| 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 | 61.5 | Low | 85.3 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 80% | 0.798 | 34% | 0.34 | S | S | * | . | 0 | 128.6 | 0 | -81.2 | -174 | -179 | 0 | 0 | 107.2 | Q6 | M1-Q6 HydrophobicContact CB-CG 4.48Š| |||
| 2 | S | 76.6 | Confident | 86 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -62.8 | 147.3 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | R4 S5 Q6 | S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 VanDerWaalsContact O-N 3.14Å; S2-S5 PolarHBondContact N-OG 3.16Å; S2-S5 VanDerWaalsContact N-OG 3.16Å; S2-S5 PolarHBondContact O-N 2.62Å; S2-S5 PolarHBondContact O-OG 3.12Å; S2-Q6 PolarHBondContact O-N 3.37Å | ||
| 3 | Y | 84.4 | Confident | 86.6 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.2 | -31.2 | 176.3 | 68 | -88.9 | 0 | 0 | 0 | 111.5 | Q6 L7 C21 | Y3-Q6 PolarHBondContact O-N 3.2Å; Y3-L7 PolarHBondContact O-N 3.41Å; Y3-C21 HydrophobicContact CE2-CB 4.17Å |
| 4 | R | 85.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.2 | -64.9 | -171 | 172 | -98.6 | -5.8 | 112.2 | S2 Q6 L7 A8 D19 C21 P22 | S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 VanDerWaalsContact O-N 3.14Å; R4-Q6 PolarHBondContact O-N 3.27Å; R4-L7 PolarHBondContact O-N 2.98Å; R4-L7 VanDerWaalsContact O-N 3.12Å; R4-A8 WeakPolarHBondContact O-CB 3.45Å; R4-A8 PolarHBondContact O-N 3.4Å; R4-D19 IonicContact CZ-OD2 3.77Å; R4-D19 IonicContact NH1-OD2 3.8Å; R4-D19 PolarHBondContact NH1-OD2 3.43Å; R4-C21 HydrophobicContact CG-CB 3.93Å; R4-P22 PolarHBondContact NH2-O 3.45Å |
| 5 | S | 84.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -23.7 | 179.5 | 62.4 | 0 | 0 | 0 | 0 | 114 | S2 H48 | S2-S5 PolarHBondContact N-OG 3.16Å; S2-S5 VanDerWaalsContact N-OG 3.16Å; S2-S5 PolarHBondContact O-N 2.62Å; S2-S5 PolarHBondContact O-OG 3.12Å; S5-H48 PolarHBondContact O-NE2 2.82Å |
| 6 | Q | 85.4 | Confident | 88 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -80.1 | -29 | 176.4 | -67 | 177.8 | -18.5 | 0 | 0 | 112.7 | M1 S2 Y3 R4 | M1-Q6 HydrophobicContact CB-CG 4.48Å; S2-Q6 PolarHBondContact O-N 3.37Å; Y3-Q6 PolarHBondContact O-N 3.2Å; R4-Q6 PolarHBondContact O-N 3.27Å |
| 7 | L | 88.5 | Confident | 88.4 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -94.6 | -8.6 | 179.9 | -68.6 | 171.7 | 0 | 0 | 0 | 112.9 | Y3 R4 C21 | Y3-L7 PolarHBondContact O-N 3.41Å; R4-L7 PolarHBondContact O-N 2.98Å; R4-L7 VanDerWaalsContact O-N 3.12Å; L7-C21 VanDerWaalsContact CD1-SG 3.55Å |
| 8 | A | 90.4 | Very high | 88.7 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | trans | -72.7 | 135.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R4 I17 E18 | R4-A8 WeakPolarHBondContact O-CB 3.45Å; R4-A8 PolarHBondContact O-N 3.4Å; A8-I17 HydrophobicContact CB-CD1 4.22Å; A8-I17 HydrophobicContact CB-CG1 4.19Å; A8-E18 CarbonylContact C-O 3.56Å; A8-E18 VanDerWaalsContact CA-O 3.24Å; A8-E18 WeakPolarHBondContact CA-O 3.28Å | ||
| 9 | E | 93 | Very high | 88.9 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.7 | 169.3 | -75.3 | -178.1 | 179.7 | 0 | 0 | 109.5 | E18 K20 | E9-E18 HydrophobicContact CB-CB 4.33Å; E9-E18 PolarHBondContact N-O 3.3Å; E9-E18 PolarHBondContact O-N 2.97Å; E9-K20 IonicContact OE1-NZ 2.84Å; E9-K20 PolarHBondContact OE1-NZ 3.14Å; E9-K20 WeakPolarHBondContact OE2-CE 3.27Å; E9-K20 IonicContact OE2-NZ 4Å; E9-K20 PolarHBondContact OE2-NZ 2.76Å |
| 10 | V | 93.5 | Very high | 88.9 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.6 | -175 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L12 I17 F49 L52 | V10-L12 HydrophobicContact CG1-CD2 3.62Å; V10-L12 HydrophobicContact CG1-CG 3.96Å; V10-I17 HydrophobicContact CG2-CD1 4.08Å; V10-I17 HydrophobicContact CG2-CG1 4.07Å; V10-F49 HydrophobicContact CG1-CD2 4.1Å; V10-L52 HydrophobicContact CB-CD1 4.11Å; V10-L52 HydrophobicContact CG1-CD1 4.05Å; V10-L52 HydrophobicContact CG2-CD1 3.83Å |
| 11 | D | 94.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 89.1 | 170.5 | -175 | 5.4 | 0 | 0 | 0 | 109.6 | G13 N14 L15 L16 P72 T73 F74 | D11-G13 PolarHBondContact O-N 3.32Å; D11-G13 PolarHBondContact OD1-N 3.46Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å; D11-N14 PolarHBondContact O-N 3.07Å; D11-N14 PolarHBondContact OD2-ND2 3.36Å; D11-L15 PolarHBondContact O-N 2.98Å; D11-L16 HydrophobicContact CB-CB 4.32Å; D11-L16 HydrophobicContact CB-CD2 4.08Å; D11-L16 PolarHBondContact N-O 3.46Å; D11-L16 PolarHBondContact O-N 2.64Å; D11-P72 WeakPolarHBondContact OD1-CA 3.43Å; D11-T73 VanDerWaalsContact CB-OG1 3.31Å; D11-T73 WeakPolarHBondContact CB-OG1 3.36Å; D11-T73 PolarHBondContact OD1-N 2.88Å; D11-T73 PolarHBondContact OD1-OG1 2.94Å; D11-T73 PolarHBondContact OD2-N 3.33Å; D11-T73 PolarHBondContact OD2-OG1 3.28Å; D11-F74 VanDerWaalsContact OD2-CB 3.26Å; D11-F74 WeakPolarHBondContact OD2-CB 3.46Å; D11-F74 PolarHBondContact OD2-N 3.24Å |
| 12 | L | 94.2 | Very high | 90 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.9 | 178.9 | -62.3 | 175.9 | 0 | 0 | 0 | 112.7 | V10 L15 F49 L52 L56 P70 | V10-L12 HydrophobicContact CG1-CD2 3.62Å; V10-L12 HydrophobicContact CG1-CG 3.96Å; L12-L15 PolarHBondContact O-N 3.44Å; L12-F49 HydrophobicContact CD2-CD2 4.2Å; L12-F49 HydrophobicContact CD2-CE2 3.86Å; L12-F49 HydrophobicContact CD2-CZ 4.48Å; L12-L52 HydrophobicContact CD1-CB 4.4Å; L12-L52 HydrophobicContact CD2-CB 4.2Å; L12-L56 HydrophobicContact CB-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD1 4.15Å; L12-L56 HydrophobicContact CD1-CD2 3.88Å; L12-L56 HydrophobicContact CD1-CG 4.17Å; L12-P70 HydrophobicContact CB-CG 3.7Å |
| 13 | G | 93.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -31.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D11 P70 | D11-G13 PolarHBondContact O-N 3.32Å; D11-G13 PolarHBondContact OD1-N 3.46Å; D11-G13 VanDerWaalsContact OD1-N 3.17Å; G13-P70 WeakPolarHBondContact CA-O 3.46Å |
| 14 | N | 94 | Very high | 89.6 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 6.5 | 174.2 | -71.4 | -40.1 | 0 | 0 | 0 | 113.1 | D11 L16 P72 | D11-N14 PolarHBondContact O-N 3.07Å; D11-N14 PolarHBondContact OD2-ND2 3.36Å; N14-L16 VanDerWaalsContact C-N 3.26Å; N14-L16 HydrophobicContact CB-CB 4.22Å; N14-L16 PolarHBondContact O-N 3.49Å; N14-P72 VanDerWaalsContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact OD1-CB 3.26Å |
| 15 | L | 94.4 | Very high | 88.4 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 52% | 0.518 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 44.6 | -174.2 | -52.5 | 174.9 | 0 | 0 | 0 | 112.2 | D11 L12 F49 F53 L69 | D11-L15 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.44Å; L15-F49 HydrophobicContact CB-CE2 4.43Å; L15-F49 HydrophobicContact CB-CZ 3.87Å; L15-F49 HydrophobicContact CD2-CZ 3.8Å; L15-F49 HydrophobicContact CG-CZ 4.45Å; L15-F53 HydrophobicContact CD2-CD2 4.04Å; L15-F53 HydrophobicContact CD2-CE2 3.7Å; L15-L69 HydrophobicContact CD2-CD1 4.26Å; L15-L69 HydrophobicContact CD2-CD2 4.17Å |
| 16 | L | 94.7 | Very high | 87 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.4 | -170.1 | 173.5 | 150.3 | 0 | 0 | 0 | 110.8 | D11 N14 E18 | D11-L16 HydrophobicContact CB-CB 4.32Å; D11-L16 HydrophobicContact CB-CD2 4.08Å; D11-L16 PolarHBondContact N-O 3.46Å; D11-L16 PolarHBondContact O-N 2.64Å; N14-L16 VanDerWaalsContact C-N 3.26Å; N14-L16 HydrophobicContact CB-CB 4.22Å; N14-L16 PolarHBondContact O-N 3.49Å; L16-E18 HydrophobicContact CD2-CG 3.73Å |
| 17 | I | 94.2 | Very high | 85.5 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.2 | 171.3 | -173.5 | 165 | 0 | 0 | 0 | 109 | A8 V10 C45 H48 F49 | A8-I17 HydrophobicContact CB-CD1 4.22Å; A8-I17 HydrophobicContact CB-CG1 4.19Å; V10-I17 HydrophobicContact CG2-CD1 4.08Å; V10-I17 HydrophobicContact CG2-CG1 4.07Å; I17-C45 HydrophobicContact CD1-CB 4.11Å; I17-C45 VanDerWaalsContact CD1-O 3.3Å; I17-C45 WeakPolarHBondContact CD1-O 3.46Å; I17-C45 HydrophobicContact CG2-CB 4.28Å; I17-H48 HydrophobicContact CD1-CB 4.46Å; I17-F49 HydrophobicContact CB-CD2 4.49Å; I17-F49 HydrophobicContact CD1-CB 4.3Å |
| 18 | E | 93.5 | Very high | 84 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.8 | 175.9 | -81.3 | 176.8 | -163.2 | 0 | 0 | 109.3 | A8 E9 L16 | A8-E18 CarbonylContact C-O 3.56Å; A8-E18 VanDerWaalsContact CA-O 3.24Å; A8-E18 WeakPolarHBondContact CA-O 3.28Å; E9-E18 HydrophobicContact CB-CB 4.33Å; E9-E18 PolarHBondContact N-O 3.3Å; E9-E18 PolarHBondContact O-N 2.97Å; L16-E18 HydrophobicContact CD2-CG 3.73Å |
| 19 | D | 91.9 | Very high | 82.3 | Confident | 46 Ų | 46 | 79 Ų | 79 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | trans | -82 | 116 | 169.3 | -175.7 | 8 | 0 | 0 | 0 | 109.8 | R4 C21 | R4-D19 IonicContact CZ-OD2 3.77Å; R4-D19 IonicContact NH1-OD2 3.8Å; R4-D19 PolarHBondContact NH1-OD2 3.43Å; D19-C21 VanDerWaalsContact OD1-CB 3.27Å; D19-C21 WeakPolarHBondContact OD1-CB 3.3Å; D19-C21 PolarHBondContact OD1-N 3Å | ||
| 20 | K | 90.5 | Very high | 80.6 | Confident | 118 Ų | 118 | 78.1 Ų | 78.1 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | trans | -89.7 | -2.6 | 178.7 | -64.2 | -172.3 | 176.5 | -174 | 0 | 113.4 | E9 | E9-K20 IonicContact OE1-NZ 2.84Å; E9-K20 PolarHBondContact OE1-NZ 3.14Å; E9-K20 WeakPolarHBondContact OE2-CE 3.27Å; E9-K20 IonicContact OE2-NZ 4Å; E9-K20 PolarHBondContact OE2-NZ 2.76Å | ||
| 21 | C | 88.1 | Confident | 78.9 | Confident | 12 Ų | 12 | 82.4 Ų | 82.4 | 8% | 0.081 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -74.4 | 148.5 | -179.7 | -71 | 0 | 0 | 0 | 0 | 112.4 | Y3 R4 L7 D19 L23 | Y3-C21 HydrophobicContact CE2-CB 4.17Å; R4-C21 HydrophobicContact CG-CB 3.93Å; L7-C21 VanDerWaalsContact CD1-SG 3.55Å; D19-C21 VanDerWaalsContact OD1-CB 3.27Å; D19-C21 WeakPolarHBondContact OD1-CB 3.3Å; D19-C21 PolarHBondContact OD1-N 3Å; C21-L23 PolarHBondContact O-N 3.49Å |
| 22 | P | 85.4 | Confident | 77.5 | Confident | 76 Ų | 76 | 86 Ų | 86 | 49% | 0.494 | 47% | 0.472 | S | S | . | . | trans | -59.7 | 136.9 | 174 | 26.2 | -34 | 0 | 0 | 0 | 110.2 | R4 N24 | R4-P22 PolarHBondContact NH2-O 3.45Å; P22-N24 VanDerWaalsContact C-N 3.27Å; P22-N24 PolarHBondContact O-N 2.98Å | ||
| 23 | L | 81.2 | Confident | 76.1 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -64.4 | -36.9 | 177.8 | -70.5 | 169 | 0 | 0 | 0 | 111.4 | C21 H37 Y38 | C21-L23 PolarHBondContact O-N 3.49Å; L23-H37 PolarHBondContact O-NE2 3.42Å; L23-Y38 HydrophobicContact CD2-CE1 4.41Å |
| 24 | N | 71.1 | Confident | 75.4 | Confident | 88 Ų | 88 | 91.5 Ų | 91.5 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -94.1 | 120 | 179.4 | -57.8 | 0.4 | 0 | 0 | 0 | 107.9 | P22 L33 | P22-N24 VanDerWaalsContact C-N 3.27Å; P22-N24 PolarHBondContact O-N 2.98Å; N24-L33 WeakPolarHBondContact OD1-CD1 3.24Å; N24-L33 VanDerWaalsContact OD1-CD2 3.28Å; N24-L33 WeakPolarHBondContact OD1-CD2 3.28Å |
| 25 | Q | 61.1 | Low | 74.9 | Confident | 112 Ų | 112 | 94.1 Ų | 94.1 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | trans | -59.6 | 148.9 | 155.1 | -68.3 | 172.3 | 11.2 | 0 | 0 | 106.8 | N27 | Q25-N27 PolarHBondContact O-N 3.36Š| ||
| 26 | F | 54.1 | Low | 74.5 | Confident | 194 Ų | 194 | 94.2 Ų | 94.2 | 85% | 0.851 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -56.5 | 23.5 | -170.8 | -71.6 | -93.2 | 0 | 0 | 0 | 117.4 | E28 | F26-E28 PolarHBondContact O-N 2.78Š|
| 27 | N | 53.6 | Low | 74 | Confident | 113 Ų | 113 | 94 Ų | 94 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | trans | -89.8 | 92.7 | 169.8 | -71.3 | -8.1 | 0 | 0 | 0 | 109.3 | Q25 A29 V30 | Q25-N27 PolarHBondContact O-N 3.36Å; N27-A29 PolarHBondContact O-N 2.79Å; N27-V30 PolarHBondContact O-N 2.61Å | ||
| 28 | E | 56.7 | Low | 73.7 | Confident | 200 Ų | 200 | 96.3 Ų | 96.3 | 94% | 0.935 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -8.1 | 166.5 | -66 | 178 | 158.7 | 0 | 0 | 113.3 | F26 | F26-E28 PolarHBondContact O-N 2.78Š|
| 29 | A | 55.6 | Low | 73.6 | Confident | 90 Ų | 90 | 100.8 Ų | 100.8 | 74% | 0.744 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N27 | N27-A29 PolarHBondContact O-N 2.79Š|
| 30 | V | 56.9 | Low | 73.4 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | trans | -106.4 | 92.5 | -179 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | N27 S32 | N27-V30 PolarHBondContact O-N 2.61Å; V30-S32 WeakPolarHBondContact CG1-O 3.48Å; V30-S32 PolarHBondContact O-N 2.92Å | ||
| 31 | S | 58.8 | Low | 73.4 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 92% | 0.916 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -68.2 | -16.7 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 32 | S | 64.1 | Low | 73.5 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -130.3 | 108.2 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | V30 D34 | V30-S32 WeakPolarHBondContact CG1-O 3.48Å; V30-S32 PolarHBondContact O-N 2.92Å; S32-D34 PolarHBondContact O-N 2.8Å |
