| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 79.7 | Confident | 236 Ų | 236 | 82.8 Ų | 82.8 | 100% | 1.163 | 50% | 0.495 | S | S | * | . | 0 | 126.3 | 0 | -79.6 | 179.5 | 179.2 | 0 | 0 | 108.2 | S3 | M1-S3 PolarHBondContact O-N 3Š| |||
| 2 | G | 43.9 | Very low | 81.1 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | trans | -63.4 | 126.8 | -160.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G4 | G2-G4 PolarHBondContact O-N 3.46Š| ||
| 3 | S | 52.6 | Low | 82.3 | Confident | 127 Ų | 127 | 86.6 Ų | 86.6 | 89% | 0.888 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -1.1 | 176.1 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | M1 | M1-S3 PolarHBondContact O-N 3Š|
| 4 | G | 67.9 | Low | 83.3 | Confident | 57 Ų | 57 | 91.6 Ų | 91.6 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 12.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | G2 | G2-G4 PolarHBondContact O-N 3.46Š|
| 5 | E | 88.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 87.1 Ų | 87.1 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -86.9 | -27.9 | -179.8 | -163.5 | 176.7 | -161.3 | 0 | 0 | 113.7 | R124 | E5-R124 IonicContact OE1-CZ 3.84Å; E5-R124 IonicContact OE1-NH1 3.05Å; E5-R124 PolarHBondContact OE1-NH1 2.69Å; E5-R124 IonicContact OE1-NH2 2.69Å; E5-R124 IonicContact OE2-CZ 3.76Å; E5-R124 IonicContact OE2-NH1 3.57Å; E5-R124 PolarHBondContact OE2-NH1 3.07Å |
| 6 | Y | 95.5 | Very high | 85 | Confident | 34 Ų | 34 | 83.6 Ų | 83.6 | 13% | 0.133 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | 179.7 | -60.2 | -85.3 | 0 | 0 | 0 | 110.7 | R65 D66 A72 S121 R124 L126 | Y6-R65 CarbonylContact C-O 3.52Å; Y6-R65 WeakPolarHBondContact CA-O 3.16Å; Y6-D66 HydrophobicContact CD1-CB 4.16Å; Y6-D66 HydrophobicContact CE1-CB 3.91Å; Y6-A72 HydrophobicContact CD1-CB 3.6Å; Y6-A72 HydrophobicContact CE1-CB 3.47Å; Y6-A72 VanDerWaalsContact CE1-CB 3.47Å; Y6-S121 PolarHBondContact OH-OG 2.88Å; Y6-R124 WeakPolarHBondContact OH-CD 3.38Å; Y6-R124 PolarHBondContact OH-NE 3.31Å; Y6-L126 HydrophobicContact CD1-CD1 4.02Å; Y6-L126 HydrophobicContact CD1-CD2 4.41Å; Y6-L126 HydrophobicContact CD2-CD1 4.44Å; Y6-L126 HydrophobicContact CD2-CD2 3.79Å; Y6-L126 HydrophobicContact CE1-CD1 3.91Å; Y6-L126 HydrophobicContact CE2-CD1 4.35Å; Y6-L126 HydrophobicContact CE2-CD2 4.3Å; Y6-L126 HydrophobicContact CG-CD1 4.28Å; Y6-L126 HydrophobicContact CG-CD2 3.86Å |
| 7 | I | 95.9 | Very high | 85.8 | Confident | 105 Ų | 105 | 84.9 Ų | 84.9 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.8 | -179.1 | -56.9 | 173.7 | 0 | 0 | 0 | 108.2 | Q9 F64 R65 | I7-Q9 HydrophobicContact CG2-CG 4.2Å; I7-F64 CarbonylContact O-C 3.57Å; I7-F64 VanDerWaalsContact O-CA 3.29Å; I7-F64 WeakPolarHBondContact O-CA 3.5Å; I7-R65 PolarHBondContact N-O 3.01Å; I7-R65 PolarHBondContact O-N 2.82Å |
| 8 | L | 97.3 | Very high | 86.4 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 40% | 0.398 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.4 | 175.1 | -175 | 64.4 | 0 | 0 | 0 | 109.6 | L62 F63 F64 L130 A133 | L8-L62 HydrophobicContact CD1-CB 4.17Å; L8-F63 CarbonylContact C-O 3.5Å; L8-F63 WeakPolarHBondContact CA-O 3.38Å; L8-F64 HydrophobicContact CB-CD1 4.01Å; L8-F64 HydrophobicContact CB-CE1 3.54Å; L8-F64 HydrophobicContact CB-CZ 4.03Å; L8-F64 HydrophobicContact CD1-CD1 4.33Å; L8-F64 HydrophobicContact CD1-CD2 4.25Å; L8-F64 HydrophobicContact CD1-CE1 4.06Å; L8-F64 HydrophobicContact CD1-CE2 3.95Å; L8-F64 HydrophobicContact CD1-CG 4.43Å; L8-F64 HydrophobicContact CD1-CZ 3.84Å; L8-F64 HydrophobicContact CG-CE1 4.34Å; L8-F64 HydrophobicContact CG-CZ 4.38Å; L8-L130 HydrophobicContact CD1-CD2 3.77Å; L8-A133 HydrophobicContact CD2-CB 3.96Å |
| 9 | Q | 97 | Very high | 87 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.1 | 178.6 | -61.5 | -171.4 | -83.6 | 0 | 0 | 110.7 | I7 L62 F63 R65 | I7-Q9 HydrophobicContact CG2-CG 4.2Å; Q9-L62 WeakPolarHBondContact O-CA 3.07Å; Q9-F63 HydrophobicContact CB-CD1 4.13Å; Q9-F63 HydrophobicContact CB-CE1 3.58Å; Q9-F63 HydrophobicContact CB-CE2 4.13Å; Q9-F63 HydrophobicContact CB-CZ 3.6Å; Q9-F63 HydrophobicContact CG-CZ 4.28Å; Q9-F63 PolarHBondContact N-O 2.88Å; Q9-F63 PolarHBondContact O-N 2.7Å; Q9-R65 VanDerWaalsContact OE1-CG 3.29Å |
| 10 | V | 97.6 | Very high | 87.6 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.4 | 166.1 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | S59 L62 | V10-S59 WeakPolarHBondContact CG1-O 3.29Å; V10-L62 HydrophobicContact CB-CD2 4.44Å; V10-L62 HydrophobicContact CG2-CD2 3.93Å |
| 11 | A | 97.7 | Very high | 88 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.008 | 42% | 0.417 | C | S | . | . | trans | -73.2 | 136.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L19 L56 S61 F63 | A11-L19 HydrophobicContact CB-CD1 3.76Å; A11-L56 HydrophobicContact CB-CD2 3.29Å; A11-S61 WeakPolarHBondContact CB-O 3.36Å; A11-S61 PolarHBondContact N-O 3.28Å; A11-F63 HydrophobicContact CB-CD1 3.88Å; A11-F63 HydrophobicContact CB-CE1 4.17Å | ||
| 12 | K | 96.7 | Very high | 90.6 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | trans | -127.1 | 168.6 | 178.6 | -61.2 | -177.4 | 179.1 | -176.5 | 0 | 110.1 | D14 N15 | K12-D14 PolarHBondContact O-N 2.66Å; K12-D14 VanDerWaalsContact O-N 3.17Å; K12-N15 PolarHBondContact N-OD1 3.09Å; K12-N15 WeakPolarHBondContact O-CA 3.5Å; K12-N15 VanDerWaalsContact O-CB 3.32Å; K12-N15 WeakPolarHBondContact O-CB 3.32Å; K12-N15 PolarHBondContact O-N 2.77Å | ||
| 13 | M | 96.5 | Very high | 93.1 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -55.4 | -33.7 | 177.4 | -64.2 | -55.3 | -100.3 | 0 | 0 | 113.2 | N15 L16 D53 L56 R57 | M13-N15 PolarHBondContact O-N 3.31Å; M13-L16 WeakPolarHBondContact O-CB 3.07Å; M13-L16 PolarHBondContact O-N 3.09Å; M13-D53 VanDerWaalsContact CE-OD1 3.24Å; M13-D53 WeakPolarHBondContact CE-OD1 3.48Å; M13-L56 HydrophobicContact SD-CB 3.5Å; M13-L56 WeakPolarHBondContact SD-CB 3.24Å; M13-L56 HydrophobicContact SD-CD1 4.4Å; M13-R57 HydrophobicContact CE-CG 4.36Å |
| 14 | D | 96.3 | Very high | 95 | Very high | 157 Ų | 157 | 55.7 Ų | 55.7 | 84% | 0.84 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -61.9 | -16 | 174.3 | -62.4 | -6 | 0 | 0 | 0 | 113.5 | K12 | K12-D14 PolarHBondContact O-N 2.66Å; K12-D14 VanDerWaalsContact O-N 3.17Å |
| 15 | N | 97 | Very high | 96.2 | Very high | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -95.7 | -1.2 | 176.3 | -50.4 | 128.3 | 0 | 0 | 0 | 113.3 | K12 M13 M17 E18 L19 | K12-N15 PolarHBondContact N-OD1 3.09Å; K12-N15 WeakPolarHBondContact O-CA 3.5Å; K12-N15 VanDerWaalsContact O-CB 3.32Å; K12-N15 WeakPolarHBondContact O-CB 3.32Å; K12-N15 PolarHBondContact O-N 2.77Å; M13-N15 PolarHBondContact O-N 3.31Å; N15-M17 PolarHBondContact O-N 3.07Å; N15-E18 PolarHBondContact O-N 2.64Å; N15-L19 HydrophobicContact CB-CD1 3.9Å; N15-L19 HydrophobicContact CB-CG 4.4Å; N15-L19 WeakPolarHBondContact O-CB 3.05Å; N15-L19 PolarHBondContact O-N 3.2Å |
| 16 | L | 97.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -49.3 | -60.1 | -172.8 | 174.5 | 58.3 | 0 | 0 | 0 | 112.5 | M13 E18 L19 V20 V52 D53 L56 | M13-L16 WeakPolarHBondContact O-CB 3.07Å; M13-L16 PolarHBondContact O-N 3.09Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.21Å; L16-V20 HydrophobicContact CD1-CG2 4.07Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.16Å; L16-V52 HydrophobicContact CD1-CB 3.9Å; L16-V52 HydrophobicContact CD1-CG1 3.6Å; L16-D53 HydrophobicContact CD1-CB 4.1Å; L16-L56 HydrophobicContact CB-CD1 3.87Å; L16-L56 HydrophobicContact CD1-CD1 4.01Å |
| 17 | M | 97.7 | Very high | 96 | Very high | 106 Ų | 106 | 55.7 Ų | 55.7 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -174.4 | -65.6 | -55 | -59.6 | 0 | 0 | 112.6 | N15 V20 D21 | N15-M17 PolarHBondContact O-N 3.07Å; M17-V20 PolarHBondContact O-N 3.14Å; M17-D21 PolarHBondContact O-N 3.02Å |
| 18 | E | 97.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 177.6 | -166.7 | -175.2 | -175.9 | 0 | 0 | 111.7 | N15 L16 F22 R65 I71 | N15-E18 PolarHBondContact O-N 2.64Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.23Å; E18-F22 WeakPolarHBondContact O-CB 3.21Å; E18-F22 PolarHBondContact O-N 3.3Å; E18-R65 VanDerWaalsContact CD-NH1 3.28Å; E18-R65 IonicContact OE1-CZ 3.9Å; E18-R65 IonicContact OE1-NH1 4Å; E18-R65 PolarHBondContact OE1-NH1 2.83Å; E18-R65 IonicContact OE1-NH2 2.66Å; E18-R65 IonicContact OE2-CZ 2.69Å; E18-R65 IonicContact OE2-NH1 2.77Å; E18-R65 PolarHBondContact OE2-NH1 2.92Å; E18-R65 IonicContact OE2-NH2 2.7Å; E18-R65 PolarHBondContact OE2-NH2 2.92Å; E18-I71 HydrophobicContact CB-CD1 4.21Å; E18-I71 HydrophobicContact CG-CD1 3.68Å; E18-I71 HydrophobicContact CG-CG1 4.12Å |
| 19 | L | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 175.3 | -79.3 | 165.2 | 0 | 0 | 0 | 112 | A11 N15 L16 F22 V23 V52 L56 F63 I71 C74 L76 | A11-L19 HydrophobicContact CB-CD1 3.76Å; N15-L19 HydrophobicContact CB-CD1 3.9Å; N15-L19 HydrophobicContact CB-CG 4.4Å; N15-L19 WeakPolarHBondContact O-CB 3.05Å; N15-L19 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 3.21Å; L19-F22 PolarHBondContact O-N 3.13Å; L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 2.95Å; L19-V52 HydrophobicContact CB-CG1 3.8Å; L19-L56 HydrophobicContact CD1-CD1 4.35Å; L19-L56 HydrophobicContact CD1-CD2 3.83Å; L19-F63 HydrophobicContact CD2-CB 4.42Å; L19-I71 HydrophobicContact CD2-CD1 3.67Å; L19-I71 HydrophobicContact CG-CD1 3.84Å; L19-C74 HydrophobicContact CD2-CB 3.74Å; L19-L76 HydrophobicContact CD1-CD2 4.43Å; L19-L76 HydrophobicContact CD2-CD2 4.45Å |
| 20 | V | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -51.4 | 172.8 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | L16 M17 F22 V23 L24 V48 V52 | L16-V20 HydrophobicContact CD1-CG2 4.07Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.46Å; L16-V20 PolarHBondContact O-N 3.16Å; M17-V20 PolarHBondContact O-N 3.14Å; V20-F22 VanDerWaalsContact C-N 3.3Å; V20-F22 PolarHBondContact O-N 3.08Å; V20-V23 PolarHBondContact O-N 2.83Å; V20-L24 HydrophobicContact CG1-CD1 3.82Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.49Å; V20-L24 PolarHBondContact O-N 3.2Å; V20-V48 HydrophobicContact CG1-CG1 4.19Å; V20-V48 HydrophobicContact CG2-CG1 4.5Å; V20-V52 HydrophobicContact CG2-CB 3.77Å; V20-V52 HydrophobicContact CG2-CG1 4.14Å; V20-V52 HydrophobicContact CG2-CG2 3.79Å |
| 21 | D | 96.5 | Very high | 93 | Very high | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 178.4 | -74.5 | -26.8 | 0 | 0 | 0 | 112 | M17 N25 R45 | M17-D21 PolarHBondContact O-N 3.02Å; D21-N25 WeakPolarHBondContact O-CB 3.39Å; D21-N25 PolarHBondContact O-N 2.95Å; D21-N25 PolarHBondContact O-ND2 3.33Å; D21-R45 IonicContact OD1-CZ 3.6Å; D21-R45 IonicContact OD1-NH1 3.74Å; D21-R45 PolarHBondContact OD1-NH1 2.85Å; D21-R45 IonicContact OD1-NH2 3.33Å; D21-R45 PolarHBondContact OD1-NH2 3.48Å; D21-R45 VanDerWaalsContact OD1-NH2 3.07Å |
| 22 | F | 97.1 | Very high | 92 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 174.5 | -176.6 | -92.1 | 0 | 0 | 0 | 111.9 | E18 L19 V20 N25 N26 I71 C74 | E18-F22 WeakPolarHBondContact O-CB 3.21Å; E18-F22 PolarHBondContact O-N 3.3Å; L19-F22 PolarHBondContact O-N 3.13Å; V20-F22 VanDerWaalsContact C-N 3.3Å; V20-F22 PolarHBondContact O-N 3.08Å; F22-N25 PolarHBondContact O-N 3.27Å; F22-N26 HydrophobicContact CD1-CB 4.49Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.4Å; F22-N26 HydrophobicContact CE1-CB 4.15Å; F22-N26 HydrophobicContact CE2-CB 4.32Å; F22-N26 HydrophobicContact CZ-CB 4.06Å; F22-N26 WeakPolarHBondContact O-CB 3.33Å; F22-N26 PolarHBondContact O-N 3.48Å; F22-N26 PolarHBondContact O-ND2 2.93Å; F22-I71 HydrophobicContact CB-CG2 4.39Å; F22-I71 HydrophobicContact CD1-CG2 4.05Å; F22-I71 HydrophobicContact CD2-CB 3.73Å; F22-I71 HydrophobicContact CD2-CG2 3.54Å; F22-I71 HydrophobicContact CE1-CG2 4.2Å; F22-I71 HydrophobicContact CE2-CB 4.17Å; F22-I71 HydrophobicContact CE2-CG2 3.72Å; F22-I71 WeakPolarHBondContact CE2-O 3.5Å; F22-I71 HydrophobicContact CG-CB 4.17Å; F22-I71 HydrophobicContact CG-CG2 3.72Å; F22-I71 HydrophobicContact CZ-CG2 4.05Å; F22-C74 VanDerWaalsContact CD1-SG 3.57Å; F22-C74 HydrophobicContact CE1-CB 4.44Å |
| 23 | V | 95.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 180 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | L19 V20 N25 N26 Y27 L28 V48 V52 L76 L114 | L19-V23 WeakPolarHBondContact O-CB 3.41Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 2.95Å; V20-V23 PolarHBondContact O-N 2.83Å; V23-N25 PolarHBondContact O-N 3.18Å; V23-N25 VanDerWaalsContact O-N 3.15Å; V23-N26 PolarHBondContact O-N 2.85Å; V23-Y27 HydrophobicContact CG1-CD1 4.3Å; V23-Y27 WeakPolarHBondContact O-CA 3.25Å; V23-Y27 WeakPolarHBondContact O-CB 3.4Å; V23-Y27 PolarHBondContact O-N 2.91Å; V23-L28 PolarHBondContact O-N 3.08Å; V23-V48 HydrophobicContact CB-CG1 3.91Å; V23-V48 HydrophobicContact CG1-CG1 3.55Å; V23-V48 HydrophobicContact CG1-CG2 4.32Å; V23-V52 HydrophobicContact CG2-CG2 4.39Å; V23-L76 HydrophobicContact CG2-CD1 4.12Å; V23-L114 HydrophobicContact CG1-CD1 3.68Å; V23-L114 HydrophobicContact CG2-CD1 4.08Å; V23-L114 HydrophobicContact CG2-CD2 4.07Å |
| 24 | L | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.3 | -35.8 | 177.8 | -71.6 | 172 | 0 | 0 | 0 | 112.2 | V20 L28 K41 R45 V48 | V20-L24 HydrophobicContact CG1-CD1 3.82Å; V20-L24 HydrophobicContact CG1-CG 4.39Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.49Å; V20-L24 PolarHBondContact O-N 3.2Å; L24-L28 HydrophobicContact CD2-CD1 3.56Å; L24-K41 HydrophobicContact CD2-CB 4.4Å; L24-K41 WeakPolarHBondContact O-CD 3.44Å; L24-K41 WeakPolarHBondContact O-CE 3.5Å; L24-R45 HydrophobicContact CD1-CB 4.13Å; L24-R45 HydrophobicContact CD1-CG 4.04Å; L24-V48 HydrophobicContact CD2-CB 3.98Å; L24-V48 HydrophobicContact CD2-CG1 4.27Å; L24-V48 HydrophobicContact CD2-CG2 3.72Å; L24-V48 HydrophobicContact CG-CB 4.37Å; L24-V48 HydrophobicContact CG-CG1 4.15Å; L24-V48 HydrophobicContact CG-CG2 4.47Å |
| 25 | N | 92.9 | Very high | 89.2 | Confident | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -93.8 | -27.1 | -174.2 | -71.9 | -53.7 | 0 | 0 | 0 | 115.3 | D21 F22 V23 K41 | D21-N25 WeakPolarHBondContact O-CB 3.39Å; D21-N25 PolarHBondContact O-N 2.95Å; D21-N25 PolarHBondContact O-ND2 3.33Å; F22-N25 PolarHBondContact O-N 3.27Å; V23-N25 PolarHBondContact O-N 3.18Å; V23-N25 VanDerWaalsContact O-N 3.15Å; N25-K41 PolarHBondContact OD1-NZ 3.42Å |
| 26 | N | 92.4 | Very high | 88.2 | Confident | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -117 | -25.3 | -171.5 | -60.2 | -91.4 | 0 | 0 | 0 | 113.5 | F22 V23 S118 P119 | F22-N26 HydrophobicContact CD1-CB 4.49Å; F22-N26 WeakPolarHBondContact CD2-ND2 3.4Å; F22-N26 HydrophobicContact CE1-CB 4.15Å; F22-N26 HydrophobicContact CE2-CB 4.32Å; F22-N26 HydrophobicContact CZ-CB 4.06Å; F22-N26 WeakPolarHBondContact O-CB 3.33Å; F22-N26 PolarHBondContact O-N 3.48Å; F22-N26 PolarHBondContact O-ND2 2.93Å; V23-N26 PolarHBondContact O-N 2.85Å; N26-S118 WeakPolarHBondContact OD1-CA 3.43Å; N26-S118 PolarHBondContact OD1-OG 2.88Å; N26-P119 WeakPolarHBondContact OD1-CD 3.15Å |
| 27 | Y | 88.4 | Confident | 87.2 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -61.7 | 179.6 | -179.5 | -104.1 | 0 | 0 | 0 | 112 | V23 P29 R30 E31 L114 | V23-Y27 HydrophobicContact CG1-CD1 4.3Å; V23-Y27 WeakPolarHBondContact O-CA 3.25Å; V23-Y27 WeakPolarHBondContact O-CB 3.4Å; V23-Y27 PolarHBondContact O-N 2.91Å; Y27-P29 VanDerWaalsContact C-CD 3.45Å; Y27-R30 CarbonylContact O-C 3.48Å; Y27-R30 WeakPolarHBondContact O-CA 3.38Å; Y27-R30 PolarHBondContact O-N 3.18Å; Y27-E31 HydrophobicContact CD1-CB 4.19Å; Y27-E31 HydrophobicContact CD1-CG 4.3Å; Y27-E31 HydrophobicContact CE1-CB 3.78Å; Y27-E31 HydrophobicContact CE1-CG 3.41Å; Y27-E31 VanDerWaalsContact CE1-CG 3.41Å; Y27-E31 HydrophobicContact CE2-CB 4.47Å; Y27-E31 HydrophobicContact CE2-CG 4.1Å; Y27-E31 PolarHBondContact O-N 2.8Å; Y27-E31 VanDerWaalsContact O-N 3.15Å; Y27-E31 WeakPolarHBondContact OH-CG 3.35Å; Y27-L114 HydrophobicContact CD1-CD1 3.33Å; Y27-L114 HydrophobicContact CD1-CG 4Å; Y27-L114 HydrophobicContact CD2-CD1 4.03Å; Y27-L114 HydrophobicContact CD2-CD2 4Å; Y27-L114 HydrophobicContact CD2-CG 3.75Å; Y27-L114 HydrophobicContact CE1-CD1 3.46Å; Y27-L114 VanDerWaalsContact CE1-CD1 3.46Å; Y27-L114 HydrophobicContact CE1-CG 3.97Å; Y27-L114 HydrophobicContact CE2-CD1 4.16Å; Y27-L114 HydrophobicContact CE2-CD2 4.41Å; Y27-L114 HydrophobicContact CE2-CG 3.74Å; Y27-L114 HydrophobicContact CG-CD1 3.61Å; Y27-L114 HydrophobicContact CG-CD2 4.11Å; Y27-L114 HydrophobicContact CG-CG 3.87Å |
