3.33Å; K352-D355 PolarHBondContact O-N 2.76Å; K352-F434 VanDerWaalsContact CA-O 3.3Å; K352-F434 WeakPolarHBondContact CA-O 3.03Å |
| 353 | V | 91.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.5 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | A407 V433 F434 E435 | V353-A407 HydrophobicContact CG2-CB 3.89Å; V353-V433 HydrophobicContact CB-CG1 4.46Å; V353-V433 HydrophobicContact CG2-CG1 3.78Å; V353-F434 PolarHBondContact N-O 3.11Å; V353-E435 HydrophobicContact CG2-CB 4.1Å; V353-E435 HydrophobicContact CG2-CG 4.25Å |
| 354 | G | 89.4 | Confident | 90.5 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K352 V405 | K352-G354 PolarHBondContact O-N 2.92Å; G354-V405 PolarHBondContact N-O 2.05Å |
| 355 | D | 92.4 | Very high | 89.5 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 154.6 | 174.7 | -72.7 | -10.1 | 0 | 0 | 0 | 111.4 | K352 R404 V405 | K352-D355 WeakPolarHBondContact CB-OD2 3.27Å; K352-D355 PolarHBondContact N-OD2 2.78Å; K352-D355 VanDerWaalsContact O-CB 3.32Å; K352-D355 WeakPolarHBondContact O-CB 3.33Å; K352-D355 PolarHBondContact O-N 2.76Å; D355-R404 PolarHBondContact O-N 2.9Å; D355-V405 PolarHBondContact O-N 2.8Å |
| 356 | T | 93.1 | Very high | 87.8 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 116.2 | 167 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | I401 L402 E403 | T356-I401 HydrophobicContact CG2-CG2 3.83Å; T356-L402 CarbonylContact C-O 3.57Å; T356-L402 WeakPolarHBondContact CA-O 3.39Å; T356-E403 HydrophobicContact CG2-CG 4.17Å |
| 357 | V | 93.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.5 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | M346 T347 A351 I359 L402 V405 L431 | M346-V357 HydrophobicContact CG-CG1 3.53Å; M346-V357 HydrophobicContact SD-CG1 3.72Å; T347-V357 CarbonylContact O-C 3.55Å; T347-V357 WeakPolarHBondContact O-CA 3.28Å; A351-V357 HydrophobicContact CB-CG2 3.45Å; A351-V357 VanDerWaalsContact CB-CG2 3.45Å; V357-I359 HydrophobicContact CG1-CG1 4.22Å; V357-L402 HydrophobicContact CB-CB 4.37Å; V357-L402 PolarHBondContact N-O 2.85Å; V357-L402 PolarHBondContact O-N 2.81Å; V357-V405 HydrophobicContact CB-CG2 4.08Å; V357-V405 HydrophobicContact CG2-CG2 3.73Å; V357-L431 HydrophobicContact CB-CD1 4.49Å; V357-L431 HydrophobicContact CG1-CD1 4.02Å; V357-L431 HydrophobicContact CG2-CD1 4.24Å |
| 358 | R | 94.6 | Very high | 83.5 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 45% | 0.445 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.5 | 172.8 | -62.2 | -175.2 | 177.2 | -124.9 | 0.1 | 109.2 | M346 T347 E399 L400 I401 | M346-R358 CarbonylContact C-O 3.57Å; M346-R358 VanDerWaalsContact CA-O 3.31Å; M346-R358 WeakPolarHBondContact CA-O 3.46Å; T347-R358 PolarHBondContact N-O 2.93Å; T347-R358 PolarHBondContact O-N 2.96Å; T347-R358 PolarHBondContact OG1-O 2.94Å; R358-E399 IonicContact NH1-OE2 3.78Å; R358-L400 CarbonylContact C-O 3.53Å; R358-L400 WeakPolarHBondContact CA-O 3.16Å; R358-I401 HydrophobicContact CG-CG1 4.29Å; R358-I401 HydrophobicContact CG-CG2 4.45Å |
| 359 | I | 93.8 | Very high | 81.5 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.3 | 173.5 | -44.9 | -177.4 | 0 | 0 | 0 | 107 | F345 M346 V357 W381 E399 L400 L402 Y414 T429 | F345-I359 CarbonylContact O-C 3.56Å; F345-I359 WeakPolarHBondContact O-CA 2.98Å; M346-I359 HydrophobicContact CG-CG1 4.17Å; M346-I359 HydrophobicContact SD-CG1 4.47Å; V357-I359 HydrophobicContact CG1-CG1 4.22Å; I359-W381 HydrophobicContact CB-CH2 4Å; I359-W381 HydrophobicContact CB-CZ3 4.16Å; I359-W381 HydrophobicContact CG2-CH2 3.42Å; I359-W381 VanDerWaalsContact CG2-CH2 3.42Å; I359-W381 HydrophobicContact CG2-CZ2 4.42Å; I359-W381 HydrophobicContact CG2-CZ3 3.65Å; I359-E399 CarbonylContact O-C 3.6Å; I359-E399 WeakPolarHBondContact O-CA 3.44Å; I359-L400 HydrophobicContact CB-CB 4.36Å; I359-L400 HydrophobicContact CD1-CD2 4.33Å; I359-L400 PolarHBondContact N-O 3.02Å; I359-L400 PolarHBondContact O-N 2.86Å; I359-L402 HydrophobicContact CD1-CD1 4.3Å; I359-Y414 HydrophobicContact CD1-CD2 4.22Å; I359-Y414 HydrophobicContact CD1-CG 4.22Å; I359-T429 HydrophobicContact CD1-CG2 4.05Å; I359-T429 HydrophobicContact CG2-CG2 3.91Å |
| 360 | S | 92.8 | Very high | 79.8 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.4 | -175.3 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | L344 F345 R398 | L344-S360 WeakPolarHBondContact CA-O 3.02Å; F345-S360 PolarHBondContact N-O 2.83Å; F345-S360 PolarHBondContact O-N 2.83Å; S360-R398 WeakPolarHBondContact CA-O 3.23Å |
| 361 | V | 90.6 | Very high | 78.7 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.085 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.3 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | P342 L344 F379 W381 R398 | P342-V361 HydrophobicContact CB-CG1 3.56Å; P342-V361 HydrophobicContact CB-CG2 4.37Å; L344-V361 HydrophobicContact CD2-CG2 3.86Å; V361-F379 HydrophobicContact CB-CE1 4.23Å; V361-F379 HydrophobicContact CG1-CD1 4.46Å; V361-F379 HydrophobicContact CG1-CE1 3.74Å; V361-F379 HydrophobicContact CG1-CZ 4.08Å; V361-F379 HydrophobicContact CG2-CD1 3.85Å; V361-F379 HydrophobicContact CG2-CE1 3.98Å; V361-W381 HydrophobicContact CG2-CZ2 3.94Å; V361-R398 PolarHBondContact N-O 2.86Å |
| 362 | Q | 84.3 | Confident | 77.9 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 3 | 179.4 | -74 | -163.3 | -6.3 | 0 | 0 | 114.4 | K343 F345 | K343-Q362 PolarHBondContact O-N 3.1Å; F345-Q362 HydrophobicContact CB-CG 3.81Å; F345-Q362 VanDerWaalsContact CD1-NE2 3.31Å |
| 363 | G | 82.1 | Confident | 77.8 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.5 | -167.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P342 K343 | P342-G363 CarbonylContact C-O 3.58Å; P342-G363 VanDerWaalsContact CA-O 3.24Å; P342-G363 WeakPolarHBondContact CA-O 3.29Å; K343-G363 PolarHBondContact N-O 2.92Å |
| 364 | F | 80.6 | Confident | 77.7 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 161.9 | 178.3 | -68.2 | -86.6 | 0 | 0 | 0 | 112.1 | P339 P342 V366 V373 P377 F379 A418 | P339-F364 HydrophobicContact CB-CD1 3.91Å; P339-F364 HydrophobicContact CB-CE1 3.39Å; P339-F364 HydrophobicContact CB-CZ 4.1Å; P342-F364 HydrophobicContact CB-CD1 4.18Å; P342-F364 HydrophobicContact CB-CE1 3.96Å; P342-F364 HydrophobicContact CG-CE1 4.34Å; F364-V366 HydrophobicContact CB-CG2 3.82Å; F364-V366 PolarHBondContact O-N 3.06Å; F364-V373 HydrophobicContact CB-CG2 3.83Å; F364-V373 HydrophobicContact CD1-CG2 3.98Å; F364-V373 HydrophobicContact CD2-CB 3.95Å; F364-V373 HydrophobicContact CD2-CG2 3.29Å; F364-V373 HydrophobicContact CE1-CG2 4.43Å; F364-V373 HydrophobicContact CE2-CB 4Å; F364-V373 HydrophobicContact CE2-CG2 3.82Å; F364-V373 HydrophobicContact CG-CB 4.44Å; F364-V373 HydrophobicContact CG-CG2 3.4Å; F364-V373 HydrophobicContact CZ-CG2 4.37Å; F364-P377 HydrophobicContact CE1-CG 4.37Å; F364-P377 HydrophobicContact CE2-CG 3.72Å; F364-P377 HydrophobicContact CZ-CB 4.28Å; F364-P377 HydrophobicContact CZ-CG 3.33Å; F364-F379 HydrophobicContact CE1-CE1 4.3Å; F364-F379 HydrophobicContact CE2-CE1 4.39Å; F364-F379 AromaticContact CE2-CZ 3.98Å; F364-F379 HydrophobicContact CE2-CZ 3.98Å; F364-F379 AromaticContact CZ-CE1 3.6Å; F364-F379 HydrophobicContact CZ-CE1 3.6Å; F364-F379 AromaticContact CZ-CZ 3.57Å; F364-F379 HydrophobicContact CZ-CZ 3.57Å; F364-A418 HydrophobicContact CE1-CB 3.95Å; F364-A418 HydrophobicContact CZ-CB 4.31Å |