| 33 | L | 65.4 | Low | 73.8 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 28% | 0.283 | 54% | 0.542 | S | S | . | . | trans | -64.3 | 118 | 167.6 | -73.2 | 135.3 | 0 | 0 | 0 | 108.1 | N24 H37 Y38 | N24-L33 WeakPolarHBondContact OD1-CD1 3.24Å; N24-L33 VanDerWaalsContact OD1-CD2 3.28Å; N24-L33 WeakPolarHBondContact OD1-CD2 3.28Å; L33-H37 VanDerWaalsContact CD2-CD2 3.44Å; L33-H37 WeakPolarHBondContact CD2-CD2 3.44Å; L33-Y38 HydrophobicContact CB-CE2 3.56Å; L33-Y38 WeakPolarHBondContact CB-OH 3.22Å; L33-Y38 WeakPolarHBondContact CD1-OH 3.35Å | ||
| 34 | D | 77.2 | Confident | 74.3 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | trans | -66.9 | 143.2 | 177.4 | -64.7 | -29.6 | 0 | 0 | 0 | 110.3 | S32 D36 H37 | S32-D34 PolarHBondContact O-N 2.8Å; D34-D36 PolarHBondContact O-N 2.94Å; D34-H37 WeakPolarHBondContact O-CB 3.47Å; D34-H37 PolarHBondContact O-N 3.46Å | ||
| 35 | D | 84.4 | Confident | 75.4 | Confident | 120 Ų | 120 | 96.9 Ų | 96.9 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -52.9 | -31.3 | 176.4 | -76.4 | -20 | 0 | 0 | 0 | 112 | H37 Y38 R39 | D35-H37 VanDerWaalsContact C-N 3.32Å; D35-H37 PolarHBondContact O-N 3.44Å; D35-Y38 PolarHBondContact O-N 3.22Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.31Å |
| 36 | D | 86.1 | Confident | 77 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -28.9 | 178.3 | -70.1 | -23.8 | 0 | 0 | 0 | 113.2 | D34 R39 T40 | D34-D36 PolarHBondContact O-N 2.94Å; D36-R39 PolarHBondContact O-N 2.71Å; D36-R39 IonicContact OD1-NH1 3.24Å; D36-R39 PolarHBondContact OD1-NH1 2.83Å; D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 3.43Å |
| 37 | H | 84.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 93.5 Ų | 93.5 | 22% | 0.222 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 173.9 | 179.7 | 70.6 | 0 | 0 | 0 | 111.2 | L23 L33 D34 D35 R39 T40 I41 | L23-H37 PolarHBondContact O-NE2 3.42Å; L33-H37 VanDerWaalsContact CD2-CD2 3.44Å; L33-H37 WeakPolarHBondContact CD2-CD2 3.44Å; D34-H37 WeakPolarHBondContact O-CB 3.47Å; D34-H37 PolarHBondContact O-N 3.46Å; D35-H37 VanDerWaalsContact C-N 3.32Å; D35-H37 PolarHBondContact O-N 3.44Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.92Å; H37-T40 PolarHBondContact O-N 3.37Å; H37-I41 VanDerWaalsContact NE2-CD1 3.28Å; H37-I41 WeakPolarHBondContact NE2-CD1 3.12Å; H37-I41 WeakPolarHBondContact O-CG1 3.13Å; H37-I41 PolarHBondContact O-N 3.36Å |
| 38 | Y | 87 | Confident | 80.7 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 38% | 0.376 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 174.8 | -65.2 | -66.3 | 0 | 0 | 0 | 112.4 | L23 L33 D35 T40 I41 S42 | L23-Y38 HydrophobicContact CD2-CE1 4.41Å; L33-Y38 HydrophobicContact CB-CE2 3.56Å; L33-Y38 WeakPolarHBondContact CB-OH 3.22Å; L33-Y38 WeakPolarHBondContact CD1-OH 3.35Å; D35-Y38 PolarHBondContact O-N 3.22Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; Y38-I41 PolarHBondContact O-N 3.13Å; Y38-S42 VanDerWaalsContact O-CB 3.32Å; Y38-S42 WeakPolarHBondContact O-CB 3.49Å; Y38-S42 PolarHBondContact O-N 3.41Å; Y38-S42 PolarHBondContact O-OG 2.9Å |
| 39 | R | 90.7 | Very high | 82.6 | Confident | 159 Ų | 159 | 80.8 Ų | 80.8 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 172 | -74.6 | 171.9 | 175.8 | 179.2 | -2.2 | 111.7 | D35 D36 H37 S42 L43 | D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; D35-R39 PolarHBondContact O-N 3.31Å; D36-R39 PolarHBondContact O-N 2.71Å; D36-R39 IonicContact OD1-NH1 3.24Å; D36-R39 PolarHBondContact OD1-NH1 2.83Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.92Å; R39-S42 WeakPolarHBondContact CA-OG 3.49Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-OG 3.3Å; R39-L43 VanDerWaalsContact O-CB 3.24Å; R39-L43 WeakPolarHBondContact O-CB 3.34Å; R39-L43 PolarHBondContact O-N 2.86Å |
| 40 | T | 89.1 | Confident | 84.4 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | D36 H37 Y38 L43 D44 | D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 PolarHBondContact O-N 3.49Å; D36-T40 PolarHBondContact O-OG1 3.43Å; H37-T40 PolarHBondContact O-N 3.37Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; T40-L43 PolarHBondContact O-N 3.2Å; T40-D44 PolarHBondContact O-N 3.29Å |
| 41 | I | 89.2 | Confident | 86.2 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.5 | -66.5 | 170.1 | 0 | 0 | 0 | 111.1 | H37 Y38 L43 D44 C45 | H37-I41 VanDerWaalsContact NE2-CD1 3.28Å; H37-I41 WeakPolarHBondContact NE2-CD1 3.12Å; H37-I41 WeakPolarHBondContact O-CG1 3.13Å; H37-I41 PolarHBondContact O-N 3.36Å; Y38-I41 PolarHBondContact O-N 3.13Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.38Å; I41-D44 PolarHBondContact O-N 3Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.45Å; I41-C45 VanDerWaalsContact O-SG 3.36Å |
| 42 | S | 90.8 | Very high | 87.9 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | Y38 R39 C45 T46 | Y38-S42 VanDerWaalsContact O-CB 3.32Å; Y38-S42 WeakPolarHBondContact O-CB 3.49Å; Y38-S42 PolarHBondContact O-N 3.41Å; Y38-S42 PolarHBondContact O-OG 2.9Å; R39-S42 WeakPolarHBondContact CA-OG 3.49Å; R39-S42 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-OG 3.3Å; S42-C45 PolarHBondContact O-N 3.46Å; S42-T46 WeakPolarHBondContact O-CB 3.21Å; S42-T46 WeakPolarHBondContact O-CG2 3.09Å; S42-T46 PolarHBondContact O-N 2.87Å; S42-T46 PolarHBondContact O-OG1 3.49Å |
| 43 | L | 92.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 76 Ų | 76 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -49.4 | 173.3 | -167.7 | 165.6 | 0 | 0 | 0 | 110.9 | R39 T40 I41 C45 T46 Y47 | R39-L43 VanDerWaalsContact O-CB 3.24Å; R39-L43 WeakPolarHBondContact O-CB 3.34Å; R39-L43 PolarHBondContact O-N 2.86Å; T40-L43 PolarHBondContact O-N 3.2Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.38Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.47Å; L43-T46 WeakPolarHBondContact CA-OG1 3.4Å; L43-T46 PolarHBondContact O-N 3.2Å; L43-T46 PolarHBondContact O-OG1 3.31Å; L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.23Å; L43-Y47 PolarHBondContact O-N 2.9Å |
| 44 | D | 91.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 80.6 Ų | 80.6 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 177.3 | -82.7 | -1.1 | 0 | 0 | 0 | 112.1 | T40 I41 H48 | T40-D44 PolarHBondContact O-N 3.29Å; I41-D44 PolarHBondContact O-N 3Å; D44-H48 WeakPolarHBondContact O-CB 3.4Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 VanDerWaalsContact O-N 3.07Å |
| 45 | C | 92.9 | Very high | 91.5 | Very high | 16 Ų | 16 | 81.7 Ų | 81.7 | 11% | 0.108 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 178.5 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | I17 I41 S42 L43 H48 F49 | I17-C45 HydrophobicContact CD1-CB 4.11Å; I17-C45 VanDerWaalsContact CD1-O 3.3Å; I17-C45 WeakPolarHBondContact CD1-O 3.46Å; I17-C45 HydrophobicContact CG2-CB 4.28Å; I41-C45 PolarHBondContact O-N 3.39Å; I41-C45 PolarHBondContact O-SG 3.45Å; I41-C45 VanDerWaalsContact O-SG 3.36Å; S42-C45 PolarHBondContact O-N 3.46Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.47Å; C45-H48 PolarHBondContact O-N 2.95Å; C45-F49 WeakPolarHBondContact O-CB 3.36Å; C45-F49 PolarHBondContact O-N 3.38Å |
| 46 | T | 94.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 77.3 Ų | 77.3 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 178.9 | 52.1 | 0 | 0 | 0 | 0 | 112 | S42 L43 F49 F50 | S42-T46 WeakPolarHBondContact O-CB 3.21Å; S42-T46 WeakPolarHBondContact O-CG2 3.09Å; S42-T46 PolarHBondContact O-N 2.87Å; S42-T46 PolarHBondContact O-OG1 3.49Å; L43-T46 WeakPolarHBondContact CA-OG1 3.4Å; L43-T46 PolarHBondContact O-N 3.2Å; L43-T46 PolarHBondContact O-OG1 3.31Å; T46-F49 PolarHBondContact O-N 3.34Å; T46-F50 VanDerWaalsContact O-CD2 3.23Å; T46-F50 WeakPolarHBondContact O-CD2 3.38Å; T46-F50 PolarHBondContact O-N 3.21Å |
| 47 | Y | 93.7 | Very high | 92.3 | Very high | 168 Ų | 168 | 76.3 Ų | 76.3 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.3 | -46.7 | 174.1 | 179.5 | -96.6 | 0 | 0 | 0 | 111.4 | L43 F49 F50 K51 | L43-Y47 VanDerWaalsContact O-CB 3.28Å; L43-Y47 WeakPolarHBondContact O-CB 3.23Å; L43-Y47 PolarHBondContact O-N 2.9Å; Y47-F49 PolarHBondContact O-N 3.46Å; Y47-F50 PolarHBondContact O-N 3.01Å; Y47-K51 WeakPolarHBondContact O-CB 3.43Å; Y47-K51 PolarHBondContact O-N 3.17Å |
| 48 | H | 93.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 77.8 Ų | 77.8 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.3 | -175.9 | 56 | 0 | 0 | 0 | 112.3 | S5 I17 D44 C45 K51 L52 | S5-H48 PolarHBondContact O-NE2 2.82Å; I17-H48 HydrophobicContact CD1-CB 4.46Å; D44-H48 WeakPolarHBondContact O-CB 3.4Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 VanDerWaalsContact O-N 3.07Å; C45-H48 PolarHBondContact O-N 2.95Å; H48-K51 PolarHBondContact O-N 3.28Å; H48-L52 PolarHBondContact O-N 2.88Å |
| 49 | F | 95 | Very high | 93 | Very high | 21 Ų | 21 | 78 Ų | 78 | 9% | 0.092 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -51.3 | 176 | 174.7 | -94.3 | 0 | 0 | 0 | 112.1 | V10 L12 L15 I17 C45 T46 Y47 K51 L52 F53 | V10-F49 HydrophobicContact CG1-CD2 4.1Å; L12-F49 HydrophobicContact CD2-CD2 4.2Å; L12-F49 HydrophobicContact CD2-CE2 3.86Å; L12-F49 HydrophobicContact CD2-CZ 4.48Å; L15-F49 HydrophobicContact CB-CE2 4.43Å; L15-F49 HydrophobicContact CB-CZ 3.87Å; L15-F49 HydrophobicContact CD2-CZ 3.8Å; L15-F49 HydrophobicContact CG-CZ 4.45Å; I17-F49 HydrophobicContact CB-CD2 4.49Å; I17-F49 HydrophobicContact CD1-CB 4.3Å; C45-F49 WeakPolarHBondContact O-CB 3.36Å; C45-F49 PolarHBondContact O-N 3.38Å; T46-F49 PolarHBondContact O-N 3.34Å; Y47-F49 PolarHBondContact O-N 3.46Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 2.82Å; F49-L52 PolarHBondContact O-N 2.88Å; F49-F53 HydrophobicContact CE1-CB 4.31Å; F49-F53 HydrophobicContact CE1-CD2 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.48Å; F49-F53 HydrophobicContact CZ-CD2 4.23Å; F49-F53 WeakPolarHBondContact O-CB 3.31Å; F49-F53 PolarHBondContact O-N 2.96Å |
| 50 | F | 95 | Very high | 93.1 | Very high | 98 Ų | 98 | 76.5 Ų | 76.5 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.9 | -33.6 | -178.9 | -82.2 | -62.3 | 0 | 0 | 0 | 112.7 | T46 Y47 L52 F53 F54 | T46-F50 VanDerWaalsContact O-CD2 3.23Å; T46-F50 WeakPolarHBondContact O-CD2 3.38Å; T46-F50 PolarHBondContact O-N 3.21Å; Y47-F50 PolarHBondContact O-N 3.01Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.86Å; F50-F53 HydrophobicContact CD1-CD1 4.44Å; F50-F53 PolarHBondContact O-N 2.8Å; F50-F54 HydrophobicContact CB-CD2 4.16Å; F50-F54 HydrophobicContact CB-CE2 3.95Å; F50-F54 AromaticContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CZ 4.06Å; F50-F54 HydrophobicContact CG-CE2 4.2Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.24Å; F50-F54 WeakPolarHBondContact O-CG 3.32Å; F50-F54 PolarHBondContact O-N 3.19Å |
| 51 | K | 94.3 | Very high | 93 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.5 | -50.7 | 172.2 | -177.8 | -176.9 | 174.9 | -175.8 | 0 | 111 | Y47 H48 F49 E55 | Y47-K51 WeakPolarHBondContact O-CB 3.43Å; Y47-K51 PolarHBondContact O-N 3.17Å; H48-K51 PolarHBondContact O-N 3.28Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 2.82Å; K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.93Å |
| 52 | L | 93.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 83.3 Ų | 83.3 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 178.7 | -65.6 | 174.1 | 0 | 0 | 0 | 112.5 | V10 L12 H48 F49 F50 E55 | V10-L52 HydrophobicContact CB-CD1 4.11Å; V10-L52 HydrophobicContact CG1-CD1 4.05Å; V10-L52 HydrophobicContact CG2-CD1 3.83Å; L12-L52 HydrophobicContact CD1-CB 4.4Å; L12-L52 HydrophobicContact CD2-CB 4.2Å; H48-L52 PolarHBondContact O-N 2.88Å; F49-L52 PolarHBondContact O-N 2.88Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-L52 PolarHBondContact O-N 2.86Å; L52-E55 PolarHBondContact O-N 3.46Å |
| 53 | F | 94.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 86 Ų | 86 | 17% | 0.171 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 178 | -178.4 | -91.7 | 0 | 0 | 0 | 112.2 | L15 F49 F50 E55 L56 L69 | L15-F53 HydrophobicContact CD2-CD2 4.04Å; L15-F53 HydrophobicContact CD2-CE2 3.7Å; F49-F53 HydrophobicContact CE1-CB 4.31Å; F49-F53 HydrophobicContact CE1-CD2 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.48Å; F49-F53 HydrophobicContact CZ-CD2 4.23Å; F49-F53 WeakPolarHBondContact O-CB 3.31Å; F49-F53 PolarHBondContact O-N 2.96Å; F50-F53 HydrophobicContact CD1-CD1 4.44Å; F50-F53 PolarHBondContact O-N 2.8Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.24Å; F53-L56 HydrophobicContact CD2-CD1 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.31Å; F53-L56 WeakPolarHBondContact O-CG 3.16Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-L56 VanDerWaalsContact O-N 3.13Å; F53-L69 HydrophobicContact CD2-CD2 4.35Å; F53-L69 HydrophobicContact CE2-CD2 3.69Å |