| 28 | L | 82.6 | Confident | 86.2 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -52.5 | -43.9 | -170.9 | -67.8 | -173.9 | 0 | 0 | 0 | 114.5 | V23 L24 R30 E31 Y34 D44 V48 | V23-L28 PolarHBondContact O-N 3.08Å; L24-L28 HydrophobicContact CD2-CD1 3.56Å; L28-R30 PolarHBondContact O-N 3.41Å; L28-E31 PolarHBondContact O-N 3.28Å; L28-Y34 HydrophobicContact CB-CD1 3.86Å; L28-Y34 HydrophobicContact CB-CD2 4.42Å; L28-Y34 HydrophobicContact CB-CE1 3.82Å; L28-Y34 HydrophobicContact CB-CE2 4.38Å; L28-Y34 HydrophobicContact CB-CG 4.14Å; L28-Y34 HydrophobicContact CD1-CD2 4.28Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CE2 3.68Å; L28-Y34 HydrophobicContact CD2-CD2 3.66Å; L28-Y34 HydrophobicContact CD2-CE2 3.92Å; L28-Y34 HydrophobicContact CD2-CG 3.97Å; L28-Y34 HydrophobicContact CG-CD2 4.35Å; L28-Y34 HydrophobicContact CG-CE2 4.23Å; L28-Y34 VanDerWaalsContact O-CD1 3.29Å; L28-Y34 WeakPolarHBondContact O-CD1 3.42Å; L28-D44 HydrophobicContact CD1-CB 4.47Å; L28-V48 HydrophobicContact CD1-CG2 3.84Å; L28-V48 HydrophobicContact CD2-CG2 4.33Å; L28-V48 HydrophobicContact CG-CG2 4.36Å |
| 29 | P | 81 | Confident | 85.1 | Confident | 67 Ų | 67 | 43 Ų | 43 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -65.5 | -1.5 | 179.5 | -21.2 | 34.8 | 0 | 0 | 0 | 115 | Y27 | Y27-P29 VanDerWaalsContact C-CD 3.45Š|
| 30 | R | 80 | Confident | 84.3 | Confident | 151 Ų | 151 | 46.7 Ų | 46.7 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -131.3 | -1.1 | -175.3 | -59.8 | 178.4 | 174.2 | -149.9 | -12.9 | 112.4 | Y27 L28 P119 | Y27-R30 CarbonylContact O-C 3.48Å; Y27-R30 WeakPolarHBondContact O-CA 3.38Å; Y27-R30 PolarHBondContact O-N 3.18Å; L28-R30 PolarHBondContact O-N 3.41Å; R30-P119 VanDerWaalsContact NH2-CG 3.27Å |
| 31 | E | 80.8 | Confident | 83.7 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | trans | -83.4 | 121 | 177.5 | -159.5 | -67.2 | 130.1 | 0 | 0 | 108 | Y27 L28 L33 Y34 D35 T151 | Y27-E31 HydrophobicContact CD1-CB 4.19Å; Y27-E31 HydrophobicContact CD1-CG 4.3Å; Y27-E31 HydrophobicContact CE1-CB 3.78Å; Y27-E31 HydrophobicContact CE1-CG 3.41Å; Y27-E31 VanDerWaalsContact CE1-CG 3.41Å; Y27-E31 HydrophobicContact CE2-CB 4.47Å; Y27-E31 HydrophobicContact CE2-CG 4.1Å; Y27-E31 PolarHBondContact O-N 2.8Å; Y27-E31 VanDerWaalsContact O-N 3.15Å; Y27-E31 WeakPolarHBondContact OH-CG 3.35Å; L28-E31 PolarHBondContact O-N 3.28Å; E31-L33 PolarHBondContact O-N 3.38Å; E31-L33 PolarHBondContact OE1-N 2.92Å; E31-L33 VanDerWaalsContact OE2-CA 3.28Å; E31-L33 WeakPolarHBondContact OE2-CA 3.43Å; E31-L33 WeakPolarHBondContact OE2-CB 3.42Å; E31-L33 PolarHBondContact OE2-N 3.38Å; E31-Y34 PolarHBondContact O-N 2.92Å; E31-Y34 PolarHBondContact OE2-N 3.18Å; E31-D35 PolarHBondContact O-N 3.01Å; E31-T151 PolarHBondContact OE1-OG1 3.2Å | ||
| 32 | P | 76.6 | Confident | 83.2 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -41.6 | -173.1 | -28.7 | 35.6 | 0 | 0 | 0 | 114.8 | A36 C186 | P32-A36 WeakPolarHBondContact O-CB 3.42Å; P32-A36 PolarHBondContact O-N 3.03Å; P32-A36 VanDerWaalsContact O-N 3.08Å; P32-C186 VanDerWaalsContact C-SG 3.59Å; P32-C186 HydrophobicContact CB-CB 3.97Å; P32-C186 VanDerWaalsContact CB-SG 3.57Å; P32-C186 PolarHBondContact O-SG 3.33Å |
| 33 | L | 76.7 | Confident | 82.6 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.3 | -38.9 | -178.3 | -53.1 | 176.7 | 0 | 0 | 0 | 111.2 | E31 A36 L37 T151 Y172 F184 | E31-L33 PolarHBondContact O-N 3.38Å; E31-L33 PolarHBondContact OE1-N 2.92Å; E31-L33 VanDerWaalsContact OE2-CA 3.28Å; E31-L33 WeakPolarHBondContact OE2-CA 3.43Å; E31-L33 WeakPolarHBondContact OE2-CB 3.42Å; E31-L33 PolarHBondContact OE2-N 3.38Å; L33-A36 PolarHBondContact O-N 3.42Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.85Å; L33-T151 HydrophobicContact CD1-CG2 3.81Å; L33-T151 HydrophobicContact CG-CG2 4.2Å; L33-Y172 HydrophobicContact CD2-CD1 4.46Å; L33-Y172 HydrophobicContact CD2-CE1 3.71Å; L33-F184 HydrophobicContact CB-CD1 4.36Å; L33-F184 HydrophobicContact CB-CE1 4.25Å; L33-F184 HydrophobicContact CD2-CB 4.22Å; L33-F184 HydrophobicContact CD2-CD1 3.54Å; L33-F184 HydrophobicContact CD2-CD2 4.01Å; L33-F184 HydrophobicContact CD2-CE1 3.78Å; L33-F184 HydrophobicContact CD2-CE2 4.22Å; L33-F184 HydrophobicContact CD2-CG 3.66Å; L33-F184 HydrophobicContact CD2-CZ 4.11Å |
| 34 | Y | 78.5 | Confident | 82.3 | Confident | 26 Ų | 26 | 64 Ų | 64 | 10% | 0.102 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.7 | -171.2 | -91.9 | 0 | 0 | 0 | 111.6 | L28 E31 A36 L37 G38 T39 T40 K41 D44 | L28-Y34 HydrophobicContact CB-CD1 3.86Å; L28-Y34 HydrophobicContact CB-CD2 4.42Å; L28-Y34 HydrophobicContact CB-CE1 3.82Å; L28-Y34 HydrophobicContact CB-CE2 4.38Å; L28-Y34 HydrophobicContact CB-CG 4.14Å; L28-Y34 HydrophobicContact CD1-CD2 4.28Å; L28-Y34 HydrophobicContact CD1-CE1 4.24Å; L28-Y34 HydrophobicContact CD1-CE2 3.68Å; L28-Y34 HydrophobicContact CD2-CD2 3.66Å; L28-Y34 HydrophobicContact CD2-CE2 3.92Å; L28-Y34 HydrophobicContact CD2-CG 3.97Å; L28-Y34 HydrophobicContact CG-CD2 4.35Å; L28-Y34 HydrophobicContact CG-CE2 4.23Å; L28-Y34 VanDerWaalsContact O-CD1 3.29Å; L28-Y34 WeakPolarHBondContact O-CD1 3.42Å; E31-Y34 PolarHBondContact O-N 2.92Å; E31-Y34 PolarHBondContact OE2-N 3.18Å; Y34-A36 VanDerWaalsContact C-N 3.33Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-G38 PolarHBondContact O-N 2.89Å; Y34-T39 VanDerWaalsContact CE1-O 3.27Å; Y34-T39 WeakPolarHBondContact CE1-O 3.46Å; Y34-T39 HydrophobicContact CE2-CG2 3.58Å; Y34-T39 PolarHBondContact OH-O 3.36Å; Y34-T40 PolarHBondContact OH-O 2.95Å; Y34-K41 PolarHBondContact OH-N 3.19Å; Y34-D44 HydrophobicContact CE2-CB 3.85Å; Y34-D44 WeakPolarHBondContact CE2-OD2 3.39Å |
| 35 | D | 75.4 | Confident | 82.3 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173.9 | -164.5 | 46 | 0 | 0 | 0 | 110.6 | E31 L37 G38 | E31-D35 PolarHBondContact O-N 3.01Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.11Å; D35-G38 PolarHBondContact O-N 3.45Å |
| 36 | A | 76.2 | Confident | 82.3 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P32 L33 Y34 G38 F184 | P32-A36 WeakPolarHBondContact O-CB 3.42Å; P32-A36 PolarHBondContact O-N 3.03Å; P32-A36 VanDerWaalsContact O-N 3.08Å; L33-A36 PolarHBondContact O-N 3.42Å; Y34-A36 VanDerWaalsContact C-N 3.33Å; A36-G38 VanDerWaalsContact C-N 3.33Å; A36-F184 HydrophobicContact CB-CB 4.44Å; A36-F184 HydrophobicContact CB-CD1 4.24Å |
| 37 | L | 76.8 | Confident | 82.3 | Confident | 108 Ų | 108 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.4 | 179.8 | -69.4 | 171.5 | 0 | 0 | 0 | 113.8 | L33 Y34 D35 T39 | L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.85Å; Y34-L37 PolarHBondContact O-N 3.19Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.11Å; L37-T39 PolarHBondContact O-N 3.08Å; L37-T39 VanDerWaalsContact O-N 3.13Å |
| 38 | G | 76 | Confident | 82.6 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 28 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y34 D35 A36 | Y34-G38 PolarHBondContact O-N 2.89Å; D35-G38 PolarHBondContact O-N 3.45Å; A36-G38 VanDerWaalsContact C-N 3.33Å |
| 39 | T | 75.1 | Confident | 83.2 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | trans | -85 | 151.3 | -176.7 | -80.2 | 0 | 0 | 0 | 0 | 111.8 | Y34 L37 R43 D44 | Y34-T39 VanDerWaalsContact CE1-O 3.27Å; Y34-T39 WeakPolarHBondContact CE1-O 3.46Å; Y34-T39 HydrophobicContact CE2-CG2 3.58Å; Y34-T39 PolarHBondContact OH-O 3.36Å; L37-T39 PolarHBondContact O-N 3.08Å; L37-T39 VanDerWaalsContact O-N 3.13Å; T39-R43 HydrophobicContact CG2-CB 4.36Å; T39-D44 HydrophobicContact CG2-CB 3.78Å | ||
| 40 | T | 81.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | trans | -96.5 | 153 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | Y34 E42 R43 D44 | Y34-T40 PolarHBondContact OH-O 2.95Å; T40-E42 PolarHBondContact O-N 3.27Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 VanDerWaalsContact O-N 3.16Å; T40-R43 WeakPolarHBondContact OG1-CB 3.47Å; T40-R43 PolarHBondContact OG1-N 3.06Å; T40-D44 PolarHBondContact O-N 3.09Å; T40-D44 VanDerWaalsContact O-N 3.08Å | ||
| 41 | K | 84.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.4 | -38.9 | -179.3 | -64.2 | 178.8 | -178.5 | -180 | 0 | 111.8 | L24 N25 Y34 R43 D44 R45 | L24-K41 HydrophobicContact CD2-CB 4.4Å; L24-K41 WeakPolarHBondContact O-CD 3.44Å; L24-K41 WeakPolarHBondContact O-CE 3.5Å; N25-K41 PolarHBondContact OD1-NZ 3.42Å; Y34-K41 PolarHBondContact OH-N 3.19Å; K41-R43 VanDerWaalsContact C-N 3.34Å; K41-D44 PolarHBondContact O-N 2.94Å; K41-R45 PolarHBondContact O-N 3.03Å |
| 42 | E | 84.7 | Confident | 85.3 | Confident | 142 Ų | 142 | 63.6 Ų | 63.6 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | -178.6 | -68.4 | 64.4 | -147.8 | 0 | 0 | 110.7 | T40 | T40-E42 PolarHBondContact O-N 3.27Å |
| 43 | R | 85.6 | Confident | 86.2 | Confident | 188 Ų | 188 | 63.7 Ų | 63.7 | 71% | 0.709 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 177.3 | -175.9 | -179.9 | -179.5 | -170.5 | 0.1 | 111.7 | T39 T40 K41 P46 | T39-R43 HydrophobicContact CG2-CB 4.36Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 VanDerWaalsContact O-N 3.16Å; T40-R43 WeakPolarHBondContact OG1-CB 3.47Å; T40-R43 PolarHBondContact OG1-N 3.06Å; K41-R43 VanDerWaalsContact C-N 3.34Å; R43-P46 WeakPolarHBondContact O-CD 3.38Å |
| 44 | D | 88.3 | Confident | 87 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92.6 | -5.5 | -174.5 | -159.6 | 38.4 | 0 | 0 | 0 | 114.5 | L28 Y34 T39 T40 K41 P46 G47 V48 | L28-D44 HydrophobicContact CD1-CB 4.47Å; Y34-D44 HydrophobicContact CE2-CB 3.85Å; Y34-D44 WeakPolarHBondContact CE2-OD2 3.39Å; T39-D44 HydrophobicContact CG2-CB 3.78Å; T40-D44 PolarHBondContact O-N 3.09Å; T40-D44 VanDerWaalsContact O-N 3.08Å; K41-D44 PolarHBondContact O-N 2.94Å; D44-P46 VanDerWaalsContact C-CD 3.44Å; D44-P46 VanDerWaalsContact C-N 3.3Å; D44-G47 WeakPolarHBondContact O-CA 3.41Å; D44-G47 PolarHBondContact O-N 3.37Å; D44-V48 PolarHBondContact O-N 2.95Å |
| 45 | R | 93.4 | Very high | 87.8 | Confident | 89 Ų | 89 | 64 Ų | 64 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -48.5 | -45.3 | 177.7 | 177.1 | 177.4 | -69.9 | -85.4 | 4.8 | 113.1 | D21 L24 K41 G47 V48 T49 | D21-R45 IonicContact OD1-CZ 3.6Å; D21-R45 IonicContact OD1-NH1 3.74Å; D21-R45 PolarHBondContact OD1-NH1 2.85Å; D21-R45 IonicContact OD1-NH2 3.33Å; D21-R45 PolarHBondContact OD1-NH2 3.48Å; D21-R45 VanDerWaalsContact OD1-NH2 3.07Å; L24-R45 HydrophobicContact CD1-CB 4.13Å; L24-R45 HydrophobicContact CD1-CG 4.04Å; K41-R45 PolarHBondContact O-N 3.03Å; R45-G47 VanDerWaalsContact C-N 3.32Å; R45-G47 PolarHBondContact O-N 2.99Å; R45-V48 PolarHBondContact O-N 2.89Å; R45-T49 WeakPolarHBondContact O-CB 3.42Å; R45-T49 PolarHBondContact O-N 3.3Å; R45-T49 PolarHBondContact O-OG1 3.07Å |
| 46 | P | 94.3 | Very high | 88.8 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 176.3 | -23.2 | 35.1 | 0 | 0 | 0 | 113.4 | R43 D44 T49 S50 | R43-P46 WeakPolarHBondContact O-CD 3.38Å; D44-P46 VanDerWaalsContact C-CD 3.44Å; D44-P46 VanDerWaalsContact C-N 3.3Å; P46-T49 PolarHBondContact O-N 3.03Å; P46-S50 WeakPolarHBondContact O-CB 3.18Å; P46-S50 PolarHBondContact O-N 3.06Å |
| 47 | G | 92 | Very high | 89.5 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 38% | 0.381 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D44 R45 T49 S50 L51 | D44-G47 WeakPolarHBondContact O-CA 3.41Å; D44-G47 PolarHBondContact O-N 3.37Å; R45-G47 VanDerWaalsContact C-N 3.32Å; R45-G47 PolarHBondContact O-N 2.99Å; G47-T49 PolarHBondContact O-N 3.44Å; G47-S50 PolarHBondContact O-N 3.27Å; G47-L51 WeakPolarHBondContact O-CB 3.48Å; G47-L51 PolarHBondContact O-N 3.26Å |
| 48 | V | 93.8 | Very high | 90 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | 175 | 0 | 0 | 0 | 0 | 111.8 | V20 V23 L24 L28 D44 R45 S50 L51 V52 | V20-V48 HydrophobicContact CG1-CG1 4.19Å; V20-V48 HydrophobicContact CG2-CG1 4.5Å; V23-V48 HydrophobicContact CB-CG1 3.91Å; V23-V48 HydrophobicContact CG1-CG1 3.55Å; V23-V48 HydrophobicContact CG1-CG2 4.32Å; L24-V48 HydrophobicContact CD2-CB 3.98Å; L24-V48 HydrophobicContact CD2-CG1 4.27Å; L24-V48 HydrophobicContact CD2-CG2 3.72Å; L24-V48 HydrophobicContact CG-CB 4.37Å; L24-V48 HydrophobicContact CG-CG1 4.15Å; L24-V48 HydrophobicContact CG-CG2 4.47Å; L28-V48 HydrophobicContact CD1-CG2 3.84Å; L28-V48 HydrophobicContact CD2-CG2 4.33Å; L28-V48 HydrophobicContact CG-CG2 4.36Å; D44-V48 PolarHBondContact O-N 2.95Å; R45-V48 PolarHBondContact O-N 2.89Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 3.47Å; V48-L51 PolarHBondContact O-N 3.37Å; V48-V52 HydrophobicContact CG1-CG2 4.1Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.14Å |
| 49 | T | 96.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | R45 P46 G47 V52 D53 | R45-T49 WeakPolarHBondContact O-CB 3.42Å; R45-T49 PolarHBondContact O-N 3.3Å; R45-T49 PolarHBondContact O-OG1 3.07Å; P46-T49 PolarHBondContact O-N 3.03Å; G47-T49 PolarHBondContact O-N 3.44Å; T49-V52 PolarHBondContact O-N 3.26Å; T49-D53 VanDerWaalsContact O-CB 3.25Å; T49-D53 WeakPolarHBondContact O-CB 3.18Å; T49-D53 PolarHBondContact O-N 2.85Å |
| 50 | S | 95.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | P46 G47 V48 V52 D53 V54 | P46-S50 WeakPolarHBondContact O-CB 3.18Å; P46-S50 PolarHBondContact O-N 3.06Å; G47-S50 PolarHBondContact O-N 3.27Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 3.47Å; S50-V52 PolarHBondContact O-N 2.98Å; S50-D53 PolarHBondContact O-N 2.75Å; S50-V54 WeakPolarHBondContact O-CG2 3.45Å; S50-V54 PolarHBondContact O-N 2.9Å |
| 51 | L | 93.4 | Very high | 92.5 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 177.5 | -178.7 | 150.9 | 0 | 0 | 0 | 111.6 | G47 V48 T55 L76 T113 | G47-L51 WeakPolarHBondContact O-CB 3.48Å; G47-L51 PolarHBondContact O-N 3.26Å; V48-L51 PolarHBondContact O-N 3.37Å; L51-T55 HydrophobicContact CD2-CG2 4.46Å; L51-T55 VanDerWaalsContact O-CG2 3.23Å; L51-T55 WeakPolarHBondContact O-CG2 3.47Å; L51-T55 PolarHBondContact O-N 2.92Å; L51-T55 PolarHBondContact O-OG1 2.89Å; L51-L76 HydrophobicContact CD2-CD1 3.75Å; L51-T113 HydrophobicContact CD1-CG2 3.95Å; L51-T113 HydrophobicContact CD2-CG2 4.15Å; L51-T113 HydrophobicContact CG-CG2 4.05Å |
| 52 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 110 | L16 L19 V20 V23 V48 T49 S50 V54 T55 L56 L76 | L16-V52 HydrophobicContact CD1-CB 3.9Å; L16-V52 HydrophobicContact CD1-CG1 3.6Å; L19-V52 HydrophobicContact CB-CG1 3.8Å; V20-V52 HydrophobicContact CG2-CB 3.77Å; V20-V52 HydrophobicContact CG2-CG1 4.14Å; V20-V52 HydrophobicContact CG2-CG2 3.79Å; V23-V52 HydrophobicContact CG2-CG2 4.39Å; V48-V52 HydrophobicContact CG1-CG2 4.1Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.14Å; T49-V52 PolarHBondContact O-N 3.26Å; S50-V52 PolarHBondContact O-N 2.98Å; V52-V54 VanDerWaalsContact C-N 3.33Å; V52-V54 PolarHBondContact O-N 3.31Å; V52-T55 WeakPolarHBondContact CA-OG1 3.29Å; V52-T55 PolarHBondContact O-N 3.21Å; V52-T55 VanDerWaalsContact O-N 3.13Å; V52-T55 PolarHBondContact O-OG1 2.9Å; V52-L56 HydrophobicContact CG1-CD1 3.8Å; V52-L56 HydrophobicContact CG1-CG 4.11Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.13Å; V52-L56 VanDerWaalsContact O-N 3.1Å; V52-L76 HydrophobicContact CG2-CD1 3.78Å |
| 53 | D | 96.4 | Very high | 93.9 | Very high | 32 Ų | 32 | 49 Ų | 49 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.2 | -48.8 | 178.9 | -177 | 82.9 | 0 | 0 | 0 | 112.1 | M13 L16 T49 S50 T55 L56 R57 | M13-D53 VanDerWaalsContact CE-OD1 3.24Å; M13-D53 WeakPolarHBondContact CE-OD1 3.48Å; L16-D53 HydrophobicContact CD1-CB 4.1Å; T49-D53 VanDerWaalsContact O-CB 3.25Å; T49-D53 WeakPolarHBondContact O-CB 3.18Å; T49-D53 PolarHBondContact O-N 2.85Å; S50-D53 PolarHBondContact O-N 2.75Å; D53-T55 PolarHBondContact O-N 3.26Å; D53-L56 PolarHBondContact O-N 3.1Å; D53-R57 WeakPolarHBondContact O-CG 3.46Å; D53-R57 PolarHBondContact O-N 3.23Å; D53-R57 IonicContact OD2-CZ 3.25Å; D53-R57 VanDerWaalsContact OD2-CZ 3.25Å; D53-R57 IonicContact OD2-NE 3.01Å; D53-R57 PolarHBondContact OD2-NE 3.33Å; D53-R57 IonicContact OD2-NH2 2.69Å; D53-R57 PolarHBondContact OD2-NH2 3.45Å |
| 54 | V | 92.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | S50 V52 L56 R57 | S50-V54 WeakPolarHBondContact O-CG2 3.45Å; S50-V54 PolarHBondContact O-N 2.9Å; V52-V54 VanDerWaalsContact C-N 3.33Å; V52-V54 PolarHBondContact O-N 3.31Å; V54-L56 PolarHBondContact O-N 3.31Å; V54-L56 VanDerWaalsContact O-N 3.14Å; V54-R57 WeakPolarHBondContact O-CB 3.41Å; V54-R57 PolarHBondContact O-N 2.73Å; V54-R57 VanDerWaalsContact O-N 3.16Å |