| 365 | Q | 70.3 | Confident | 77.9 | Confident | 138 Ų | 138 | 67 Ų | 67 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | trans | -81.8 | 68.7 | 174.5 | -163 | 161.5 | 8.2 | 0 | 0 | 109.2 | K340 G341 | K340-Q365 PolarHBondContact O-N 2.64Å; G341-Q365 WeakPolarHBondContact O-CB 3.35Å; G341-Q365 PolarHBondContact O-N 3.48Å | ||
| 366 | V | 57.5 | Low | 77.8 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | trans | -108.7 | 120.7 | 178.5 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | F364 | F364-V366 HydrophobicContact CB-CG2 3.82Å; F364-V366 PolarHBondContact O-N 3.06Å | ||
| 367 | G | 49.9 | Very low | 77.7 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 72% | 0.722 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -77.1 | 135.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 368 | F | 45.5 | Very low | 77.6 | Confident | 190 Ų | 190 | 67.5 Ų | 67.5 | 83% | 0.833 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 67 | 101.1 | -175.3 | -92.3 | -98.4 | 0 | 0 | 0 | 116.1 | ||
| 369 | Q | 48.8 | Very low | 77.6 | Confident | 186 Ų | 186 | 62.2 Ų | 62.2 | 87% | 0.869 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 64.9 | 75.2 | 158.7 | -52.8 | -155.4 | 11.3 | 0 | 0 | 117.8 | ||
| 370 | G | 53.2 | Low | 77.6 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | trans | 122.1 | 129.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113 | E372 | G370-E372 PolarHBondContact O-N 3.3Å; G370-E372 VanDerWaalsContact O-N 3.12Å | ||
| 371 | N | 64.4 | Low | 77.7 | Confident | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -74.5 | 12.5 | 172.5 | -78.1 | -13.2 | 0 | 0 | 0 | 112.5 | ||
| 372 | E | 75.9 | Confident | 77.8 | Confident | 183 Ų | 183 | 62.5 Ų | 62.5 | 86% | 0.855 | 33% | 0.331 | S | S | * | . | trans | -111.8 | 132.7 | -171.2 | -65.8 | -176.1 | 170.2 | 0 | 0 | 109.9 | G370 | G370-E372 PolarHBondContact O-N 3.3Å; G370-E372 VanDerWaalsContact O-N 3.12Å | ||
| 373 | V | 88 | Confident | 78.3 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | trans | -110.1 | 130.3 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 107.5 | A337 F364 P375 | A337-V373 HydrophobicContact CB-CG1 4.42Å; A337-V373 WeakPolarHBondContact O-CG1 3.31Å; F364-V373 HydrophobicContact CB-CG2 3.83Å; F364-V373 HydrophobicContact CD1-CG2 3.98Å; F364-V373 HydrophobicContact CD2-CB 3.95Å; F364-V373 HydrophobicContact CD2-CG2 3.29Å; F364-V373 HydrophobicContact CE1-CG2 4.43Å; F364-V373 HydrophobicContact CE2-CB 4Å; F364-V373 HydrophobicContact CE2-CG2 3.82Å; F364-V373 HydrophobicContact CG-CB 4.44Å; F364-V373 HydrophobicContact CG-CG2 3.4Å; F364-V373 HydrophobicContact CZ-CG2 4.37Å; V373-P375 CarbonylContact O-C 3.47Å | ||
| 374 | F | 90.6 | Very high | 78.8 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -115.5 | 131.7 | 177.3 | -178.7 | -91.8 | 0 | 0 | 0 | 110 | A147 L164 V334 L336 A337 | A147-F374 HydrophobicContact CB-CE1 4.46Å; A147-F374 HydrophobicContact CB-CE2 4.05Å; A147-F374 HydrophobicContact CB-CZ 3.7Å; L164-F374 HydrophobicContact CD2-CE1 3.74Å; L164-F374 HydrophobicContact CD2-CZ 3.77Å; V334-F374 HydrophobicContact CB-CD1 3.92Å; V334-F374 HydrophobicContact CB-CE1 3.89Å; V334-F374 HydrophobicContact CB-CG 4.46Å; V334-F374 HydrophobicContact CB-CZ 4.38Å; V334-F374 HydrophobicContact CG1-CE1 4.39Å; V334-F374 HydrophobicContact CG1-CZ 4.4Å; V334-F374 HydrophobicContact CG2-CD1 4.2Å; V334-F374 HydrophobicContact CG2-CE1 3.72Å; V334-F374 HydrophobicContact CG2-CZ 4.26Å; L336-F374 HydrophobicContact CD2-CD1 3.71Å; L336-F374 HydrophobicContact CD2-CE1 3.62Å; A337-F374 PolarHBondContact N-O 3.07Å |
| 375 | P | 92.8 | Very high | 78.9 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | S | Bend | cis | -66.6 | 159 | -5.1 | 28.1 | -36 | 0 | 0 | 0 | 113.5 | A147 T150 F162 V373 N420 P421 | A147-P375 HydrophobicContact CB-CB 4.02Å; T150-P375 HydrophobicContact CG2-CB 3.55Å; F162-P375 HydrophobicContact CE2-CB 3.96Å; F162-P375 HydrophobicContact CE2-CG 3.77Å; F162-P375 HydrophobicContact CZ-CB 4.06Å; F162-P375 HydrophobicContact CZ-CG 4Å; V373-P375 CarbonylContact O-C 3.47Å; P375-N420 HydrophobicContact CG-CB 4.21Å; P375-N420 PolarHBondContact O-ND2 2.66Å; P375-P421 HydrophobicContact CG-CG 4.49Å |
| 376 | E | 90.8 | Very high | 79.5 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 126.5 | -179.1 | -173.8 | 174.9 | -170.1 | 0 | 0 | 111.2 | P151 R398 | P151-E376 WeakPolarHBondContact CB-O 3.41Å; E376-R398 IonicContact OE1-CZ 3.69Å; E376-R398 IonicContact OE1-NE 3.79Å; E376-R398 IonicContact OE1-NH2 2.85Å; E376-R398 PolarHBondContact OE1-NH2 3.05Å |
| 377 | P | 91.9 | Very high | 80.9 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 149.1 | -178.5 | 29.1 | -30 | 0 | 0 | 0 | 113.1 | F364 F379 Q419 N420 | F364-P377 HydrophobicContact CE1-CG 4.37Å; F364-P377 HydrophobicContact CE2-CG 3.72Å; F364-P377 HydrophobicContact CZ-CB 4.28Å; F364-P377 HydrophobicContact CZ-CG 3.33Å; P377-F379 HydrophobicContact CG-CE1 4.43Å; P377-F379 HydrophobicContact CG-CE2 4.13Å; P377-F379 HydrophobicContact CG-CZ 3.78Å; P377-F379 WeakPolarHBondContact O-CE2 3.37Å; P377-Q419 CarbonylContact C-O 3.57Å; P377-Q419 VanDerWaalsContact CA-O 3.27Å; P377-Q419 WeakPolarHBondContact CA-O 3.36Å; P377-Q419 WeakPolarHBondContact CB-O 3.49Å; P377-N420 HydrophobicContact CB-CB 4.22Å |
| 378 | L | 92.2 | Very high | 82.8 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.3 | 165.8 | -168.4 | 88.5 | 0 | 0 | 0 | 109.9 | P151 L153 T380 A418 Q419 | P151-L378 HydrophobicContact CB-CB 4.3Å; P151-L378 HydrophobicContact CB-CD1 4.41Å; P151-L378 HydrophobicContact CG-CD1 4.24Å; L153-L378 HydrophobicContact CD2-CD2 3.52Å; L378-T380 HydrophobicContact CD2-CG2 4.28Å; L378-A418 WeakPolarHBondContact O-CA 3.49Å; L378-Q419 HydrophobicContact CB-CG 4.26Å; L378-Q419 PolarHBondContact N-O 2.79Å; L378-Q419 PolarHBondContact O-N 3.04Å |