| 54 | F | 93.5 | Very high | 92.5 | Very high | 152 Ų | 152 | 85 Ų | 85 | 67% | 0.667 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.1 | -12.5 | 179 | -68.6 | -52.8 | 0 | 0 | 0 | 113.8 | F50 | F50-F54 HydrophobicContact CB-CD2 4.16Å; F50-F54 HydrophobicContact CB-CE2 3.95Å; F50-F54 AromaticContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CE2 3.83Å; F50-F54 HydrophobicContact CD1-CZ 4.06Å; F50-F54 HydrophobicContact CG-CE2 4.2Å; F50-F54 WeakPolarHBondContact O-CB 3.2Å; F50-F54 WeakPolarHBondContact O-CD2 3.24Å; F50-F54 WeakPolarHBondContact O-CG 3.32Å; F50-F54 PolarHBondContact O-N 3.19Å |
| 55 | E | 94.1 | Very high | 92.5 | Very high | 129 Ų | 129 | 86 Ų | 86 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.9 | 167.6 | -72.7 | 170.1 | -170.5 | 0 | 0 | 112.3 | K51 L52 F53 | K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.93Å; L52-E55 PolarHBondContact O-N 3.46Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.24Å |
| 56 | L | 94 | Very high | 92.5 | Very high | 27 Ų | 27 | 88.5 Ų | 88.5 | 14% | 0.141 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -69.8 | 146.8 | 179 | -66.4 | 174.7 | 0 | 0 | 0 | 112.6 | L12 F53 T58 L69 | L12-L56 HydrophobicContact CB-CD1 4.46Å; L12-L56 HydrophobicContact CD1-CD1 4.15Å; L12-L56 HydrophobicContact CD1-CD2 3.88Å; L12-L56 HydrophobicContact CD1-CG 4.17Å; F53-L56 HydrophobicContact CD2-CD1 4.16Å; F53-L56 WeakPolarHBondContact O-CB 3.31Å; F53-L56 WeakPolarHBondContact O-CG 3.16Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-L56 VanDerWaalsContact O-N 3.13Å; L56-T58 PolarHBondContact O-N 2.92Å; L56-T58 PolarHBondContact O-OG1 3.38Å; L56-L69 HydrophobicContact CD1-CD2 3.92Å |
| 57 | P | 94.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 86.7 Ų | 86.7 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | trans | -61.2 | 132.3 | 175.5 | 24.4 | -31.2 | 0 | 0 | 0 | 110.6 | I68 | P57-I68 HydrophobicContact CB-CD1 4.24Å; P57-I68 HydrophobicContact CG-CB 4.2Å; P57-I68 HydrophobicContact CG-CD1 4.2Å; P57-I68 PolarHBondContact O-N 3.27Å | ||
| 58 | T | 92.4 | Very high | 92.5 | Very high | 78 Ų | 78 | 82.2 Ų | 82.2 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128 | -178.8 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | L56 V66 | L56-T58 PolarHBondContact O-N 2.92Å; L56-T58 PolarHBondContact O-OG1 3.38Å; T58-V66 WeakPolarHBondContact CA-O 3.27Å |
| 59 | E | 93 | Very high | 92.5 | Very high | 102 Ų | 102 | 84.6 Ų | 84.6 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 144.1 | 174.5 | -70.3 | -179.6 | 171.5 | 0 | 0 | 109.9 | V66 I68 | E59-V66 PolarHBondContact N-O 2.98Å; E59-V66 PolarHBondContact O-N 3.48Å; E59-I68 HydrophobicContact CG-CD1 3.78Å; E59-I68 HydrophobicContact CG-CG1 4.03Å; E59-I68 VanDerWaalsContact OE1-CD1 3.27Å; E59-I68 WeakPolarHBondContact OE1-CD1 3.33Å |
| 60 | L | 93 | Very high | 92.5 | Very high | 126 Ų | 126 | 86.4 Ų | 86.4 | 66% | 0.66 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 104.7 | 177.4 | -156.3 | 163.5 | 0 | 0 | 0 | 108.2 | ||
| 61 | N | 87.8 | Confident | 92.5 | Very high | 84 Ų | 84 | 90.8 Ų | 90.8 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.1 | -178.4 | -69.1 | -30.8 | 0 | 0 | 0 | 108.9 | S63 V64 | N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.06Å; N61-V64 PolarHBondContact N-O 3.36Å; N61-V64 WeakPolarHBondContact O-CA 3.47Å; N61-V64 PolarHBondContact O-N 3.17Å; N61-V64 VanDerWaalsContact O-O 3.07Å |
| 62 | D | 84.8 | Confident | 92.5 | Very high | 159 Ų | 159 | 90 Ų | 90 | 85% | 0.85 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 49.2 | 176.6 | -63.1 | -20.7 | 0 | 0 | 0 | 114.2 | V64 | D62-V64 PolarHBondContact O-N 3.27Š|
| 63 | S | 86.9 | Confident | 92.5 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 4.1 | -176.2 | 71 | 0 | 0 | 0 | 0 | 116.8 | N61 | N61-S63 VanDerWaalsContact C-N 3.32Å; N61-S63 PolarHBondContact O-N 3.06Å |
| 64 | V | 91.2 | Very high | 92.4 | Very high | 87 Ų | 87 | 95.2 Ų | 95.2 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.6 | 176 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | N61 D62 V66 | N61-V64 PolarHBondContact N-O 3.36Å; N61-V64 WeakPolarHBondContact O-CA 3.47Å; N61-V64 PolarHBondContact O-N 3.17Å; N61-V64 VanDerWaalsContact O-O 3.07Å; D62-V64 PolarHBondContact O-N 3.27Å; V64-V66 HydrophobicContact CG1-CG2 4.15Å |
| 65 | S | 90.8 | Very high | 92.3 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.8 | 172 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 66 | V | 93.1 | Very high | 92.2 | Very high | 70 Ų | 70 | 98.8 Ų | 98.8 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.7 | -177.7 | -177 | 0 | 0 | 0 | 0 | 109 | T58 E59 V64 | T58-V66 WeakPolarHBondContact CA-O 3.27Å; E59-V66 PolarHBondContact N-O 2.98Å; E59-V66 PolarHBondContact O-N 3.48Å; V64-V66 HydrophobicContact CG1-CG2 4.15Å |
| 67 | S | 92.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 103.2 Ų | 103.2 | 21% | 0.21 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 132 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | L69 | S67-L69 PolarHBondContact O-N 3.16Å |
| 68 | I | 94.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 106.8 Ų | 106.8 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | trans | -80.2 | 110.2 | 176.7 | -48.9 | 173.8 | 0 | 0 | 0 | 108.6 | P57 E59 | P57-I68 HydrophobicContact CB-CD1 4.24Å; P57-I68 HydrophobicContact CG-CB 4.2Å; P57-I68 HydrophobicContact CG-CD1 4.2Å; P57-I68 PolarHBondContact O-N 3.27Å; E59-I68 HydrophobicContact CG-CD1 3.78Å; E59-I68 HydrophobicContact CG-CG1 4.03Å; E59-I68 VanDerWaalsContact OE1-CD1 3.27Å; E59-I68 WeakPolarHBondContact OE1-CD1 3.33Å | ||
| 69 | L | 94.6 | Very high | 92.5 | Very high | 76 Ų | 76 | 111.2 Ų | 111.2 | 40% | 0.398 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 140.1 | 178.4 | -58.1 | -178.3 | 0 | 0 | 0 | 111.8 | L15 F53 L56 S67 | L15-L69 HydrophobicContact CD2-CD1 4.26Å; L15-L69 HydrophobicContact CD2-CD2 4.17Å; F53-L69 HydrophobicContact CD2-CD2 4.35Å; F53-L69 HydrophobicContact CE2-CD2 3.69Å; L56-L69 HydrophobicContact CD1-CD2 3.92Å; S67-L69 PolarHBondContact O-N 3.16Å |
| 70 | P | 94.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 113.1 Ų | 113.1 | 38% | 0.383 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 167.3 | 171.7 | 30.4 | -34.2 | 0 | 0 | 0 | 111.3 | L12 G13 | L12-P70 HydrophobicContact CB-CG 3.7Å; G13-P70 WeakPolarHBondContact CA-O 3.46Å |
| 71 | K | 95 | Very high | 92.6 | Very high | 190 Ų | 190 | 115.8 Ų | 115.8 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135.4 | 174 | -68 | 177.9 | -177.7 | 171.3 | 0 | 109.6 | T73 | K71-T73 PolarHBondContact O-N 3.42Š|
| 72 | P | 94.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 117.5 Ų | 117.5 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 134.7 | -179.4 | 23.8 | -33.4 | 0 | 0 | 0 | 111.5 | D11 N14 | D11-P72 WeakPolarHBondContact OD1-CA 3.43Å; N14-P72 VanDerWaalsContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact ND2-CB 3.33Å; N14-P72 WeakPolarHBondContact OD1-CB 3.26Å |
| 73 | T | 93.2 | Very high | 93.1 | Very high | 101 Ų | 101 | 115.1 Ų | 115.1 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | trans | -87.1 | -33.3 | 179.5 | 58 | 0 | 0 | 0 | 0 | 111.8 | D11 K71 R75 | D11-T73 VanDerWaalsContact CB-OG1 3.31Å; D11-T73 WeakPolarHBondContact CB-OG1 3.36Å; D11-T73 PolarHBondContact OD1-N 2.88Å; D11-T73 PolarHBondContact OD1-OG1 2.94Å; D11-T73 PolarHBondContact OD2-N 3.33Å; D11-T73 PolarHBondContact OD2-OG1 3.28Å; K71-T73 PolarHBondContact O-N 3.42Å; T73-R75 PolarHBondContact O-N 3.07Å | ||
| 74 | F | 91.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 114.1 Ų | 114.1 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -69.7 | 116.7 | -179.8 | -166.3 | -102.6 | 0 | 0 | 0 | 111.4 | D11 L76 | D11-F74 VanDerWaalsContact OD2-CB 3.26Å; D11-F74 WeakPolarHBondContact OD2-CB 3.46Å; D11-F74 PolarHBondContact OD2-N 3.24Å; F74-L76 HydrophobicContact CD1-CD2 3.58Å; F74-L76 HydrophobicContact CD1-CG 3.96Å; F74-L76 HydrophobicContact CE1-CD2 3.48Å; F74-L76 VanDerWaalsContact CE1-CD2 3.48Å; F74-L76 HydrophobicContact CE1-CG 4.35Å; F74-L76 PolarHBondContact O-N 2.91Å |
| 75 | R | 92.2 | Very high | 93.1 | Very high | 238 Ų | 238 | 114.6 Ų | 114.6 | 90% | 0.898 | 60% | 0.601 | S | S | * | * | trans | -82.9 | 100 | -175.5 | -68.3 | -172 | 178.7 | -175.3 | 1.6 | 111.4 | T73 | T73-R75 PolarHBondContact O-N 3.07Š| ||
| 76 | L | 91.9 | Very high | 92.9 | Very high | 118 Ų | 118 | 120.2 Ų | 120.2 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 144 | 172.6 | -64.7 | 173.8 | 0 | 0 | 0 | 112.3 | F74 | F74-L76 HydrophobicContact CD1-CD2 3.58Å; F74-L76 HydrophobicContact CD1-CG 3.96Å; F74-L76 HydrophobicContact CE1-CD2 3.48Å; F74-L76 VanDerWaalsContact CE1-CD2 3.48Å; F74-L76 HydrophobicContact CE1-CG 4.35Å; F74-L76 PolarHBondContact O-N 2.91Å |
| 77 | P | 95.9 | Very high | 92.6 | Very high | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 140 | 172.4 | 28.4 | -33.9 | 0 | 0 | 0 | 110.4 | ||
| 78 | R | 96 | Very high | 92.5 | Very high | 157 Ų | 157 | 124.1 Ų | 124.1 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.3 | 176.4 | -70.5 | 173.2 | 50.1 | 140 | 5.2 | 111.2 | K80 | R78-K80 VanDerWaalsContact C-N 3.34Å; R78-K80 PolarHBondContact NE-O 3.22Å; R78-K80 VanDerWaalsContact NE-O 3.1Å; R78-K80 PolarHBondContact NH2-O 2.74Å; R78-K80 PolarHBondContact O-N 3.37Å |
| 79 | E | 95.2 | Very high | 92.4 | Very high | 171 Ų | 171 | 123 Ų | 123 | 80% | 0.799 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -59.6 | -43.4 | 172.5 | -172.2 | -157.1 | 148.9 | 0 | 0 | 112.1 | ||
| 80 | K | 94.7 | Very high | 92.3 | Very high | 143 Ų | 143 | 126.4 Ų | 126.4 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -122.1 | 142 | -176.5 | -66.7 | 173.2 | -175.9 | 151.8 | 0 | 110.8 | R78 | R78-K80 VanDerWaalsContact C-N 3.34Å; R78-K80 PolarHBondContact NE-O 3.22Å; R78-K80 VanDerWaalsContact NE-O 3.1Å; R78-K80 PolarHBondContact NH2-O 2.74Å; R78-K80 PolarHBondContact O-N 3.37Å |
| 81 | K | 93.1 | Very high | 92.1 | Very high | 181 Ų | 181 | 130.5 Ų | 130.5 | 79% | 0.787 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 151.3 | 170.6 | 67.5 | 179.2 | -178 | 179 | 0 | 110.9 | ||
| 82 | I | 92.2 | Very high | 92.1 | Very high | 120 Ų | 120 | 124.2 Ų | 124.2 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.7 | 171.5 | -63.9 | 158.4 | 0 | 0 | 0 | 108.3 | S84 | I82-S84 PolarHBondContact O-N 3.32Å; I82-S84 VanDerWaalsContact O-N 3.11Å |
| 83 | P | 91.9 | Very high | 92 | Very high | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.3 | 172.3 | -25 | 34 | 0 | 0 | 0 | 110 | ||
| 84 | S | 88.3 | Confident | 92.1 | Very high | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.6 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | I82 K86 | I82-S84 PolarHBondContact O-N 3.32Å; I82-S84 VanDerWaalsContact O-N 3.11Å; S84-K86 PolarHBondContact O-N 3.3Å |
| 85 | A | 89.6 | Confident | 92.2 | Very high | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E87 | A85-E87 PolarHBondContact O-N 3.41Š|
| 86 | K | 86.7 | Confident | 92.3 | Very high | 203 Ų | 203 | 119.5 Ų | 119.5 | 88% | 0.883 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.7 | 178.9 | -65.8 | 179.7 | -178 | 176.1 | 0 | 108.8 | S84 | S84-K86 PolarHBondContact O-N 3.3Š|
| 87 | E | 86.7 | Confident | 92.6 | Very high | 104 Ų | 104 | 121 Ų | 121 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 139.9 | 171.2 | -64.2 | -176.3 | -178.5 | 0 | 0 | 110.3 | A85 T89 T173 | A85-E87 PolarHBondContact O-N 3.41Å; E87-T89 PolarHBondContact O-N 3.42Å; E87-T173 HydrophobicContact CB-CG2 3.96Å; E87-T173 HydrophobicContact CG-CG2 4.46Å |
| 88 | L | 90.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 122.3 Ų | 122.3 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 127.2 | 178 | -66.4 | 164.8 | 0 | 0 | 0 | 110 | D92 R93 | L88-D92 HydrophobicContact CB-CB 4.25Å; L88-D92 HydrophobicContact CD2-CB 3.92Å; L88-R93 HydrophobicContact CB-CG 3.65Å; L88-R93 HydrophobicContact CD1-CG 4.46Å; L88-R93 PolarHBondContact O-NE 3.17Å |
| 89 | T | 92.2 | Very high | 92.5 | Very high | 49 Ų | 49 | 117.5 Ų | 117.5 | 30% | 0.301 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 164.1 | 173.1 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | E87 W91 D92 R93 | E87-T89 PolarHBondContact O-N 3.42Å; T89-W91 PolarHBondContact O-N 3.05Å; T89-D92 WeakPolarHBondContact CB-OD2 3.49Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.48Å; T89-D92 PolarHBondContact N-OD2 3.11Å; T89-D92 PolarHBondContact O-N 3.38Å; T89-D92 VanDerWaalsContact O-N 3.11Å; T89-D92 PolarHBondContact OG1-N 3.1Å; T89-D92 VanDerWaalsContact OG1-N 3.16Å; T89-D92 PolarHBondContact OG1-OD2 2.84Å; T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 2.8Å |