| 55 | T | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -13.7 | -176.6 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | L51 V52 D53 S61 L76 N77 S78 T113 | L51-T55 HydrophobicContact CD2-CG2 4.46Å; L51-T55 VanDerWaalsContact O-CG2 3.23Å; L51-T55 WeakPolarHBondContact O-CG2 3.47Å; L51-T55 PolarHBondContact O-N 2.92Å; L51-T55 PolarHBondContact O-OG1 2.89Å; V52-T55 WeakPolarHBondContact CA-OG1 3.29Å; V52-T55 PolarHBondContact O-N 3.21Å; V52-T55 VanDerWaalsContact O-N 3.13Å; V52-T55 PolarHBondContact O-OG1 2.9Å; D53-T55 PolarHBondContact O-N 3.26Å; T55-S61 PolarHBondContact O-OG 2.73Å; T55-L76 HydrophobicContact CG2-CB 3.91Å; T55-N77 WeakPolarHBondContact CB-O 3.01Å; T55-S78 WeakPolarHBondContact CG2-OG 3.22Å; T55-T113 HydrophobicContact CG2-CG2 4.34Å |
| 56 | L | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -90.8 | -21.7 | 176.9 | -67.4 | -177.6 | 0 | 0 | 0 | 113.2 | A11 M13 L16 L19 V52 D53 V54 D58 S59 | A11-L56 HydrophobicContact CB-CD2 3.29Å; M13-L56 HydrophobicContact SD-CB 3.5Å; M13-L56 WeakPolarHBondContact SD-CB 3.24Å; M13-L56 HydrophobicContact SD-CD1 4.4Å; L16-L56 HydrophobicContact CB-CD1 3.87Å; L16-L56 HydrophobicContact CD1-CD1 4.01Å; L19-L56 HydrophobicContact CD1-CD1 4.35Å; L19-L56 HydrophobicContact CD1-CD2 3.83Å; V52-L56 HydrophobicContact CG1-CD1 3.8Å; V52-L56 HydrophobicContact CG1-CG 4.11Å; V52-L56 VanDerWaalsContact O-CG 3.29Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.13Å; V52-L56 VanDerWaalsContact O-N 3.1Å; D53-L56 PolarHBondContact O-N 3.1Å; V54-L56 PolarHBondContact O-N 3.31Å; V54-L56 VanDerWaalsContact O-N 3.14Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 2.79Å; L56-S59 PolarHBondContact O-N 2.69Å |
| 57 | R | 91.6 | Very high | 94.8 | Very high | 166 Ų | 166 | 42.3 Ų | 42.3 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.4 | -35.4 | 179.8 | -67.8 | 172.1 | -172.5 | -156.6 | 1.6 | 112.1 | M13 D53 V54 | M13-R57 HydrophobicContact CE-CG 4.36Å; D53-R57 WeakPolarHBondContact O-CG 3.46Å; D53-R57 PolarHBondContact O-N 3.23Å; D53-R57 IonicContact OD2-CZ 3.25Å; D53-R57 VanDerWaalsContact OD2-CZ 3.25Å; D53-R57 IonicContact OD2-NE 3.01Å; D53-R57 PolarHBondContact OD2-NE 3.33Å; D53-R57 IonicContact OD2-NH2 2.69Å; D53-R57 PolarHBondContact OD2-NH2 3.45Å; V54-R57 WeakPolarHBondContact O-CB 3.41Å; V54-R57 PolarHBondContact O-N 2.73Å; V54-R57 VanDerWaalsContact O-N 3.16Å |
| 58 | D | 87.1 | Confident | 94.8 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.8 | -176.3 | -62 | -29.9 | 0 | 0 | 0 | 113.8 | L56 V60 L79 | L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 2.79Å; D58-V60 HydrophobicContact CB-CG2 3.78Å; D58-V60 PolarHBondContact O-N 3.05Å; D58-V60 VanDerWaalsContact O-N 3.09Å; D58-L79 HydrophobicContact CB-CB 4.01Å; D58-L79 PolarHBondContact OD2-N 3.1Å |
| 59 | S | 91.2 | Very high | 94.8 | Very high | 53 Ų | 53 | 45 Ų | 45 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 114.5 | V10 L56 | V10-S59 WeakPolarHBondContact CG1-O 3.29Å; L56-S59 PolarHBondContact O-N 2.69Å |
| 60 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -108.7 | -9.8 | 176.7 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | D58 N77 M110 R137 L141 | D58-V60 HydrophobicContact CB-CG2 3.78Å; D58-V60 PolarHBondContact O-N 3.05Å; D58-V60 VanDerWaalsContact O-N 3.09Å; V60-N77 HydrophobicContact CB-CB 4.2Å; V60-N77 HydrophobicContact CG2-CB 3.71Å; V60-N77 WeakPolarHBondContact CG2-O 3.24Å; V60-N77 PolarHBondContact O-ND2 2.95Å; V60-M110 HydrophobicContact CB-CE 3.86Å; V60-M110 HydrophobicContact CG1-CE 3.79Å; V60-R137 HydrophobicContact CG1-CG 4.34Å; V60-L141 HydrophobicContact CG1-CD1 3.38Å | ||
| 61 | S | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -73.3 | 143.5 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | A11 T55 V75 L76 N77 | A11-S61 WeakPolarHBondContact CB-O 3.36Å; A11-S61 PolarHBondContact N-O 3.28Å; T55-S61 PolarHBondContact O-OG 2.73Å; S61-V75 WeakPolarHBondContact CA-O 3.33Å; S61-L76 WeakPolarHBondContact OG-CA 3.32Å; S61-N77 PolarHBondContact OG-N 3.46Å; S61-N77 PolarHBondContact OG-O 3.37Å | ||
| 62 | L | 98.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.4 | -174.8 | -52.5 | 172.4 | 0 | 0 | 0 | 111 | L8 Q9 V10 C74 V75 L130 A133 | L8-L62 HydrophobicContact CD1-CB 4.17Å; Q9-L62 WeakPolarHBondContact O-CA 3.07Å; V10-L62 HydrophobicContact CB-CD2 4.44Å; V10-L62 HydrophobicContact CG2-CD2 3.93Å; L62-C74 CarbonylContact O-C 3.58Å; L62-C74 WeakPolarHBondContact O-CA 3.47Å; L62-V75 HydrophobicContact CB-CG1 3.82Å; L62-V75 HydrophobicContact CD1-CG1 4.49Å; L62-V75 HydrophobicContact CG-CG1 4.37Å; L62-V75 PolarHBondContact N-O 2.84Å; L62-V75 PolarHBondContact O-N 2.85Å; L62-V75 VanDerWaalsContact O-O 3.1Å; L62-L130 HydrophobicContact CB-CD2 3.94Å; L62-A133 HydrophobicContact CD1-CB 3.53Å |
| 63 | F | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.8 | 174.9 | 70.3 | -78.8 | 0 | 0 | 0 | 112.4 | L8 Q9 A11 L19 R65 I71 A73 C74 | L8-F63 CarbonylContact C-O 3.5Å; L8-F63 WeakPolarHBondContact CA-O 3.38Å; Q9-F63 HydrophobicContact CB-CD1 4.13Å; Q9-F63 HydrophobicContact CB-CE1 3.58Å; Q9-F63 HydrophobicContact CB-CE2 4.13Å; Q9-F63 HydrophobicContact CB-CZ 3.6Å; Q9-F63 HydrophobicContact CG-CZ 4.28Å; Q9-F63 PolarHBondContact N-O 2.88Å; Q9-F63 PolarHBondContact O-N 2.7Å; A11-F63 HydrophobicContact CB-CD1 3.88Å; A11-F63 HydrophobicContact CB-CE1 4.17Å; L19-F63 HydrophobicContact CD2-CB 4.42Å; F63-R65 HydrophobicContact CD2-CG 4.15Å; F63-R65 HydrophobicContact CE2-CG 3.66Å; F63-I71 HydrophobicContact CB-CG2 4.39Å; F63-I71 HydrophobicContact CD2-CD1 4.15Å; F63-I71 HydrophobicContact CD2-CG1 3.84Å; F63-I71 HydrophobicContact CD2-CG2 4.37Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; F63-I71 HydrophobicContact CE2-CG1 4.13Å; F63-A73 CarbonylContact C-O 3.59Å; F63-A73 VanDerWaalsContact CA-O 3.24Å; F63-A73 WeakPolarHBondContact CA-O 3.36Å; F63-A73 WeakPolarHBondContact CB-O 3.44Å; F63-C74 HydrophobicContact CB-CB 3.89Å |
| 64 | F | 98.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.8 | 171.3 | -82.5 | -71.1 | 0 | 0 | 0 | 110.1 | I7 L8 I71 A72 A73 L126 K129 L130 | I7-F64 CarbonylContact O-C 3.57Å; I7-F64 VanDerWaalsContact O-CA 3.29Å; I7-F64 WeakPolarHBondContact O-CA 3.5Å; L8-F64 HydrophobicContact CB-CD1 4.01Å; L8-F64 HydrophobicContact CB-CE1 3.54Å; L8-F64 HydrophobicContact CB-CZ 4.03Å; L8-F64 HydrophobicContact CD1-CD1 4.33Å; L8-F64 HydrophobicContact CD1-CD2 4.25Å; L8-F64 HydrophobicContact CD1-CE1 4.06Å; L8-F64 HydrophobicContact CD1-CE2 3.95Å; L8-F64 HydrophobicContact CD1-CG 4.43Å; L8-F64 HydrophobicContact CD1-CZ 3.84Å; L8-F64 HydrophobicContact CG-CE1 4.34Å; L8-F64 HydrophobicContact CG-CZ 4.38Å; F64-I71 WeakPolarHBondContact O-CA 3.42Å; F64-A72 HydrophobicContact CB-CB 4.48Å; F64-A72 PolarHBondContact O-N 3.02Å; F64-A73 PolarHBondContact N-O 3.08Å; F64-L126 HydrophobicContact CD2-CB 4.28Å; F64-L126 HydrophobicContact CD2-CD2 4.04Å; F64-L126 HydrophobicContact CE2-CD2 4.22Å; F64-L126 HydrophobicContact CG-CD2 4.27Å; F64-K129 HydrophobicContact CE2-CB 3.86Å; F64-K129 HydrophobicContact CZ-CB 3.93Å; F64-K129 HydrophobicContact CZ-CD 4.17Å; F64-L130 HydrophobicContact CD2-CD1 4.25Å; F64-L130 HydrophobicContact CD2-CD2 3.8Å; F64-L130 HydrophobicContact CD2-CG 3.78Å; F64-L130 HydrophobicContact CE2-CD2 3.95Å; F64-L130 HydrophobicContact CE2-CG 3.82Å |
| 65 | R | 97.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.6 | 160.1 | -69.1 | -170.4 | -174.1 | -78.8 | -8.4 | 111.2 | Y6 I7 Q9 E18 F63 G69 K70 | Y6-R65 CarbonylContact C-O 3.52Å; Y6-R65 WeakPolarHBondContact CA-O 3.16Å; I7-R65 PolarHBondContact N-O 3.01Å; I7-R65 PolarHBondContact O-N 2.82Å; Q9-R65 VanDerWaalsContact OE1-CG 3.29Å; E18-R65 VanDerWaalsContact CD-NH1 3.28Å; E18-R65 IonicContact OE1-CZ 3.9Å; E18-R65 IonicContact OE1-NH1 4Å; E18-R65 PolarHBondContact OE1-NH1 2.83Å; E18-R65 IonicContact OE1-NH2 2.66Å; E18-R65 IonicContact OE2-CZ 2.69Å; E18-R65 IonicContact OE2-NH1 2.77Å; E18-R65 PolarHBondContact OE2-NH1 2.92Å; E18-R65 IonicContact OE2-NH2 2.7Å; E18-R65 PolarHBondContact OE2-NH2 2.92Å; F63-R65 HydrophobicContact CD2-CG 4.15Å; F63-R65 HydrophobicContact CE2-CG 3.66Å; R65-G69 WeakPolarHBondContact CD-O 3.02Å; R65-G69 PolarHBondContact NH1-O 3.08Å; R65-K70 CarbonylContact C-O 3.52Å; R65-K70 VanDerWaalsContact CA-O 3.23Å; R65-K70 WeakPolarHBondContact CA-O 3.41Å |
| 66 | D | 94.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 176.9 | 165.8 | 68.5 | 21.8 | 0 | 0 | 0 | 111.9 | Y6 G68 G69 K70 A72 | Y6-D66 HydrophobicContact CD1-CB 4.16Å; Y6-D66 HydrophobicContact CE1-CB 3.91Å; D66-G68 PolarHBondContact O-N 3Å; D66-G68 VanDerWaalsContact OD1-C 3.28Å; D66-G68 WeakPolarHBondContact OD1-CA 3.39Å; D66-G68 PolarHBondContact OD1-N 3.41Å; D66-G69 PolarHBondContact O-N 3.49Å; D66-G69 PolarHBondContact OD1-N 3.1Å; D66-G69 VanDerWaalsContact OD1-N 3.08Å; D66-K70 PolarHBondContact N-O 2.86Å; D66-K70 PolarHBondContact OD1-N 2.98Å; D66-A72 HydrophobicContact CB-CB 4.36Å |
| 67 | K | 91.5 | Very high | 95.6 | Very high | 171 Ų | 171 | 39.4 Ų | 39.4 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21 | 176.1 | -66.1 | -171.8 | 177 | -176.4 | 0 | 114.3 | ||
| 68 | G | 92.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 67% | 0.67 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 3.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D66 K70 | D66-G68 PolarHBondContact O-N 3Å; D66-G68 VanDerWaalsContact OD1-C 3.28Å; D66-G68 WeakPolarHBondContact OD1-CA 3.39Å; D66-G68 PolarHBondContact OD1-N 3.41Å; G68-K70 VanDerWaalsContact C-N 3.29Å; G68-K70 PolarHBondContact O-N 3.4Å |
| 69 | G | 93.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 37% | 0.371 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 77 | 10.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R65 D66 | R65-G69 WeakPolarHBondContact CD-O 3.02Å; R65-G69 PolarHBondContact NH1-O 3.08Å; D66-G69 PolarHBondContact O-N 3.49Å; D66-G69 PolarHBondContact OD1-N 3.1Å; D66-G69 VanDerWaalsContact OD1-N 3.08Å |
| 70 | K | 95.3 | Very high | 95.8 | Very high | 145 Ų | 145 | 30.2 Ų | 30.2 | 63% | 0.63 | 17% | 0.169 | S | C | * | . | trans | -93.6 | 147.4 | -179.7 | -63.7 | -173.3 | 178.7 | -174.9 | 0 | 111.3 | R65 D66 G68 A72 | R65-K70 CarbonylContact C-O 3.52Å; R65-K70 VanDerWaalsContact CA-O 3.23Å; R65-K70 WeakPolarHBondContact CA-O 3.41Å; D66-K70 PolarHBondContact N-O 2.86Å; D66-K70 PolarHBondContact OD1-N 2.98Å; G68-K70 VanDerWaalsContact C-N 3.29Å; G68-K70 PolarHBondContact O-N 3.4Å; K70-A72 PolarHBondContact O-N 2.81Å | ||
| 71 | I | 97.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 124.7 | 171.3 | -57.8 | -177.5 | 0 | 0 | 0 | 109.4 | E18 L19 F22 F63 F64 | E18-I71 HydrophobicContact CB-CD1 4.21Å; E18-I71 HydrophobicContact CG-CD1 3.68Å; E18-I71 HydrophobicContact CG-CG1 4.12Å; L19-I71 HydrophobicContact CD2-CD1 3.67Å; L19-I71 HydrophobicContact CG-CD1 3.84Å; F22-I71 HydrophobicContact CB-CG2 4.39Å; F22-I71 HydrophobicContact CD1-CG2 4.05Å; F22-I71 HydrophobicContact CD2-CB 3.73Å; F22-I71 HydrophobicContact CD2-CG2 3.54Å; F22-I71 HydrophobicContact CE1-CG2 4.2Å; F22-I71 HydrophobicContact CE2-CB 4.17Å; F22-I71 HydrophobicContact CE2-CG2 3.72Å; F22-I71 WeakPolarHBondContact CE2-O 3.5Å; F22-I71 HydrophobicContact CG-CB 4.17Å; F22-I71 HydrophobicContact CG-CG2 3.72Å; F22-I71 HydrophobicContact CZ-CG2 4.05Å; F63-I71 HydrophobicContact CB-CG2 4.39Å; F63-I71 HydrophobicContact CD2-CD1 4.15Å; F63-I71 HydrophobicContact CD2-CG1 3.84Å; F63-I71 HydrophobicContact CD2-CG2 4.37Å; F63-I71 HydrophobicContact CE2-CD1 4.44Å; F63-I71 HydrophobicContact CE2-CG1 4.13Å; F64-I71 WeakPolarHBondContact O-CA 3.42Å |
| 72 | A | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y6 F64 D66 K70 S118 L126 | Y6-A72 HydrophobicContact CD1-CB 3.6Å; Y6-A72 HydrophobicContact CE1-CB 3.47Å; Y6-A72 VanDerWaalsContact CE1-CB 3.47Å; F64-A72 HydrophobicContact CB-CB 4.48Å; F64-A72 PolarHBondContact O-N 3.02Å; D66-A72 HydrophobicContact CB-CB 4.36Å; K70-A72 PolarHBondContact O-N 2.81Å; A72-S118 VanDerWaalsContact O-CB 3.29Å; A72-S118 WeakPolarHBondContact O-CB 3.47Å; A72-S118 PolarHBondContact O-N 2.83Å; A72-L126 HydrophobicContact CB-CD1 4.27Å |
| 73 | A | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 150.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F63 F64 S116 V117 L126 L130 | F63-A73 CarbonylContact C-O 3.59Å; F63-A73 VanDerWaalsContact CA-O 3.24Å; F63-A73 WeakPolarHBondContact CA-O 3.36Å; F63-A73 WeakPolarHBondContact CB-O 3.44Å; F64-A73 PolarHBondContact N-O 3.08Å; A73-S116 CarbonylContact C-O 3.36Å; A73-S116 VanDerWaalsContact CA-O 3.22Å; A73-S116 WeakPolarHBondContact CA-O 3.26Å; A73-S116 WeakPolarHBondContact CB-O 3.39Å; A73-V117 HydrophobicContact CB-CB 4.3Å; A73-V117 HydrophobicContact CB-CG1 4.28Å; A73-V117 HydrophobicContact CB-CG2 3.91Å; A73-L126 HydrophobicContact CB-CB 4Å; A73-L126 HydrophobicContact CB-CD1 4.14Å; A73-L130 HydrophobicContact CB-CD1 3.6Å |
| 74 | C | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 153.3 | 172.7 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | L19 F22 L62 F63 S116 | L19-C74 HydrophobicContact CD2-CB 3.74Å; F22-C74 VanDerWaalsContact CD1-SG 3.57Å; F22-C74 HydrophobicContact CE1-CB 4.44Å; L62-C74 CarbonylContact O-C 3.58Å; L62-C74 WeakPolarHBondContact O-CA 3.47Å; F63-C74 HydrophobicContact CB-CB 3.89Å; C74-S116 PolarHBondContact N-O 2.95Å; C74-S116 PolarHBondContact O-N 2.96Å |
| 75 | V | 98.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.3 | 161.7 | 65.6 | 0 | 0 | 0 | 0 | 107.1 | S61 L62 N77 V112 L114 L115 L130 I131 S134 | S61-V75 WeakPolarHBondContact CA-O 3.33Å; L62-V75 HydrophobicContact CB-CG1 3.82Å; L62-V75 HydrophobicContact CD1-CG1 4.49Å; L62-V75 HydrophobicContact CG-CG1 4.37Å; L62-V75 PolarHBondContact N-O 2.84Å; L62-V75 PolarHBondContact O-N 2.85Å; L62-V75 VanDerWaalsContact O-O 3.1Å; V75-N77 WeakPolarHBondContact CG2-OD1 3.18Å; V75-V112 HydrophobicContact CG2-CG1 3.71Å; V75-L114 CarbonylContact C-O 3.51Å; V75-L114 VanDerWaalsContact CA-O 3.29Å; V75-L114 WeakPolarHBondContact CA-O 3.46Å; V75-L115 HydrophobicContact CB-CD1 3.87Å; V75-L115 HydrophobicContact CG2-CD1 4.07Å; V75-L130 HydrophobicContact CB-CB 4.1Å; V75-L130 HydrophobicContact CG1-CB 3.9Å; V75-L130 HydrophobicContact CG1-CD2 4.02Å; V75-L130 HydrophobicContact CG1-CG 4.42Å; V75-I131 HydrophobicContact CG2-CD1 4.1Å; V75-S134 WeakPolarHBondContact CG1-OG 3.33Å |
| 76 | L | 97.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.7 | 173.9 | -56.9 | -179.6 | 0 | 0 | 0 | 107.8 | L19 V23 L51 V52 T55 S61 T113 L114 | L19-L76 HydrophobicContact CD1-CD2 4.43Å; L19-L76 HydrophobicContact CD2-CD2 4.45Å; V23-L76 HydrophobicContact CG2-CD1 4.12Å; L51-L76 HydrophobicContact CD2-CD1 3.75Å; V52-L76 HydrophobicContact CG2-CD1 3.78Å; T55-L76 HydrophobicContact CG2-CB 3.91Å; S61-L76 WeakPolarHBondContact OG-CA 3.32Å; L76-T113 PolarHBondContact O-N 3.09Å; L76-L114 HydrophobicContact CB-CB 4.13Å; L76-L114 HydrophobicContact CD1-CB 4.3Å; L76-L114 HydrophobicContact CD1-CD2 4.44Å; L76-L114 HydrophobicContact CG-CB 4.38Å; L76-L114 HydrophobicContact CG-CD2 4.47Å; L76-L114 PolarHBondContact N-O 3.23Å; L76-L114 PolarHBondContact O-N 2.79Å |
| 77 | N | 96.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.7 | 180 | -56.8 | -50.2 | 0 | 0 | 0 | 109.3 | T55 V60 S61 V75 M110 E111 S134 | T55-N77 WeakPolarHBondContact CB-O 3.01Å; V60-N77 HydrophobicContact CB-CB 4.2Å; V60-N77 HydrophobicContact CG2-CB 3.71Å; V60-N77 WeakPolarHBondContact CG2-O 3.24Å; V60-N77 PolarHBondContact O-ND2 2.95Å; S61-N77 PolarHBondContact OG-N 3.46Å; S61-N77 PolarHBondContact OG-O 3.37Å; V75-N77 WeakPolarHBondContact CG2-OD1 3.18Å; N77-M110 HydrophobicContact CB-CG 4Å; N77-M110 HydrophobicContact CB-SD 3.99Å; N77-E111 CarbonylContact C-O 3.5Å; N77-E111 WeakPolarHBondContact CA-O 3.09Å; N77-S134 PolarHBondContact ND2-OG 2.9Å |
| 78 | S | 93.4 | Very high | 82.3 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.5 | 169.4 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | T55 M110 E111 T113 | T55-S78 WeakPolarHBondContact CG2-OG 3.22Å; S78-M110 WeakPolarHBondContact O-CA 3.21Å; S78-E111 PolarHBondContact N-O 2.78Å; S78-E111 PolarHBondContact O-N 2.79Å; S78-T113 PolarHBondContact OG-OG1 2.92Å |