| 379 | F | 92.8 | Very high | 84.6 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.5 | 176.5 | -59.5 | -83.5 | 0 | 0 | 0 | 111.3 | P342 V361 F364 P377 E396 G397 R398 T417 A418 | P342-F379 HydrophobicContact CB-CE1 4.46Å; V361-F379 HydrophobicContact CB-CE1 4.23Å; V361-F379 HydrophobicContact CG1-CD1 4.46Å; V361-F379 HydrophobicContact CG1-CE1 3.74Å; V361-F379 HydrophobicContact CG1-CZ 4.08Å; V361-F379 HydrophobicContact CG2-CD1 3.85Å; V361-F379 HydrophobicContact CG2-CE1 3.98Å; F364-F379 HydrophobicContact CE1-CE1 4.3Å; F364-F379 HydrophobicContact CE2-CE1 4.39Å; F364-F379 AromaticContact CE2-CZ 3.98Å; F364-F379 HydrophobicContact CE2-CZ 3.98Å; F364-F379 AromaticContact CZ-CE1 3.6Å; F364-F379 HydrophobicContact CZ-CE1 3.6Å; F364-F379 AromaticContact CZ-CZ 3.57Å; F364-F379 HydrophobicContact CZ-CZ 3.57Å; P377-F379 HydrophobicContact CG-CE1 4.43Å; P377-F379 HydrophobicContact CG-CE2 4.13Å; P377-F379 HydrophobicContact CG-CZ 3.78Å; P377-F379 WeakPolarHBondContact O-CE2 3.37Å; F379-E396 WeakPolarHBondContact O-CA 3.16Å; F379-G397 VanDerWaalsContact CB-O 3.3Å; F379-G397 WeakPolarHBondContact CB-O 3.48Å; F379-G397 PolarHBondContact O-N 3.31Å; F379-R398 HydrophobicContact CD2-CG 3.52Å; F379-R398 HydrophobicContact CE2-CG 3.58Å; F379-R398 HydrophobicContact CG-CG 4.35Å; F379-R398 HydrophobicContact CZ-CG 4.44Å; F379-T417 WeakPolarHBondContact CA-O 3.47Å; F379-A418 HydrophobicContact CD1-CB 3.76Å; F379-A418 HydrophobicContact CE1-CB 3.73Å |
| 380 | T | 93.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.4 | 179 | 27.8 | 0 | 0 | 0 | 0 | 110.5 | L378 E396 C416 T417 | L378-T380 HydrophobicContact CD2-CG2 4.28Å; T380-E396 HydrophobicContact CG2-CG 3.98Å; T380-C416 WeakPolarHBondContact O-CA 3.1Å; T380-T417 WeakPolarHBondContact CB-OG1 3.49Å; T380-T417 PolarHBondContact N-O 3.02Å; T380-T417 PolarHBondContact O-N 3.13Å; T380-T417 PolarHBondContact O-OG1 3.45Å; T380-T417 PolarHBondContact OG1-O 2.97Å; T380-T417 PolarHBondContact OG1-OG1 3.2Å |
| 381 | W | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133 | -177 | -68.8 | 92.1 | 0 | 0 | 0 | 111.2 | L344 I359 V361 E394 R395 G397 L400 R415 C416 | L344-W381 HydrophobicContact CD1-CH2 4.09Å; L344-W381 HydrophobicContact CD1-CZ3 4.13Å; L344-W381 HydrophobicContact CD2-CH2 3.76Å; L344-W381 HydrophobicContact CD2-CZ2 4.35Å; L344-W381 HydrophobicContact CG-CH2 4.41Å; I359-W381 HydrophobicContact CB-CH2 4Å; I359-W381 HydrophobicContact CB-CZ3 4.16Å; I359-W381 HydrophobicContact CG2-CH2 3.42Å; I359-W381 VanDerWaalsContact CG2-CH2 3.42Å; I359-W381 HydrophobicContact CG2-CZ2 4.42Å; I359-W381 HydrophobicContact CG2-CZ3 3.65Å; V361-W381 HydrophobicContact CG2-CZ2 3.94Å; W381-E394 CarbonylContact O-C 3.51Å; W381-E394 VanDerWaalsContact O-CA 3.25Å; W381-E394 WeakPolarHBondContact O-CA 3.13Å; W381-R395 HydrophobicContact CB-CB 4.43Å; W381-R395 WeakPolarHBondContact CB-O 3.45Å; W381-R395 PolarHBondContact N-O 3.1Å; W381-R395 PolarHBondContact O-N 2.98Å; W381-G397 VanDerWaalsContact CD1-O 3.27Å; W381-G397 PolarHBondContact NE1-O 2.81Å; W381-L400 HydrophobicContact CB-CB 4.28Å; W381-L400 HydrophobicContact CB-CD1 4.26Å; W381-L400 HydrophobicContact CB-CD2 4.19Å; W381-L400 HydrophobicContact CB-CG 4.48Å; W381-L400 HydrophobicContact CD2-CB 3.64Å; W381-L400 HydrophobicContact CD2-CD2 4.23Å; W381-L400 HydrophobicContact CE3-CB 3.97Å; W381-L400 HydrophobicContact CE3-CD2 3.9Å; W381-L400 HydrophobicContact CG-CB 3.78Å; W381-L400 HydrophobicContact CG-CD2 4.38Å; W381-L400 HydrophobicContact CG-CG 4.47Å; W381-R415 CarbonylContact C-O 3.45Å; W381-R415 WeakPolarHBondContact CA-O 3.3Å; W381-C416 HydrophobicContact CD2-CB 4Å; W381-C416 HydrophobicContact CE3-CB 3.7Å; W381-C416 HydrophobicContact CH2-CB 3.69Å; W381-C416 HydrophobicContact CZ2-CB 3.97Å; W381-C416 HydrophobicContact CZ3-CB 3.55Å |
| 382 | T | 94.5 | Very high | 88.4 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.1 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | E394 Y414 R415 | T382-E394 HydrophobicContact CG2-CB 4.09Å; T382-E394 HydrophobicContact CG2-CG 3.85Å; T382-Y414 WeakPolarHBondContact O-CA 3.41Å; T382-R415 PolarHBondContact N-O 2.94Å; T382-R415 PolarHBondContact O-N 3.16Å |
| 383 | R | 93.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 25% | 0.253 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.8 | 168.5 | -176 | -178.6 | 178.1 | -169.1 | -0.2 | 108.9 | G385 G386 R387 L388 S412 Y414 | R383-G385 PolarHBondContact O-N 2.89Å; R383-G386 PolarHBondContact O-N 2.95Å; R383-R387 WeakPolarHBondContact CD-O 3.38Å; R383-L388 HydrophobicContact CB-CD2 4.21Å; R383-S412 PolarHBondContact NH2-OG 3.39Å; R383-Y414 HydrophobicContact CB-CD1 4.41Å; R383-Y414 HydrophobicContact CB-CE1 4.26Å; R383-Y414 HydrophobicContact CG-CE1 4.39Å |
| 384 | V | 92.4 | Very high | 88.7 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 118.1 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | M413 R415 | V384-M413 HydrophobicContact CB-CB 3.96Å; V384-M413 HydrophobicContact CG2-CB 3.92Å; V384-M413 PolarHBondContact N-O 3.43Å; V384-R415 HydrophobicContact CG2-CB 4.05Å |
| 385 | G | 82.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 92% | 0.918 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 16 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R383 | R383-G385 PolarHBondContact O-N 2.89Š|
| 386 | G | 83.3 | Confident | 88.6 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -174.3 | -175.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R383 | R383-G386 PolarHBondContact O-N 2.95Å |
| 387 | R | 86.8 | Confident | 88.6 | Confident | 171 Ų | 171 | 55.8 Ų | 55.8 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | trans | -85.3 | 160.1 | 173.5 | -66.6 | 177.1 | 178.5 | -133.5 | 4.6 | 110.9 | R383 G391 S392 | R383-R387 WeakPolarHBondContact CD-O 3.38Å; R387-G391 WeakPolarHBondContact CD-O 3.29Å; R387-G391 PolarHBondContact NH1-O 2.7Å; R387-S392 WeakPolarHBondContact CB-O 3.35Å | ||
| 388 | L | 89.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | trans | -66.4 | 166.7 | 169.9 | -68.5 | 175.6 | 0 | 0 | 0 | 110.7 | R383 D390 G391 S392 R395 L400 Y414 | R383-L388 HydrophobicContact CB-CD2 4.21Å; L388-D390 WeakPolarHBondContact CB-OD1 3.43Å; L388-D390 PolarHBondContact O-N 3.01Å; L388-G391 PolarHBondContact O-N 2.83Å; L388-S392 WeakPolarHBondContact CD1-OG 3.45Å; L388-S392 PolarHBondContact N-O 3.02Å; L388-R395 HydrophobicContact CD1-CB 3.57Å; L388-L400 HydrophobicContact CD1-CD1 4.29Å; L388-L400 HydrophobicContact CD2-CD1 4.21Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; L388-Y414 HydrophobicContact CD2-CD1 4.15Å; L388-Y414 HydrophobicContact CD2-CE1 3.92Å | ||