| 90 | R | 90.4 | Very high | 92.5 | Very high | 149 Ų | 149 | 113 Ų | 113 | 56% | 0.562 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -54 | -40.1 | 176.6 | -164.7 | -178.4 | -178.9 | 157.8 | 0.7 | 112 | F94 N169 E187 | R90-F94 PolarHBondContact O-N 3.44Å; R90-F94 VanDerWaalsContact O-N 3.11Å; R90-N169 PolarHBondContact N-OD1 3.26Å; R90-E187 IonicContact NH1-OE1 2.79Å |
| 91 | W | 92.5 | Very high | 92.4 | Very high | 144 Ų | 144 | 113.3 Ų | 113.3 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.5 | -43.9 | 178.3 | 178.3 | -104.6 | 0 | 0 | 0 | 111.5 | T89 R93 F94 A95 I100 | T89-W91 PolarHBondContact O-N 3.05Å; W91-R93 VanDerWaalsContact C-N 3.31Å; W91-R93 PolarHBondContact O-N 3.1Å; W91-F94 AromaticContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CH2-CD1 4.17Å; W91-F94 HydrophobicContact CH2-CE1 4.21Å; W91-F94 AromaticContact CZ3-CD1 3.64Å; W91-F94 HydrophobicContact CZ3-CD1 3.64Å; W91-F94 AromaticContact CZ3-CE1 3.88Å; W91-F94 HydrophobicContact CZ3-CE1 3.88Å; W91-F94 CarbonylContact O-C 3.51Å; W91-F94 WeakPolarHBondContact O-CB 3.24Å; W91-F94 PolarHBondContact O-N 3.13Å; W91-F94 VanDerWaalsContact O-N 3.11Å; W91-A95 WeakPolarHBondContact O-CB 3.32Å; W91-A95 PolarHBondContact O-N 2.89Å; W91-I100 HydrophobicContact CH2-CD1 4.45Å |
| 92 | D | 93.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 111.1 Ų | 111.1 | 31% | 0.31 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -37.7 | 179.1 | -57.5 | -42 | 0 | 0 | 0 | 111.8 | L88 T89 F94 A95 R96 | L88-D92 HydrophobicContact CB-CB 4.25Å; L88-D92 HydrophobicContact CD2-CB 3.92Å; T89-D92 WeakPolarHBondContact CB-OD2 3.49Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.48Å; T89-D92 PolarHBondContact N-OD2 3.11Å; T89-D92 PolarHBondContact O-N 3.38Å; T89-D92 VanDerWaalsContact O-N 3.11Å; T89-D92 PolarHBondContact OG1-N 3.1Å; T89-D92 VanDerWaalsContact OG1-N 3.16Å; T89-D92 PolarHBondContact OG1-OD2 2.84Å; D92-F94 VanDerWaalsContact C-N 3.34Å; D92-A95 PolarHBondContact O-N 3Å; D92-R96 VanDerWaalsContact O-CB 3.29Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.24Å |
| 93 | R | 93.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 115.2 Ų | 115.2 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 171.9 | -66.6 | 178.7 | -164.7 | -162.4 | -1 | 110.8 | L88 T89 W91 L97 | L88-R93 HydrophobicContact CB-CG 3.65Å; L88-R93 HydrophobicContact CD1-CG 4.46Å; L88-R93 PolarHBondContact O-NE 3.17Å; T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 2.8Å; W91-R93 VanDerWaalsContact C-N 3.31Å; W91-R93 PolarHBondContact O-N 3.1Å; R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.28Å; R93-L97 PolarHBondContact O-N 3.44Å |
| 94 | F | 95.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 120.2 Ų | 120.2 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 177.8 | 176.5 | -98.1 | 0 | 0 | 0 | 112.4 | R90 W91 D92 R96 L97 K98 I100 | R90-F94 PolarHBondContact O-N 3.44Å; R90-F94 VanDerWaalsContact O-N 3.11Å; W91-F94 AromaticContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CE3-CD1 3.95Å; W91-F94 HydrophobicContact CH2-CD1 4.17Å; W91-F94 HydrophobicContact CH2-CE1 4.21Å; W91-F94 AromaticContact CZ3-CD1 3.64Å; W91-F94 HydrophobicContact CZ3-CD1 3.64Å; W91-F94 AromaticContact CZ3-CE1 3.88Å; W91-F94 HydrophobicContact CZ3-CE1 3.88Å; W91-F94 CarbonylContact O-C 3.51Å; W91-F94 WeakPolarHBondContact O-CB 3.24Å; W91-F94 PolarHBondContact O-N 3.13Å; W91-F94 VanDerWaalsContact O-N 3.11Å; D92-F94 VanDerWaalsContact C-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 3.3Å; F94-L97 PolarHBondContact O-N 2.97Å; F94-K98 HydrophobicContact CD2-CG 4.31Å; F94-K98 HydrophobicContact CE1-CG 4.1Å; F94-K98 HydrophobicContact CE2-CG 3.84Å; F94-K98 HydrophobicContact CZ-CG 3.73Å; F94-K98 WeakPolarHBondContact O-CB 3.48Å; F94-K98 PolarHBondContact O-N 2.91Å; F94-I100 HydrophobicContact CD1-CD1 4.31Å; F94-I100 HydrophobicContact CE1-CD1 3.94Å |
| 95 | A | 95.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 123.5 Ų | 123.5 | 6% | 0.058 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W91 D92 K98 G99 I100 | W91-A95 WeakPolarHBondContact O-CB 3.32Å; W91-A95 PolarHBondContact O-N 2.89Å; D92-A95 PolarHBondContact O-N 3Å; A95-K98 PolarHBondContact O-N 2.86Å; A95-G99 PolarHBondContact O-N 3.21Å; A95-I100 HydrophobicContact CB-CB 4.15Å; A95-I100 PolarHBondContact O-N 2.95Å |
| 96 | R | 94.4 | Very high | 92.7 | Very high | 193 Ų | 193 | 122.5 Ų | 122.5 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63 | -46.3 | 173.6 | -176.4 | 176.6 | 176.7 | 171.7 | -0.4 | 112 | D92 F94 K98 G99 | D92-R96 VanDerWaalsContact O-CB 3.29Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 PolarHBondContact O-N 3.24Å; F94-R96 VanDerWaalsContact C-N 3.33Å; F94-R96 PolarHBondContact O-N 3.3Å; R96-K98 VanDerWaalsContact C-N 3.28Å; R96-K98 PolarHBondContact O-N 3.15Å; R96-G99 PolarHBondContact O-N 3.21Å |
| 97 | L | 96.2 | Very high | 93 | Very high | 149 Ų | 149 | 120.3 Ų | 120.3 | 78% | 0.78 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63 | -34.1 | 178.4 | -75 | 171.3 | 0 | 0 | 0 | 112.8 | R93 F94 | R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 VanDerWaalsContact O-CG 3.28Å; R93-L97 WeakPolarHBondContact O-CG 3.28Å; R93-L97 PolarHBondContact O-N 3.44Å; F94-L97 PolarHBondContact O-N 2.97Å |
| 98 | K | 96.6 | Very high | 93.4 | Very high | 147 Ų | 147 | 120.1 Ų | 120.1 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -90.8 | -3.9 | 179 | -70.4 | -62.8 | -173.1 | -178.8 | 0 | 114.2 | F94 A95 R96 I100 | F94-K98 HydrophobicContact CD2-CG 4.31Å; F94-K98 HydrophobicContact CE1-CG 4.1Å; F94-K98 HydrophobicContact CE2-CG 3.84Å; F94-K98 HydrophobicContact CZ-CG 3.73Å; F94-K98 WeakPolarHBondContact O-CB 3.48Å; F94-K98 PolarHBondContact O-N 2.91Å; A95-K98 PolarHBondContact O-N 2.86Å; R96-K98 VanDerWaalsContact C-N 3.28Å; R96-K98 PolarHBondContact O-N 3.15Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 4Å; K98-I100 HydrophobicContact CB-CG1 3.82Å; K98-I100 PolarHBondContact O-N 3.24Å |
| 99 | G | 94.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 118.1 Ų | 118.1 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 26 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | A95 R96 Q101 | A95-G99 PolarHBondContact O-N 3.21Å; R96-G99 PolarHBondContact O-N 3.21Å; G99-Q101 PolarHBondContact O-N 3.28Å |
| 100 | I | 94.3 | Very high | 93.7 | Very high | 76 Ų | 76 | 121.5 Ų | 121.5 | 39% | 0.39 | 55% | 0.549 | S | S | . | . | trans | -70.2 | 116 | -179.6 | -60.6 | 173.4 | 0 | 0 | 0 | 108.9 | W91 F94 A95 K98 | W91-I100 HydrophobicContact CH2-CD1 4.45Å; F94-I100 HydrophobicContact CD1-CD1 4.31Å; F94-I100 HydrophobicContact CE1-CD1 3.94Å; A95-I100 HydrophobicContact CB-CB 4.15Å; A95-I100 PolarHBondContact O-N 2.95Å; K98-I100 VanDerWaalsContact C-N 3.25Å; K98-I100 HydrophobicContact CB-CD1 4Å; K98-I100 HydrophobicContact CB-CG1 3.82Å; K98-I100 PolarHBondContact O-N 3.24Å | ||
| 101 | Q | 92.5 | Very high | 93.8 | Very high | 150 Ų | 150 | 115.2 Ų | 115.2 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | trans | -86.3 | 123.3 | 176.3 | -65.4 | -177.6 | -7.3 | 0 | 0 | 111 | G99 R103 | G99-Q101 PolarHBondContact O-N 3.28Å; Q101-R103 PolarHBondContact O-N 3.4Å | ||
| 102 | N | 90.5 | Very high | 93.8 | Very high | 136 Ų | 136 | 112.8 Ų | 112.8 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | trans | -74.3 | 109.6 | 175.9 | -74.7 | -20.7 | 0 | 0 | 0 | 110.6 | ||||
| 103 | R | 93.1 | Very high | 93.6 | Very high | 205 Ų | 205 | 116.3 Ų | 116.3 | 77% | 0.774 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 138.9 | 173.8 | -62.3 | -176.1 | -177.9 | -179.2 | 0.4 | 111 | Q101 K105 | Q101-R103 PolarHBondContact O-N 3.4Å; R103-K105 PolarHBondContact O-N 3.29Å |
| 104 | K | 92.9 | Very high | 93.4 | Very high | 215 Ų | 215 | 112.7 Ų | 112.7 | 94% | 0.935 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 128.5 | 172.9 | -67.6 | -175.3 | -179.6 | 178.4 | 0 | 109.1 | ||
| 105 | K | 92.4 | Very high | 93.3 | Very high | 164 Ų | 164 | 115.7 Ų | 115.7 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 142.3 | 173.4 | -62.6 | -176.3 | -178.8 | -176.8 | 0 | 109.2 | R103 | R103-K105 PolarHBondContact O-N 3.29Š|
| 106 | S | 93.3 | Very high | 93.2 | Very high | 77 Ų | 77 | 117.5 Ų | 117.5 | 54% | 0.538 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 150.4 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | K108 | S106-K108 PolarHBondContact OG-O 3.01Š|
| 107 | R | 93.7 | Very high | 93.2 | Very high | 156 Ų | 156 | 115.6 Ų | 115.6 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -70.3 | -37.5 | 175.9 | -176.4 | 171.5 | 66.2 | 89.2 | -6 | 112 | P119 R120 | R107-P119 CarbonylContact O-C 3.56Å; R107-P119 WeakPolarHBondContact O-CA 3.41Å; R107-R120 PolarHBondContact O-N 3.22Å |
| 108 | K | 94.3 | Very high | 93.1 | Very high | 101 Ų | 101 | 110.8 Ų | 110.8 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.1 | 178 | -62.8 | -173.2 | 178.6 | -173.5 | 0 | 110.7 | S106 W117 K118 | S106-K108 PolarHBondContact OG-O 3.01Å; K108-W117 HydrophobicContact CB-CB 4.25Å; K108-W117 HydrophobicContact CB-CE3 4Å; K108-W117 HydrophobicContact CD-CB 3.97Å; K108-K118 CarbonylContact C-O 3.58Å; K108-K118 VanDerWaalsContact CA-O 3.32Å; K108-K118 WeakPolarHBondContact CA-O 3.43Å |
| 109 | V | 95.1 | Very high | 93 | Very high | 34 Ų | 34 | 104.9 Ų | 104.9 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.6 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | D111 K118 R120 I126 | V109-D111 PolarHBondContact O-N 3.11Å; V109-K118 PolarHBondContact N-O 3.34Å; V109-K118 PolarHBondContact O-N 3.43Å; V109-R120 HydrophobicContact CG2-CB 4.05Å; V109-R120 HydrophobicContact CG2-CG 4.46Å; V109-R120 VanDerWaalsContact CG2-NH2 3.33Å; V109-I126 HydrophobicContact CB-CD1 4.44Å; V109-I126 HydrophobicContact CG1-CD1 4.07Å |
| 110 | W | 94.4 | Very high | 93 | Very high | 121 Ų | 121 | 107.7 Ų | 107.7 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 126 | 176.2 | -177.6 | -103.4 | 0 | 0 | 0 | 109.4 | E115 W117 | W110-E115 HydrophobicContact CH2-CB 4.34Å; W110-E115 WeakPolarHBondContact CH2-O 3.5Å; W110-E115 HydrophobicContact CZ2-CB 4.13Å; W110-W117 HydrophobicContact CB-CD2 4.44Å; W110-W117 HydrophobicContact CB-CE3 4.16Å; W110-W117 HydrophobicContact CB-CH2 4.08Å; W110-W117 HydrophobicContact CB-CZ2 4.35Å; W110-W117 HydrophobicContact CB-CZ3 3.99Å; W110-W117 AromaticContact CE3-CD1 3.64Å; W110-W117 AromaticContact CE3-CD2 3.93Å; W110-W117 HydrophobicContact CE3-CD2 3.93Å; W110-W117 AromaticContact CE3-CE2 3.67Å; W110-W117 AromaticContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CZ2 4.27Å; W110-W117 AromaticContact CE3-NE1 3.46Å; W110-W117 AromaticContact CZ3-CD1 3.71Å; W110-W117 HydrophobicContact CZ3-CG 4.37Å; W110-W117 AromaticContact CZ3-NE1 3.68Å; W110-W117 VanDerWaalsContact N-CE3 3.33Å; W110-W117 VanDerWaalsContact N-CZ3 3.34Å |
| 111 | D | 92.7 | Very high | 93 | Very high | 17 Ų | 17 | 112.7 Ų | 112.7 | 9% | 0.091 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.3 | 172 | 174.5 | 16.2 | 0 | 0 | 0 | 108.5 | V109 V113 S114 E115 S116 K118 I126 | V109-D111 PolarHBondContact O-N 3.11Å; D111-V113 PolarHBondContact O-N 2.99Å; D111-V113 PolarHBondContact OD1-N 3.39Å; D111-V113 VanDerWaalsContact OD1-N 3.14Å; D111-S114 WeakPolarHBondContact CB-OG 3.45Å; D111-S114 VanDerWaalsContact CG-OG 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.37Å; D111-S114 PolarHBondContact OD2-OG 3.32Å; D111-E115 PolarHBondContact O-N 3.41Å; D111-E115 VanDerWaalsContact O-N 3.09Å; D111-S116 PolarHBondContact N-O 3.38Å; D111-S116 PolarHBondContact O-N 3.08Å; D111-K118 HydrophobicContact CB-CB 4.48Å; D111-K118 HydrophobicContact CB-CD 4.03Å; D111-K118 HydrophobicContact CB-CG 4.26Å; D111-K118 WeakPolarHBondContact OD2-CD 3.47Å; D111-K118 WeakPolarHBondContact OD2-CE 3.36Å; D111-K118 IonicContact OD2-NZ 2.61Å; D111-K118 PolarHBondContact OD2-NZ 3.41Å; D111-I126 HydrophobicContact CB-CD1 3.94Å; D111-I126 HydrophobicContact CB-CG1 4.37Å |
| 112 | P | 92.8 | Very high | 93 | Very high | 92 Ų | 92 | 107.4 Ų | 107.4 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.3 | -177.4 | 28.4 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 113 | V | 89.3 | Confident | 93 | Very high | 133 Ų | 133 | 109.1 Ų | 109.1 | 81% | 0.806 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -39.6 | -176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | D111 | D111-V113 PolarHBondContact O-N 2.99Å; D111-V113 PolarHBondContact OD1-N 3.39Å; D111-V113 VanDerWaalsContact OD1-N 3.14Å |