| 79 | L | 91.6 | Very high | 80.8 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.1 | 172.6 | -166 | 70.5 | 0 | 0 | 0 | 108.6 | D58 F108 C143 | D58-L79 HydrophobicContact CB-CB 4.01Å; D58-L79 PolarHBondContact OD2-N 3.1Å; L79-F108 HydrophobicContact CD1-CB 3.61Å; L79-F108 HydrophobicContact CD1-CG 4.13Å; L79-F108 HydrophobicContact CD2-CB 4.23Å; L79-F108 HydrophobicContact CD2-CD1 3.97Å; L79-F108 HydrophobicContact CD2-CD2 4.06Å; L79-F108 HydrophobicContact CD2-CE1 4.36Å; L79-F108 HydrophobicContact CD2-CE2 4.44Å; L79-F108 HydrophobicContact CD2-CG 3.81Å; L79-F108 HydrophobicContact CG-CB 3.76Å; L79-F108 HydrophobicContact CG-CD1 3.88Å; L79-F108 HydrophobicContact CG-CD2 4.5Å; L79-F108 HydrophobicContact CG-CG 3.8Å; L79-C143 WeakPolarHBondContact CD1-SG 3.27Å |
| 80 | V | 88.2 | Confident | 79.5 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.5 | -173.2 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | F108 Y109 | V80-F108 CarbonylContact O-C 3.52Å; V80-F108 WeakPolarHBondContact O-CA 3.48Å; V80-Y109 HydrophobicContact CB-CD1 4.03Å; V80-Y109 HydrophobicContact CB-CD2 4.48Å; V80-Y109 HydrophobicContact CB-CE1 3.44Å; V80-Y109 VanDerWaalsContact CB-CE1 3.44Å; V80-Y109 HydrophobicContact CB-CE2 3.98Å; V80-Y109 VanDerWaalsContact CB-CZ 3.44Å; V80-Y109 HydrophobicContact CG1-CD1 4.43Å; V80-Y109 HydrophobicContact CG1-CE1 3.46Å; V80-Y109 VanDerWaalsContact CG1-CE1 3.46Å; V80-Y109 VanDerWaalsContact CG1-OH 3.32Å; V80-Y109 WeakPolarHBondContact CG1-OH 3.5Å; V80-Y109 HydrophobicContact CG2-CE1 4.46Å; V80-Y109 HydrophobicContact CG2-CE2 4.18Å; V80-Y109 PolarHBondContact N-O 3.03Å; V80-Y109 WeakPolarHBondContact O-CD1 3.29Å; V80-Y109 PolarHBondContact O-N 2.69Å |
| 81 | T | 87.5 | Confident | 78.2 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.8 | 177.1 | -16.7 | 0 | 0 | 0 | 0 | 110.3 | E83 S84 N107 F108 | T81-E83 VanDerWaalsContact C-N 3.34Å; T81-S84 WeakPolarHBondContact CB-OG 3.28Å; T81-S84 PolarHBondContact O-OG 3.11Å; T81-S84 PolarHBondContact OG1-OG 3.35Å; T81-S84 VanDerWaalsContact OG1-OG 3.06Å; T81-N107 CarbonylContact C-O 3.44Å; T81-N107 VanDerWaalsContact CA-O 3.31Å; T81-N107 WeakPolarHBondContact CA-O 3.32Å; T81-N107 VanDerWaalsContact CG2-O 3.28Å; T81-N107 WeakPolarHBondContact CG2-O 3.44Å; T81-F108 HydrophobicContact CG2-CD1 4.21Å; T81-F108 HydrophobicContact CG2-CE1 4.01Å |
| 82 | V | 80.4 | Confident | 77.2 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -66.8 | -38.3 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L103 A106 N107 Y109 A144 | V82-L103 HydrophobicContact CG1-CD2 4.17Å; V82-A106 WeakPolarHBondContact CG2-O 3.49Å; V82-N107 PolarHBondContact N-O 2.79Å; V82-Y109 HydrophobicContact CG2-CD1 4.3Å; V82-A144 HydrophobicContact CG2-CB 4.42Å |
| 83 | E | 72.7 | Confident | 76.1 | Confident | 183 Ų | 183 | 47.9 Ų | 47.9 | 86% | 0.855 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -33.2 | -178.5 | -64.3 | -171.7 | 159.4 | 0 | 0 | 114.1 | T81 G85 | T81-E83 VanDerWaalsContact C-N 3.34Å; E83-G85 PolarHBondContact O-N 3.48Å; E83-G85 VanDerWaalsContact O-N 3.13Å |
| 84 | S | 62 | Low | 75 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 51% | 0.51 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -2.9 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | T81 S86 | T81-S84 WeakPolarHBondContact CB-OG 3.28Å; T81-S84 PolarHBondContact O-OG 3.11Å; T81-S84 PolarHBondContact OG1-OG 3.35Å; T81-S84 VanDerWaalsContact OG1-OG 3.06Å; S84-S86 PolarHBondContact O-N 3.05Å |
| 85 | G | 50.7 | Low | 74.1 | Confident | 12 Ų | 12 | 51 Ų | 51 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -65.3 | 23.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | E83 I87 | E83-G85 PolarHBondContact O-N 3.48Å; E83-G85 VanDerWaalsContact O-N 3.13Å; G85-I87 PolarHBondContact O-N 3.35Å |
| 86 | S | 41.5 | Very low | 73.2 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 82% | 0.818 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -57.4 | -14.1 | 165.5 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | S84 | S84-S86 PolarHBondContact O-N 3.05Š|
| 87 | I | 40.3 | Very low | 72.3 | Confident | 160 Ų | 160 | 62.2 Ų | 62.2 | 82% | 0.821 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -141.5 | 58.8 | -175.3 | -48.3 | 174.9 | 0 | 0 | 0 | 112.4 | G85 | G85-I87 PolarHBondContact O-N 3.35Š|
| 88 | S | 54.1 | Low | 71.3 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 19% | 0.189 | 36% | 0.355 | C | S | . | . | trans | -140.9 | 115.7 | 143.9 | 103.8 | 0 | 0 | 0 | 0 | 108.9 | F90 L91 | S88-F90 PolarHBondContact O-N 3.28Å; S88-L91 PolarHBondContact O-N 3.09Å; S88-L91 WeakPolarHBondContact OG-CB 3.24Å; S88-L91 PolarHBondContact OG-N 3.03Å; S88-L91 VanDerWaalsContact OG-N 3.1Å | ||
| 89 | S | 60.9 | Low | 70.6 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -50.4 | -29.5 | 175.2 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | T93 | S89-T93 PolarHBondContact O-OG1 2.9Å; S89-T93 VanDerWaalsContact O-OG1 3.1Å |
| 90 | F | 66.8 | Low | 70 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.5 | -32.4 | -178.9 | -53.2 | -43.2 | 0 | 0 | 0 | 114.5 | S88 N92 T93 V94 L147 V149 I198 | S88-F90 PolarHBondContact O-N 3.28Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.36Å; F90-T93 VanDerWaalsContact O-CB 3.29Å; F90-T93 WeakPolarHBondContact O-CB 3.44Å; F90-T93 PolarHBondContact O-N 2.9Å; F90-V94 PolarHBondContact O-N 3.26Å; F90-L147 HydrophobicContact CB-CD2 4.43Å; F90-V149 HydrophobicContact CD2-CG2 4.29Å; F90-V149 HydrophobicContact CE2-CG2 4.38Å; F90-I198 HydrophobicContact CB-CD1 3.86Å; F90-I198 HydrophobicContact CD1-CD1 3.21Å; F90-I198 HydrophobicContact CD1-CG1 4.02Å; F90-I198 HydrophobicContact CE1-CD1 3.99Å; F90-I198 HydrophobicContact CG-CD1 3.84Å; F90-I198 HydrophobicContact CG-CG1 4.46Å |
| 91 | L | 68.5 | Low | 69.5 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 179.3 | -129.6 | 161.9 | 0 | 0 | 0 | 110.2 | S88 T93 V94 K95 Y109 F145 | S88-L91 PolarHBondContact O-N 3.09Å; S88-L91 WeakPolarHBondContact OG-CB 3.24Å; S88-L91 PolarHBondContact OG-N 3.03Å; S88-L91 VanDerWaalsContact OG-N 3.1Å; L91-T93 PolarHBondContact O-N 2.89Å; L91-V94 PolarHBondContact O-N 2.93Å; L91-K95 HydrophobicContact CD2-CD 4.48Å; L91-K95 HydrophobicContact CD2-CG 4.16Å; L91-K95 WeakPolarHBondContact O-CG 3.48Å; L91-K95 PolarHBondContact O-N 3.39Å; L91-Y109 HydrophobicContact CD1-CD1 4.23Å; L91-Y109 HydrophobicContact CD1-CE1 3.32Å; L91-Y109 WeakPolarHBondContact CD1-OH 3.46Å; L91-Y109 HydrophobicContact CG-CE1 3.96Å; L91-F145 HydrophobicContact CD2-CE1 4.39Å; L91-F145 HydrophobicContact CD2-CZ 3.91Å; L91-F145 HydrophobicContact CG-CZ 4.35Å |
| 92 | N | 75.2 | Confident | 69 | Low | 89 Ų | 89 | 67.9 Ų | 67.9 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 177.7 | -70.2 | -21.7 | 0 | 0 | 0 | 111.7 | F90 V94 K95 | F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.36Å; N92-V94 VanDerWaalsContact C-N 3.25Å; N92-V94 PolarHBondContact O-N 3.27Å; N92-K95 PolarHBondContact O-N 3.06Å; N92-K95 PolarHBondContact OD1-NZ 2.82Å |
| 93 | T | 75.4 | Confident | 69 | Low | 36 Ų | 36 | 68.4 Ų | 68.4 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -33.2 | 175.4 | -47.9 | 0 | 0 | 0 | 0 | 113.4 | S89 F90 L91 H97 Y168 I198 | S89-T93 PolarHBondContact O-OG1 2.9Å; S89-T93 VanDerWaalsContact O-OG1 3.1Å; F90-T93 VanDerWaalsContact O-CB 3.29Å; F90-T93 WeakPolarHBondContact O-CB 3.44Å; F90-T93 PolarHBondContact O-N 2.9Å; L91-T93 PolarHBondContact O-N 2.89Å; T93-H97 PolarHBondContact O-ND1 2.71Å; T93-Y168 HydrophobicContact CG2-CD1 4.26Å; T93-Y168 HydrophobicContact CG2-CD2 4.15Å; T93-Y168 HydrophobicContact CG2-CG 3.68Å; T93-I198 HydrophobicContact CG2-CD1 3.99Å |
| 94 | V | 75.8 | Confident | 69.2 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -89.2 | -29.6 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | F90 L91 N92 D96 H97 L98 F145 L147 A167 I198 F200 | F90-V94 PolarHBondContact O-N 3.26Å; L91-V94 PolarHBondContact O-N 2.93Å; N92-V94 VanDerWaalsContact C-N 3.25Å; N92-V94 PolarHBondContact O-N 3.27Å; V94-D96 PolarHBondContact O-N 3.17Å; V94-H97 WeakPolarHBondContact O-CA 3.38Å; V94-H97 WeakPolarHBondContact O-CB 3.39Å; V94-H97 PolarHBondContact O-N 3.39Å; V94-L98 HydrophobicContact CG1-CD1 3.85Å; V94-L98 HydrophobicContact CG1-CG 4.02Å; V94-L98 PolarHBondContact O-N 3.14Å; V94-F145 HydrophobicContact CG1-CD2 4.42Å; V94-F145 HydrophobicContact CG1-CE2 4.36Å; V94-L147 HydrophobicContact CG2-CD1 3.62Å; V94-A167 HydrophobicContact CG2-CB 3.93Å; V94-I198 HydrophobicContact CG2-CG2 3.5Å; V94-I198 VanDerWaalsContact CG2-CG2 3.5Å; V94-F200 HydrophobicContact CG1-CB 4.12Å; V94-F200 HydrophobicContact CG1-CD1 3.55Å; V94-F200 HydrophobicContact CG1-CD2 4.09Å; V94-F200 HydrophobicContact CG1-CE1 3.97Å; V94-F200 HydrophobicContact CG1-CE2 4.46Å; V94-F200 HydrophobicContact CG1-CG 3.63Å; V94-F200 HydrophobicContact CG1-CZ 4.41Å; V94-F200 HydrophobicContact CG2-CD1 4.46Å |
| 95 | K | 78.7 | Confident | 69.9 | Low | 67 Ų | 67 | 63.9 Ų | 63.9 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.8 | -41.9 | -179.4 | -77.9 | 178.2 | -171.4 | 166.9 | 0 | 112.8 | L91 N92 H97 L98 L103 | L91-K95 HydrophobicContact CD2-CD 4.48Å; L91-K95 HydrophobicContact CD2-CG 4.16Å; L91-K95 WeakPolarHBondContact O-CG 3.48Å; L91-K95 PolarHBondContact O-N 3.39Å; N92-K95 PolarHBondContact O-N 3.06Å; N92-K95 PolarHBondContact OD1-NZ 2.82Å; K95-H97 PolarHBondContact O-N 2.89Å; K95-H97 VanDerWaalsContact O-N 3.11Å; K95-L98 PolarHBondContact O-N 2.88Å; K95-L103 HydrophobicContact CB-CD1 4.26Å; K95-L103 HydrophobicContact CD-CD1 4.49Å; K95-L103 HydrophobicContact CG-CD1 3.78Å |
| 96 | D | 79.9 | Confident | 71.4 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 80% | 0.797 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.8 | -179.7 | -64.6 | -17.3 | 0 | 0 | 0 | 113.4 | V94 | V94-D96 PolarHBondContact O-N 3.17Š|
| 97 | H | 78.2 | Confident | 73.5 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.398 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -5.4 | 178.5 | -59.7 | 83.9 | 0 | 0 | 0 | 113.1 | T93 V94 K95 A167 F200 | T93-H97 PolarHBondContact O-ND1 2.71Å; V94-H97 WeakPolarHBondContact O-CA 3.38Å; V94-H97 WeakPolarHBondContact O-CB 3.39Å; V94-H97 PolarHBondContact O-N 3.39Å; K95-H97 PolarHBondContact O-N 2.89Å; K95-H97 VanDerWaalsContact O-N 3.11Å; H97-A167 PolarHBondContact CE1-O 3.29Å; H97-F200 HydrophobicContact CB-CE1 3.7Å; H97-F200 HydrophobicContact CB-CZ 3.51Å |
| 98 | L | 75.4 | Confident | 75.9 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -101.3 | 148.9 | -178.7 | -69.1 | 171.8 | 0 | 0 | 0 | 111 | V94 K95 P100 L103 F145 F200 | V94-L98 HydrophobicContact CG1-CD1 3.85Å; V94-L98 HydrophobicContact CG1-CG 4.02Å; V94-L98 PolarHBondContact O-N 3.14Å; K95-L98 PolarHBondContact O-N 2.88Å; L98-P100 WeakPolarHBondContact O-CD 3.18Å; L98-L103 HydrophobicContact CB-CD1 4.48Å; L98-L103 HydrophobicContact CD1-CD2 3.86Å; L98-L103 HydrophobicContact CD1-CG 4.29Å; L98-F145 HydrophobicContact CD1-CD1 3.3Å; L98-F145 HydrophobicContact CD1-CE1 3.52Å; L98-F145 HydrophobicContact CD1-CG 3.94Å; L98-F145 HydrophobicContact CD1-CZ 4.29Å; L98-F145 HydrophobicContact CD2-CB 4.27Å; L98-F145 HydrophobicContact CD2-CD1 4.44Å; L98-F200 HydrophobicContact CD2-CD2 3.76Å; L98-F200 HydrophobicContact CD2-CE2 3.49Å; L98-F200 VanDerWaalsContact CD2-CE2 3.49Å; L98-F200 HydrophobicContact CD2-CZ 4.38Å; L98-F200 HydrophobicContact CG-CE2 4.26Å |
| 99 | D | 78.5 | Confident | 77.6 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | trans | -65.1 | 124.7 | 166.2 | -173.1 | -30.1 | 0 | 0 | 0 | 108.8 | S101 V102 L206 | D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.41Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.93Å; D99-S101 VanDerWaalsContact OD1-OG 3.13Å; D99-V102 HydrophobicContact CB-CG2 4.04Å; D99-V102 WeakPolarHBondContact O-CB 3.35Å; D99-V102 PolarHBondContact O-N 2.8Å; D99-L206 HydrophobicContact CB-CD2 4.48Å; D99-L206 WeakPolarHBondContact OD2-CD2 3.26Å | ||
| 100 | P | 78.8 | Confident | 79.1 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -51.6 | -31.9 | 176.1 | -28 | 35.6 | 0 | 0 | 0 | 113.7 | L98 V102 L103 A104 | L98-P100 WeakPolarHBondContact O-CD 3.18Å; P100-V102 VanDerWaalsContact C-N 3.26Å; P100-V102 PolarHBondContact O-N 3.29Å; P100-L103 PolarHBondContact O-N 3.35Å; P100-A104 PolarHBondContact O-N 3.18Å |
| 101 | S | 78.3 | Confident | 80.3 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67 | -27.7 | 177.9 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | D99 N105 | D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.41Å; D99-S101 PolarHBondContact OD1-N 2.85Å; D99-S101 PolarHBondContact OD1-OG 2.93Å; D99-S101 VanDerWaalsContact OD1-OG 3.13Å; S101-N105 WeakPolarHBondContact O-CB 3.33Å; S101-N105 PolarHBondContact O-N 3.18Å; S101-N105 PolarHBondContact O-ND2 2.77Å |
| 102 | V | 77.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | D99 P100 A106 A144 | D99-V102 HydrophobicContact CB-CG2 4.04Å; D99-V102 WeakPolarHBondContact O-CB 3.35Å; D99-V102 PolarHBondContact O-N 2.8Å; P100-V102 VanDerWaalsContact C-N 3.26Å; P100-V102 PolarHBondContact O-N 3.29Å; V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 3.04Å; V102-A144 HydrophobicContact CG1-CB 4.03Å; V102-A144 VanDerWaalsContact CG1-O 3.28Å; V102-A144 WeakPolarHBondContact CG1-O 3.17Å |
| 103 | L | 78.7 | Confident | 82.3 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 177 | -66.2 | 171.7 | 0 | 0 | 0 | 112 | V82 K95 L98 P100 N105 A144 F145 | V82-L103 HydrophobicContact CG1-CD2 4.17Å; K95-L103 HydrophobicContact CB-CD1 4.26Å; K95-L103 HydrophobicContact CD-CD1 4.49Å; K95-L103 HydrophobicContact CG-CD1 3.78Å; L98-L103 HydrophobicContact CB-CD1 4.48Å; L98-L103 HydrophobicContact CD1-CD2 3.86Å; L98-L103 HydrophobicContact CD1-CG 4.29Å; P100-L103 PolarHBondContact O-N 3.35Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3.27Å; L103-A144 HydrophobicContact CD2-CB 4.48Å; L103-F145 HydrophobicContact CD2-CD1 4.34Å; L103-F145 HydrophobicContact CD2-CE1 3.84Å |
| 104 | A | 77.3 | Confident | 83.2 | Confident | 84 Ų | 84 | 51 Ų | 51 | 69% | 0.694 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.4 | -24.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P100 | P100-A104 PolarHBondContact O-N 3.18Å |
| 105 | N | 76.6 | Confident | 84.1 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 4.9 | -174.1 | -69.5 | -55.9 | 0 | 0 | 0 | 113.9 | S101 L103 L209 | S101-N105 WeakPolarHBondContact O-CB 3.33Å; S101-N105 PolarHBondContact O-N 3.18Å; S101-N105 PolarHBondContact O-ND2 2.77Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3.27Å; N105-L209 HydrophobicContact CB-CD2 3.8Å |
| 106 | A | 82.5 | Confident | 84.9 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | trans | -128.2 | 128.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V82 V102 A144 | V82-A106 WeakPolarHBondContact CG2-O 3.49Å; V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 3.04Å; A106-A144 HydrophobicContact CB-CB 3.52Å | ||
| 107 | N | 86.2 | Confident | 85.7 | Confident | 119 Ų | 119 | 43.8 Ų | 43.8 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -77.6 | -27 | 179 | -65.7 | -27.1 | 0 | 0 | 0 | 112.1 | T81 V82 | T81-N107 CarbonylContact C-O 3.44Å; T81-N107 VanDerWaalsContact CA-O 3.31Å; T81-N107 WeakPolarHBondContact CA-O 3.32Å; T81-N107 VanDerWaalsContact CG2-O 3.28Å; T81-N107 WeakPolarHBondContact CG2-O 3.44Å; V82-N107 PolarHBondContact N-O 2.79Å |
| 108 | F | 89.4 | Confident | 86.5 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.9 | -171.4 | -52.5 | -76.2 | 0 | 0 | 0 | 112.5 | L79 V80 T81 C143 A144 | L79-F108 HydrophobicContact CD1-CB 3.61Å; L79-F108 HydrophobicContact CD1-CG 4.13Å; L79-F108 HydrophobicContact CD2-CB 4.23Å; L79-F108 HydrophobicContact CD2-CD1 3.97Å; L79-F108 HydrophobicContact CD2-CD2 4.06Å; L79-F108 HydrophobicContact CD2-CE1 4.36Å; L79-F108 HydrophobicContact CD2-CE2 4.44Å; L79-F108 HydrophobicContact CD2-CG 3.81Å; L79-F108 HydrophobicContact CG-CB 3.76Å; L79-F108 HydrophobicContact CG-CD1 3.88Å; L79-F108 HydrophobicContact CG-CD2 4.5Å; L79-F108 HydrophobicContact CG-CG 3.8Å; V80-F108 CarbonylContact O-C 3.52Å; V80-F108 WeakPolarHBondContact O-CA 3.48Å; T81-F108 HydrophobicContact CG2-CD1 4.21Å; T81-F108 HydrophobicContact CG2-CE1 4.01Å; F108-C143 CarbonylContact O-C 3.57Å; F108-C143 VanDerWaalsContact O-CA 3.24Å; F108-C143 WeakPolarHBondContact O-CA 3.47Å; F108-A144 PolarHBondContact O-N 2.83Å |