| 389 | L | 83.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.9 | -178.1 | -83.1 | 175.4 | 0 | 0 | 0 | 113.5 | G391 L402 P406 L409 | L389-G391 PolarHBondContact O-N 2.75Å; L389-L402 HydrophobicContact CD1-CB 3.98Å; L389-L402 HydrophobicContact CD1-CD2 4.06Å; L389-L402 HydrophobicContact CG-CD2 4.47Å; L389-P406 HydrophobicContact CD2-CG 4.32Å; L389-L409 HydrophobicContact CD1-CD1 3.74Å; L389-L409 HydrophobicContact CD2-CD1 3.46Å; L389-L409 VanDerWaalsContact CD2-CD1 3.46Å; L389-L409 HydrophobicContact CD2-CG 4.28Å; L389-L409 HydrophobicContact CG-CD1 3.6Å |
| 390 | D | 83.1 | Confident | 88.5 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.5 | 177.3 | 59.2 | 3.4 | 0 | 0 | 0 | 113.3 | L388 S392 R395 | L388-D390 WeakPolarHBondContact CB-OD1 3.43Å; L388-D390 PolarHBondContact O-N 3.01Å; D390-S392 PolarHBondContact O-N 2.87Å; D390-S392 VanDerWaalsContact OD1-CB 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.86Å; D390-S392 PolarHBondContact OD1-OG 2.81Å; D390-S392 PolarHBondContact OD2-OG 2.82Å; D390-R395 IonicContact OD2-CZ 2.66Å; D390-R395 IonicContact OD2-NE 2.61Å; D390-R395 PolarHBondContact OD2-NE 3.48Å; D390-R395 IonicContact OD2-NH2 3.4Å; D390-R395 PolarHBondContact OD2-NH2 2.83Å |
| 391 | G | 79.5 | Confident | 88.5 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 77.4 | -0.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R387 L388 L389 | R387-G391 WeakPolarHBondContact CD-O 3.29Å; R387-G391 PolarHBondContact NH1-O 2.7Å; L388-G391 PolarHBondContact O-N 2.83Å; L389-G391 PolarHBondContact O-N 2.75Å |
| 392 | S | 83.7 | Confident | 88.4 | Confident | 34 Ų | 34 | 65 Ų | 65 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | trans | -74.5 | 150.6 | 172.6 | 73.1 | 0 | 0 | 0 | 0 | 110.8 | R387 L388 D390 E394 | R387-S392 WeakPolarHBondContact CB-O 3.35Å; L388-S392 WeakPolarHBondContact CD1-OG 3.45Å; L388-S392 PolarHBondContact N-O 3.02Å; D390-S392 PolarHBondContact O-N 2.87Å; D390-S392 VanDerWaalsContact OD1-CB 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.86Å; D390-S392 PolarHBondContact OD1-OG 2.81Å; D390-S392 PolarHBondContact OD2-OG 2.82Å; S392-E394 PolarHBondContact OG-O 3.19Å | ||
| 393 | A | 81.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -75.4 | -32.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 394 | E | 88.8 | Confident | 88.1 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.4 | -169.2 | -38.9 | -174 | -169.3 | 0 | 0 | 110.4 | W381 T382 S392 | W381-E394 CarbonylContact O-C 3.51Å; W381-E394 VanDerWaalsContact O-CA 3.25Å; W381-E394 WeakPolarHBondContact O-CA 3.13Å; T382-E394 HydrophobicContact CG2-CB 4.09Å; T382-E394 HydrophobicContact CG2-CG 3.85Å; S392-E394 PolarHBondContact OG-O 3.19Å |
| 395 | R | 90.9 | Very high | 88 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.5 | 171.6 | -176.8 | 178.9 | -68.1 | -172.3 | 1.1 | 111.1 | W381 L388 D390 L400 I401 | W381-R395 HydrophobicContact CB-CB 4.43Å; W381-R395 WeakPolarHBondContact CB-O 3.45Å; W381-R395 PolarHBondContact N-O 3.1Å; W381-R395 PolarHBondContact O-N 2.98Å; L388-R395 HydrophobicContact CD1-CB 3.57Å; D390-R395 IonicContact OD2-CZ 2.66Å; D390-R395 IonicContact OD2-NE 2.61Å; D390-R395 PolarHBondContact OD2-NE 3.48Å; D390-R395 IonicContact OD2-NH2 3.4Å; D390-R395 PolarHBondContact OD2-NH2 2.83Å; R395-L400 HydrophobicContact CB-CD1 4.34Å; R395-I401 PolarHBondContact NH1-O 3.15Å |
| 396 | E | 91.1 | Very high | 88.4 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.9 | 178.1 | -65.5 | -178.4 | 177.7 | 0 | 0 | 112.3 | F379 T380 | F379-E396 WeakPolarHBondContact O-CA 3.16Å; T380-E396 HydrophobicContact CG2-CG 3.98Å |
| 397 | G | 89.9 | Confident | 88.7 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 32% | 0.32 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 121.6 | 168.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F379 W381 E399 | F379-G397 VanDerWaalsContact CB-O 3.3Å; F379-G397 WeakPolarHBondContact CB-O 3.48Å; F379-G397 PolarHBondContact O-N 3.31Å; W381-G397 VanDerWaalsContact CD1-O 3.27Å; W381-G397 PolarHBondContact NE1-O 2.81Å; G397-E399 PolarHBondContact O-N 3.36Å |
| 398 | R | 89.6 | Confident | 88.7 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 43% | 0.426 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -70.5 | -11.9 | -179.3 | -72.6 | 176.9 | -178.6 | -110.1 | 6 | 113.8 | S360 V361 E376 F379 | S360-R398 WeakPolarHBondContact CA-O 3.23Å; V361-R398 PolarHBondContact N-O 2.86Å; E376-R398 IonicContact OE1-CZ 3.69Å; E376-R398 IonicContact OE1-NE 3.79Å; E376-R398 IonicContact OE1-NH2 2.85Å; E376-R398 PolarHBondContact OE1-NH2 3.05Å; F379-R398 HydrophobicContact CD2-CG 3.52Å; F379-R398 HydrophobicContact CE2-CG 3.58Å; F379-R398 HydrophobicContact CG-CG 4.35Å; F379-R398 HydrophobicContact CZ-CG 4.44Å |
| 399 | E | 92.6 | Very high | 88.6 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.8 | -179.1 | -52.7 | -161.9 | 147.2 | 0 | 0 | 112.4 | R358 I359 G397 | R358-E399 IonicContact NH1-OE2 3.78Å; I359-E399 CarbonylContact O-C 3.6Å; I359-E399 WeakPolarHBondContact O-CA 3.44Å; G397-E399 PolarHBondContact O-N 3.36Å |
| 400 | L | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.4 | 166.2 | 176.5 | 63.4 | 0 | 0 | 0 | 109.4 | R358 I359 W381 L388 R395 L402 Y414 | R358-L400 CarbonylContact C-O 3.53Å; R358-L400 WeakPolarHBondContact CA-O 3.16Å; I359-L400 HydrophobicContact CB-CB 4.36Å; I359-L400 HydrophobicContact CD1-CD2 4.33Å; I359-L400 PolarHBondContact N-O 3.02Å; I359-L400 PolarHBondContact O-N 2.86Å; W381-L400 HydrophobicContact CB-CB 4.28Å; W381-L400 HydrophobicContact CB-CD1 4.26Å; W381-L400 HydrophobicContact CB-CD2 4.19Å; W381-L400 HydrophobicContact CB-CG 4.48Å; W381-L400 HydrophobicContact CD2-CB 3.64Å; W381-L400 HydrophobicContact CD2-CD2 4.23Å; W381-L400 HydrophobicContact CE3-CB 3.97Å; W381-L400 HydrophobicContact CE3-CD2 3.9Å; W381-L400 HydrophobicContact CG-CB 3.78Å; W381-L400 HydrophobicContact CG-CD2 4.38Å; W381-L400 HydrophobicContact CG-CG 4.47Å; L388-L400 HydrophobicContact CD1-CD1 4.29Å; L388-L400 HydrophobicContact CD2-CD1 4.21Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; R395-L400 HydrophobicContact CB-CD1 4.34Å; L400-L402 HydrophobicContact CD1-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CG 4.37Å; L400-L402 HydrophobicContact CG-CD2 4.04Å; L400-L402 HydrophobicContact CG-CG 4.19Å; L400-Y414 HydrophobicContact CD2-CD1 3.48Å; L400-Y414 VanDerWaalsContact CD2-CD1 3.48Å; L400-Y414 HydrophobicContact CD2-CE1 3.94Å; L400-Y414 HydrophobicContact CD2-CG 4.19Å |
| 401 | I | 93.8 | Very high | 89.2 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.5 | 177.4 | -53.5 | 177.7 | 0 | 0 | 0 | 109 | T356 R358 R395 E403 | T356-I401 HydrophobicContact CG2-CG2 3.83Å; R358-I401 HydrophobicContact CG-CG1 4.29Å; R358-I401 HydrophobicContact CG-CG2 4.45Å; R395-I401 PolarHBondContact NH1-O 3.15Å; I401-E403 HydrophobicContact CG2-CG 4.13Å |