| 114 | S | 88.3 | Confident | 92.8 | Very high | 47 Ų | 47 | 104.2 Ų | 104.2 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.7 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | D111 S116 K118 | D111-S114 WeakPolarHBondContact CB-OG 3.45Å; D111-S114 VanDerWaalsContact CG-OG 3.28Å; D111-S114 WeakPolarHBondContact OD2-CB 3.37Å; D111-S114 PolarHBondContact OD2-OG 3.32Å; S114-S116 WeakPolarHBondContact O-CB 3.35Å; S114-S116 PolarHBondContact O-N 3.01Å; S114-S116 VanDerWaalsContact O-N 3.08Å; S114-S116 PolarHBondContact OG-OG 3.18Å; S114-K118 WeakPolarHBondContact OG-CE 3.36Å; S114-K118 PolarHBondContact OG-NZ 2.92Å |
| 115 | E | 92.5 | Very high | 92.8 | Very high | 154 Ų | 154 | 96.5 Ų | 96.5 | 72% | 0.72 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 39.2 | -175.5 | -59.7 | -178.5 | 174 | 0 | 0 | 112.6 | W110 D111 | W110-E115 HydrophobicContact CH2-CB 4.34Å; W110-E115 WeakPolarHBondContact CH2-O 3.5Å; W110-E115 HydrophobicContact CZ2-CB 4.13Å; D111-E115 PolarHBondContact O-N 3.41Å; D111-E115 VanDerWaalsContact O-N 3.09Å |
| 116 | S | 93.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 90.2 Ų | 90.2 | 31% | 0.308 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.2 | -172.7 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | D111 S114 K118 | D111-S116 PolarHBondContact N-O 3.38Å; D111-S116 PolarHBondContact O-N 3.08Å; S114-S116 WeakPolarHBondContact O-CB 3.35Å; S114-S116 PolarHBondContact O-N 3.01Å; S114-S116 VanDerWaalsContact O-N 3.08Å; S114-S116 PolarHBondContact OG-OG 3.18Å; S116-K118 PolarHBondContact O-N 2.89Å |
| 117 | W | 93.8 | Very high | 92.3 | Very high | 153 Ų | 153 | 92.4 Ų | 92.4 | 58% | 0.58 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 95.6 | 176 | -75.1 | 99 | 0 | 0 | 0 | 111.2 | K108 W110 | K108-W117 HydrophobicContact CB-CB 4.25Å; K108-W117 HydrophobicContact CB-CE3 4Å; K108-W117 HydrophobicContact CD-CB 3.97Å; W110-W117 HydrophobicContact CB-CD2 4.44Å; W110-W117 HydrophobicContact CB-CE3 4.16Å; W110-W117 HydrophobicContact CB-CH2 4.08Å; W110-W117 HydrophobicContact CB-CZ2 4.35Å; W110-W117 HydrophobicContact CB-CZ3 3.99Å; W110-W117 AromaticContact CE3-CD1 3.64Å; W110-W117 AromaticContact CE3-CD2 3.93Å; W110-W117 HydrophobicContact CE3-CD2 3.93Å; W110-W117 AromaticContact CE3-CE2 3.67Å; W110-W117 AromaticContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CG 3.93Å; W110-W117 HydrophobicContact CE3-CZ2 4.27Å; W110-W117 AromaticContact CE3-NE1 3.46Å; W110-W117 AromaticContact CZ3-CD1 3.71Å; W110-W117 HydrophobicContact CZ3-CG 4.37Å; W110-W117 AromaticContact CZ3-NE1 3.68Å; W110-W117 VanDerWaalsContact N-CE3 3.33Å; W110-W117 VanDerWaalsContact N-CZ3 3.34Å |
| 118 | K | 94 | Very high | 92 | Very high | 48 Ų | 48 | 86.3 Ų | 86.3 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 148.7 | 176.3 | -70.6 | -174.7 | 178.5 | 163.1 | 0 | 112.6 | K108 V109 D111 S114 S116 I126 | K108-K118 CarbonylContact C-O 3.58Å; K108-K118 VanDerWaalsContact CA-O 3.32Å; K108-K118 WeakPolarHBondContact CA-O 3.43Å; V109-K118 PolarHBondContact N-O 3.34Å; V109-K118 PolarHBondContact O-N 3.43Å; D111-K118 HydrophobicContact CB-CB 4.48Å; D111-K118 HydrophobicContact CB-CD 4.03Å; D111-K118 HydrophobicContact CB-CG 4.26Å; D111-K118 WeakPolarHBondContact OD2-CD 3.47Å; D111-K118 WeakPolarHBondContact OD2-CE 3.36Å; D111-K118 IonicContact OD2-NZ 2.61Å; D111-K118 PolarHBondContact OD2-NZ 3.41Å; S114-K118 WeakPolarHBondContact OG-CE 3.36Å; S114-K118 PolarHBondContact OG-NZ 2.92Å; S116-K118 PolarHBondContact O-N 2.89Å; K118-I126 HydrophobicContact CB-CB 4.42Å |
| 119 | P | 95.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 83.3 Ų | 83.3 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 147.5 | 173.8 | 25.8 | -31.7 | 0 | 0 | 0 | 112 | R107 W121 K123 D124 R125 I126 | R107-P119 CarbonylContact O-C 3.56Å; R107-P119 WeakPolarHBondContact O-CA 3.41Å; P119-W121 VanDerWaalsContact C-N 3.31Å; P119-W121 PolarHBondContact O-N 2.89Å; P119-K123 VanDerWaalsContact CG-O 3.24Å; P119-K123 WeakPolarHBondContact CG-O 3.45Å; P119-D124 VanDerWaalsContact CD-O 3.3Å; P119-D124 WeakPolarHBondContact CD-O 3.47Å; P119-R125 CarbonylContact O-C 3.57Å; P119-R125 WeakPolarHBondContact O-CA 3.49Å; P119-R125 VanDerWaalsContact O-CB 3.28Å; P119-R125 WeakPolarHBondContact O-CB 3.32Å; P119-I126 PolarHBondContact O-N 3.44Å |
| 120 | R | 94.4 | Very high | 91.1 | Very high | 115 Ų | 115 | 90.3 Ų | 90.3 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -69.8 | -27.9 | 175.7 | -175.6 | 178.7 | -70.8 | -88.2 | 0.3 | 112.9 | R107 V109 | R107-R120 PolarHBondContact O-N 3.22Å; V109-R120 HydrophobicContact CG2-CB 4.05Å; V109-R120 HydrophobicContact CG2-CG 4.46Å; V109-R120 VanDerWaalsContact CG2-NH2 3.33Å |
| 121 | W | 92.6 | Very high | 90.7 | Very high | 181 Ų | 181 | 89.4 Ų | 89.4 | 69% | 0.686 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -151.9 | 157.3 | -179.8 | 61.9 | -85.3 | 0 | 0 | 0 | 109.8 | P119 | P119-W121 VanDerWaalsContact C-N 3.31Å; P119-W121 PolarHBondContact O-N 2.89Å |
| 122 | G | 92.6 | Very high | 90.4 | Very high | 40 Ų | 40 | 92.7 Ų | 92.7 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 105.1 | -156 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 123 | K | 91 | Very high | 90 | Very high | 172 Ų | 172 | 99.2 Ų | 99.2 | 75% | 0.748 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 141.5 | 174.2 | -165.5 | -167.8 | 169.2 | -173.4 | 0 | 109.7 | P119 R125 | P119-K123 VanDerWaalsContact CG-O 3.24Å; P119-K123 WeakPolarHBondContact CG-O 3.45Å; K123-R125 PolarHBondContact O-N 2.61Å |
| 124 | D | 89.5 | Confident | 89.9 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.1 | 175.9 | -46.3 | -34.2 | 0 | 0 | 0 | 113.3 | P119 | P119-D124 VanDerWaalsContact CD-O 3.3Å; P119-D124 WeakPolarHBondContact CD-O 3.47Å |
| 125 | R | 92.6 | Very high | 89.8 | Confident | 53 Ų | 53 | 96.7 Ų | 96.7 | 20% | 0.2 | 45% | 0.452 | C | S | . | . | trans | -73 | 160.1 | -177 | 69.5 | 162.8 | -171.8 | -99 | -14.8 | 112.3 | P119 K123 D128 | P119-R125 CarbonylContact O-C 3.57Å; P119-R125 WeakPolarHBondContact O-CA 3.49Å; P119-R125 VanDerWaalsContact O-CB 3.28Å; P119-R125 WeakPolarHBondContact O-CB 3.32Å; K123-R125 PolarHBondContact O-N 2.61Å; R125-D128 HydrophobicContact CG-CB 4.28Å; R125-D128 IonicContact CZ-OD1 2.7Å; R125-D128 IonicContact NE-OD1 2.73Å; R125-D128 IonicContact NH2-OD1 3.19Å; R125-D128 PolarHBondContact NH2-OD1 3.11Å | ||
| 126 | I | 90.1 | Very high | 89.5 | Confident | 31 Ų | 31 | 97.9 Ų | 97.9 | 16% | 0.159 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 142.6 | 166.8 | -158.6 | 161.1 | 0 | 0 | 0 | 110.7 | V109 D111 K118 P119 D128 | V109-I126 HydrophobicContact CB-CD1 4.44Å; V109-I126 HydrophobicContact CG1-CD1 4.07Å; D111-I126 HydrophobicContact CB-CD1 3.94Å; D111-I126 HydrophobicContact CB-CG1 4.37Å; K118-I126 HydrophobicContact CB-CB 4.42Å; P119-I126 PolarHBondContact O-N 3.44Å; I126-D128 PolarHBondContact O-N 3.28Å |
| 127 | D | 84.5 | Confident | 89.1 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 66% | 0.663 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 48.2 | -177.9 | -57.7 | -34.2 | 0 | 0 | 0 | 114.5 | ||
| 128 | D | 87.5 | Confident | 88.7 | Confident | 27 Ų | 27 | 95 Ų | 95 | 14% | 0.144 | 46% | 0.456 | C | S | . | . | trans | -72.9 | 144 | 168.9 | -152.3 | 12.7 | 0 | 0 | 0 | 111.4 | R125 I126 K130 D131 | R125-D128 HydrophobicContact CG-CB 4.28Å; R125-D128 IonicContact CZ-OD1 2.7Å; R125-D128 IonicContact NE-OD1 2.73Å; R125-D128 IonicContact NH2-OD1 3.19Å; R125-D128 PolarHBondContact NH2-OD1 3.11Å; I126-D128 PolarHBondContact O-N 3.28Å; D128-K130 PolarHBondContact O-N 3.44Å; D128-D131 PolarHBondContact O-N 2.75Å | ||
| 129 | V | 86.5 | Confident | 88.1 | Confident | 38 Ų | 38 | 100.7 Ų | 100.7 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -69.4 | -26 | -179.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | D131 K132 F148 | V129-D131 VanDerWaalsContact C-N 3.35Å; V129-K132 PolarHBondContact O-N 3.4Å; V129-F148 HydrophobicContact CG1-CD1 3.98Å |
| 130 | K | 85.1 | Confident | 87.4 | Confident | 182 Ų | 182 | 107.7 Ų | 107.7 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -70.2 | -28.8 | -179.7 | -62.9 | -178.3 | 177 | -173.5 | 0 | 113.7 | D128 K132 | D128-K130 PolarHBondContact O-N 3.44Å; K130-K132 VanDerWaalsContact C-N 3.28Å |
| 131 | D | 84.8 | Confident | 86.6 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -81.6 | -15.1 | -177.4 | -60.1 | -10.6 | 0 | 0 | 0 | 111.4 | D128 V129 W133 | D128-D131 PolarHBondContact O-N 2.75Å; V129-D131 VanDerWaalsContact C-N 3.35Å; D131-W133 PolarHBondContact O-N 3.11Å |
| 132 | K | 86.3 | Confident | 86 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | trans | -81.8 | 110.8 | 178 | -59.9 | -172.8 | -179.1 | -164.9 | 0 | 109.1 | V129 K130 L135 F148 | V129-K132 PolarHBondContact O-N 3.4Å; K130-K132 VanDerWaalsContact C-N 3.28Å; K132-L135 HydrophobicContact CD-CD2 3.91Å; K132-F148 HydrophobicContact CB-CE1 4.31Å; K132-F148 VanDerWaalsContact O-CE1 3.28Å; K132-F148 WeakPolarHBondContact O-CE1 3.37Å; K132-F148 VanDerWaalsContact O-CZ 3.32Å; K132-F148 WeakPolarHBondContact O-CZ 3.49Å | ||
| 133 | W | 86 | Confident | 85.3 | Confident | 228 Ų | 228 | 102.2 Ų | 102.2 | 86% | 0.864 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -84.3 | -29.2 | 179.7 | 61.5 | -83.8 | 0 | 0 | 0 | 112.8 | D131 | D131-W133 PolarHBondContact O-N 3.11Š|
| 134 | V | 86.8 | Confident | 84.9 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | trans | -135.5 | 141.4 | 175.6 | 161.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 135 | L | 85.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 102.9 Ų | 102.9 | 23% | 0.225 | 51% | 0.512 | C | S | . | . | trans | -122.6 | 124.9 | 170.2 | -72.8 | 169.5 | 0 | 0 | 0 | 107.8 | K132 Q147 F148 L151 | K132-L135 HydrophobicContact CD-CD2 3.91Å; L135-Q147 HydrophobicContact CB-CB 4.11Å; L135-Q147 HydrophobicContact CD1-CB 4.02Å; L135-F148 HydrophobicContact CD1-CD1 3.59Å; L135-F148 HydrophobicContact CD1-CD2 4.01Å; L135-F148 HydrophobicContact CD1-CE1 3.59Å; L135-F148 HydrophobicContact CD1-CE2 4Å; L135-F148 HydrophobicContact CD1-CG 3.81Å; L135-F148 HydrophobicContact CD1-CZ 3.79Å; L135-F148 HydrophobicContact CG-CE1 4.04Å; L135-F148 HydrophobicContact CG-CE2 4.29Å; L135-F148 HydrophobicContact CG-CZ 3.91Å; L135-L151 HydrophobicContact CD1-CD1 3.63Å; L135-L151 HydrophobicContact CD2-CD1 4.23Å | ||
| 136 | E | 85.6 | Confident | 84.4 | Confident | 179 Ų | 179 | 104.8 Ų | 104.8 | 84% | 0.836 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -67 | 132.3 | 173.2 | -67.1 | 171.4 | -172.4 | 0 | 0 | 109.6 | P138 | E136-P138 WeakPolarHBondContact O-CD 3.35Š|
| 137 | V | 86.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 122.9 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | A141 Q147 | V137-A141 HydrophobicContact CG1-CB 4.19Å; V137-Q147 HydrophobicContact CG2-CG 3.97Å |
| 138 | P | 86 | Confident | 84.5 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 47% | 0.468 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 141 | 176.1 | -21.2 | 32.3 | 0 | 0 | 0 | 111.2 | E136 N140 A141 | E136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-N140 PolarHBondContact O-N 2.93Å; P138-A141 HydrophobicContact CB-CB 4.4Å; P138-A141 WeakPolarHBondContact O-CB 3.43Å; P138-A141 PolarHBondContact O-N 3.16Å |
| 139 | D | 80.3 | Confident | 84.5 | Confident | 168 Ų | 168 | 101.9 Ų | 101.9 | 90% | 0.898 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.7 | -178.2 | -58.1 | -28.5 | 0 | 0 | 0 | 114.2 | ||
| 140 | N | 81.9 | Confident | 84.7 | Confident | 170 Ų | 170 | 104.1 Ų | 104.1 | 91% | 0.909 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 1.9 | 178.9 | -70.3 | -27.1 | 0 | 0 | 0 | 114.2 | P138 | P138-N140 PolarHBondContact O-N 2.93Š|
| 141 | A | 76.8 | Confident | 84.9 | Confident | 22 Ų | 22 | 98.8 Ų | 98.8 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -103.2 | 157.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V137 P138 P143 | V137-A141 HydrophobicContact CG1-CB 4.19Å; P138-A141 HydrophobicContact CB-CB 4.4Å; P138-A141 WeakPolarHBondContact O-CB 3.43Å; P138-A141 PolarHBondContact O-N 3.16Å; A141-P143 WeakPolarHBondContact O-CD 3.45Å |
| 142 | D | 80.5 | Confident | 85.2 | Confident | 97 Ų | 97 | 98.7 Ų | 98.7 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | trans | -62.7 | 123.1 | 173.2 | -172.3 | -12.3 | 0 | 0 | 0 | 109.1 | Y144 E145 | D142-Y144 PolarHBondContact O-N 3.11Å; D142-Y144 PolarHBondContact OD1-N 3.33Å; D142-E145 HydrophobicContact CB-CB 4.34Å; D142-E145 WeakPolarHBondContact O-CB 3.36Å; D142-E145 PolarHBondContact O-N 3.19Å | ||
| 143 | P | 78.5 | Confident | 85.5 | Confident | 102 Ų | 102 | 100.1 Ų | 100.1 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.8 | 179 | -27.2 | 35.6 | 0 | 0 | 0 | 114.1 | A141 | A141-P143 WeakPolarHBondContact O-CD 3.45Š|