| 109 | Y | 90 | Very high | 87.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 158.4 | 155.1 | 69.5 | -81.6 | 0 | 0 | 0 | 108.8 | V80 V82 L91 E111 F145 L147 | V80-Y109 HydrophobicContact CB-CD1 4.03Å; V80-Y109 HydrophobicContact CB-CD2 4.48Å; V80-Y109 HydrophobicContact CB-CE1 3.44Å; V80-Y109 VanDerWaalsContact CB-CE1 3.44Å; V80-Y109 HydrophobicContact CB-CE2 3.98Å; V80-Y109 VanDerWaalsContact CB-CZ 3.44Å; V80-Y109 HydrophobicContact CG1-CD1 4.43Å; V80-Y109 HydrophobicContact CG1-CE1 3.46Å; V80-Y109 VanDerWaalsContact CG1-CE1 3.46Å; V80-Y109 VanDerWaalsContact CG1-OH 3.32Å; V80-Y109 WeakPolarHBondContact CG1-OH 3.5Å; V80-Y109 HydrophobicContact CG2-CE1 4.46Å; V80-Y109 HydrophobicContact CG2-CE2 4.18Å; V80-Y109 PolarHBondContact N-O 3.03Å; V80-Y109 WeakPolarHBondContact O-CD1 3.29Å; V80-Y109 PolarHBondContact O-N 2.69Å; V82-Y109 HydrophobicContact CG2-CD1 4.3Å; L91-Y109 HydrophobicContact CD1-CD1 4.23Å; L91-Y109 HydrophobicContact CD1-CE1 3.32Å; L91-Y109 WeakPolarHBondContact CD1-OH 3.46Å; L91-Y109 HydrophobicContact CG-CE1 3.96Å; Y109-E111 HydrophobicContact CE2-CB 4.42Å; Y109-F145 WeakPolarHBondContact CB-O 3.18Å; Y109-F145 HydrophobicContact CD1-CE1 4.44Å; Y109-F145 AromaticContact CD1-CZ 3.98Å; Y109-F145 HydrophobicContact CD1-CZ 3.98Å; Y109-F145 HydrophobicContact CD2-CD2 4.35Å; Y109-F145 AromaticContact CD2-CE2 3.61Å; Y109-F145 HydrophobicContact CD2-CE2 3.61Å; Y109-F145 AromaticContact CD2-CZ 3.82Å; Y109-F145 HydrophobicContact CD2-CZ 3.82Å; Y109-F145 HydrophobicContact CE2-CE2 4.31Å; Y109-F145 HydrophobicContact CE2-CZ 4.46Å; Y109-F145 HydrophobicContact CG-CD2 4.45Å; Y109-F145 HydrophobicContact CG-CE1 4.07Å; Y109-F145 AromaticContact CG-CE2 3.75Å; Y109-F145 HydrophobicContact CG-CE2 3.75Å; Y109-F145 AromaticContact CG-CZ 3.52Å; Y109-F145 HydrophobicContact CG-CZ 3.52Å; Y109-L147 HydrophobicContact CD2-CB 4.18Å; Y109-L147 HydrophobicContact CE2-CB 4.26Å; Y109-L147 HydrophobicContact CE2-CD2 4.02Å |
| 110 | M | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.3 | 175.8 | -178 | -179.6 | -65.4 | 0 | 0 | 109.5 | V60 N77 S78 R137 A138 L141 F145 V146 L147 | V60-M110 HydrophobicContact CB-CE 3.86Å; V60-M110 HydrophobicContact CG1-CE 3.79Å; N77-M110 HydrophobicContact CB-CG 4Å; N77-M110 HydrophobicContact CB-SD 3.99Å; S78-M110 WeakPolarHBondContact O-CA 3.21Å; M110-R137 HydrophobicContact CE-CB 4.43Å; M110-R137 HydrophobicContact CE-CG 4.22Å; M110-A138 HydrophobicContact CB-CB 4.23Å; M110-A138 HydrophobicContact CE-CB 3.8Å; M110-A138 HydrophobicContact SD-CB 4.03Å; M110-L141 HydrophobicContact CE-CD1 4.26Å; M110-F145 PolarHBondContact N-O 2.93Å; M110-F145 VanDerWaalsContact N-O 3.1Å; M110-V146 HydrophobicContact CB-CG2 4.09Å; M110-V146 CarbonylContact O-C 3.49Å; M110-V146 WeakPolarHBondContact O-CA 3.28Å; M110-L147 PolarHBondContact O-N 3.09Å |
| 111 | E | 92.2 | Very high | 88.7 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.4 | 172.7 | -175.4 | 175.7 | -164 | 0 | 0 | 110.4 | N77 S78 Y109 T113 L147 | N77-E111 CarbonylContact C-O 3.5Å; N77-E111 WeakPolarHBondContact CA-O 3.09Å; S78-E111 PolarHBondContact N-O 2.78Å; S78-E111 PolarHBondContact O-N 2.79Å; Y109-E111 HydrophobicContact CE2-CB 4.42Å; E111-T113 PolarHBondContact O-N 3.12Å; E111-L147 CarbonylContact C-O 3.59Å; E111-L147 WeakPolarHBondContact CA-O 3.48Å; E111-L147 HydrophobicContact CG-CB 4.46Å |
| 112 | V | 94.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 92.6 | 167.4 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | V75 I131 V146 L147 A148 F159 | V75-V112 HydrophobicContact CG2-CG1 3.71Å; V112-I131 HydrophobicContact CG1-CD1 4.13Å; V112-I131 HydrophobicContact CG2-CD1 4.36Å; V112-V146 HydrophobicContact CG2-CG1 3.77Å; V112-L147 PolarHBondContact N-O 2.93Å; V112-A148 HydrophobicContact CB-CB 4.04Å; V112-A148 HydrophobicContact CG2-CB 4.49Å; V112-F159 HydrophobicContact CB-CZ 4.46Å; V112-F159 HydrophobicContact CG1-CE1 4.38Å; V112-F159 HydrophobicContact CG1-CZ 4.06Å |
| 113 | T | 92 | Very high | 90 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -38.8 | -178.5 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L51 T55 L76 S78 E111 | L51-T113 HydrophobicContact CD1-CG2 3.95Å; L51-T113 HydrophobicContact CD2-CG2 4.15Å; L51-T113 HydrophobicContact CG-CG2 4.05Å; T55-T113 HydrophobicContact CG2-CG2 4.34Å; L76-T113 PolarHBondContact O-N 3.09Å; S78-T113 PolarHBondContact OG-OG1 2.92Å; E111-T113 PolarHBondContact O-N 3.12Å |
| 114 | L | 93.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 140.9 | -176.5 | -174.6 | 151.9 | 0 | 0 | 0 | 111.4 | V23 Y27 V75 L76 | V23-L114 HydrophobicContact CG1-CD1 3.68Å; V23-L114 HydrophobicContact CG2-CD1 4.08Å; V23-L114 HydrophobicContact CG2-CD2 4.07Å; Y27-L114 HydrophobicContact CD1-CD1 3.33Å; Y27-L114 HydrophobicContact CD1-CG 4Å; Y27-L114 HydrophobicContact CD2-CD1 4.03Å; Y27-L114 HydrophobicContact CD2-CD2 4Å; Y27-L114 HydrophobicContact CD2-CG 3.75Å; Y27-L114 HydrophobicContact CE1-CD1 3.46Å; Y27-L114 VanDerWaalsContact CE1-CD1 3.46Å; Y27-L114 HydrophobicContact CE1-CG 3.97Å; Y27-L114 HydrophobicContact CE2-CD1 4.16Å; Y27-L114 HydrophobicContact CE2-CD2 4.41Å; Y27-L114 HydrophobicContact CE2-CG 3.74Å; Y27-L114 HydrophobicContact CG-CD1 3.61Å; Y27-L114 HydrophobicContact CG-CD2 4.11Å; Y27-L114 HydrophobicContact CG-CG 3.87Å; V75-L114 CarbonylContact C-O 3.51Å; V75-L114 VanDerWaalsContact CA-O 3.29Å; V75-L114 WeakPolarHBondContact CA-O 3.46Å; L76-L114 HydrophobicContact CB-CB 4.13Å; L76-L114 HydrophobicContact CD1-CB 4.3Å; L76-L114 HydrophobicContact CD1-CD2 4.44Å; L76-L114 HydrophobicContact CG-CB 4.38Å; L76-L114 HydrophobicContact CG-CD2 4.47Å; L76-L114 PolarHBondContact N-O 3.23Å; L76-L114 PolarHBondContact O-N 2.79Å |
| 115 | L | 95.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 124.8 | 171.3 | 179.7 | 68.2 | 0 | 0 | 0 | 109.9 | V75 A127 L130 I131 L158 | V75-L115 HydrophobicContact CB-CD1 3.87Å; V75-L115 HydrophobicContact CG2-CD1 4.07Å; L115-A127 HydrophobicContact CD1-CB 4.48Å; L115-A127 HydrophobicContact CD2-CB 4.16Å; L115-L130 HydrophobicContact CD1-CB 4.24Å; L115-L130 HydrophobicContact CD1-CD1 4.19Å; L115-I131 HydrophobicContact CD1-CD1 4.21Å; L115-I131 HydrophobicContact CD1-CG1 4.48Å; L115-I131 HydrophobicContact CD2-CD1 4.05Å; L115-I131 HydrophobicContact CD2-CG1 4.02Å; L115-L158 HydrophobicContact CD2-CD2 3.49Å; L115-L158 VanDerWaalsContact CD2-CD2 3.49Å |
| 116 | S | 95.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.4 | -179.1 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | A73 C74 | A73-S116 CarbonylContact C-O 3.36Å; A73-S116 VanDerWaalsContact CA-O 3.22Å; A73-S116 WeakPolarHBondContact CA-O 3.26Å; A73-S116 WeakPolarHBondContact CB-O 3.39Å; C74-S116 PolarHBondContact N-O 2.95Å; C74-S116 PolarHBondContact O-N 2.96Å |
| 117 | V | 95.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 46 Ų | 46 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.1 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | A73 T122 L126 A127 | A73-V117 HydrophobicContact CB-CB 4.3Å; A73-V117 HydrophobicContact CB-CG1 4.28Å; A73-V117 HydrophobicContact CB-CG2 3.91Å; V117-T122 HydrophobicContact CG1-CG2 4.24Å; V117-L126 HydrophobicContact CG1-CD1 4.48Å; V117-A127 HydrophobicContact CG2-CB 3.77Å |
| 118 | S | 94.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | trans | -57.4 | 139.6 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | N26 A72 K120 S121 T122 | N26-S118 WeakPolarHBondContact OD1-CA 3.43Å; N26-S118 PolarHBondContact OD1-OG 2.88Å; A72-S118 VanDerWaalsContact O-CB 3.29Å; A72-S118 WeakPolarHBondContact O-CB 3.47Å; A72-S118 PolarHBondContact O-N 2.83Å; S118-K120 PolarHBondContact O-N 3.47Å; S118-K120 VanDerWaalsContact O-N 3.1Å; S118-S121 PolarHBondContact O-N 2.86Å; S118-T122 PolarHBondContact O-N 2.92Å | ||
| 119 | P | 92.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 46 Ų | 46 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -51.7 | -38 | 177.8 | -24 | 31.5 | 0 | 0 | 0 | 112.9 | N26 R30 S121 T122 | N26-P119 WeakPolarHBondContact OD1-CD 3.15Å; R30-P119 VanDerWaalsContact NH2-CG 3.27Å; P119-S121 PolarHBondContact O-N 3.36Å; P119-T122 PolarHBondContact O-N 2.77Å; P119-T122 PolarHBondContact O-OG1 3.37Å |
| 120 | K | 92.4 | Very high | 94.5 | Very high | 185 Ų | 185 | 45.8 Ų | 45.8 | 80% | 0.804 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -68 | -17.2 | -180 | -61.6 | -176 | 179.5 | -178.1 | 0 | 113.9 | S118 | S118-K120 PolarHBondContact O-N 3.47Å; S118-K120 VanDerWaalsContact O-N 3.1Å |
| 121 | S | 93.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -115 | 9.7 | -175 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | Y6 S118 P119 | Y6-S121 PolarHBondContact OH-OG 2.88Å; S118-S121 PolarHBondContact O-N 2.86Å; P119-S121 PolarHBondContact O-N 3.36Å |
| 122 | T | 92.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 47 Ų | 47 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 161.8 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | V117 S118 P119 R124 | V117-T122 HydrophobicContact CG1-CG2 4.24Å; S118-T122 PolarHBondContact O-N 2.92Å; P119-T122 PolarHBondContact O-N 2.77Å; P119-T122 PolarHBondContact O-OG1 3.37Å; T122-R124 PolarHBondContact O-N 2.89Å |
| 123 | G | 92 | Very high | 95.1 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 88% | 0.876 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 1.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 124 | R | 93.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -105.8 | 8.7 | -174.2 | -60.3 | 173.3 | -174.8 | -111.4 | 14.7 | 114.4 | E5 Y6 T122 L126 | E5-R124 IonicContact OE1-CZ 3.84Å; E5-R124 IonicContact OE1-NH1 3.05Å; E5-R124 PolarHBondContact OE1-NH1 2.69Å; E5-R124 IonicContact OE1-NH2 2.69Å; E5-R124 IonicContact OE2-CZ 3.76Å; E5-R124 IonicContact OE2-NH1 3.57Å; E5-R124 PolarHBondContact OE2-NH1 3.07Å; Y6-R124 WeakPolarHBondContact OH-CD 3.38Å; Y6-R124 PolarHBondContact OH-NE 3.31Å; T122-R124 PolarHBondContact O-N 2.89Å; R124-L126 HydrophobicContact CB-CG 4.22Å; R124-L126 PolarHBondContact O-N 3.21Å |
| 125 | G | 94.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 69.9 | 12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A127 K128 K129 | G125-A127 VanDerWaalsContact C-N 3.35Å; G125-A127 PolarHBondContact O-N 2.86Å; G125-K128 PolarHBondContact O-N 3.11Å; G125-K129 PolarHBondContact O-N 2.93Å; G125-K129 VanDerWaalsContact O-N 3.08Å |
| 126 | L | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | -176.4 | -61.6 | -177.7 | 0 | 0 | 0 | 113.1 | Y6 F64 A72 A73 V117 R124 K128 K129 L130 | Y6-L126 HydrophobicContact CD1-CD1 4.02Å; Y6-L126 HydrophobicContact CD1-CD2 4.41Å; Y6-L126 HydrophobicContact CD2-CD1 4.44Å; Y6-L126 HydrophobicContact CD2-CD2 3.79Å; Y6-L126 HydrophobicContact CE1-CD1 3.91Å; Y6-L126 HydrophobicContact CE2-CD1 4.35Å; Y6-L126 HydrophobicContact CE2-CD2 4.3Å; Y6-L126 HydrophobicContact CG-CD1 4.28Å; Y6-L126 HydrophobicContact CG-CD2 3.86Å; F64-L126 HydrophobicContact CD2-CB 4.28Å; F64-L126 HydrophobicContact CD2-CD2 4.04Å; F64-L126 HydrophobicContact CE2-CD2 4.22Å; F64-L126 HydrophobicContact CG-CD2 4.27Å; A72-L126 HydrophobicContact CB-CD1 4.27Å; A73-L126 HydrophobicContact CB-CB 4Å; A73-L126 HydrophobicContact CB-CD1 4.14Å; V117-L126 HydrophobicContact CG1-CD1 4.48Å; R124-L126 HydrophobicContact CB-CG 4.22Å; R124-L126 PolarHBondContact O-N 3.21Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-K129 PolarHBondContact O-N 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.87Å |
| 127 | A | 96.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L115 V117 G125 L130 I131 L158 | L115-A127 HydrophobicContact CD1-CB 4.48Å; L115-A127 HydrophobicContact CD2-CB 4.16Å; V117-A127 HydrophobicContact CG2-CB 3.77Å; G125-A127 VanDerWaalsContact C-N 3.35Å; G125-A127 PolarHBondContact O-N 2.86Å; A127-L130 PolarHBondContact O-N 2.89Å; A127-I131 WeakPolarHBondContact O-CG1 3.35Å; A127-I131 PolarHBondContact O-N 3.06Å; A127-L158 HydrophobicContact CB-CD2 3.55Å |
| 128 | K | 96.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 177.5 | -166.1 | -172.4 | -173.9 | -127.9 | 0 | 111.2 | G125 L126 L130 I131 E132 L158 | G125-K128 PolarHBondContact O-N 3.11Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.87Å; K128-I131 PolarHBondContact O-N 3.21Å; K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.38Å; K128-E132 IonicContact NZ-OE1 2.73Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 WeakPolarHBondContact O-CB 3.41Å; K128-E132 WeakPolarHBondContact O-CG 3.28Å; K128-E132 PolarHBondContact O-N 3.39Å; K128-L158 HydrophobicContact CB-CD1 3.83Å; K128-L158 HydrophobicContact CG-CD1 4.15Å |
| 129 | K | 97.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 47% | 0.47 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 178.1 | -68.9 | 177.5 | 179.4 | -179.1 | 0 | 112.5 | F64 G125 L126 A133 | F64-K129 HydrophobicContact CE2-CB 3.86Å; F64-K129 HydrophobicContact CZ-CB 3.93Å; F64-K129 HydrophobicContact CZ-CD 4.17Å; G125-K129 PolarHBondContact O-N 2.93Å; G125-K129 VanDerWaalsContact O-N 3.08Å; L126-K129 PolarHBondContact O-N 3.42Å; K129-A133 VanDerWaalsContact O-CB 3.25Å; K129-A133 WeakPolarHBondContact O-CB 3.43Å; K129-A133 PolarHBondContact O-N 3.39Å |
| 130 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 175.4 | -75.9 | 168.9 | 0 | 0 | 0 | 111.4 | L8 L62 F64 A73 V75 L115 L126 A127 K128 A133 S134 | L8-L130 HydrophobicContact CD1-CD2 3.77Å; L62-L130 HydrophobicContact CB-CD2 3.94Å; F64-L130 HydrophobicContact CD2-CD1 4.25Å; F64-L130 HydrophobicContact CD2-CD2 3.8Å; F64-L130 HydrophobicContact CD2-CG 3.78Å; F64-L130 HydrophobicContact CE2-CD2 3.95Å; F64-L130 HydrophobicContact CE2-CG 3.82Å; A73-L130 HydrophobicContact CB-CD1 3.6Å; V75-L130 HydrophobicContact CB-CB 4.1Å; V75-L130 HydrophobicContact CG1-CB 3.9Å; V75-L130 HydrophobicContact CG1-CD2 4.02Å; V75-L130 HydrophobicContact CG1-CG 4.42Å; L115-L130 HydrophobicContact CD1-CB 4.24Å; L115-L130 HydrophobicContact CD1-CD1 4.19Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.87Å; A127-L130 PolarHBondContact O-N 2.89Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.87Å; L130-A133 PolarHBondContact O-N 3.23Å; L130-S134 PolarHBondContact O-N 3.4Å; L130-S134 PolarHBondContact O-OG 2.79Å; L130-S134 VanDerWaalsContact O-OG 3.09Å |
| 131 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 176.9 | -65.4 | -52.1 | 0 | 0 | 0 | 111.3 | V75 V112 L115 A127 K128 A133 S134 L135 L158 F159 C162 F164 | V75-I131 HydrophobicContact CG2-CD1 4.1Å; V112-I131 HydrophobicContact CG1-CD1 4.13Å; V112-I131 HydrophobicContact CG2-CD1 4.36Å; L115-I131 HydrophobicContact CD1-CD1 4.21Å; L115-I131 HydrophobicContact CD1-CG1 4.48Å; L115-I131 HydrophobicContact CD2-CD1 4.05Å; L115-I131 HydrophobicContact CD2-CG1 4.02Å; A127-I131 WeakPolarHBondContact O-CG1 3.35Å; A127-I131 PolarHBondContact O-N 3.06Å; K128-I131 PolarHBondContact O-N 3.21Å; I131-A133 VanDerWaalsContact C-N 3.27Å; I131-A133 PolarHBondContact O-N 2.96Å; I131-S134 WeakPolarHBondContact O-CB 3.41Å; I131-S134 PolarHBondContact O-N 2.88Å; I131-S134 VanDerWaalsContact O-N 3.08Å; I131-L135 HydrophobicContact CG2-CD1 4.44Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 3.24Å; I131-L158 HydrophobicContact CG1-CD2 4.27Å; I131-F159 HydrophobicContact CD1-CE1 3.65Å; I131-F159 HydrophobicContact CD1-CZ 4.31Å; I131-F159 HydrophobicContact CG1-CE1 4.1Å; I131-F159 HydrophobicContact CG2-CD1 4.49Å; I131-C162 HydrophobicContact CG2-CB 3.76Å; I131-F164 HydrophobicContact CG2-CE2 3.8Å; I131-F164 HydrophobicContact CG2-CZ 4.3Å |
| 132 | E | 96.8 | Very high | 95 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.8 | -43.9 | 176.4 | -72.6 | 170 | 161.6 | 0 | 0 | 111.2 | K128 L135 E136 | K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.38Å; K128-E132 IonicContact NZ-OE1 2.73Å; K128-E132 PolarHBondContact NZ-OE1 3.32Å; K128-E132 WeakPolarHBondContact O-CB 3.41Å; K128-E132 WeakPolarHBondContact O-CG 3.28Å; K128-E132 PolarHBondContact O-N 3.39Å; E132-L135 PolarHBondContact O-N 3.19Å; E132-E136 WeakPolarHBondContact O-CG 3.18Å; E132-E136 PolarHBondContact O-N 3.15Å; E132-E136 VanDerWaalsContact O-N 3.07Å |
| 133 | A | 97.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L8 L62 K129 L130 I131 E136 R137 | L8-A133 HydrophobicContact CD2-CB 3.96Å; L62-A133 HydrophobicContact CD1-CB 3.53Å; K129-A133 VanDerWaalsContact O-CB 3.25Å; K129-A133 WeakPolarHBondContact O-CB 3.43Å; K129-A133 PolarHBondContact O-N 3.39Å; L130-A133 PolarHBondContact O-N 3.23Å; I131-A133 VanDerWaalsContact C-N 3.27Å; I131-A133 PolarHBondContact O-N 2.96Å; A133-E136 PolarHBondContact O-N 2.93Å; A133-R137 WeakPolarHBondContact O-CB 3.34Å; A133-R137 PolarHBondContact O-N 2.89Å |