| 402 | L | 91.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 102.6 | 176.4 | -58.1 | 174.1 | 0 | 0 | 0 | 108.3 | T356 V357 I359 L389 L400 V405 Y414 L431 | T356-L402 CarbonylContact C-O 3.57Å; T356-L402 WeakPolarHBondContact CA-O 3.39Å; V357-L402 HydrophobicContact CB-CB 4.37Å; V357-L402 PolarHBondContact N-O 2.85Å; V357-L402 PolarHBondContact O-N 2.81Å; I359-L402 HydrophobicContact CD1-CD1 4.3Å; L389-L402 HydrophobicContact CD1-CB 3.98Å; L389-L402 HydrophobicContact CD1-CD2 4.06Å; L389-L402 HydrophobicContact CG-CD2 4.47Å; L400-L402 HydrophobicContact CD1-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CG 4.37Å; L400-L402 HydrophobicContact CG-CD2 4.04Å; L400-L402 HydrophobicContact CG-CG 4.19Å; L402-V405 HydrophobicContact CB-CG2 3.77Å; L402-Y414 HydrophobicContact CD1-CE1 3.85Å; L402-Y414 HydrophobicContact CD1-CE2 3.92Å; L402-Y414 VanDerWaalsContact CD1-CZ 3.45Å; L402-Y414 WeakPolarHBondContact CD1-OH 3.38Å; L402-Y414 HydrophobicContact CD2-CE1 3.94Å; L402-L431 HydrophobicContact CD1-CD2 4.13Å |
| 403 | E | 91.8 | Very high | 90.3 | Very high | 140 Ų | 140 | 68.9 Ų | 68.9 | 65% | 0.654 | 34% | 0.344 | S | S | * | . | trans | -82.4 | 138.5 | 179.7 | -60.5 | -172.5 | 162.2 | 0 | 0 | 111 | T356 I401 V405 | T356-E403 HydrophobicContact CG2-CG 4.17Å; I401-E403 HydrophobicContact CG2-CG 4.13Å; E403-V405 PolarHBondContact O-N 3.09Å | ||
| 404 | R | 90.5 | Very high | 90.9 | Very high | 207 Ų | 207 | 66.2 Ų | 66.2 | 78% | 0.781 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 47.5 | 61.2 | 174.9 | -61.3 | -177.5 | 179.8 | -166.8 | 0.3 | 113.1 | D355 P406 | D355-R404 PolarHBondContact O-N 2.9Å; R404-P406 WeakPolarHBondContact O-CD 3.38Å |
| 405 | V | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -61 | 123.6 | -176 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | G354 D355 V357 L402 E403 L409 L431 V433 | G354-V405 PolarHBondContact N-O 2.05Å; D355-V405 PolarHBondContact O-N 2.8Å; V357-V405 HydrophobicContact CB-CG2 4.08Å; V357-V405 HydrophobicContact CG2-CG2 3.73Å; L402-V405 HydrophobicContact CB-CG2 3.77Å; E403-V405 PolarHBondContact O-N 3.09Å; V405-L409 HydrophobicContact CG1-CB 4.15Å; V405-L409 HydrophobicContact CG1-CD1 4.26Å; V405-L431 HydrophobicContact CG1-CD2 3.82Å; V405-V433 HydrophobicContact CG1-CG1 4.44Å; V405-V433 HydrophobicContact CG1-CG2 3.56Å | ||
| 406 | P | 91.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 61 Ų | 61 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | trans | -88.7 | 166.1 | 179.5 | 41.2 | -39.9 | 0 | 0 | 0 | 111.4 | L389 R404 E408 L409 | L389-P406 HydrophobicContact CD2-CG 4.32Å; R404-P406 WeakPolarHBondContact O-CD 3.38Å; P406-E408 VanDerWaalsContact C-N 3.28Å; P406-E408 WeakPolarHBondContact CB-OE2 3.45Å; P406-E408 WeakPolarHBondContact CG-OE2 3.35Å; P406-E408 PolarHBondContact O-N 2.86Å; P406-L409 HydrophobicContact CG-CD1 4.38Å; P406-L409 HydrophobicContact CG-CG 3.96Å; P406-L409 PolarHBondContact O-N 3.22Å | ||
| 407 | A | 87.9 | Confident | 91.4 | Very high | 31 Ų | 31 | 55 Ų | 55 | 26% | 0.256 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -66.7 | -27.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V353 L409 N410 | V353-A407 HydrophobicContact CG2-CB 3.89Å; A407-L409 PolarHBondContact O-N 2.88Å; A407-N410 VanDerWaalsContact O-CB 3.23Å; A407-N410 WeakPolarHBondContact O-CB 3.28Å; A407-N410 PolarHBondContact O-N 2.85Å; A407-N410 VanDerWaalsContact O-N 3.09Å |
| 408 | E | 88.1 | Confident | 91.6 | Very high | 148 Ų | 148 | 53.5 Ų | 53.5 | 69% | 0.692 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -70.5 | -16.1 | -177.8 | -48.4 | 74.2 | -159.8 | 0 | 0 | 112.4 | P406 N410 | P406-E408 VanDerWaalsContact C-N 3.28Å; P406-E408 WeakPolarHBondContact CB-OE2 3.45Å; P406-E408 WeakPolarHBondContact CG-OE2 3.35Å; P406-E408 PolarHBondContact O-N 2.86Å; E408-N410 VanDerWaalsContact C-N 3.28Å |
| 409 | L | 87.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -81.1 | -7.8 | 174.3 | -65.3 | -161.6 | 0 | 0 | 0 | 113.4 | L389 V405 P406 A407 G411 S412 Y414 L431 | L389-L409 HydrophobicContact CD1-CD1 3.74Å; L389-L409 HydrophobicContact CD2-CD1 3.46Å; L389-L409 VanDerWaalsContact CD2-CD1 3.46Å; L389-L409 HydrophobicContact CD2-CG 4.28Å; L389-L409 HydrophobicContact CG-CD1 3.6Å; V405-L409 HydrophobicContact CG1-CB 4.15Å; V405-L409 HydrophobicContact CG1-CD1 4.26Å; P406-L409 HydrophobicContact CG-CD1 4.38Å; P406-L409 HydrophobicContact CG-CG 3.96Å; P406-L409 PolarHBondContact O-N 3.22Å; A407-L409 PolarHBondContact O-N 2.88Å; L409-G411 PolarHBondContact O-N 3.48Å; L409-S412 WeakPolarHBondContact O-CB 3.41Å; L409-S412 PolarHBondContact O-N 3.02Å; L409-S412 PolarHBondContact O-OG 3.41Å; L409-Y414 WeakPolarHBondContact CD1-OH 3.47Å; L409-L431 HydrophobicContact CB-CD2 4.04Å; L409-L431 HydrophobicContact CD1-CD2 4.5Å |
| 410 | N | 90.5 | Very high | 91.7 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 126.8 | 179 | -170.6 | 15.6 | 0 | 0 | 0 | 111.3 | A407 E408 S412 V433 | A407-N410 VanDerWaalsContact O-CB 3.23Å; A407-N410 WeakPolarHBondContact O-CB 3.28Å; A407-N410 PolarHBondContact O-N 2.85Å; A407-N410 VanDerWaalsContact O-N 3.09Å; E408-N410 VanDerWaalsContact C-N 3.28Å; N410-S412 VanDerWaalsContact C-N 3.3Å; N410-S412 PolarHBondContact O-N 3.05Å; N410-V433 HydrophobicContact CB-CB 4.1Å; N410-V433 HydrophobicContact CB-CG2 4.43Å; N410-V433 PolarHBondContact ND2-O 3.35Å; N410-V433 PolarHBondContact OD1-N 2.81Å |
| 411 | G | 87.9 | Confident | 91.6 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -0.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L409 R430 L431 | L409-G411 PolarHBondContact O-N 3.48Å; G411-R430 PolarHBondContact O-NE 2.97Å; G411-L431 VanDerWaalsContact CA-O 3.26Å; G411-L431 WeakPolarHBondContact CA-O 3.46Å; G411-L431 PolarHBondContact N-O 3.15Å |
| 412 | S | 91.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -63.7 | 143.7 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | R383 L409 N410 L431 | R383-S412 PolarHBondContact NH2-OG 3.39Å; L409-S412 WeakPolarHBondContact O-CB 3.41Å; L409-S412 PolarHBondContact O-N 3.02Å; L409-S412 PolarHBondContact O-OG 3.41Å; N410-S412 VanDerWaalsContact C-N 3.3Å; N410-S412 PolarHBondContact O-N 3.05Å; S412-L431 PolarHBondContact O-N 3.36Å | ||
| 413 | M | 94.2 | Very high | 91.4 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.7 | 177.1 | -66.5 | -63.8 | -59.9 | 0 | 0 | 110.4 | V384 H428 T429 R430 | V384-M413 HydrophobicContact CB-CB 3.96Å; V384-M413 HydrophobicContact CG2-CB 3.92Å; V384-M413 PolarHBondContact N-O 3.43Å; M413-H428 HydrophobicContact CE-CB 3.63Å; M413-T429 WeakPolarHBondContact CA-O 3.3Å; M413-R430 HydrophobicContact CE-CB 4.4Å; M413-R430 HydrophobicContact SD-CB 3.44Å; M413-R430 WeakPolarHBondContact SD-CB 3.42Å; M413-R430 HydrophobicContact SD-CG 3.61Å |