| 144 | Y | 81 | Confident | 85.9 | Confident | 215 Ų | 215 | 91 Ų | 91 | 84% | 0.843 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.3 | -179.3 | -62.2 | -75.6 | 0 | 0 | 0 | 114.1 | D142 | D142-Y144 PolarHBondContact O-N 3.11Å; D142-Y144 PolarHBondContact OD1-N 3.33Å |
| 145 | E | 83.3 | Confident | 86.2 | Confident | 73 Ų | 73 | 89.8 Ų | 89.8 | 34% | 0.341 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -81.2 | 124.9 | 179.4 | -167.2 | -176.4 | -177.5 | 0 | 0 | 112 | D142 Q147 K150 | D142-E145 HydrophobicContact CB-CB 4.34Å; D142-E145 WeakPolarHBondContact O-CB 3.36Å; D142-E145 PolarHBondContact O-N 3.19Å; E145-Q147 PolarHBondContact O-N 3Å; E145-Q147 VanDerWaalsContact O-N 3.08Å; E145-Q147 PolarHBondContact O-NE2 2.92Å; E145-K150 VanDerWaalsContact CD-NZ 3.34Å; E145-K150 WeakPolarHBondContact OE1-CD 3.49Å; E145-K150 WeakPolarHBondContact OE1-CE 3.32Å; E145-K150 IonicContact OE1-NZ 3.24Å; E145-K150 PolarHBondContact OE1-NZ 3.4Å; E145-K150 IonicContact OE2-NZ 2.71Å; E145-K150 PolarHBondContact OE2-NZ 3Å |
| 146 | D | 88.2 | Confident | 86.6 | Confident | 94 Ų | 94 | 95.1 Ų | 95.1 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | trans | -68.2 | 105.4 | 173.4 | 178.4 | 4.4 | 0 | 0 | 0 | 111.3 | F148 A149 K150 | D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 3Å; D146-F148 WeakPolarHBondContact OD1-CB 3.37Å; D146-F148 PolarHBondContact OD1-N 3.08Å; D146-A149 HydrophobicContact CB-CB 3.96Å; D146-A149 PolarHBondContact O-N 3.44Å; D146-A149 PolarHBondContact OD1-N 3.24Å; D146-A149 WeakPolarHBondContact OD2-CB 3.37Å; D146-K150 PolarHBondContact O-N 3.26Å; D146-K150 VanDerWaalsContact O-N 3.08Å | ||
| 147 | Q | 87.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 92.7 Ų | 92.7 | 11% | 0.107 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.1 | -30.5 | -180 | -58.4 | -56.1 | -31.7 | 0 | 0 | 112.8 | L135 V137 E145 K150 L151 | L135-Q147 HydrophobicContact CB-CB 4.11Å; L135-Q147 HydrophobicContact CD1-CB 4.02Å; V137-Q147 HydrophobicContact CG2-CG 3.97Å; E145-Q147 PolarHBondContact O-N 3Å; E145-Q147 VanDerWaalsContact O-N 3.08Å; E145-Q147 PolarHBondContact O-NE2 2.92Å; Q147-K150 PolarHBondContact O-N 3.09Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.5Å |
| 148 | F | 88.9 | Confident | 87.5 | Confident | 65 Ų | 65 | 97.9 Ų | 97.9 | 29% | 0.285 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -45.7 | 176.1 | -70.8 | -82.6 | 0 | 0 | 0 | 110.8 | V129 K132 L135 D146 K150 L151 I152 | V129-F148 HydrophobicContact CG1-CD1 3.98Å; K132-F148 HydrophobicContact CB-CE1 4.31Å; K132-F148 VanDerWaalsContact O-CE1 3.28Å; K132-F148 WeakPolarHBondContact O-CE1 3.37Å; K132-F148 VanDerWaalsContact O-CZ 3.32Å; K132-F148 WeakPolarHBondContact O-CZ 3.49Å; L135-F148 HydrophobicContact CD1-CD1 3.59Å; L135-F148 HydrophobicContact CD1-CD2 4.01Å; L135-F148 HydrophobicContact CD1-CE1 3.59Å; L135-F148 HydrophobicContact CD1-CE2 4Å; L135-F148 HydrophobicContact CD1-CG 3.81Å; L135-F148 HydrophobicContact CD1-CZ 3.79Å; L135-F148 HydrophobicContact CG-CE1 4.04Å; L135-F148 HydrophobicContact CG-CE2 4.29Å; L135-F148 HydrophobicContact CG-CZ 3.91Å; D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 3Å; D146-F148 WeakPolarHBondContact OD1-CB 3.37Å; D146-F148 PolarHBondContact OD1-N 3.08Å; F148-K150 VanDerWaalsContact C-N 3.29Å; F148-K150 PolarHBondContact O-N 3.43Å; F148-L151 PolarHBondContact O-N 2.84Å; F148-I152 VanDerWaalsContact O-CG1 3.28Å; F148-I152 WeakPolarHBondContact O-CG1 3.28Å; F148-I152 PolarHBondContact O-N 3.14Å |
| 149 | A | 89.4 | Confident | 88 | Confident | 33 Ų | 33 | 101.7 Ų | 101.7 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D146 L151 I152 Q153 | D146-A149 HydrophobicContact CB-CB 3.96Å; D146-A149 PolarHBondContact O-N 3.44Å; D146-A149 PolarHBondContact OD1-N 3.24Å; D146-A149 WeakPolarHBondContact OD2-CB 3.37Å; A149-L151 PolarHBondContact O-N 3.3Å; A149-I152 PolarHBondContact O-N 2.94Å; A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 VanDerWaalsContact O-CG 3.3Å; A149-Q153 WeakPolarHBondContact O-CG 3.38Å; A149-Q153 PolarHBondContact O-N 2.77Å |
| 150 | K | 89.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 37% | 0.365 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.6 | -166.5 | 178 | -161.6 | 152.6 | 0 | 112.7 | E145 D146 Q147 F148 I152 Q153 A154 | E145-K150 VanDerWaalsContact CD-NZ 3.34Å; E145-K150 WeakPolarHBondContact OE1-CD 3.49Å; E145-K150 WeakPolarHBondContact OE1-CE 3.32Å; E145-K150 IonicContact OE1-NZ 3.24Å; E145-K150 PolarHBondContact OE1-NZ 3.4Å; E145-K150 IonicContact OE2-NZ 2.71Å; E145-K150 PolarHBondContact OE2-NZ 3Å; D146-K150 PolarHBondContact O-N 3.26Å; D146-K150 VanDerWaalsContact O-N 3.08Å; Q147-K150 PolarHBondContact O-N 3.09Å; F148-K150 VanDerWaalsContact C-N 3.29Å; F148-K150 PolarHBondContact O-N 3.43Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.26Å; K150-Q153 PolarHBondContact O-N 3.47Å; K150-A154 VanDerWaalsContact O-CB 3.3Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 3.12Å |
| 151 | L | 89.8 | Confident | 89.2 | Confident | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.3 | -72.6 | -178.9 | 0 | 0 | 0 | 112.5 | L135 Q147 F148 A149 K155 | L135-L151 HydrophobicContact CD1-CD1 3.63Å; L135-L151 HydrophobicContact CD2-CD1 4.23Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.5Å; F148-L151 PolarHBondContact O-N 2.84Å; A149-L151 PolarHBondContact O-N 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.19Å |
| 152 | I | 91.2 | Very high | 90.1 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 177.2 | -67.7 | 166 | 0 | 0 | 0 | 110.2 | F148 A149 K150 K155 K156 | F148-I152 VanDerWaalsContact O-CG1 3.28Å; F148-I152 WeakPolarHBondContact O-CG1 3.28Å; F148-I152 PolarHBondContact O-N 3.14Å; A149-I152 PolarHBondContact O-N 2.94Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.26Å; I152-K155 PolarHBondContact O-N 2.84Å; I152-K156 PolarHBondContact O-N 3.21Å |
| 153 | Q | 92.9 | Very high | 90.6 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.9 | -50.3 | 176.5 | -72.5 | 179.9 | 10.1 | 0 | 0 | 111 | A149 K150 K155 K156 E157 | A149-Q153 WeakPolarHBondContact O-CB 3.43Å; A149-Q153 VanDerWaalsContact O-CG 3.3Å; A149-Q153 WeakPolarHBondContact O-CG 3.38Å; A149-Q153 PolarHBondContact O-N 2.77Å; K150-Q153 PolarHBondContact O-N 3.47Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 PolarHBondContact O-N 2.99Å; Q153-K156 CarbonylContact O-C 3.54Å; Q153-K156 WeakPolarHBondContact O-CA 3.4Å; Q153-K156 WeakPolarHBondContact O-CB 3.18Å; Q153-K156 PolarHBondContact O-N 2.75Å; Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 2.9Å |
| 154 | A | 93.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K150 R158 | K150-A154 VanDerWaalsContact O-CB 3.3Å; K150-A154 WeakPolarHBondContact O-CB 3.47Å; K150-A154 PolarHBondContact O-N 3.12Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 WeakPolarHBondContact O-CG 3.46Å; A154-R158 PolarHBondContact O-N 2.98Å; A154-R158 PolarHBondContact O-NE 3.13Å |
| 155 | K | 92.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 90.2 Ų | 90.2 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 173.4 | -173.3 | 179.8 | 179.3 | 177.9 | 0 | 112.2 | L151 I152 Q153 R159 | L151-K155 WeakPolarHBondContact O-CB 3.41Å; L151-K155 PolarHBondContact O-N 3.19Å; I152-K155 PolarHBondContact O-N 2.84Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 PolarHBondContact O-N 2.99Å; K155-R159 WeakPolarHBondContact O-CG 3.33Å; K155-R159 PolarHBondContact O-N 3.13Å; K155-R159 PolarHBondContact O-NE 2.96Å |
| 156 | K | 95 | Very high | 91.9 | Very high | 155 Ų | 155 | 93.3 Ų | 93.3 | 67% | 0.674 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.4 | -44.7 | 174.9 | -172 | -179.2 | 178.3 | -176.8 | 0 | 110.4 | I152 Q153 R159 A160 | I152-K156 PolarHBondContact O-N 3.21Å; Q153-K156 CarbonylContact O-C 3.54Å; Q153-K156 WeakPolarHBondContact O-CA 3.4Å; Q153-K156 WeakPolarHBondContact O-CB 3.18Å; Q153-K156 PolarHBondContact O-N 2.75Å; K156-R159 WeakPolarHBondContact O-CB 3.48Å; K156-R159 PolarHBondContact O-N 3.18Å; K156-A160 WeakPolarHBondContact O-CB 3.32Å; K156-A160 PolarHBondContact O-N 2.86Å |
| 157 | E | 96.2 | Very high | 91.9 | Very high | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 176.6 | -71.2 | 179.7 | 176.1 | 0 | 0 | 112.7 | Q153 R159 A160 K161 | Q153-E157 WeakPolarHBondContact O-CG 3.49Å; Q153-E157 PolarHBondContact O-N 2.9Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.01Å; E157-A160 PolarHBondContact O-N 2.88Å; E157-K161 WeakPolarHBondContact O-CB 3.43Å; E157-K161 PolarHBondContact O-N 3.02Å |
| 158 | R | 95.6 | Very high | 91.8 | Very high | 171 Ų | 171 | 93.6 Ų | 93.6 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 175.3 | -77.4 | -176.7 | -67.4 | 137.1 | -9.2 | 112.2 | A154 N162 | A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 WeakPolarHBondContact O-CG 3.46Å; A154-R158 PolarHBondContact O-N 2.98Å; A154-R158 PolarHBondContact O-NE 3.13Å; R158-N162 WeakPolarHBondContact O-CB 3.38Å; R158-N162 PolarHBondContact O-N 3.48Å |
| 159 | R | 95 | Very high | 91.7 | Very high | 152 Ų | 152 | 92.2 Ų | 92.2 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 175 | -77.3 | -175.8 | -84.4 | -179.2 | -2.5 | 111.5 | K155 K156 E157 K161 N162 E163 | K155-R159 WeakPolarHBondContact O-CG 3.33Å; K155-R159 PolarHBondContact O-N 3.13Å; K155-R159 PolarHBondContact O-NE 2.96Å; K156-R159 WeakPolarHBondContact O-CB 3.48Å; K156-R159 PolarHBondContact O-N 3.18Å; E157-R159 VanDerWaalsContact C-N 3.28Å; E157-R159 PolarHBondContact O-N 3.01Å; R159-K161 PolarHBondContact O-N 3.04Å; R159-N162 PolarHBondContact O-N 3.19Å; R159-E163 PolarHBondContact O-N 3.18Å |
| 160 | A | 93.7 | Very high | 91.5 | Very high | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K156 E157 N162 E163 L164 | K156-A160 WeakPolarHBondContact O-CB 3.32Å; K156-A160 PolarHBondContact O-N 2.86Å; E157-A160 PolarHBondContact O-N 2.88Å; A160-N162 PolarHBondContact O-N 2.93Å; A160-E163 PolarHBondContact O-N 3.47Å; A160-L164 WeakPolarHBondContact O-CB 3.28Å; A160-L164 PolarHBondContact O-N 3.32Å |
| 161 | K | 94.6 | Very high | 91.1 | Very high | 139 Ų | 139 | 90 Ų | 90 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 175.4 | -174.7 | 175.3 | -177.8 | 174.8 | 0 | 111.9 | E157 R159 L164 Q165 | E157-K161 WeakPolarHBondContact O-CB 3.43Å; E157-K161 PolarHBondContact O-N 3.02Å; R159-K161 PolarHBondContact O-N 3.04Å; K161-L164 PolarHBondContact O-N 3.45Å; K161-Q165 WeakPolarHBondContact O-CB 3.06Å; K161-Q165 VanDerWaalsContact O-CG 3.28Å; K161-Q165 WeakPolarHBondContact O-CG 3.12Å; K161-Q165 PolarHBondContact O-N 3.25Å |
| 162 | N | 94.5 | Very high | 90.6 | Very high | 102 Ų | 102 | 90.6 Ų | 90.6 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 176.1 | -172.4 | -82.4 | 0 | 0 | 0 | 111.5 | R158 R159 A160 L164 Q165 R166 | R158-N162 WeakPolarHBondContact O-CB 3.38Å; R158-N162 PolarHBondContact O-N 3.48Å; R159-N162 PolarHBondContact O-N 3.19Å; A160-N162 PolarHBondContact O-N 2.93Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.37Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.45Å; N162-R166 PolarHBondContact O-N 2.98Å |
| 163 | E | 92.5 | Very high | 89.9 | Confident | 75 Ų | 75 | 89.2 Ų | 89.2 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177.8 | -172.8 | 57.7 | -155.8 | 0 | 0 | 111.6 | R159 A160 Q165 R166 L167 | R159-E163 PolarHBondContact O-N 3.18Å; A160-E163 PolarHBondContact O-N 3.47Å; E163-Q165 VanDerWaalsContact C-N 3.34Å; E163-Q165 PolarHBondContact O-N 3.24Å; E163-R166 WeakPolarHBondContact O-CB 3.28Å; E163-R166 PolarHBondContact O-N 3.29Å; E163-R166 IonicContact OE1-CZ 3.36Å; E163-R166 IonicContact OE1-NH1 3.88Å; E163-R166 PolarHBondContact OE1-NH1 2.86Å; E163-R166 WeakPolarHBondContact OE2-CD 3.24Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.86Å; E163-L167 HydrophobicContact CG-CD1 4.48Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.48Å |
| 164 | L | 90.1 | Very high | 89 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 174 | -167 | 163.1 | 0 | 0 | 0 | 111.1 | A160 K161 N162 R166 L167 R168 | A160-L164 WeakPolarHBondContact O-CB 3.28Å; A160-L164 PolarHBondContact O-N 3.32Å; K161-L164 PolarHBondContact O-N 3.45Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.37Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 3.28Å; L164-R168 HydrophobicContact CD2-CG 3.95Å; L164-R168 WeakPolarHBondContact O-CG 3.36Å; L164-R168 PolarHBondContact O-N 3.42Å |
| 165 | Q | 90.5 | Very high | 87.7 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 43% | 0.425 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 175.7 | -73.8 | 175 | -2.1 | 0 | 0 | 112.3 | K161 N162 E163 R168 N169 | K161-Q165 WeakPolarHBondContact O-CB 3.06Å; K161-Q165 VanDerWaalsContact O-CG 3.28Å; K161-Q165 WeakPolarHBondContact O-CG 3.12Å; K161-Q165 PolarHBondContact O-N 3.25Å; N162-Q165 WeakPolarHBondContact O-CB 3.36Å; N162-Q165 PolarHBondContact O-N 3.45Å; E163-Q165 VanDerWaalsContact C-N 3.34Å; E163-Q165 PolarHBondContact O-N 3.24Å; Q165-R168 PolarHBondContact O-N 2.91Å; Q165-N169 VanDerWaalsContact O-CG 3.29Å; Q165-N169 PolarHBondContact O-N 2.95Å; Q165-N169 PolarHBondContact O-ND2 2.99Å |