| 134 | S | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 173.2 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | V75 N77 L130 I131 R137 A138 | V75-S134 WeakPolarHBondContact CG1-OG 3.33Å; N77-S134 PolarHBondContact ND2-OG 2.9Å; L130-S134 PolarHBondContact O-N 3.4Å; L130-S134 PolarHBondContact O-OG 2.79Å; L130-S134 VanDerWaalsContact O-OG 3.09Å; I131-S134 WeakPolarHBondContact O-CB 3.41Å; I131-S134 PolarHBondContact O-N 2.88Å; I131-S134 VanDerWaalsContact O-N 3.08Å; S134-R137 PolarHBondContact O-N 3.38Å; S134-A138 WeakPolarHBondContact O-CB 3.31Å; S134-A138 PolarHBondContact O-N 3.43Å |
| 135 | L | 96.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.5 | -65.3 | -176.7 | 0 | 0 | 0 | 111.8 | I131 E132 R137 A138 K139 V146 F164 P201 L203 | I131-L135 HydrophobicContact CG2-CD1 4.44Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 3.24Å; E132-L135 PolarHBondContact O-N 3.19Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 2.97Å; L135-A138 PolarHBondContact O-N 2.87Å; L135-K139 WeakPolarHBondContact O-CG 3.33Å; L135-K139 PolarHBondContact O-N 3.15Å; L135-V146 HydrophobicContact CD2-CB 3.97Å; L135-V146 HydrophobicContact CD2-CG1 4.19Å; L135-V146 HydrophobicContact CD2-CG2 3.81Å; L135-F164 HydrophobicContact CD1-CE2 4.13Å; L135-F164 HydrophobicContact CD2-CE2 3.79Å; L135-F164 HydrophobicContact CD2-CZ 3.79Å; L135-F164 HydrophobicContact CG-CE2 4.34Å; L135-P201 HydrophobicContact CD2-CG 3.62Å; L135-L203 HydrophobicContact CD2-CD2 4.2Å |
| 136 | E | 95.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 45% | 0.453 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.2 | -68.2 | -52.7 | 128.1 | 0 | 0 | 111.5 | E132 A133 K139 Q140 | E132-E136 WeakPolarHBondContact O-CG 3.18Å; E132-E136 PolarHBondContact O-N 3.15Å; E132-E136 VanDerWaalsContact O-N 3.07Å; A133-E136 PolarHBondContact O-N 2.93Å; E136-K139 PolarHBondContact O-N 2.93Å; E136-K139 IonicContact OE1-NZ 2.78Å; E136-K139 PolarHBondContact OE1-NZ 2.83Å; E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.25Å |
| 137 | R | 94.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 174.7 | -173 | 58.4 | 172.5 | 171.7 | 2.8 | 112.2 | V60 M110 A133 S134 L135 K139 Q140 L141 | V60-R137 HydrophobicContact CG1-CG 4.34Å; M110-R137 HydrophobicContact CE-CB 4.43Å; M110-R137 HydrophobicContact CE-CG 4.22Å; A133-R137 WeakPolarHBondContact O-CB 3.34Å; A133-R137 PolarHBondContact O-N 2.89Å; S134-R137 PolarHBondContact O-N 3.38Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 2.97Å; R137-K139 VanDerWaalsContact C-N 3.34Å; R137-K139 PolarHBondContact O-N 3.11Å; R137-Q140 WeakPolarHBondContact O-CB 3.5Å; R137-Q140 PolarHBondContact O-N 2.89Å; R137-L141 HydrophobicContact CG-CD1 4.19Å; R137-L141 WeakPolarHBondContact O-CG 3.43Å; R137-L141 PolarHBondContact O-N 3.49Å |
| 138 | A | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | M110 S134 L135 L141 Q142 C143 V146 L203 | M110-A138 HydrophobicContact CB-CB 4.23Å; M110-A138 HydrophobicContact CE-CB 3.8Å; M110-A138 HydrophobicContact SD-CB 4.03Å; S134-A138 WeakPolarHBondContact O-CB 3.31Å; S134-A138 PolarHBondContact O-N 3.43Å; L135-A138 PolarHBondContact O-N 2.87Å; A138-L141 CarbonylContact O-C 3.59Å; A138-L141 PolarHBondContact O-N 3.37Å; A138-Q142 PolarHBondContact O-N 3.1Å; A138-Q142 VanDerWaalsContact O-N 3.14Å; A138-C143 HydrophobicContact CB-CB 4Å; A138-C143 WeakPolarHBondContact O-CB 3.29Å; A138-C143 PolarHBondContact O-N 3.13Å; A138-V146 HydrophobicContact CB-CG2 3.37Å; A138-L203 HydrophobicContact CB-CD1 4.16Å |
| 139 | K | 92.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.1 | -68.2 | 171.7 | -171.8 | 167.2 | 0 | 112.3 | L135 E136 R137 L141 Q142 L203 | L135-K139 WeakPolarHBondContact O-CG 3.33Å; L135-K139 PolarHBondContact O-N 3.15Å; E136-K139 PolarHBondContact O-N 2.93Å; E136-K139 IonicContact OE1-NZ 2.78Å; E136-K139 PolarHBondContact OE1-NZ 2.83Å; R137-K139 VanDerWaalsContact C-N 3.34Å; R137-K139 PolarHBondContact O-N 3.11Å; K139-L141 PolarHBondContact O-N 3.33Å; K139-Q142 PolarHBondContact O-N 2.98Å; K139-L203 HydrophobicContact CG-CB 4.41Å; K139-L203 HydrophobicContact CG-CD2 4.26Å |
| 140 | Q | 92.5 | Very high | 92.9 | Very high | 131 Ų | 131 | 35.3 Ų | 35.3 | 61% | 0.612 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -59.7 | -34.2 | 176.2 | -72.2 | 170.3 | 2.7 | 0 | 0 | 112.3 | E136 R137 Q142 | E136-Q140 WeakPolarHBondContact O-CG 3.28Å; E136-Q140 PolarHBondContact O-N 3.25Å; R137-Q140 WeakPolarHBondContact O-CB 3.5Å; R137-Q140 PolarHBondContact O-N 2.89Å; Q140-Q142 VanDerWaalsContact C-N 3.27Å |
| 141 | L | 91.7 | Very high | 92.1 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 30% | 0.298 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 8.2 | 176.7 | -63.9 | 174.8 | 0 | 0 | 0 | 113.3 | V60 M110 R137 A138 K139 C143 | V60-L141 HydrophobicContact CG1-CD1 3.38Å; M110-L141 HydrophobicContact CE-CD1 4.26Å; R137-L141 HydrophobicContact CG-CD1 4.19Å; R137-L141 WeakPolarHBondContact O-CG 3.43Å; R137-L141 PolarHBondContact O-N 3.49Å; A138-L141 CarbonylContact O-C 3.59Å; A138-L141 PolarHBondContact O-N 3.37Å; K139-L141 PolarHBondContact O-N 3.33Å; L141-C143 PolarHBondContact O-N 2.79Å; L141-C143 VanDerWaalsContact O-N 3.11Å |
| 142 | Q | 89.9 | Confident | 91.3 | Very high | 130 Ų | 130 | 36.9 Ų | 36.9 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35 | -179 | -57.8 | 179 | -62.5 | 0 | 0 | 113.2 | A138 K139 Q140 Y204 | A138-Q142 PolarHBondContact O-N 3.1Å; A138-Q142 VanDerWaalsContact O-N 3.14Å; K139-Q142 PolarHBondContact O-N 2.98Å; Q140-Q142 VanDerWaalsContact C-N 3.27Å; Q142-Y204 WeakPolarHBondContact CA-OH 3.34Å |
| 143 | C | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -61.3 | 142.5 | 174.5 | -66.9 | 0 | 0 | 0 | 0 | 109.8 | L79 F108 A138 L141 L203 Y204 | L79-C143 WeakPolarHBondContact CD1-SG 3.27Å; F108-C143 CarbonylContact O-C 3.57Å; F108-C143 VanDerWaalsContact O-CA 3.24Å; F108-C143 WeakPolarHBondContact O-CA 3.47Å; A138-C143 HydrophobicContact CB-CB 4Å; A138-C143 WeakPolarHBondContact O-CB 3.29Å; A138-C143 PolarHBondContact O-N 3.13Å; L141-C143 PolarHBondContact O-N 2.79Å; L141-C143 VanDerWaalsContact O-N 3.11Å; C143-L203 HydrophobicContact CB-CD1 4.32Å; C143-L203 WeakPolarHBondContact O-CD1 3.01Å; C143-Y204 WeakPolarHBondContact O-CE2 3.32Å; C143-Y204 PolarHBondContact O-OH 2.79Å | ||
| 144 | A | 87.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -58.2 | -50.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | V82 V102 L103 A106 F108 | V82-A144 HydrophobicContact CG2-CB 4.42Å; V102-A144 HydrophobicContact CG1-CB 4.03Å; V102-A144 VanDerWaalsContact CG1-O 3.28Å; V102-A144 WeakPolarHBondContact CG1-O 3.17Å; L103-A144 HydrophobicContact CD2-CB 4.48Å; A106-A144 HydrophobicContact CB-CB 3.52Å; F108-A144 PolarHBondContact O-N 2.83Å |
| 145 | F | 88.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -154.9 | 173.7 | -179 | 58.3 | -85.2 | 0 | 0 | 0 | 109.6 | L91 V94 L98 L103 Y109 M110 L147 F200 | L91-F145 HydrophobicContact CD2-CE1 4.39Å; L91-F145 HydrophobicContact CD2-CZ 3.91Å; L91-F145 HydrophobicContact CG-CZ 4.35Å; V94-F145 HydrophobicContact CG1-CD2 4.42Å; V94-F145 HydrophobicContact CG1-CE2 4.36Å; L98-F145 HydrophobicContact CD1-CD1 3.3Å; L98-F145 HydrophobicContact CD1-CE1 3.52Å; L98-F145 HydrophobicContact CD1-CG 3.94Å; L98-F145 HydrophobicContact CD1-CZ 4.29Å; L98-F145 HydrophobicContact CD2-CB 4.27Å; L98-F145 HydrophobicContact CD2-CD1 4.44Å; L103-F145 HydrophobicContact CD2-CD1 4.34Å; L103-F145 HydrophobicContact CD2-CE1 3.84Å; Y109-F145 WeakPolarHBondContact CB-O 3.18Å; Y109-F145 HydrophobicContact CD1-CE1 4.44Å; Y109-F145 AromaticContact CD1-CZ 3.98Å; Y109-F145 HydrophobicContact CD1-CZ 3.98Å; Y109-F145 HydrophobicContact CD2-CD2 4.35Å; Y109-F145 AromaticContact CD2-CE2 3.61Å; Y109-F145 HydrophobicContact CD2-CE2 3.61Å; Y109-F145 AromaticContact CD2-CZ 3.82Å; Y109-F145 HydrophobicContact CD2-CZ 3.82Å; Y109-F145 HydrophobicContact CE2-CE2 4.31Å; Y109-F145 HydrophobicContact CE2-CZ 4.46Å; Y109-F145 HydrophobicContact CG-CD2 4.45Å; Y109-F145 HydrophobicContact CG-CE1 4.07Å; Y109-F145 AromaticContact CG-CE2 3.75Å; Y109-F145 HydrophobicContact CG-CE2 3.75Å; Y109-F145 AromaticContact CG-CZ 3.52Å; Y109-F145 HydrophobicContact CG-CZ 3.52Å; M110-F145 PolarHBondContact N-O 2.93Å; M110-F145 VanDerWaalsContact N-O 3.1Å; F145-L147 HydrophobicContact CD2-CB 4.33Å; F145-L147 HydrophobicContact CE2-CB 4.05Å; F145-L147 HydrophobicContact CE2-CD1 4.33Å; F145-F200 HydrophobicContact CD2-CB 4.41Å | ||
| 146 | V | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.5 | 167.8 | 174.2 | 0 | 0 | 0 | 0 | 107.9 | M110 V112 L135 A138 F164 F200 P201 L203 | M110-V146 HydrophobicContact CB-CG2 4.09Å; M110-V146 CarbonylContact O-C 3.49Å; M110-V146 WeakPolarHBondContact O-CA 3.28Å; V112-V146 HydrophobicContact CG2-CG1 3.77Å; L135-V146 HydrophobicContact CD2-CB 3.97Å; L135-V146 HydrophobicContact CD2-CG1 4.19Å; L135-V146 HydrophobicContact CD2-CG2 3.81Å; A138-V146 HydrophobicContact CB-CG2 3.37Å; V146-F164 HydrophobicContact CB-CE1 4.44Å; V146-F164 HydrophobicContact CB-CZ 4.34Å; V146-F164 HydrophobicContact CG1-CE1 3.94Å; V146-F164 HydrophobicContact CG1-CZ 3.79Å; V146-F200 WeakPolarHBondContact O-CA 3.29Å; V146-F200 VanDerWaalsContact O-CB 3.24Å; V146-F200 WeakPolarHBondContact O-CB 3.47Å; V146-P201 HydrophobicContact CB-CG 4.1Å; V146-P201 WeakPolarHBondContact O-CD 3.35Å; V146-L203 HydrophobicContact CG2-CD1 4.18Å; V146-L203 HydrophobicContact CG2-CD2 4.23Å |
| 147 | L | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.7 | 178.5 | -169.8 | 65.6 | 0 | 0 | 0 | 109.9 | F90 V94 Y109 M110 E111 V112 F145 I198 | F90-L147 HydrophobicContact CB-CD2 4.43Å; V94-L147 HydrophobicContact CG2-CD1 3.62Å; Y109-L147 HydrophobicContact CD2-CB 4.18Å; Y109-L147 HydrophobicContact CE2-CB 4.26Å; Y109-L147 HydrophobicContact CE2-CD2 4.02Å; M110-L147 PolarHBondContact O-N 3.09Å; E111-L147 CarbonylContact C-O 3.59Å; E111-L147 WeakPolarHBondContact CA-O 3.48Å; E111-L147 HydrophobicContact CG-CB 4.46Å; V112-L147 PolarHBondContact N-O 2.93Å; F145-L147 HydrophobicContact CD2-CB 4.33Å; F145-L147 HydrophobicContact CE2-CB 4.05Å; F145-L147 HydrophobicContact CE2-CD1 4.33Å; L147-I198 HydrophobicContact CD1-CG2 3.4Å; L147-I198 HydrophobicContact CG-CG2 4.43Å |
| 148 | A | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V112 F159 F164 T199 | V112-A148 HydrophobicContact CB-CB 4.04Å; V112-A148 HydrophobicContact CG2-CB 4.49Å; A148-F159 HydrophobicContact CB-CD1 4.22Å; A148-F159 HydrophobicContact CB-CD2 4.22Å; A148-F159 HydrophobicContact CB-CE1 3.69Å; A148-F159 HydrophobicContact CB-CE2 3.69Å; A148-F159 HydrophobicContact CB-CG 4.47Å; A148-F159 HydrophobicContact CB-CZ 3.41Å; A148-F159 VanDerWaalsContact CB-CZ 3.41Å; A148-F164 HydrophobicContact CB-CD1 4.44Å; A148-F164 HydrophobicContact CB-CE1 4.04Å; A148-T199 PolarHBondContact N-O 3.3Å; A148-T199 PolarHBondContact O-N 2.89Å; A148-T199 PolarHBondContact O-OG1 3.02Å |
| 149 | V | 87.1 | Confident | 88.8 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 100.3 | 168.5 | -178 | 0 | 0 | 0 | 0 | 108.4 | F90 L196 R197 | F90-V149 HydrophobicContact CD2-CG2 4.29Å; F90-V149 HydrophobicContact CE2-CG2 4.38Å; V149-L196 HydrophobicContact CG1-CD1 3.76Å; V149-L196 HydrophobicContact CG1-CD2 3.67Å; V149-L196 HydrophobicContact CG1-CG 3.56Å; V149-R197 CarbonylContact C-O 3.51Å; V149-R197 WeakPolarHBondContact CA-O 3.44Å |
| 150 | A | 87.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 102.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q156 F159 R197 | A150-Q156 HydrophobicContact CB-CB 4.48Å; A150-Q156 HydrophobicContact CB-CG 3.55Å; A150-Q156 PolarHBondContact O-NE2 2.78Å; A150-F159 HydrophobicContact CB-CD2 3.73Å; A150-F159 HydrophobicContact CB-CE2 3.87Å; A150-R197 HydrophobicContact CB-CB 4.5Å; A150-R197 PolarHBondContact N-O 2.83Å; A150-R197 PolarHBondContact O-N 3.35Å; A150-R197 VanDerWaalsContact O-N 3.12Å |
| 151 | T | 82.3 | Confident | 88.8 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | trans | -83.8 | -28.3 | 178.9 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | E31 L33 Y172 L196 | E31-T151 PolarHBondContact OE1-OG1 3.2Å; L33-T151 HydrophobicContact CD1-CG2 3.81Å; L33-T151 HydrophobicContact CG-CG2 4.2Å; T151-Y172 WeakPolarHBondContact CA-OH 3.32Å; T151-Y172 WeakPolarHBondContact CB-OH 3.29Å; T151-Y172 PolarHBondContact O-OH 2.7Å; T151-L196 HydrophobicContact CG2-CD1 4.46Å | ||
| 152 | G | 80.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -99.6 | 140.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K154 S155 Q156 | G152-K154 PolarHBondContact O-N 3.14Å; G152-K154 VanDerWaalsContact O-N 3.14Å; G152-S155 PolarHBondContact O-N 3.28Å; G152-S155 VanDerWaalsContact O-N 3.08Å; G152-S155 PolarHBondContact O-OG 3.16Å; G152-Q156 WeakPolarHBondContact O-CG 3.24Å; G152-Q156 PolarHBondContact O-N 3.05Å |
| 153 | F | 81.4 | Confident | 89 | Confident | 128 Ų | 128 | 37.7 Ų | 37.7 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -52.8 | -38.2 | 174.1 | 179.7 | -100.8 | 0 | 0 | 0 | 113.5 | Q156 T157 | F153-Q156 PolarHBondContact O-N 3.45Å; F153-T157 WeakPolarHBondContact O-CB 3.07Å; F153-T157 PolarHBondContact O-N 2.9Å; F153-T157 PolarHBondContact O-OG1 3.1Å |
| 154 | K | 86.8 | Confident | 89 | Confident | 183 Ų | 183 | 38.3 Ų | 38.3 | 80% | 0.796 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.3 | -42.4 | 178.8 | -70.8 | -178.7 | -179.7 | 173.4 | 0 | 112.4 | G152 L158 | G152-K154 PolarHBondContact O-N 3.14Å; G152-K154 VanDerWaalsContact O-N 3.14Å; K154-L158 WeakPolarHBondContact O-CB 3.1Å; K154-L158 PolarHBondContact O-N 3.06Å; K154-L158 VanDerWaalsContact O-N 3.08Å |
| 155 | S | 86.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.6 | -39.9 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | G152 T157 L158 F159 | G152-S155 PolarHBondContact O-N 3.28Å; G152-S155 VanDerWaalsContact O-N 3.08Å; G152-S155 PolarHBondContact O-OG 3.16Å; S155-T157 PolarHBondContact O-N 3.3Å; S155-L158 WeakPolarHBondContact O-CB 3.13Å; S155-L158 PolarHBondContact O-N 3.1Å; S155-L158 VanDerWaalsContact O-N 3.1Å; S155-F159 WeakPolarHBondContact O-CB 3.37Å; S155-F159 WeakPolarHBondContact O-CD2 3.24Å; S155-F159 WeakPolarHBondContact O-CG 3.29Å; S155-F159 PolarHBondContact O-N 3.47Å |
| 156 | Q | 87.2 | Confident | 89 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 173.9 | -66.5 | 170.9 | 21.6 | 0 | 0 | 112.4 | A150 G152 F153 L158 F159 A160 N195 R197 | A150-Q156 HydrophobicContact CB-CB 4.48Å; A150-Q156 HydrophobicContact CB-CG 3.55Å; A150-Q156 PolarHBondContact O-NE2 2.78Å; G152-Q156 WeakPolarHBondContact O-CG 3.24Å; G152-Q156 PolarHBondContact O-N 3.05Å; F153-Q156 PolarHBondContact O-N 3.45Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.17Å; Q156-F159 PolarHBondContact O-N 3.06Å; Q156-A160 PolarHBondContact O-N 3.01Å; Q156-N195 PolarHBondContact NE2-O 3.05Å; Q156-R197 HydrophobicContact CG-CB 4.39Å; Q156-R197 HydrophobicContact CG-CG 4.3Å |
| 157 | T | 90.3 | Very high | 88.6 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | F153 S155 K161 | F153-T157 WeakPolarHBondContact O-CB 3.07Å; F153-T157 PolarHBondContact O-N 2.9Å; F153-T157 PolarHBondContact O-OG1 3.1Å; S155-T157 PolarHBondContact O-N 3.3Å; T157-K161 HydrophobicContact CG2-CD 4.44Å; T157-K161 WeakPolarHBondContact O-CG 3.18Å; T157-K161 PolarHBondContact O-N 2.98Å |
| 158 | L | 92.8 | Very high | 88.3 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -48.2 | 177.3 | 177.1 | 65.8 | 0 | 0 | 0 | 111.8 | L115 A127 K128 I131 K154 S155 Q156 A160 K161 C162 | L115-L158 HydrophobicContact CD2-CD2 3.49Å; L115-L158 VanDerWaalsContact CD2-CD2 3.49Å; A127-L158 HydrophobicContact CB-CD2 3.55Å; K128-L158 HydrophobicContact CB-CD1 3.83Å; K128-L158 HydrophobicContact CG-CD1 4.15Å; I131-L158 HydrophobicContact CG1-CD2 4.27Å; K154-L158 WeakPolarHBondContact O-CB 3.1Å; K154-L158 PolarHBondContact O-N 3.06Å; K154-L158 VanDerWaalsContact O-N 3.08Å; S155-L158 WeakPolarHBondContact O-CB 3.13Å; S155-L158 PolarHBondContact O-N 3.1Å; S155-L158 VanDerWaalsContact O-N 3.1Å; Q156-L158 VanDerWaalsContact C-N 3.28Å; Q156-L158 PolarHBondContact O-N 3.17Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 3.46Å; L158-K161 CarbonylContact O-C 3.56Å; L158-K161 WeakPolarHBondContact O-CB 3.46Å; L158-K161 PolarHBondContact O-N 3.02Å; L158-K161 VanDerWaalsContact O-N 3.11Å; L158-C162 PolarHBondContact O-N 3.13Å; L158-C162 PolarHBondContact O-SG 3.22Å |