| 414 | Y | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.7 | 172 | -68.3 | -90.5 | 0 | 0 | 0 | 109.3 | I359 T382 R383 L388 L400 L402 L409 H428 T429 L431 | I359-Y414 HydrophobicContact CD1-CD2 4.22Å; I359-Y414 HydrophobicContact CD1-CG 4.22Å; T382-Y414 WeakPolarHBondContact O-CA 3.41Å; R383-Y414 HydrophobicContact CB-CD1 4.41Å; R383-Y414 HydrophobicContact CB-CE1 4.26Å; R383-Y414 HydrophobicContact CG-CE1 4.39Å; L388-Y414 HydrophobicContact CD2-CD1 4.15Å; L388-Y414 HydrophobicContact CD2-CE1 3.92Å; L400-Y414 HydrophobicContact CD2-CD1 3.48Å; L400-Y414 VanDerWaalsContact CD2-CD1 3.48Å; L400-Y414 HydrophobicContact CD2-CE1 3.94Å; L400-Y414 HydrophobicContact CD2-CG 4.19Å; L402-Y414 HydrophobicContact CD1-CE1 3.85Å; L402-Y414 HydrophobicContact CD1-CE2 3.92Å; L402-Y414 VanDerWaalsContact CD1-CZ 3.45Å; L402-Y414 WeakPolarHBondContact CD1-OH 3.38Å; L402-Y414 HydrophobicContact CD2-CE1 3.94Å; L409-Y414 WeakPolarHBondContact CD1-OH 3.47Å; Y414-H428 CarbonylContact O-C 3.58Å; Y414-H428 VanDerWaalsContact O-CA 3.25Å; Y414-H428 WeakPolarHBondContact O-CA 3.35Å; Y414-T429 PolarHBondContact N-O 3.02Å; Y414-T429 PolarHBondContact O-N 3.24Å; Y414-L431 HydrophobicContact CD2-CB 4.03Å; Y414-L431 HydrophobicContact CE2-CB 3.65Å; Y414-L431 HydrophobicContact CE2-CD2 3.67Å; Y414-L431 HydrophobicContact CE2-CG 4.29Å |
| 415 | R | 94.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.8 | 178 | 179.2 | -170.5 | -58.6 | 175.7 | -3.2 | 108.9 | W381 T382 V384 T417 D426 T427 H428 | W381-R415 CarbonylContact C-O 3.45Å; W381-R415 WeakPolarHBondContact CA-O 3.3Å; T382-R415 PolarHBondContact N-O 2.94Å; T382-R415 PolarHBondContact O-N 3.16Å; V384-R415 HydrophobicContact CG2-CB 4.05Å; R415-T417 HydrophobicContact CG-CG2 3.75Å; R415-D426 HydrophobicContact CG-CB 4.25Å; R415-T427 CarbonylContact C-O 3.58Å; R415-T427 VanDerWaalsContact CA-O 3.3Å; R415-T427 WeakPolarHBondContact CA-O 3.41Å; R415-H428 PolarHBondContact NE-NE2 2.91Å |
| 416 | C | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.7 | 165.7 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | L344 T380 W381 T427 | L344-C416 HydrophobicContact CD1-CB 4.05Å; L344-C416 HydrophobicContact CD2-CB 3.9Å; T380-C416 WeakPolarHBondContact O-CA 3.1Å; W381-C416 HydrophobicContact CD2-CB 4Å; W381-C416 HydrophobicContact CE3-CB 3.7Å; W381-C416 HydrophobicContact CH2-CB 3.69Å; W381-C416 HydrophobicContact CZ2-CB 3.97Å; W381-C416 HydrophobicContact CZ3-CB 3.55Å; C416-T427 PolarHBondContact N-O 3.43Å; C416-T427 PolarHBondContact O-N 3.21Å; C416-T427 PolarHBondContact O-OG1 2.94Å; C416-T427 VanDerWaalsContact O-OG1 3.11Å |
| 417 | T | 92.9 | Very high | 91.6 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 13% | 0.129 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.4 | 173.8 | 63.5 | 0 | 0 | 0 | 0 | 107.9 | F379 T380 R415 T425 D426 | F379-T417 WeakPolarHBondContact CA-O 3.47Å; T380-T417 WeakPolarHBondContact CB-OG1 3.49Å; T380-T417 PolarHBondContact N-O 3.02Å; T380-T417 PolarHBondContact O-N 3.13Å; T380-T417 PolarHBondContact O-OG1 3.45Å; T380-T417 PolarHBondContact OG1-O 2.97Å; T380-T417 PolarHBondContact OG1-OG1 3.2Å; R415-T417 HydrophobicContact CG-CG2 3.75Å; T417-T425 WeakPolarHBondContact CA-O 3.37Å; T417-D426 WeakPolarHBondContact CB-OD1 3.42Å; T417-D426 HydrophobicContact CG2-CB 4.42Å; T417-D426 WeakPolarHBondContact CG2-OD1 3.46Å |
| 418 | A | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109 | P339 P342 F364 L378 F379 S424 T425 | P339-A418 HydrophobicContact CB-CB 4.29Å; P339-A418 WeakPolarHBondContact CG-O 3.42Å; P342-A418 HydrophobicContact CG-CB 3.87Å; F364-A418 HydrophobicContact CE1-CB 3.95Å; F364-A418 HydrophobicContact CZ-CB 4.31Å; L378-A418 WeakPolarHBondContact O-CA 3.49Å; F379-A418 HydrophobicContact CD1-CB 3.76Å; F379-A418 HydrophobicContact CE1-CB 3.73Å; A418-S424 WeakPolarHBondContact O-CA 3.45Å; A418-T425 HydrophobicContact CB-CG2 4.08Å; A418-T425 PolarHBondContact N-O 3.04Å; A418-T425 PolarHBondContact O-N 3.45Å |
| 419 | Q | 91.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.1 | -173.4 | 61.9 | -171.2 | -18.1 | 0 | 0 | 113.2 | L153 F154 P377 L378 G423 | L153-Q419 HydrophobicContact CD2-CG 4.3Å; F154-Q419 HydrophobicContact CB-CB 4.27Å; P377-Q419 CarbonylContact C-O 3.57Å; P377-Q419 VanDerWaalsContact CA-O 3.27Å; P377-Q419 WeakPolarHBondContact CA-O 3.36Å; P377-Q419 WeakPolarHBondContact CB-O 3.49Å; L378-Q419 HydrophobicContact CB-CG 4.26Å; L378-Q419 PolarHBondContact N-O 2.79Å; L378-Q419 PolarHBondContact O-N 3.04Å; Q419-G423 CarbonylContact C-O 3.42Å; Q419-G423 VanDerWaalsContact CA-O 3.28Å; Q419-G423 WeakPolarHBondContact CA-O 3.31Å |
| 420 | N | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 176.6 | 171.1 | 75.4 | -2.3 | 0 | 0 | 0 | 109.4 | A152 F154 A337 P339 P375 P377 L422 G423 | A152-N420 WeakPolarHBondContact O-CA 3.27Å; F154-N420 WeakPolarHBondContact CA-O 3.49Å; F154-N420 VanDerWaalsContact CB-O 3.24Å; F154-N420 WeakPolarHBondContact CB-O 3.37Å; A337-N420 PolarHBondContact O-ND2 3.3Å; P339-N420 VanDerWaalsContact CD-OD1 3.26Å; P339-N420 WeakPolarHBondContact CD-OD1 3.32Å; P375-N420 HydrophobicContact CG-CB 4.21Å; P375-N420 PolarHBondContact O-ND2 2.66Å; P377-N420 HydrophobicContact CB-CB 4.22Å; N420-L422 PolarHBondContact O-N 3.4Å; N420-L422 WeakPolarHBondContact OD1-CB 3.23Å; N420-L422 PolarHBondContact OD1-N 3.34Å; N420-G423 PolarHBondContact N-O 2.86Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.38Å; N420-G423 VanDerWaalsContact OD1-N 3.07Å; N420-G423 PolarHBondContact OD1-O 2.98Å |
| 421 | P | 91.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20 | -179.9 | -31.2 | 39.2 | 0 | 0 | 0 | 115.7 | A152 F162 L307 P375 | A152-P421 HydrophobicContact CB-CG 3.65Å; A152-P421 WeakPolarHBondContact O-CD 3.36Å; F162-P421 HydrophobicContact CD2-CG 4.47Å; L307-P421 HydrophobicContact CD2-CB 3.5Å; P375-P421 HydrophobicContact CG-CG 4.49Å |
| 422 | L | 90.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -23.7 | 179.4 | -65.5 | 160.6 | 0 | 0 | 0 | 113.2 | L307 P309 D312 L336 N420 | L307-L422 HydrophobicContact CD1-CD2 3.93Å; L307-L422 HydrophobicContact CD2-CD2 3.86Å; L307-L422 HydrophobicContact CD2-CG 4.12Å; L307-L422 HydrophobicContact CG-CD2 4.03Å; P309-L422 WeakPolarHBondContact CB-O 3.42Å; D312-L422 HydrophobicContact CB-CD2 4.2Å; L336-L422 HydrophobicContact CB-CD1 3.78Å; N420-L422 PolarHBondContact O-N 3.4Å; N420-L422 WeakPolarHBondContact OD1-CB 3.23Å; N420-L422 PolarHBondContact OD1-N 3.34Å |