| 166 | R | 89.3 | Confident | 86 | Confident | 137 Ų | 137 | 94.7 Ų | 94.7 | 52% | 0.517 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 173.4 | 180 | -170.3 | 171.7 | -142.5 | 1.6 | 110.8 | N162 E163 L164 R168 N169 I170 | N162-R166 PolarHBondContact O-N 2.98Å; E163-R166 WeakPolarHBondContact O-CB 3.28Å; E163-R166 PolarHBondContact O-N 3.29Å; E163-R166 IonicContact OE1-CZ 3.36Å; E163-R166 IonicContact OE1-NH1 3.88Å; E163-R166 PolarHBondContact OE1-NH1 2.86Å; E163-R166 WeakPolarHBondContact OE2-CD 3.24Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.86Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.07Å; R166-R168 PolarHBondContact O-N 2.88Å; R166-N169 PolarHBondContact O-N 2.8Å; R166-I170 HydrophobicContact CG-CD1 4.07Å; R166-I170 WeakPolarHBondContact O-CG1 3.3Å; R166-I170 PolarHBondContact O-N 3.34Å |
| 167 | L | 87.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 91 Ų | 91 | 13% | 0.126 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.9 | -68.5 | 174.3 | 0 | 0 | 0 | 112.1 | E163 L164 N169 I170 A171 P180 I182 V184 | E163-L167 HydrophobicContact CG-CD1 4.48Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.48Å; L164-L167 PolarHBondContact O-N 3.28Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 2.81Å; L167-I170 PolarHBondContact O-N 3.2Å; L167-A171 WeakPolarHBondContact O-CB 3.41Å; L167-A171 PolarHBondContact O-N 3.48Å; L167-P180 HydrophobicContact CD2-CG 4.05Å; L167-I182 HydrophobicContact CD1-CB 4.34Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG2 3.91Å; L167-V184 HydrophobicContact CB-CG2 3.99Å; L167-V184 HydrophobicContact CD1-CG2 4.39Å |
| 168 | R | 84.9 | Confident | 82.5 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 172.9 | -81 | -177.3 | 177.2 | 155.9 | 5.4 | 112.2 | L164 Q165 R166 R172 V184 | L164-R168 HydrophobicContact CD2-CG 3.95Å; L164-R168 WeakPolarHBondContact O-CG 3.36Å; L164-R168 PolarHBondContact O-N 3.42Å; Q165-R168 PolarHBondContact O-N 2.91Å; R166-R168 PolarHBondContact O-N 2.88Å; R168-R172 WeakPolarHBondContact O-CG 3.48Å; R168-R172 PolarHBondContact O-N 2.96Å; R168-V184 HydrophobicContact CB-CG1 4.04Å; R168-V184 HydrophobicContact CG-CG1 3.14Å |
| 169 | N | 87.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 19% | 0.193 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 177.4 | -71 | -32 | 0 | 0 | 0 | 111 | R90 Q165 R166 L167 A171 R172 T173 | R90-N169 PolarHBondContact N-OD1 3.26Å; Q165-N169 VanDerWaalsContact O-CG 3.29Å; Q165-N169 PolarHBondContact O-N 2.95Å; Q165-N169 PolarHBondContact O-ND2 2.99Å; R166-N169 PolarHBondContact O-N 2.8Å; L167-N169 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 2.81Å; N169-A171 PolarHBondContact O-N 3.03Å; N169-R172 PolarHBondContact O-N 2.81Å; N169-T173 WeakPolarHBondContact O-CG2 3.33Å; N169-T173 PolarHBondContact O-N 3.24Å |
| 170 | I | 84.8 | Confident | 78.7 | Confident | 57 Ų | 57 | 81.2 Ų | 81.2 | 29% | 0.292 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 175.8 | -66.6 | 166.1 | 0 | 0 | 0 | 110.5 | R166 L167 R172 T173 V174 P180 | R166-I170 HydrophobicContact CG-CD1 4.07Å; R166-I170 WeakPolarHBondContact O-CG1 3.3Å; R166-I170 PolarHBondContact O-N 3.34Å; L167-I170 PolarHBondContact O-N 3.2Å; I170-R172 PolarHBondContact O-N 3.45Å; I170-T173 PolarHBondContact O-N 2.85Å; I170-T173 PolarHBondContact O-OG1 2.97Å; I170-V174 HydrophobicContact CG2-CG2 4.06Å; I170-V174 WeakPolarHBondContact O-CG2 3.5Å; I170-V174 PolarHBondContact O-N 3.23Å; I170-V174 VanDerWaalsContact O-N 3.12Å; I170-P180 HydrophobicContact CG2-CG 4.36Å |
| 171 | A | 81.8 | Confident | 76.9 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.5 | -29.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L167 N169 A179 T186 | L167-A171 WeakPolarHBondContact O-CB 3.41Å; L167-A171 PolarHBondContact O-N 3.48Å; N169-A171 PolarHBondContact O-N 3.03Å; A171-A179 HydrophobicContact CB-CB 4.36Å; A171-T186 HydrophobicContact CB-CG2 4.17Å |
| 172 | R | 78.8 | Confident | 75 | Confident | 84 Ų | 84 | 80.8 Ų | 80.8 | 32% | 0.317 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.9 | -33.9 | 174.2 | -71.8 | 169.6 | -176.3 | 171.3 | -5.3 | 113.1 | R168 N169 I170 E187 | R168-R172 WeakPolarHBondContact O-CG 3.48Å; R168-R172 PolarHBondContact O-N 2.96Å; N169-R172 PolarHBondContact O-N 2.81Å; I170-R172 PolarHBondContact O-N 3.45Å; R172-E187 IonicContact CZ-OE2 3.83Å; R172-E187 IonicContact NH2-OE2 2.85Å; R172-E187 PolarHBondContact NH2-OE2 3.4Å |
| 173 | T | 77.3 | Confident | 73.2 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -82.2 | -26.1 | -177.8 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | E87 N169 I170 | E87-T173 HydrophobicContact CB-CG2 3.96Å; E87-T173 HydrophobicContact CG-CG2 4.46Å; N169-T173 WeakPolarHBondContact O-CG2 3.33Å; N169-T173 PolarHBondContact O-N 3.24Å; I170-T173 PolarHBondContact O-N 2.85Å; I170-T173 PolarHBondContact O-OG1 2.97Å |
| 174 | V | 72.8 | Confident | 71.7 | Confident | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -90.7 | 130.8 | -175.6 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | I170 Q178 A179 | I170-V174 HydrophobicContact CG2-CG2 4.06Å; I170-V174 WeakPolarHBondContact O-CG2 3.5Å; I170-V174 PolarHBondContact O-N 3.23Å; I170-V174 VanDerWaalsContact O-N 3.12Å; V174-Q178 HydrophobicContact CG1-CB 3.48Å; V174-Q178 VanDerWaalsContact CG1-CB 3.48Å; V174-Q178 HydrophobicContact CG1-CG 3.98Å; V174-A179 HydrophobicContact CB-CB 4.49Å |
| 175 | K | 66.6 | Low | 70.3 | Confident | 180 Ų | 180 | 75.8 Ų | 75.8 | 78% | 0.783 | 43% | 0.427 | S | S | * | . | trans | -52.8 | 142.6 | 176.2 | -69.1 | -176.8 | 178.4 | -175.9 | 0 | 110.8 | G177 Q178 | K175-G177 PolarHBondContact O-N 3.43Å; K175-Q178 PolarHBondContact O-N 3.49Å; K175-Q178 VanDerWaalsContact O-N 3.13Å | ||
| 176 | A | 57.3 | Low | 68.7 | Low | 110 Ų | 110 | 73.7 Ų | 73.7 | 91% | 0.909 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 111.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 177 | G | 56.6 | Low | 67.4 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 80% | 0.804 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.5 | -21.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K175 | K175-G177 PolarHBondContact O-N 3.43Š|
| 178 | Q | 59.9 | Low | 65.8 | Low | 160 Ų | 160 | 76.7 Ų | 76.7 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | trans | -108.8 | 0.7 | -178.9 | -171.2 | 177.7 | 6.3 | 0 | 0 | 113.4 | V174 K175 | V174-Q178 HydrophobicContact CG1-CB 3.48Å; V174-Q178 VanDerWaalsContact CG1-CB 3.48Å; V174-Q178 HydrophobicContact CG1-CG 3.98Å; K175-Q178 PolarHBondContact O-N 3.49Å; K175-Q178 VanDerWaalsContact O-N 3.13Å | ||
| 179 | A | 55.9 | Low | 64.4 | Low | 38 Ų | 38 | 79.4 Ų | 79.4 | 31% | 0.314 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -67.7 | 148.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A171 V174 | A171-A179 HydrophobicContact CB-CB 4.36Å; V174-A179 HydrophobicContact CB-CB 4.49Å |
| 180 | P | 55.6 | Low | 63 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 32% | 0.318 | 48% | 0.48 | S | S | . | . | trans | -56.9 | 137.9 | 179 | 21.4 | -31.7 | 0 | 0 | 0 | 111.1 | L167 I170 I182 | L167-P180 HydrophobicContact CD2-CG 4.05Å; I170-P180 HydrophobicContact CG2-CG 4.36Å; P180-I182 PolarHBondContact O-N 2.88Å | ||
| 181 | P | 55.7 | Low | 62.2 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -79.5 | 43.6 | -169.7 | 35.5 | -38.9 | 0 | 0 | 0 | 113 | ||
| 182 | I | 55.3 | Low | 61.9 | Low | 103 Ų | 103 | 86.1 Ų | 86.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -108 | 132.1 | 174.8 | -71.2 | 157.1 | 0 | 0 | 0 | 105.4 | L167 P180 V184 | L167-I182 HydrophobicContact CD1-CB 4.34Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG2 3.91Å; P180-I182 PolarHBondContact O-N 2.88Å; I182-V184 HydrophobicContact CG2-CG2 4.2Å; I182-V184 PolarHBondContact O-N 2.62Å |
| 183 | G | 56.5 | Low | 61.7 | Low | 48 Ų | 48 | 86.9 Ų | 86.9 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -57.6 | 42.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | L185 | G183-L185 PolarHBondContact O-N 2.84Š|
| 184 | V | 59.9 | Low | 61.4 | Low | 29 Ų | 29 | 86.8 Ų | 86.8 | 18% | 0.176 | 51% | 0.512 | C | S | . | . | trans | -88.4 | 86 | 175.8 | -177 | 0 | 0 | 0 | 0 | 106.7 | L167 R168 I182 T186 | L167-V184 HydrophobicContact CB-CG2 3.99Å; L167-V184 HydrophobicContact CD1-CG2 4.39Å; R168-V184 HydrophobicContact CB-CG1 4.04Å; R168-V184 HydrophobicContact CG-CG1 3.14Å; I182-V184 HydrophobicContact CG2-CG2 4.2Å; I182-V184 PolarHBondContact O-N 2.62Å; V184-T186 PolarHBondContact O-N 2.9Å | ||
| 185 | L | 61.4 | Low | 61.6 | Low | 64 Ų | 64 | 88.8 Ų | 88.8 | 34% | 0.335 | 52% | 0.521 | S | S | . | . | trans | -61 | 132.5 | 171.1 | -62 | 169.6 | 0 | 0 | 0 | 108.8 | G183 E194 L195 A198 | G183-L185 PolarHBondContact O-N 2.84Å; L185-E194 HydrophobicContact CD2-CB 3.89Å; L185-L195 HydrophobicContact CD1-CD2 3.84Å; L185-A198 HydrophobicContact CD2-CB 4.35Å | ||
| 186 | T | 58 | Low | 62.2 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 29% | 0.288 | 51% | 0.507 | S | S | . | . | trans | -72.7 | 133.7 | 170.2 | 67.6 | 0 | 0 | 0 | 0 | 108.1 | A171 V184 S188 | A171-T186 HydrophobicContact CB-CG2 4.17Å; V184-T186 PolarHBondContact O-N 2.9Å; T186-S188 PolarHBondContact O-N 3.42Å | ||
| 187 | E | 60.2 | Low | 63 | Low | 131 Ų | 131 | 85.5 Ų | 85.5 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.2 | -170.5 | -75.9 | 158.9 | 156.9 | 0 | 0 | 113.9 | R90 R172 | R90-E187 IonicContact NH1-OE1 2.79Å; R172-E187 IonicContact CZ-OE2 3.83Å; R172-E187 IonicContact NH2-OE2 2.85Å; R172-E187 PolarHBondContact NH2-OE2 3.4Å |
| 188 | S | 55.4 | Low | 64 | Low | 93 Ų | 93 | 82.9 Ų | 82.9 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -22 | -164.5 | 50.7 | 0 | 0 | 0 | 0 | 116.6 | T186 | T186-S188 PolarHBondContact O-N 3.42Š|
| 189 | Q | 54 | Low | 65.1 | Low | 156 Ų | 156 | 78.2 Ų | 78.2 | 73% | 0.729 | 44% | 0.439 | S | S | * | . | trans | -161 | 88.9 | 176.8 | -72 | -59 | -51.9 | 0 | 0 | 110.4 | S191 | Q189-S191 PolarHBondContact O-N 3Š| ||
| 190 | S | 59 | Low | 66.2 | Low | 68 Ų | 68 | 78.6 Ų | 78.6 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | trans | -71.7 | 93 | 173.4 | 60.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | S | 68.2 | Low | 67.4 | Low | 40 Ų | 40 | 78.9 Ų | 78.9 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | trans | -60.4 | 145.5 | 174.4 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | Q189 T193 E194 L195 | Q189-S191 PolarHBondContact O-N 3Å; S191-T193 PolarHBondContact O-N 3.49Å; S191-T193 PolarHBondContact OG-OG1 2.82Å; S191-E194 WeakPolarHBondContact O-CA 3.36Å; S191-E194 WeakPolarHBondContact O-CB 3.46Å; S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CB 3.49Å; S191-E194 WeakPolarHBondContact OG-CG 3.49Å; S191-E194 PolarHBondContact OG-N 2.99Å; S191-E194 PolarHBondContact OG-OE1 2.78Å; S191-L195 PolarHBondContact O-N 2.72Å | ||
| 192 | K | 76.2 | Confident | 68.7 | Low | 138 Ų | 138 | 78 Ų | 78 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -51.9 | -34.9 | 176.9 | -179.5 | 175.1 | -177.7 | 166.4 | 0 | 111.9 | S196 | K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.95Å |
| 193 | T | 74.3 | Confident | 70 | Confident | 100 Ų | 100 | 76.5 Ų | 76.5 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65 | -45 | 175.5 | 43.7 | 0 | 0 | 0 | 0 | 112 | S191 S196 R197 | S191-T193 PolarHBondContact O-N 3.49Å; S191-T193 PolarHBondContact OG-OG1 2.82Å; T193-S196 WeakPolarHBondContact CA-OG 3.28Å; T193-S196 PolarHBondContact O-N 2.76Å; T193-S196 PolarHBondContact O-OG 3.41Å; T193-R197 WeakPolarHBondContact O-CB 3.44Å; T193-R197 PolarHBondContact O-N 2.99Å |
| 194 | E | 70.6 | Confident | 71.1 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.3 | -79.6 | 162.5 | -126.2 | 0 | 0 | 112.5 | L185 S191 S196 R197 A198 | L185-E194 HydrophobicContact CD2-CB 3.89Å; S191-E194 WeakPolarHBondContact O-CA 3.36Å; S191-E194 WeakPolarHBondContact O-CB 3.46Å; S191-E194 PolarHBondContact O-N 2.86Å; S191-E194 WeakPolarHBondContact OG-CB 3.49Å; S191-E194 WeakPolarHBondContact OG-CG 3.49Å; S191-E194 PolarHBondContact OG-N 2.99Å; S191-E194 PolarHBondContact OG-OE1 2.78Å; E194-S196 PolarHBondContact O-N 2.85Å; E194-R197 PolarHBondContact O-N 3.01Å; E194-A198 WeakPolarHBondContact O-CB 3.35Å; E194-A198 PolarHBondContact O-N 2.84Å |