| 159 | F | 93.5 | Very high | 88 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.6 | -73.8 | -55.6 | 0 | 0 | 0 | 111.1 | V112 I131 A148 A150 S155 Q156 K161 C162 G163 F164 | V112-F159 HydrophobicContact CB-CZ 4.46Å; V112-F159 HydrophobicContact CG1-CE1 4.38Å; V112-F159 HydrophobicContact CG1-CZ 4.06Å; I131-F159 HydrophobicContact CD1-CE1 3.65Å; I131-F159 HydrophobicContact CD1-CZ 4.31Å; I131-F159 HydrophobicContact CG1-CE1 4.1Å; I131-F159 HydrophobicContact CG2-CD1 4.49Å; A148-F159 HydrophobicContact CB-CD1 4.22Å; A148-F159 HydrophobicContact CB-CD2 4.22Å; A148-F159 HydrophobicContact CB-CE1 3.69Å; A148-F159 HydrophobicContact CB-CE2 3.69Å; A148-F159 HydrophobicContact CB-CG 4.47Å; A148-F159 HydrophobicContact CB-CZ 3.41Å; A148-F159 VanDerWaalsContact CB-CZ 3.41Å; A150-F159 HydrophobicContact CB-CD2 3.73Å; A150-F159 HydrophobicContact CB-CE2 3.87Å; S155-F159 WeakPolarHBondContact O-CB 3.37Å; S155-F159 WeakPolarHBondContact O-CD2 3.24Å; S155-F159 WeakPolarHBondContact O-CG 3.29Å; S155-F159 PolarHBondContact O-N 3.47Å; Q156-F159 PolarHBondContact O-N 3.06Å; F159-K161 VanDerWaalsContact C-N 3.32Å; F159-K161 PolarHBondContact O-N 3.07Å; F159-C162 CarbonylContact O-C 3.58Å; F159-C162 WeakPolarHBondContact O-CA 3.23Å; F159-C162 PolarHBondContact O-N 2.78Å; F159-G163 PolarHBondContact O-N 2.93Å; F159-F164 HydrophobicContact CB-CB 3.86Å; F159-F164 HydrophobicContact CB-CD1 4.36Å; F159-F164 HydrophobicContact CB-CD2 4.19Å; F159-F164 HydrophobicContact CB-CG 3.9Å; F159-F164 HydrophobicContact CD1-CD1 4.01Å; F159-F164 AromaticContact CD1-CD2 3.96Å; F159-F164 HydrophobicContact CD1-CD2 3.96Å; F159-F164 AromaticContact CD1-CE1 3.9Å; F159-F164 HydrophobicContact CD1-CE1 3.9Å; F159-F164 AromaticContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CG 4.06Å; F159-F164 AromaticContact CD1-CZ 3.82Å; F159-F164 HydrophobicContact CD1-CZ 3.82Å; F159-F164 HydrophobicContact CE1-CE1 4.23Å; F159-F164 HydrophobicContact CE1-CE2 4.49Å; F159-F164 HydrophobicContact CE1-CZ 4.12Å; F159-F164 HydrophobicContact CG-CD1 4.4Å; F159-F164 HydrophobicContact CG-CG 4.34Å; F159-F164 WeakPolarHBondContact O-CB 3.45Å; F159-F164 WeakPolarHBondContact O-CD2 3.5Å; F159-F164 PolarHBondContact O-N 3.33Å |
| 160 | A | 91.2 | Very high | 87.7 | Confident | 66 Ų | 66 | 52 Ų | 52 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q156 L158 C162 G163 | Q156-A160 PolarHBondContact O-N 3.01Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-A160 PolarHBondContact O-N 3.46Å; A160-C162 PolarHBondContact O-N 3.21Å; A160-G163 PolarHBondContact O-N 3.08Å |
| 161 | K | 93.3 | Very high | 87.4 | Confident | 153 Ų | 153 | 53.4 Ų | 53.4 | 67% | 0.665 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -22 | 174.2 | -73.1 | 173.8 | -179.1 | 178.9 | 0 | 113.6 | T157 L158 F159 | T157-K161 HydrophobicContact CG2-CD 4.44Å; T157-K161 WeakPolarHBondContact O-CG 3.18Å; T157-K161 PolarHBondContact O-N 2.98Å; L158-K161 CarbonylContact O-C 3.56Å; L158-K161 WeakPolarHBondContact O-CB 3.46Å; L158-K161 PolarHBondContact O-N 3.02Å; L158-K161 VanDerWaalsContact O-N 3.11Å; F159-K161 VanDerWaalsContact C-N 3.32Å; F159-K161 PolarHBondContact O-N 3.07Å |
| 162 | C | 94.5 | Very high | 87.2 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 11 | 175.1 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | I131 L158 F159 A160 F164 | I131-C162 HydrophobicContact CG2-CB 3.76Å; L158-C162 PolarHBondContact O-N 3.13Å; L158-C162 PolarHBondContact O-SG 3.22Å; F159-C162 CarbonylContact O-C 3.58Å; F159-C162 WeakPolarHBondContact O-CA 3.23Å; F159-C162 PolarHBondContact O-N 2.78Å; A160-C162 PolarHBondContact O-N 3.21Å; C162-F164 HydrophobicContact CB-CD2 4.07Å; C162-F164 HydrophobicContact CB-CE2 4.19Å |
| 163 | G | 92.2 | Very high | 87 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 46% | 0.464 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 16.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | F159 A160 P201 | F159-G163 PolarHBondContact O-N 2.93Å; A160-G163 PolarHBondContact O-N 3.08Å; G163-P201 WeakPolarHBondContact O-CA 3.45Å |
| 164 | F | 91.7 | Very high | 87.1 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.8 | 171 | -71.2 | -121.4 | 0 | 0 | 0 | 110 | I131 L135 V146 A148 F159 C162 T199 F200 P201 | I131-F164 HydrophobicContact CG2-CE2 3.8Å; I131-F164 HydrophobicContact CG2-CZ 4.3Å; L135-F164 HydrophobicContact CD1-CE2 4.13Å; L135-F164 HydrophobicContact CD2-CE2 3.79Å; L135-F164 HydrophobicContact CD2-CZ 3.79Å; L135-F164 HydrophobicContact CG-CE2 4.34Å; V146-F164 HydrophobicContact CB-CE1 4.44Å; V146-F164 HydrophobicContact CB-CZ 4.34Å; V146-F164 HydrophobicContact CG1-CE1 3.94Å; V146-F164 HydrophobicContact CG1-CZ 3.79Å; A148-F164 HydrophobicContact CB-CD1 4.44Å; A148-F164 HydrophobicContact CB-CE1 4.04Å; F159-F164 HydrophobicContact CB-CB 3.86Å; F159-F164 HydrophobicContact CB-CD1 4.36Å; F159-F164 HydrophobicContact CB-CD2 4.19Å; F159-F164 HydrophobicContact CB-CG 3.9Å; F159-F164 HydrophobicContact CD1-CD1 4.01Å; F159-F164 AromaticContact CD1-CD2 3.96Å; F159-F164 HydrophobicContact CD1-CD2 3.96Å; F159-F164 AromaticContact CD1-CE1 3.9Å; F159-F164 HydrophobicContact CD1-CE1 3.9Å; F159-F164 AromaticContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CE2 3.84Å; F159-F164 HydrophobicContact CD1-CG 4.06Å; F159-F164 AromaticContact CD1-CZ 3.82Å; F159-F164 HydrophobicContact CD1-CZ 3.82Å; F159-F164 HydrophobicContact CE1-CE1 4.23Å; F159-F164 HydrophobicContact CE1-CE2 4.49Å; F159-F164 HydrophobicContact CE1-CZ 4.12Å; F159-F164 HydrophobicContact CG-CD1 4.4Å; F159-F164 HydrophobicContact CG-CG 4.34Å; F159-F164 WeakPolarHBondContact O-CB 3.45Å; F159-F164 WeakPolarHBondContact O-CD2 3.5Å; F159-F164 PolarHBondContact O-N 3.33Å; C162-F164 HydrophobicContact CB-CD2 4.07Å; C162-F164 HydrophobicContact CB-CE2 4.19Å; F164-T199 WeakPolarHBondContact CD1-OG1 3.44Å; F164-F200 CarbonylContact C-O 3.53Å; F164-F200 WeakPolarHBondContact CA-O 3.5Å; F164-P201 HydrophobicContact CD1-CG 4.34Å; F164-P201 HydrophobicContact CD2-CB 4.17Å; F164-P201 HydrophobicContact CD2-CG 4.15Å; F164-P201 HydrophobicContact CE1-CG 4.17Å; F164-P201 HydrophobicContact CE2-CB 4.42Å; F164-P201 HydrophobicContact CE2-CG 3.97Å; F164-P201 HydrophobicContact CG-CB 4.36Å; F164-P201 HydrophobicContact CG-CG 4.33Å; F164-P201 HydrophobicContact CZ-CG 3.98Å |
| 165 | E | 88.6 | Confident | 86.6 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.5 | 171.3 | -65.2 | 171.9 | -148.8 | 0 | 0 | 109.3 | T199 F200 R202 | E165-T199 CarbonylContact O-C 3.46Å; E165-T199 WeakPolarHBondContact O-CA 3.2Å; E165-T199 VanDerWaalsContact O-CB 3.32Å; E165-T199 WeakPolarHBondContact O-CB 3.48Å; E165-F200 PolarHBondContact N-O 2.86Å; E165-F200 PolarHBondContact O-N 3.07Å; E165-R202 IonicContact OE1-NE 3.07Å; E165-R202 IonicContact OE2-NE 3.41Å |
| 166 | C | 86.3 | Confident | 86.3 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.5 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | Y168 T199 | C166-Y168 PolarHBondContact SG-O 3.08Å; C166-Y168 VanDerWaalsContact SG-O 3.36Å; C166-T199 HydrophobicContact CB-CG2 4.42Å |
| 167 | A | 85 | Confident | 86 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -32.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V94 H97 I198 F200 | V94-A167 HydrophobicContact CG2-CB 3.93Å; H97-A167 PolarHBondContact CE1-O 3.29Å; A167-I198 PolarHBondContact N-O 3.3Å; A167-F200 HydrophobicContact CB-CD1 4.04Å; A167-F200 HydrophobicContact CB-CE1 3.96Å |
| 168 | Y | 84.3 | Confident | 85.7 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 145.1 | -175.6 | -178.7 | -112 | 0 | 0 | 0 | 111.6 | T93 C166 V170 R197 I198 | T93-Y168 HydrophobicContact CG2-CD1 4.26Å; T93-Y168 HydrophobicContact CG2-CD2 4.15Å; T93-Y168 HydrophobicContact CG2-CG 3.68Å; C166-Y168 PolarHBondContact SG-O 3.08Å; C166-Y168 VanDerWaalsContact SG-O 3.36Å; Y168-V170 HydrophobicContact CD1-CG2 3.91Å; Y168-V170 HydrophobicContact CE1-CG2 3.05Å; Y168-V170 HydrophobicContact CE2-CG2 4.29Å; Y168-V170 WeakPolarHBondContact OH-CG2 3.32Å; Y168-R197 CarbonylContact O-C 3.56Å; Y168-R197 WeakPolarHBondContact O-CA 3.27Å; Y168-I198 HydrophobicContact CD1-CD1 3.75Å; Y168-I198 HydrophobicContact CD1-CG1 4.32Å; Y168-I198 HydrophobicContact CG-CD1 4.34Å; Y168-I198 PolarHBondContact N-O 3.39Å; Y168-I198 PolarHBondContact O-N 3.4Å |
| 169 | A | 85.3 | Confident | 85.4 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N195 L196 R197 | A169-N195 HydrophobicContact CB-CB 4.33Å; A169-L196 VanDerWaalsContact CA-O 3.31Å; A169-L196 WeakPolarHBondContact CA-O 3.39Å; A169-R197 HydrophobicContact CB-CG 4.03Å |
| 170 | V | 81.6 | Confident | 84.9 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.2 | 170.7 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | Y168 D174 Y175 N195 L196 | Y168-V170 HydrophobicContact CD1-CG2 3.91Å; Y168-V170 HydrophobicContact CE1-CG2 3.05Å; Y168-V170 HydrophobicContact CE2-CG2 4.29Å; Y168-V170 WeakPolarHBondContact OH-CG2 3.32Å; V170-D174 HydrophobicContact CG1-CB 4.29Å; V170-Y175 HydrophobicContact CB-CD2 4.49Å; V170-Y175 HydrophobicContact CB-CE2 3.68Å; V170-Y175 HydrophobicContact CG1-CD2 3.78Å; V170-Y175 HydrophobicContact CG1-CE2 3.36Å; V170-Y175 HydrophobicContact CG2-CE2 4.5Å; V170-N195 CarbonylContact O-C 3.59Å; V170-N195 WeakPolarHBondContact O-CA 3.25Å; V170-N195 WeakPolarHBondContact O-CB 3.4Å; V170-L196 PolarHBondContact N-O 3.42Å; V170-L196 PolarHBondContact O-N 3.39Å |
| 171 | P | 80.5 | Confident | 84.4 | Confident | 31 Ų | 31 | 68 Ų | 68 | 20% | 0.201 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.3 | 170.1 | -23.6 | 34.2 | 0 | 0 | 0 | 111.3 | K173 D174 N195 | P171-K173 HydrophobicContact CB-CD 4.42Å; P171-K173 HydrophobicContact CB-CG 3.81Å; P171-K173 PolarHBondContact O-N 3.3Å; P171-D174 WeakPolarHBondContact CD-OD2 3.31Å; P171-D174 VanDerWaalsContact CG-OD2 3.32Å; P171-D174 WeakPolarHBondContact CG-OD2 3.32Å; P171-D174 PolarHBondContact O-N 2.87Å; P171-N195 WeakPolarHBondContact CA-OD1 3.19Å; P171-N195 WeakPolarHBondContact CG-OD1 3.49Å |
| 172 | Y | 77.2 | Confident | 83.6 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -61 | -30.7 | 178.4 | -74.2 | -57.1 | 0 | 0 | 0 | 113.6 | L33 T151 D174 Y175 F184 A194 L196 | L33-Y172 HydrophobicContact CD2-CD1 4.46Å; L33-Y172 HydrophobicContact CD2-CE1 3.71Å; T151-Y172 WeakPolarHBondContact CA-OH 3.32Å; T151-Y172 WeakPolarHBondContact CB-OH 3.29Å; T151-Y172 PolarHBondContact O-OH 2.7Å; Y172-D174 PolarHBondContact O-N 3.35Å; Y172-Y175 HydrophobicContact CD1-CD2 4.39Å; Y172-Y175 PolarHBondContact O-N 3.05Å; Y172-Y175 VanDerWaalsContact O-N 3.07Å; Y172-F184 HydrophobicContact CD1-CB 4.16Å; Y172-A194 HydrophobicContact CD2-CB 3.73Å; Y172-A194 WeakPolarHBondContact CD2-O 3.49Å; Y172-A194 HydrophobicContact CE2-CB 4.28Å; Y172-A194 PolarHBondContact N-O 3.16Å; Y172-L196 HydrophobicContact CE1-CB 4.31Å |
| 173 | K | 77.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 66 Ų | 66 | 39% | 0.391 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -59.1 | -22.3 | 174.3 | 67.4 | -173.5 | -177.2 | -166.8 | 0 | 113.9 | P171 L176 D192 | P171-K173 HydrophobicContact CB-CD 4.42Å; P171-K173 HydrophobicContact CB-CG 3.81Å; P171-K173 PolarHBondContact O-N 3.3Å; K173-L176 VanDerWaalsContact O-CD2 3.29Å; K173-L176 WeakPolarHBondContact O-CD2 3.48Å; K173-D192 IonicContact NZ-OD1 2.78Å; K173-D192 PolarHBondContact NZ-OD1 3.13Å |
| 174 | D | 82.2 | Confident | 81.5 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -90.6 | -7.3 | -179.8 | -59.5 | -22.3 | 0 | 0 | 0 | 112.4 | V170 P171 Y172 L176 | V170-D174 HydrophobicContact CG1-CB 4.29Å; P171-D174 WeakPolarHBondContact CD-OD2 3.31Å; P171-D174 VanDerWaalsContact CG-OD2 3.32Å; P171-D174 WeakPolarHBondContact CG-OD2 3.32Å; P171-D174 PolarHBondContact O-N 2.87Å; Y172-D174 PolarHBondContact O-N 3.35Å; D174-L176 PolarHBondContact O-N 3.4Å |
| 175 | Y | 76.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | trans | -82.8 | 90.9 | 170.6 | -83.2 | -82.8 | 0 | 0 | 0 | 110.2 | V170 Y172 Q182 L183 F184 L196 | V170-Y175 HydrophobicContact CB-CD2 4.49Å; V170-Y175 HydrophobicContact CB-CE2 3.68Å; V170-Y175 HydrophobicContact CG1-CD2 3.78Å; V170-Y175 HydrophobicContact CG1-CE2 3.36Å; V170-Y175 HydrophobicContact CG2-CE2 4.5Å; Y172-Y175 HydrophobicContact CD1-CD2 4.39Å; Y172-Y175 PolarHBondContact O-N 3.05Å; Y172-Y175 VanDerWaalsContact O-N 3.07Å; Y175-Q182 CarbonylContact O-C 3.5Å; Y175-Q182 WeakPolarHBondContact O-CA 3.29Å; Y175-L183 WeakPolarHBondContact O-CB 3.27Å; Y175-L183 PolarHBondContact O-N 2.88Å; Y175-F184 HydrophobicContact CD1-CD2 4.42Å; Y175-F184 HydrophobicContact CD1-CE2 4.12Å; Y175-F184 HydrophobicContact CG-CD2 4.04Å; Y175-F184 HydrophobicContact CG-CE2 4.21Å; Y175-L196 HydrophobicContact CE2-CB 4.47Å | ||
| 176 | L | 80.4 | Confident | 79.3 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 145 | -179.2 | -52.5 | -178.7 | 0 | 0 | 0 | 111.9 | K173 D174 K181 Q182 | K173-L176 VanDerWaalsContact O-CD2 3.29Å; K173-L176 WeakPolarHBondContact O-CD2 3.48Å; D174-L176 PolarHBondContact O-N 3.4Å; L176-K181 CarbonylContact C-O 3.54Å; L176-K181 VanDerWaalsContact CA-O 3.32Å; L176-K181 WeakPolarHBondContact CA-O 3.4Å; L176-Q182 HydrophobicContact CD2-CB 4.42Å |
| 177 | D | 81.3 | Confident | 78 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | trans | -73.6 | 179.4 | 167.1 | 80.8 | -5.6 | 0 | 0 | 0 | 111.3 | N179 G180 K181 L183 | D177-N179 PolarHBondContact O-N 2.99Å; D177-N179 VanDerWaalsContact OD1-C 3.3Å; D177-N179 VanDerWaalsContact OD1-CA 3.26Å; D177-N179 WeakPolarHBondContact OD1-CA 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 3.44Å; D177-N179 PolarHBondContact OD2-ND2 3.48Å; D177-G180 PolarHBondContact O-N 3.45Å; D177-G180 PolarHBondContact OD1-N 3.29Å; D177-K181 PolarHBondContact N-O 2.92Å; D177-K181 PolarHBondContact OD1-N 3.3Å; D177-L183 HydrophobicContact CB-CD1 3.86Å | ||
| 178 | S | 84.4 | Confident | 76.5 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 85% | 0.853 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.3 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 179 | N | 86.4 | Confident | 75 | Confident | 136 Ų | 136 | 74.1 Ų | 74.1 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4.4 | 178.6 | -50.4 | -58.7 | 0 | 0 | 0 | 112.1 | D177 K181 | D177-N179 PolarHBondContact O-N 2.99Å; D177-N179 VanDerWaalsContact OD1-C 3.3Å; D177-N179 VanDerWaalsContact OD1-CA 3.26Å; D177-N179 WeakPolarHBondContact OD1-CA 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 3.44Å; D177-N179 PolarHBondContact OD2-ND2 3.48Å; N179-K181 VanDerWaalsContact C-N 3.3Å |
| 180 | G | 82.6 | Confident | 73.4 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 77.8 | 12.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D177 | D177-G180 PolarHBondContact O-N 3.45Å; D177-G180 PolarHBondContact OD1-N 3.29Å |
| 181 | K | 80.8 | Confident | 72.1 | Confident | 123 Ų | 123 | 84.1 Ų | 84.1 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | trans | -88.5 | 138.4 | 176.2 | -171.2 | -175.3 | 176 | -164.8 | 0 | 110.1 | L176 D177 N179 L183 E185 | L176-K181 CarbonylContact C-O 3.54Å; L176-K181 VanDerWaalsContact CA-O 3.32Å; L176-K181 WeakPolarHBondContact CA-O 3.4Å; D177-K181 PolarHBondContact N-O 2.92Å; D177-K181 PolarHBondContact OD1-N 3.3Å; N179-K181 VanDerWaalsContact C-N 3.3Å; K181-L183 PolarHBondContact O-N 2.69Å; K181-E185 WeakPolarHBondContact CE-OE1 3.2Å; K181-E185 IonicContact NZ-OE1 3.15Å; K181-E185 PolarHBondContact NZ-OE1 3.01Å; K181-E185 VanDerWaalsContact NZ-OE1 3.15Å | ||
| 182 | Q | 75.6 | Confident | 71 | Confident | 43 Ų | 43 | 88 Ų | 88 | 20% | 0.201 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -56 | 124.5 | 173.4 | -175.2 | 171.6 | -16.9 | 0 | 0 | 111.5 | Y175 L176 F184 | Y175-Q182 CarbonylContact O-C 3.5Å; Y175-Q182 WeakPolarHBondContact O-CA 3.29Å; L176-Q182 HydrophobicContact CD2-CB 4.42Å; Q182-F184 PolarHBondContact NE2-O 2.94Å |
| 183 | L | 73.9 | Confident | 70 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 45% | 0.45 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -81.5 | -32.8 | -175.2 | -162.7 | 121.2 | 0 | 0 | 0 | 112 | Y175 D177 K181 | Y175-L183 WeakPolarHBondContact O-CB 3.27Å; Y175-L183 PolarHBondContact O-N 2.88Å; D177-L183 HydrophobicContact CB-CD1 3.86Å; K181-L183 PolarHBondContact O-N 2.69Å |