| 423 | G | 90.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F154 Q419 N420 | F154-G423 VanDerWaalsContact CD2-CA 3.49Å; Q419-G423 CarbonylContact C-O 3.42Å; Q419-G423 VanDerWaalsContact CA-O 3.28Å; Q419-G423 WeakPolarHBondContact CA-O 3.31Å; N420-G423 PolarHBondContact N-O 2.86Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.38Å; N420-G423 VanDerWaalsContact OD1-N 3.07Å; N420-G423 PolarHBondContact OD1-O 2.98Å |
| 424 | S | 92.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.6 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | A418 | A418-S424 WeakPolarHBondContact O-CA 3.45Å |
| 425 | T | 92.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.2 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | P339 T417 A418 | P339-T425 HydrophobicContact CB-CG2 3.93Å; P339-T425 HydrophobicContact CG-CG2 4.16Å; P339-T425 WeakPolarHBondContact O-CB 3.45Å; P339-T425 WeakPolarHBondContact O-CG2 3.22Å; T417-T425 WeakPolarHBondContact CA-O 3.37Å; A418-T425 HydrophobicContact CB-CG2 4.08Å; A418-T425 PolarHBondContact N-O 3.04Å; A418-T425 PolarHBondContact O-N 3.45Å |
| 426 | D | 93.1 | Very high | 91 | Very high | 70 Ų | 70 | 47 Ų | 47 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.2 | 175.6 | -66.7 | -5.9 | 0 | 0 | 0 | 110 | R415 T417 | R415-D426 HydrophobicContact CG-CB 4.25Å; T417-D426 WeakPolarHBondContact CB-OD1 3.42Å; T417-D426 HydrophobicContact CG2-CB 4.42Å; T417-D426 WeakPolarHBondContact CG2-OD1 3.46Å |
| 427 | T | 93.1 | Very high | 89.7 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.7 | 170.9 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | P342 R415 C416 | P342-T427 VanDerWaalsContact CD-CG2 3.43Å; P342-T427 HydrophobicContact CG-CG2 3.79Å; P342-T427 WeakPolarHBondContact CG-OG1 3.24Å; P342-T427 WeakPolarHBondContact O-CG2 3.14Å; R415-T427 CarbonylContact C-O 3.58Å; R415-T427 VanDerWaalsContact CA-O 3.3Å; R415-T427 WeakPolarHBondContact CA-O 3.41Å; C416-T427 PolarHBondContact N-O 3.43Å; C416-T427 PolarHBondContact O-N 3.21Å; C416-T427 PolarHBondContact O-OG1 2.94Å; C416-T427 VanDerWaalsContact O-OG1 3.11Å |
| 428 | H | 93.3 | Very high | 88 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.9 | -174.3 | -50.7 | 77.1 | 0 | 0 | 0 | 110.1 | M413 Y414 R415 | M413-H428 HydrophobicContact CE-CB 3.63Å; Y414-H428 CarbonylContact O-C 3.58Å; Y414-H428 VanDerWaalsContact O-CA 3.25Å; Y414-H428 WeakPolarHBondContact O-CA 3.35Å; R415-H428 PolarHBondContact NE-NE2 2.91Å |
| 429 | T | 93.4 | Very high | 85.9 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.9 | 172.7 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | L344 I359 M413 Y414 | L344-T429 HydrophobicContact CD1-CG2 3.93Å; I359-T429 HydrophobicContact CD1-CG2 4.05Å; I359-T429 HydrophobicContact CG2-CG2 3.91Å; M413-T429 WeakPolarHBondContact CA-O 3.3Å; Y414-T429 PolarHBondContact N-O 3.02Å; Y414-T429 PolarHBondContact O-N 3.24Å |
| 430 | R | 93.8 | Very high | 83.6 | Confident | 156 Ų | 156 | 72.2 Ų | 72.2 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.5 | -179.9 | -165.9 | 173 | -170 | -171.6 | -2.7 | 109.8 | G411 M413 | G411-R430 PolarHBondContact O-NE 2.97Å; M413-R430 HydrophobicContact CE-CB 4.4Å; M413-R430 HydrophobicContact SD-CB 3.44Å; M413-R430 WeakPolarHBondContact SD-CB 3.42Å; M413-R430 HydrophobicContact SD-CG 3.61Å |
| 431 | L | 91.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | trans | -80.6 | 127.7 | 171.9 | 179.7 | 63.4 | 0 | 0 | 0 | 109.8 | M346 V357 L402 V405 L409 G411 S412 Y414 V433 | M346-L431 HydrophobicContact SD-CD1 3.81Å; V357-L431 HydrophobicContact CB-CD1 4.49Å; V357-L431 HydrophobicContact CG1-CD1 4.02Å; V357-L431 HydrophobicContact CG2-CD1 4.24Å; L402-L431 HydrophobicContact CD1-CD2 4.13Å; V405-L431 HydrophobicContact CG1-CD2 3.82Å; L409-L431 HydrophobicContact CB-CD2 4.04Å; L409-L431 HydrophobicContact CD1-CD2 4.5Å; G411-L431 VanDerWaalsContact CA-O 3.26Å; G411-L431 WeakPolarHBondContact CA-O 3.46Å; G411-L431 PolarHBondContact N-O 3.15Å; S412-L431 PolarHBondContact O-N 3.36Å; Y414-L431 HydrophobicContact CD2-CB 4.03Å; Y414-L431 HydrophobicContact CE2-CB 3.65Å; Y414-L431 HydrophobicContact CE2-CD2 3.67Å; Y414-L431 HydrophobicContact CE2-CG 4.29Å; L431-V433 HydrophobicContact CD1-CG2 4.34Å; L431-V433 HydrophobicContact CD2-CG2 4.13Å; L431-V433 HydrophobicContact CG-CG2 3.89Å | ||
| 432 | I | 91.5 | Very high | 79.1 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 42% | 0.415 | 45% | 0.449 | S | S | . | . | trans | -119.5 | 119.8 | 176.4 | -57.4 | 175.6 | 0 | 0 | 0 | 107.5 | F434 | I432-F434 HydrophobicContact CG2-CE2 4.06Å; I432-F434 HydrophobicContact CG2-CZ 3.97Å | ||
| 433 | V | 91.4 | Very high | 77.1 | Confident | 5 Ų | 5 | 92.5 Ų | 92.5 | 3% | 0.03 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.7 | -177.6 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | A351 V353 V405 N410 L431 | A351-V433 CarbonylContact O-C 3.6Å; A351-V433 WeakPolarHBondContact O-CA 3.24Å; V353-V433 HydrophobicContact CB-CG1 4.46Å; V353-V433 HydrophobicContact CG2-CG1 3.78Å; V405-V433 HydrophobicContact CG1-CG1 4.44Å; V405-V433 HydrophobicContact CG1-CG2 3.56Å; N410-V433 HydrophobicContact CB-CB 4.1Å; N410-V433 HydrophobicContact CB-CG2 4.43Å; N410-V433 PolarHBondContact ND2-O 3.35Å; N410-V433 PolarHBondContact OD1-N 2.81Å; L431-V433 HydrophobicContact CD1-CG2 4.34Å; L431-V433 HydrophobicContact CD2-CG2 4.13Å; L431-V433 HydrophobicContact CG-CG2 3.89Å |
| 434 | F | 88.7 | Confident | 74.9 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.7 | 177.7 | -64.4 | -81.9 | 0 | 0 | 0 | 110 | R350 A351 K352 V353 I432 | R350-F434 HydrophobicContact CB-CD2 4.12Å; R350-F434 HydrophobicContact CB-CE2 3.92Å; R350-F434 HydrophobicContact CG-CE2 4.07Å; A351-F434 WeakPolarHBondContact O-CD2 3.42Å; A351-F434 PolarHBondContact O-N 3.16Å; K352-F434 VanDerWaalsContact CA-O 3.3Å; K352-F434 WeakPolarHBondContact CA-O 3.03Å; V353-F434 PolarHBondContact N-O 3.11Å; I432-F434 HydrophobicContact CG2-CE2 4.06Å; I432-F434 HydrophobicContact CG2-CZ 3.97Å |
| 435 | E | 83.5 | Confident | 72.7 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 136.2 | 169.8 | -169.4 | 169.7 | -161.6 | 0 | 0 | 109.4 | V353 | V353-E435 HydrophobicContact CG2-CB 4.1Å; V353-E435 HydrophobicContact CG2-CG 4.25Å |
| 436 | N | 75.1 | Confident | 70.4 | Confident | 131 Ų | 131 | 107.4 Ų | 107.4 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.2 | 172.2 | -126.9 | 9.1 | 0 | 0 | 0 | 107.2 | S438 | N436-S438 PolarHBondContact O-N 3.49Š|
| 437 | P | 67.8 | Low | 67.9 | Low | 118 Ų | 118 | 110.6 Ų | 110.6 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | trans | -60.5 | 112.3 | -177.8 | 21.7 | -30.3 | 0 | 0 | 0 | 109.4 | M439 | P437-M439 PolarHBondContact O-N 2.85Š| ||
| 438 | S | 56.9 | Low | 65.1 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | trans | -71.7 | 108.5 | 168.3 | 49.6 | 0 | 0 | 0 | 0 | 106.9 | N436 M440 | N436-S438 PolarHBondContact O-N 3.49Å; S438-M440 PolarHBondContact O-N 3.02Å | ||
| 439 | M | 47.8 | Very low | 62.2 | Low | 181 Ų | 181 | 121.1 Ų | 121.1 | 89% | 0.892 | 63% | 0.626 | S | S | * | * | trans | -58.8 | 113.7 | 167 | -76.3 | -141.7 | -67.2 | 0 | 0 | 107.2 | P437 K441 | P437-M439 PolarHBondContact O-N 2.85Å; M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å | ||
| 440 | M | 45 | Very low | 59.4 | Low | 183 Ų | 183 | 123.6 Ų | 123.6 | 90% | 0.901 | 65% | 0.65 | S | S | * | * | trans | -52.4 | 102.3 | 164.6 | -90.6 | 175 | 161.4 | 0 | 0 | 107.2 | S438 N442 | S438-M440 PolarHBondContact O-N 3.02Å; M440-N442 PolarHBondContact O-N 3.1Å | ||
| 441 | K | 48.9 | Very low | 56.3 | Low | 197 Ų | 197 | 122.9 Ų | 122.9 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | trans | -68.8 | 91.4 | 165.9 | -129 | 179 | -176.7 | -179.2 | 0 | 105 | M439 T443 | M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å; K441-T443 PolarHBondContact O-N 3.15Å | ||
| 442 | N | 39.8 | Very low | 53.4 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 86.2 | 176.2 | -164.3 | 21.4 | 0 | 0 | 0 | 107.5 | M440 Q444 | M440-N442 PolarHBondContact O-N 3.1Å; N442-Q444 PolarHBondContact O-N 2.86Å | ||
| 443 | T | 48.8 | Very low | 50.4 | Low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -77.5 | 73.9 | 169.8 | -43.6 | 0 | 0 | 0 | 0 | 107.4 | K441 N445 | K441-T443 PolarHBondContact O-N 3.15Å; T443-N445 PolarHBondContact O-N 2.89Å | ||
| 444 | Q | 45.3 | Very low | 47.4 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -74.1 | 107.2 | 160 | -82 | 177.7 | -3.9 | 0 | 0 | 107.3 | N442 P446 | N442-Q444 PolarHBondContact O-N 2.86Å; Q444-P446 WeakPolarHBondContact O-CD 3.19Å | ||
| 445 | N | 46.5 | Very low | 44.6 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -65.8 | 135.9 | 154.4 | -91.2 | -11.1 | 0 | 0 | 0 | 109 | T443 | T443-N445 PolarHBondContact O-N 2.89Š| ||
| 446 | P | 43.8 | Very low | 42.2 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -120.1 | 129.5 | 140.5 | 9.6 | 11.6 | 0 | 0 | 0 | 110.6 | Q444 | Q444-P446 WeakPolarHBondContact O-CD 3.19Š| ||
| 447 | N | 39.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -66.5 | 152.8 | 173.5 | -72.9 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 448 | N | 34.4 | Very low | 38.8 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | 27.6 | 128.3 | 148 | -60.9 | -10.5 | 0 | 0 | 0 | 118.6 | ||||
| 449 | E | 32.2 | Very low | 37.7 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | -168.9 | 145.1 | 59.6 | -138.1 | 167.1 | -173.4 | 0 | 0 | 112.5 | |||||
| 450 | A | 34.2 | Very low | 37.3 | Very low | 83 Ų | 83 | 154 Ų | 154 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | 21.6 | 123.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 451 | T | 29.3 | Very low | 36.9 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | -176.4 | 123.4 | 94.1 | 28.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 452 | R | 30.8 | Very low | 36.5 | Very low | 224 Ų | 224 | 147.9 Ų | 147.9 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 1.8 | 144.7 | 150.3 | -140.5 | 178.7 | -174.1 | -177.1 | 0.7 | 121.8 | ||||
| 453 | T | 29 | Very low | 36.3 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 71.6 | 141.7 | 151 | 36.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 454 | E | 28.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -168.5 | 149.6 | -7 | -138.7 | -173.1 | 150.8 | 0 | 0 | 106.4 | ||||
| 455 | K | 30.7 | Very low | 35.5 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | 47.1 | 124.8 | 146.2 | -76 | 170.1 | -174.7 | 157.3 | 0 | 122.6 | ||||
| 456 | R | 31.6 | Very low | 35.2 | Very low | 251 Ų | 251 | 149.3 Ų | 149.3 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | trans | 56.7 | 121.7 | 132.4 | -97.5 | 178 | 173.4 | 177.1 | -1.4 | 118.9 | ||||
| 457 | G | 31.6 | Very low | 35 | Very low | 74 Ų | 74 | 149.7 Ų | 149.7 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 173 | 93.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 458 | L | 40.3 | Very low | 35.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 132.2 | 160.9 | -163.8 | 84.8 | 0 | 0 | 0 | 108.6 | ||||
| 459 | T | 33.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -167.7 | 123.7 | 149 | 15.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 460 | W | 40.2 | Very low | 35.8 | Very low | 241 Ų | 241 | 142.2 Ų | 142.2 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 139.6 | 162.7 | -87.2 | 69.4 | 0 | 0 | 0 | 109.8 | ||||
| 461 | L | 36.5 | Very low | 35.9 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -154.5 | 116.6 | 153.8 | -107.2 | 148.2 | 0 | 0 | 0 | 110.1 | ||||
| 462 | A | 40.2 | Very low | 36.3 | Very low | 81 Ų | 81 | 149.6 Ų | 149.6 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -65.2 | 141.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 463 | L | 35.8 | Very low | 36.6 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -120.8 | 109.3 | 162.8 | -141.1 | 115.1 | 0 | 0 | 0 | 108.5 | ||||
| 464 | V | 40.8 | Very low | 37 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118.4 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | ||
| 465 | L | 37 | Very low | 37.4 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 117.3 | 167.5 | -105.3 | 151.2 | 0 | 0 | 0 | 108.7 | ||
| 466 | T | 38.7 | Very low | 37.8 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.5 | 170.9 | 37.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 467 | V | 40 | Very low | 38.2 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 83% | 0.826 | S | S | * | * | trans | -100.2 | 111.2 | 167.3 | 173.7 | 0 | 0 | 0 | 0 | 108 | V469 | V467-V469 HydrophobicContact CG1-CG2 3.93Š| ||
| 468 | T | 43.7 | Very low | 38.6 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | trans | -78.5 | 118.7 | 162.6 | 37.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 469 | V | 42.1 | Very low | 38.5 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -133.3 | 115.7 | 157.5 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | V467 | V467-V469 HydrophobicContact CG1-CG2 3.93Š| ||
| 470 | G | 37.5 | Very low | 38.9 | Very low | 57 Ų | 57 | 144.6 Ų | 144.6 | 59% | 0.588 | 83% | 0.828 | S | S | * | * | trans | -95.8 | 176.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 471 | L | 35.5 | Very low | 38.8 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | 74.7 | 115.4 | -179.8 | -66.5 | 109.3 | 0 | 0 | 0 | 112.3 | ||||
| 472 | T | 38 | Very low | 39 | Very low | 207 Ų | 207 | 133.5 Ų | 133.5 | 100% | 1.27 | 82% | 0.815 | S | S | * | * | cis | -158.6 | 0 | 23.7 | 29.6 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 472 of 472 residues in 119.9 ms
(Link to these results)