| 184 | F | 69.5 | Low | 69.2 | Low | 31 Ų | 31 | 85.7 Ų | 85.7 | 14% | 0.136 | 45% | 0.445 | C | S | . | . | trans | -115.7 | 85.5 | -179.8 | -58.3 | -67 | 0 | 0 | 0 | 111.3 | L33 A36 Y172 Y175 Q182 C186 | L33-F184 HydrophobicContact CB-CD1 4.36Å; L33-F184 HydrophobicContact CB-CE1 4.25Å; L33-F184 HydrophobicContact CD2-CB 4.22Å; L33-F184 HydrophobicContact CD2-CD1 3.54Å; L33-F184 HydrophobicContact CD2-CD2 4.01Å; L33-F184 HydrophobicContact CD2-CE1 3.78Å; L33-F184 HydrophobicContact CD2-CE2 4.22Å; L33-F184 HydrophobicContact CD2-CG 3.66Å; L33-F184 HydrophobicContact CD2-CZ 4.11Å; A36-F184 HydrophobicContact CB-CB 4.44Å; A36-F184 HydrophobicContact CB-CD1 4.24Å; Y172-F184 HydrophobicContact CD1-CB 4.16Å; Y175-F184 HydrophobicContact CD1-CD2 4.42Å; Y175-F184 HydrophobicContact CD1-CE2 4.12Å; Y175-F184 HydrophobicContact CG-CD2 4.04Å; Y175-F184 HydrophobicContact CG-CE2 4.21Å; Q182-F184 PolarHBondContact NE2-O 2.94Å; F184-C186 VanDerWaalsContact C-N 3.28Å; F184-C186 PolarHBondContact O-N 3.17Å; F184-C186 VanDerWaalsContact O-N 3.07Å | ||
| 185 | E | 69.7 | Low | 68.6 | Low | 112 Ų | 112 | 81.6 Ų | 81.6 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | trans | -80.5 | 74.8 | 170 | -70.3 | 177.3 | -159.3 | 0 | 0 | 109.7 | K181 | K181-E185 WeakPolarHBondContact CE-OE1 3.2Å; K181-E185 IonicContact NZ-OE1 3.15Å; K181-E185 PolarHBondContact NZ-OE1 3.01Å; K181-E185 VanDerWaalsContact NZ-OE1 3.15Å | ||
| 186 | C | 64.3 | Low | 68.5 | Low | 7 Ų | 7 | 78.9 Ų | 78.9 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | trans | -78.2 | 155.6 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | P32 F184 N188 S189 | P32-C186 VanDerWaalsContact C-SG 3.59Å; P32-C186 HydrophobicContact CB-CB 3.97Å; P32-C186 VanDerWaalsContact CB-SG 3.57Å; P32-C186 PolarHBondContact O-SG 3.33Å; F184-C186 VanDerWaalsContact C-N 3.28Å; F184-C186 PolarHBondContact O-N 3.17Å; F184-C186 VanDerWaalsContact O-N 3.07Å; C186-N188 PolarHBondContact O-N 3.07Å; C186-N188 VanDerWaalsContact O-N 3.11Å; C186-S189 WeakPolarHBondContact O-CB 3.49Å; C186-S189 PolarHBondContact O-N 3Å; C186-S189 PolarHBondContact O-OG 3.21Å; C186-S189 VanDerWaalsContact O-OG 3.08Å | ||
| 187 | R | 59.6 | Low | 68.3 | Low | 212 Ų | 212 | 78.3 Ų | 78.3 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 123.1 | 165.2 | -80.4 | -179.9 | 172.4 | 160.6 | 0.2 | 109.9 | ||
| 188 | N | 53.8 | Low | 68.1 | Low | 123 Ų | 123 | 75.9 Ų | 75.9 | 66% | 0.658 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.7 | -172.6 | -44 | -31.9 | 0 | 0 | 0 | 115.4 | C186 E190 D191 A194 | C186-N188 PolarHBondContact O-N 3.07Å; C186-N188 VanDerWaalsContact O-N 3.11Å; N188-E190 PolarHBondContact O-N 3.06Å; N188-E190 VanDerWaalsContact O-N 3.09Å; N188-D191 HydrophobicContact CB-CB 4.38Å; N188-D191 WeakPolarHBondContact O-CB 3.2Å; N188-D191 PolarHBondContact O-N 2.82Å; N188-A194 VanDerWaalsContact O-CB 3.24Å; N188-A194 WeakPolarHBondContact O-CB 3.36Å |
| 189 | S | 52.6 | Low | 67.9 | Low | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.8 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | C186 | C186-S189 WeakPolarHBondContact O-CB 3.49Å; C186-S189 PolarHBondContact O-N 3Å; C186-S189 PolarHBondContact O-OG 3.21Å; C186-S189 VanDerWaalsContact O-OG 3.08Å |
| 190 | E | 50.1 | Low | 67.6 | Low | 181 Ų | 181 | 64 Ų | 64 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11.7 | 173.7 | -61.3 | -170.2 | 171.4 | 0 | 0 | 113.5 | N188 | N188-E190 PolarHBondContact O-N 3.06Å; N188-E190 VanDerWaalsContact O-N 3.09Å |
| 191 | D | 56.1 | Low | 67.2 | Low | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -82.3 | 129.3 | 175.6 | -171.1 | -39.3 | 0 | 0 | 0 | 109 | N188 S193 A194 | N188-D191 HydrophobicContact CB-CB 4.38Å; N188-D191 WeakPolarHBondContact O-CB 3.2Å; N188-D191 PolarHBondContact O-N 2.82Å; D191-S193 PolarHBondContact O-N 3.22Å; D191-S193 VanDerWaalsContact OD1-CB 3.26Å; D191-S193 WeakPolarHBondContact OD1-CB 3.28Å; D191-S193 PolarHBondContact OD1-N 3.27Å; D191-S193 PolarHBondContact OD1-OG 3.24Å; D191-S193 PolarHBondContact OD2-OG 3.35Å; D191-A194 VanDerWaalsContact O-CB 3.29Å; D191-A194 WeakPolarHBondContact O-CB 3.48Å; D191-A194 PolarHBondContact O-N 3.08Å |
| 192 | D | 55.9 | Low | 66.6 | Low | 114 Ų | 114 | 63.4 Ų | 63.4 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -12.3 | 178.1 | -76.4 | -30.7 | 0 | 0 | 0 | 113 | K173 A194 N195 | K173-D192 IonicContact NZ-OD1 2.78Å; K173-D192 PolarHBondContact NZ-OD1 3.13Å; D192-A194 VanDerWaalsContact C-N 3.34Å; D192-N195 PolarHBondContact O-ND2 3.29Å |
| 193 | S | 55.9 | Low | 66.3 | Low | 29 Ų | 29 | 62.3 Ų | 62.3 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -16.6 | 170.8 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | D191 N195 | D191-S193 PolarHBondContact O-N 3.22Å; D191-S193 VanDerWaalsContact OD1-CB 3.26Å; D191-S193 WeakPolarHBondContact OD1-CB 3.28Å; D191-S193 PolarHBondContact OD1-N 3.27Å; D191-S193 PolarHBondContact OD1-OG 3.24Å; D191-S193 PolarHBondContact OD2-OG 3.35Å; S193-N195 PolarHBondContact O-N 2.91Å; S193-N195 PolarHBondContact O-ND2 2.95Å |
| 194 | A | 61.7 | Low | 66 | Low | 16 Ų | 16 | 60.7 Ų | 60.7 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | trans | -82.1 | 84.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y172 N188 D191 D192 | Y172-A194 HydrophobicContact CD2-CB 3.73Å; Y172-A194 WeakPolarHBondContact CD2-O 3.49Å; Y172-A194 HydrophobicContact CE2-CB 4.28Å; Y172-A194 PolarHBondContact N-O 3.16Å; N188-A194 VanDerWaalsContact O-CB 3.24Å; N188-A194 WeakPolarHBondContact O-CB 3.36Å; D191-A194 VanDerWaalsContact O-CB 3.29Å; D191-A194 WeakPolarHBondContact O-CB 3.48Å; D191-A194 PolarHBondContact O-N 3.08Å; D192-A194 VanDerWaalsContact C-N 3.34Å | ||
| 195 | N | 70.3 | Confident | 65.4 | Low | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.8 | -179.7 | -57.6 | -82 | 0 | 0 | 0 | 111.2 | Q156 A169 V170 P171 D192 S193 R197 | Q156-N195 PolarHBondContact NE2-O 3.05Å; A169-N195 HydrophobicContact CB-CB 4.33Å; V170-N195 CarbonylContact O-C 3.59Å; V170-N195 WeakPolarHBondContact O-CA 3.25Å; V170-N195 WeakPolarHBondContact O-CB 3.4Å; P171-N195 WeakPolarHBondContact CA-OD1 3.19Å; P171-N195 WeakPolarHBondContact CG-OD1 3.49Å; D192-N195 PolarHBondContact O-ND2 3.29Å; S193-N195 PolarHBondContact O-N 2.91Å; S193-N195 PolarHBondContact O-ND2 2.95Å; N195-R197 HydrophobicContact CB-CG 4.04Å |
| 196 | L | 73.8 | Confident | 64.5 | Low | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.2 | 154.2 | -177.3 | 149.6 | 0 | 0 | 0 | 107.6 | V149 T151 A169 V170 Y172 Y175 I198 | V149-L196 HydrophobicContact CG1-CD1 3.76Å; V149-L196 HydrophobicContact CG1-CD2 3.67Å; V149-L196 HydrophobicContact CG1-CG 3.56Å; T151-L196 HydrophobicContact CG2-CD1 4.46Å; A169-L196 VanDerWaalsContact CA-O 3.31Å; A169-L196 WeakPolarHBondContact CA-O 3.39Å; V170-L196 PolarHBondContact N-O 3.42Å; V170-L196 PolarHBondContact O-N 3.39Å; Y172-L196 HydrophobicContact CE1-CB 4.31Å; Y175-L196 HydrophobicContact CE2-CB 4.47Å; L196-I198 HydrophobicContact CD2-CG1 4.34Å |
| 197 | R | 77.2 | Confident | 63.6 | Low | 83 Ų | 83 | 74.1 Ų | 74.1 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.6 | 178.5 | -65.4 | -170.1 | 178 | 174.1 | 0.6 | 112.1 | V149 A150 Q156 Y168 A169 N195 T199 | V149-R197 CarbonylContact C-O 3.51Å; V149-R197 WeakPolarHBondContact CA-O 3.44Å; A150-R197 HydrophobicContact CB-CB 4.5Å; A150-R197 PolarHBondContact N-O 2.83Å; A150-R197 PolarHBondContact O-N 3.35Å; A150-R197 VanDerWaalsContact O-N 3.12Å; Q156-R197 HydrophobicContact CG-CB 4.39Å; Q156-R197 HydrophobicContact CG-CG 4.3Å; Y168-R197 CarbonylContact O-C 3.56Å; Y168-R197 WeakPolarHBondContact O-CA 3.27Å; A169-R197 HydrophobicContact CB-CG 4.03Å; N195-R197 HydrophobicContact CB-CG 4.04Å; R197-T199 HydrophobicContact CB-CG2 3.84Å |
| 198 | I | 76.3 | Confident | 63.1 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.8 | 167.1 | -54.4 | 172.5 | 0 | 0 | 0 | 107 | F90 T93 V94 L147 A167 Y168 L196 | F90-I198 HydrophobicContact CB-CD1 3.86Å; F90-I198 HydrophobicContact CD1-CD1 3.21Å; F90-I198 HydrophobicContact CD1-CG1 4.02Å; F90-I198 HydrophobicContact CE1-CD1 3.99Å; F90-I198 HydrophobicContact CG-CD1 3.84Å; F90-I198 HydrophobicContact CG-CG1 4.46Å; T93-I198 HydrophobicContact CG2-CD1 3.99Å; V94-I198 HydrophobicContact CG2-CG2 3.5Å; V94-I198 VanDerWaalsContact CG2-CG2 3.5Å; L147-I198 HydrophobicContact CD1-CG2 3.4Å; L147-I198 HydrophobicContact CG-CG2 4.43Å; A167-I198 PolarHBondContact N-O 3.3Å; Y168-I198 HydrophobicContact CD1-CD1 3.75Å; Y168-I198 HydrophobicContact CD1-CG1 4.32Å; Y168-I198 HydrophobicContact CG-CD1 4.34Å; Y168-I198 PolarHBondContact N-O 3.39Å; Y168-I198 PolarHBondContact O-N 3.4Å; L196-I198 HydrophobicContact CD2-CG1 4.34Å |
| 199 | T | 79.4 | Confident | 62.8 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.8 | -175.4 | 73.4 | 0 | 0 | 0 | 0 | 111.5 | A148 F164 E165 C166 R197 | A148-T199 PolarHBondContact N-O 3.3Å; A148-T199 PolarHBondContact O-N 2.89Å; A148-T199 PolarHBondContact O-OG1 3.02Å; F164-T199 WeakPolarHBondContact CD1-OG1 3.44Å; E165-T199 CarbonylContact O-C 3.46Å; E165-T199 WeakPolarHBondContact O-CA 3.2Å; E165-T199 VanDerWaalsContact O-CB 3.32Å; E165-T199 WeakPolarHBondContact O-CB 3.48Å; C166-T199 HydrophobicContact CB-CG2 4.42Å; R197-T199 HydrophobicContact CB-CG2 3.84Å |
| 200 | F | 81.4 | Confident | 62.2 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.6 | 178.5 | 74.3 | -76.4 | 0 | 0 | 0 | 111.1 | V94 H97 L98 F145 V146 F164 E165 A167 | V94-F200 HydrophobicContact CG1-CB 4.12Å; V94-F200 HydrophobicContact CG1-CD1 3.55Å; V94-F200 HydrophobicContact CG1-CD2 4.09Å; V94-F200 HydrophobicContact CG1-CE1 3.97Å; V94-F200 HydrophobicContact CG1-CE2 4.46Å; V94-F200 HydrophobicContact CG1-CG 3.63Å; V94-F200 HydrophobicContact CG1-CZ 4.41Å; V94-F200 HydrophobicContact CG2-CD1 4.46Å; H97-F200 HydrophobicContact CB-CE1 3.7Å; H97-F200 HydrophobicContact CB-CZ 3.51Å; L98-F200 HydrophobicContact CD2-CD2 3.76Å; L98-F200 HydrophobicContact CD2-CE2 3.49Å; L98-F200 VanDerWaalsContact CD2-CE2 3.49Å; L98-F200 HydrophobicContact CD2-CZ 4.38Å; L98-F200 HydrophobicContact CG-CE2 4.26Å; F145-F200 HydrophobicContact CD2-CB 4.41Å; V146-F200 WeakPolarHBondContact O-CA 3.29Å; V146-F200 VanDerWaalsContact O-CB 3.24Å; V146-F200 WeakPolarHBondContact O-CB 3.47Å; F164-F200 CarbonylContact C-O 3.53Å; F164-F200 WeakPolarHBondContact CA-O 3.5Å; E165-F200 PolarHBondContact N-O 2.86Å; E165-F200 PolarHBondContact O-N 3.07Å; A167-F200 HydrophobicContact CB-CD1 4.04Å; A167-F200 HydrophobicContact CB-CE1 3.96Å |
| 201 | P | 72.9 | Confident | 61.8 | Low | 7 Ų | 7 | 65.1 Ų | 65.1 | 5% | 0.045 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 151.4 | 170.6 | 34.5 | -24.8 | 0 | 0 | 0 | 110.3 | L135 V146 G163 F164 L203 | L135-P201 HydrophobicContact CD2-CG 3.62Å; V146-P201 HydrophobicContact CB-CG 4.1Å; V146-P201 WeakPolarHBondContact O-CD 3.35Å; G163-P201 WeakPolarHBondContact O-CA 3.45Å; F164-P201 HydrophobicContact CD1-CG 4.34Å; F164-P201 HydrophobicContact CD2-CB 4.17Å; F164-P201 HydrophobicContact CD2-CG 4.15Å; F164-P201 HydrophobicContact CE1-CG 4.17Å; F164-P201 HydrophobicContact CE2-CB 4.42Å; F164-P201 HydrophobicContact CE2-CG 3.97Å; F164-P201 HydrophobicContact CG-CB 4.36Å; F164-P201 HydrophobicContact CG-CG 4.33Å; F164-P201 HydrophobicContact CZ-CG 3.98Å; P201-L203 HydrophobicContact CG-CD2 4.06Å; P201-L203 PolarHBondContact O-N 2.92Å |
| 202 | R | 68.7 | Low | 60.9 | Low | 150 Ų | 150 | 71.9 Ų | 71.9 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | trans | -73.3 | 108.2 | 161.7 | -64.9 | -178.1 | -175.2 | -141.3 | -4.6 | 108.6 | E165 | E165-R202 IonicContact OE1-NE 3.07Å; E165-R202 IonicContact OE2-NE 3.41Å | ||
| 203 | L | 69.6 | Low | 59.6 | Low | 19 Ų | 19 | 74.4 Ų | 74.4 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | trans | -73.6 | -30.4 | 177.7 | -66.7 | -178.8 | 0 | 0 | 0 | 112.5 | L135 A138 K139 C143 V146 P201 | L135-L203 HydrophobicContact CD2-CD2 4.2Å; A138-L203 HydrophobicContact CB-CD1 4.16Å; K139-L203 HydrophobicContact CG-CB 4.41Å; K139-L203 HydrophobicContact CG-CD2 4.26Å; C143-L203 HydrophobicContact CB-CD1 4.32Å; C143-L203 WeakPolarHBondContact O-CD1 3.01Å; V146-L203 HydrophobicContact CG2-CD1 4.18Å; V146-L203 HydrophobicContact CG2-CD2 4.23Å; P201-L203 HydrophobicContact CG-CD2 4.06Å; P201-L203 PolarHBondContact O-N 2.92Å | ||
| 204 | Y | 68.1 | Low | 58.5 | Low | 52 Ų | 52 | 81 Ų | 81 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -123.7 | 149.3 | -176.4 | -46.9 | -78.4 | 0 | 0 | 0 | 110.5 | Q142 C143 L209 | Q142-Y204 WeakPolarHBondContact CA-OH 3.34Å; C143-Y204 WeakPolarHBondContact O-CE2 3.32Å; C143-Y204 PolarHBondContact O-OH 2.79Å; Y204-L209 HydrophobicContact CD1-CD1 3.96Å; Y204-L209 HydrophobicContact CD2-CD1 3.5Å; Y204-L209 HydrophobicContact CE1-CD1 4.17Å; Y204-L209 HydrophobicContact CE2-CD1 3.73Å; Y204-L209 HydrophobicContact CG-CD1 3.63Å |
| 205 | R | 57.3 | Low | 57.1 | Low | 219 Ų | 219 | 87.3 Ų | 87.3 | 83% | 0.826 | 43% | 0.428 | S | S | * | . | trans | -76.4 | 149 | 165.6 | -69.8 | -176.4 | -177.8 | 173.4 | 1.1 | 108.8 | G207 S208 | R205-G207 PolarHBondContact O-N 3.23Å; R205-G207 VanDerWaalsContact O-N 3.14Å; R205-S208 PolarHBondContact N-OG 3.15Å; R205-S208 VanDerWaalsContact N-OG 3.09Å; R205-S208 PolarHBondContact O-N 3.19Å; R205-S208 VanDerWaalsContact O-N 3.09Å; R205-S208 PolarHBondContact O-OG 2.77Å | ||
| 206 | L | 49.3 | Very low | 55.7 | Low | 130 Ų | 130 | 98.4 Ų | 98.4 | 68% | 0.681 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | 121.4 | 170.5 | -81.7 | 155 | 0 | 0 | 0 | 110 | D99 | D99-L206 HydrophobicContact CB-CD2 4.48Å; D99-L206 WeakPolarHBondContact OD2-CD2 3.26Å |
| 207 | G | 46.1 | Very low | 54.8 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 87% | 0.866 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 9.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | R205 | R205-G207 PolarHBondContact O-N 3.23Å; R205-G207 VanDerWaalsContact O-N 3.14Å |
| 208 | S | 49.7 | Very low | 53.7 | Low | 59 Ų | 59 | 103.6 Ų | 103.6 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | trans | -103.3 | 3.2 | -174.8 | 55.4 | 0 | 0 | 0 | 0 | 116.7 | R205 V210 | R205-S208 PolarHBondContact N-OG 3.15Å; R205-S208 VanDerWaalsContact N-OG 3.09Å; R205-S208 PolarHBondContact O-N 3.19Å; R205-S208 VanDerWaalsContact O-N 3.09Å; R205-S208 PolarHBondContact O-OG 2.77Å; S208-V210 PolarHBondContact O-N 3.38Å | ||
| 209 | L | 46.2 | Very low | 52.4 | Low | 48 Ų | 48 | 109.3 Ų | 109.3 | 25% | 0.251 | 54% | 0.537 | S | S | . | . | trans | -74.7 | 94.7 | 168.1 | -117.1 | 109.8 | 0 | 0 | 0 | 109.1 | N105 Y204 I211 | N105-L209 HydrophobicContact CB-CD2 3.8Å; Y204-L209 HydrophobicContact CD1-CD1 3.96Å; Y204-L209 HydrophobicContact CD2-CD1 3.5Å; Y204-L209 HydrophobicContact CE1-CD1 4.17Å; Y204-L209 HydrophobicContact CE2-CD1 3.73Å; Y204-L209 HydrophobicContact CG-CD1 3.63Å; L209-I211 PolarHBondContact O-N 3.06Å | ||
| 210 | V | 39.4 | Very low | 50.8 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 75% | 0.745 | 57% | 0.566 | S | S | * | * | trans | -76.2 | 104.7 | 170.8 | 180 | 0 | 0 | 0 | 0 | 107.8 | S208 R212 | S208-V210 PolarHBondContact O-N 3.38Å; V210-R212 PolarHBondContact O-N 2.84Å | ||
| 211 | I | 43.3 | Very low | 48.9 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | trans | -64.5 | 117.8 | 170.3 | -56.8 | 176.3 | 0 | 0 | 0 | 107 | L209 Q213 | L209-I211 PolarHBondContact O-N 3.06Å; I211-Q213 PolarHBondContact O-N 3.02Å | ||
| 212 | R | 36.7 | Very low | 47.3 | Very low | 231 Ų | 231 | 130.2 Ų | 130.2 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | trans | -73.4 | 102.8 | 156.2 | -76.7 | -172.5 | 175.3 | -170.9 | -1.4 | 105.5 | V210 E214 | V210-R212 PolarHBondContact O-N 2.84Å; R212-E214 PolarHBondContact O-N 2.8Å | ||
| 213 | Q | 29.2 | Very low | 45.8 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 78% | 0.78 | 64% | 0.644 | S | S | * | * | trans | -58.9 | 117.6 | 157.6 | -98.3 | 178.9 | -39.7 | 0 | 0 | 105.9 | I211 D215 | I211-Q213 PolarHBondContact O-N 3.02Å; Q213-D215 PolarHBondContact O-N 3.3Å; Q213-D215 VanDerWaalsContact O-N 3.16Å | ||
| 214 | E | 32.3 | Very low | 43.9 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -67.4 | 106.7 | 161.4 | -73.9 | -175.4 | 154.9 | 0 | 0 | 106.3 | R212 H216 | R212-E214 PolarHBondContact O-N 2.8Å; E214-H216 PolarHBondContact O-N 3.05Å; E214-H216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | D | 32.3 | Very low | 41.9 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -68.6 | 99.5 | 166.6 | -74.8 | -36.9 | 0 | 0 | 0 | 108.2 | Q213 | Q213-D215 PolarHBondContact O-N 3.3Å; Q213-D215 VanDerWaalsContact O-N 3.16Å | ||
| 216 | H | 41.4 | Very low | 40.5 | Very low | 243 Ų | 243 | 137.5 Ų | 137.5 | 100% | 1.125 | 72% | 0.717 | S | S | * | * | trans | -129.4 | 0 | 162.5 | -76 | -22.3 | 0 | 0 | 0 | 110.1 | E214 | E214-H216 PolarHBondContact O-N 3.05Å; E214-H216 VanDerWaalsContact O-N 3.13Å |
Retrieved 216 of 216 residues in 66.9 ms
(Link to these results)