| 195 | L | 76.2 | Confident | 72.1 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177 | -69.1 | 175.5 | 0 | 0 | 0 | 111.6 | L185 S191 R197 A198 F199 | L185-L195 HydrophobicContact CD1-CD2 3.84Å; S191-L195 PolarHBondContact O-N 2.72Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 2.96Å; L195-A198 PolarHBondContact O-N 2.89Å; L195-F199 VanDerWaalsContact O-CB 3.28Å; L195-F199 WeakPolarHBondContact O-CB 3.13Å; L195-F199 PolarHBondContact O-N 2.89Å |
| 196 | S | 79.5 | Confident | 73.1 | Confident | 70 Ų | 70 | 82 Ų | 82 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 175.9 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | K192 T193 E194 A200 | K192-S196 WeakPolarHBondContact O-CB 3.48Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.95Å; T193-S196 WeakPolarHBondContact CA-OG 3.28Å; T193-S196 PolarHBondContact O-N 2.76Å; T193-S196 PolarHBondContact O-OG 3.41Å; E194-S196 PolarHBondContact O-N 2.85Å; S196-A200 PolarHBondContact O-N 2.92Å |
| 197 | R | 75.1 | Confident | 74.3 | Confident | 151 Ų | 151 | 84.9 Ų | 84.9 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.7 | -44.3 | 177.1 | -170.8 | -179.3 | -168.7 | 170.3 | 4.4 | 111.4 | T193 E194 L195 F199 A200 I201 | T193-R197 WeakPolarHBondContact O-CB 3.44Å; T193-R197 PolarHBondContact O-N 2.99Å; E194-R197 PolarHBondContact O-N 3.01Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 2.96Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 3.31Å; R197-A200 PolarHBondContact O-N 3.48Å; R197-I201 HydrophobicContact CG-CD1 4.14Å; R197-I201 VanDerWaalsContact O-CG1 3.28Å; R197-I201 WeakPolarHBondContact O-CG1 3.35Å; R197-I201 PolarHBondContact O-N 3.39Å |
| 198 | A | 77.6 | Confident | 75.5 | Confident | 24 Ų | 24 | 79.6 Ų | 79.6 | 20% | 0.198 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L185 E194 L195 I201 A202 | L185-A198 HydrophobicContact CD2-CB 4.35Å; E194-A198 WeakPolarHBondContact O-CB 3.35Å; E194-A198 PolarHBondContact O-N 2.84Å; L195-A198 PolarHBondContact O-N 2.89Å; A198-I201 PolarHBondContact O-N 3.17Å; A198-A202 WeakPolarHBondContact O-CB 3.44Å; A198-A202 PolarHBondContact O-N 3.21Å |
| 199 | F | 81.8 | Confident | 76.8 | Confident | 62 Ų | 62 | 81.4 Ų | 81.4 | 27% | 0.272 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 174.8 | -177 | -103.7 | 0 | 0 | 0 | 112.4 | L195 R197 I201 A202 Q203 V216 L221 | L195-F199 VanDerWaalsContact O-CB 3.28Å; L195-F199 WeakPolarHBondContact O-CB 3.13Å; L195-F199 PolarHBondContact O-N 2.89Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 3.31Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.42Å; F199-A202 PolarHBondContact O-N 3.36Å; F199-Q203 VanDerWaalsContact CE1-CD 3.47Å; F199-Q203 HydrophobicContact CE1-CG 4.19Å; F199-Q203 HydrophobicContact CZ-CG 4.27Å; F199-Q203 VanDerWaalsContact CZ-NE2 3.26Å; F199-Q203 WeakPolarHBondContact O-CG 3.43Å; F199-Q203 PolarHBondContact O-N 3.02Å; F199-V216 HydrophobicContact CE2-CB 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.79Å; F199-V216 HydrophobicContact CE2-CG2 4.1Å; F199-V216 HydrophobicContact CZ-CB 3.75Å; F199-V216 HydrophobicContact CZ-CG1 3.68Å; F199-V216 HydrophobicContact CZ-CG2 4.03Å; F199-L221 HydrophobicContact CE1-CD1 3.83Å; F199-L221 HydrophobicContact CE2-CD1 4.28Å; F199-L221 HydrophobicContact CZ-CD1 3.69Å |
| 200 | A | 80.1 | Confident | 78 | Confident | 46 Ų | 46 | 75.1 Ų | 75.1 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S196 R197 N204 | S196-A200 PolarHBondContact O-N 2.92Å; R197-A200 PolarHBondContact O-N 3.48Å; A200-N204 PolarHBondContact O-N 3.26Å |
| 201 | I | 80.3 | Confident | 79 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 28% | 0.282 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.2 | -68 | 164.5 | 0 | 0 | 0 | 109.9 | R197 A198 F199 Q203 N204 S205 | R197-I201 HydrophobicContact CG-CD1 4.14Å; R197-I201 VanDerWaalsContact O-CG1 3.28Å; R197-I201 WeakPolarHBondContact O-CG1 3.35Å; R197-I201 PolarHBondContact O-N 3.39Å; A198-I201 PolarHBondContact O-N 3.17Å; F199-I201 VanDerWaalsContact C-N 3.31Å; F199-I201 PolarHBondContact O-N 3.42Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 3.01Å; I201-N204 PolarHBondContact O-N 2.79Å; I201-N204 VanDerWaalsContact O-N 3.11Å; I201-S205 WeakPolarHBondContact CG2-OG 3.3Å; I201-S205 WeakPolarHBondContact O-CB 3.42Å; I201-S205 PolarHBondContact O-N 3.19Å; I201-S205 PolarHBondContact O-OG 2.88Å |
| 202 | A | 83 | Confident | 79.7 | Confident | 66 Ų | 66 | 89 Ų | 89 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A198 F199 N204 S205 | A198-A202 WeakPolarHBondContact O-CB 3.44Å; A198-A202 PolarHBondContact O-N 3.21Å; F199-A202 PolarHBondContact O-N 3.36Å; A202-N204 VanDerWaalsContact C-N 3.25Å; A202-N204 PolarHBondContact O-N 2.88Å; A202-S205 PolarHBondContact O-N 3.46Å |
| 203 | Q | 82.7 | Confident | 80 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 34% | 0.336 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 175.5 | -75 | -174.6 | -34.6 | 0 | 0 | 112.9 | F199 I201 G210 | F199-Q203 VanDerWaalsContact CE1-CD 3.47Å; F199-Q203 HydrophobicContact CE1-CG 4.19Å; F199-Q203 HydrophobicContact CZ-CG 4.27Å; F199-Q203 VanDerWaalsContact CZ-NE2 3.26Å; F199-Q203 WeakPolarHBondContact O-CG 3.43Å; F199-Q203 PolarHBondContact O-N 3.02Å; I201-Q203 VanDerWaalsContact C-N 3.32Å; I201-Q203 PolarHBondContact O-N 3.01Å; Q203-G210 WeakPolarHBondContact O-CA 3.47Å |
| 204 | N | 80.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 84 Ų | 84 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -96.9 | -5.5 | -176.1 | -65.4 | 1.9 | 0 | 0 | 0 | 113.6 | A200 I201 A202 D206 M209 | A200-N204 PolarHBondContact O-N 3.26Å; I201-N204 PolarHBondContact O-N 2.79Å; I201-N204 VanDerWaalsContact O-N 3.11Å; A202-N204 VanDerWaalsContact C-N 3.25Å; A202-N204 PolarHBondContact O-N 2.88Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-M209 HydrophobicContact CB-CE 4.2Å; N204-M209 WeakPolarHBondContact O-CE 3.34Å |
| 205 | S | 81.1 | Confident | 80.8 | Confident | 86 Ų | 86 | 86.8 Ų | 86.8 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | trans | -85.6 | -2.5 | -172.4 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | I201 A202 | I201-S205 WeakPolarHBondContact CG2-OG 3.3Å; I201-S205 WeakPolarHBondContact O-CB 3.42Å; I201-S205 PolarHBondContact O-N 3.19Å; I201-S205 PolarHBondContact O-OG 2.88Å; A202-S205 PolarHBondContact O-N 3.46Å | ||
| 206 | D | 81.2 | Confident | 80.7 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -71.8 | 153.5 | 171 | -175.3 | 30.2 | 0 | 0 | 0 | 110.7 | N204 S208 M209 | N204-D206 VanDerWaalsContact C-N 3.32Å; D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 PolarHBondContact OD2-OG 3.41Å; D206-M209 PolarHBondContact O-N 3.03Å |
| 207 | A | 84 | Confident | 80.3 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 89% | 0.893 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M209 | A207-M209 VanDerWaalsContact C-N 3.34Š|
| 208 | S | 85.7 | Confident | 79.8 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 15% | 0.147 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.3 | 176.2 | 74.8 | 0 | 0 | 0 | 0 | 115.1 | D206 G210 R211 F212 | D206-S208 PolarHBondContact O-N 2.98Å; D206-S208 PolarHBondContact OD2-OG 3.41Å; S208-G210 PolarHBondContact O-N 3.44Å; S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 VanDerWaalsContact O-CG 3.3Å; S208-R211 WeakPolarHBondContact O-CG 3.36Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.1Å; S208-R211 PolarHBondContact OG-N 2.95Å; S208-F212 PolarHBondContact OG-N 3.3Å |
| 209 | M | 81.4 | Confident | 78.6 | Confident | 130 Ų | 130 | 93.8 Ų | 93.8 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 33.2 | -171.2 | -62.5 | -133.1 | 72.5 | 0 | 0 | 113.6 | N204 D206 A207 | N204-M209 HydrophobicContact CB-CE 4.2Å; N204-M209 WeakPolarHBondContact O-CE 3.34Å; D206-M209 PolarHBondContact O-N 3.03Å; A207-M209 VanDerWaalsContact C-N 3.34Å |
| 210 | G | 78.9 | Confident | 77.3 | Confident | 25 Ų | 25 | 100 Ų | 100 | 26% | 0.258 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 9.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q203 S208 S213 | Q203-G210 WeakPolarHBondContact O-CA 3.47Å; S208-G210 PolarHBondContact O-N 3.44Å; G210-S213 WeakPolarHBondContact CA-OG 3.47Å; G210-S213 PolarHBondContact O-OG 3.23Å; G210-S213 VanDerWaalsContact O-OG 3.07Å |
| 211 | R | 81.4 | Confident | 75.9 | Confident | 216 Ų | 216 | 102 Ų | 102 | 82% | 0.815 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -72.3 | -35.5 | 178.9 | -73.3 | -174.2 | 150.8 | -160.2 | -6.8 | 113.5 | S208 | S208-R211 VanDerWaalsContact O-CB 3.28Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 VanDerWaalsContact O-CG 3.3Å; S208-R211 WeakPolarHBondContact O-CG 3.36Å; S208-R211 PolarHBondContact O-N 3.38Å; S208-R211 VanDerWaalsContact O-N 3.1Å; S208-R211 PolarHBondContact OG-N 2.95Å |
| 212 | F | 83.1 | Confident | 74.3 | Confident | 182 Ų | 182 | 102.8 Ų | 102.8 | 80% | 0.798 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -108.6 | -2.3 | -178.3 | -57.3 | -61.1 | 0 | 0 | 0 | 113.2 | S208 | S208-F212 PolarHBondContact OG-N 3.3Š|
| 213 | S | 81.9 | Confident | 72.5 | Confident | 50 Ų | 50 | 105.7 Ų | 105.7 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -72 | 135.2 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | G210 | G210-S213 WeakPolarHBondContact CA-OG 3.47Å; G210-S213 PolarHBondContact O-OG 3.23Å; G210-S213 VanDerWaalsContact O-OG 3.07Å |
| 214 | A | 83.1 | Confident | 70.8 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 69% | 0.694 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V216 | A214-V216 PolarHBondContact O-N 3.1Å; A214-V216 VanDerWaalsContact O-N 3.15Å |
| 215 | P | 78 | Confident | 69 | Low | 126 Ų | 126 | 109.4 Ų | 109.4 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61 | 123.1 | 179.8 | 24.5 | -32.6 | 0 | 0 | 0 | 109.1 | D217 | P215-D217 PolarHBondContact O-N 3.08Š|
| 216 | V | 74.7 | Confident | 67.1 | Low | 70 Ų | 70 | 112.2 Ų | 112.2 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 128.5 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | F199 A214 N218 | F199-V216 HydrophobicContact CE2-CB 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.79Å; F199-V216 HydrophobicContact CE2-CG2 4.1Å; F199-V216 HydrophobicContact CZ-CB 3.75Å; F199-V216 HydrophobicContact CZ-CG1 3.68Å; F199-V216 HydrophobicContact CZ-CG2 4.03Å; A214-V216 PolarHBondContact O-N 3.1Å; A214-V216 VanDerWaalsContact O-N 3.15Å; V216-N218 PolarHBondContact O-N 3.14Å; V216-N218 PolarHBondContact O-OD1 3.26Å |
| 217 | D | 70.3 | Confident | 65.3 | Low | 96 Ų | 96 | 117.2 Ų | 117.2 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | trans | -59.8 | 96.6 | 177.2 | -99.3 | -28.8 | 0 | 0 | 0 | 111.4 | P215 R219 K220 | P215-D217 PolarHBondContact O-N 3.08Å; D217-R219 PolarHBondContact O-N 3.45Å; D217-K220 PolarHBondContact O-N 3.09Å; D217-K220 VanDerWaalsContact O-N 3.15Å | ||
| 218 | N | 64.6 | Low | 63.1 | Low | 103 Ų | 103 | 123 Ų | 123 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -4.9 | 174.3 | -67.9 | -30.4 | 0 | 0 | 0 | 113.3 | V216 L221 | V216-N218 PolarHBondContact O-N 3.14Å; V216-N218 PolarHBondContact O-OD1 3.26Å; N218-L221 VanDerWaalsContact O-O 3.12Å |
| 219 | R | 54 | Low | 61.1 | Low | 203 Ų | 203 | 127.3 Ų | 127.3 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -26.4 | 176.7 | -58.1 | 177.8 | -167.9 | 170 | 4.4 | 112.8 | D217 | D217-R219 PolarHBondContact O-N 3.45Š|
| 220 | K | 53.1 | Low | 59.5 | Low | 191 Ų | 191 | 130.2 Ų | 130.2 | 83% | 0.83 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -17.9 | 173.8 | -66.6 | -175.6 | -179.1 | 177.9 | 0 | 112.6 | D217 S222 | D217-K220 PolarHBondContact O-N 3.09Å; D217-K220 VanDerWaalsContact O-N 3.15Å; K220-S222 PolarHBondContact O-N 2.79Å |
| 221 | L | 51.6 | Low | 58.2 | Low | 88 Ų | 88 | 138.5 Ų | 138.5 | 46% | 0.461 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -83.8 | 89.4 | 168.6 | -73.1 | 153.4 | 0 | 0 | 0 | 107.6 | F199 N218 K223 | F199-L221 HydrophobicContact CE1-CD1 3.83Å; F199-L221 HydrophobicContact CE2-CD1 4.28Å; F199-L221 HydrophobicContact CZ-CD1 3.69Å; N218-L221 VanDerWaalsContact O-O 3.12Å; L221-K223 PolarHBondContact O-N 2.66Å; L221-K223 VanDerWaalsContact O-N 3.1Å |
| 222 | S | 45.3 | Very low | 57 | Low | 72 Ų | 72 | 139.7 Ų | 139.7 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | -25.3 | 112.8 | -176.2 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | K220 N224 | K220-S222 PolarHBondContact O-N 2.79Å; S222-N224 PolarHBondContact O-N 2.87Å | ||
| 223 | K | 46.1 | Very low | 56.1 | Low | 128 Ų | 128 | 136 Ų | 136 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -61.3 | 10 | 172.1 | -74.1 | -175.3 | 173.5 | -171.9 | 0 | 114.5 | L221 V225 E226 | L221-K223 PolarHBondContact O-N 2.66Å; L221-K223 VanDerWaalsContact O-N 3.1Å; K223-V225 PolarHBondContact O-N 3.21Å; K223-E226 PolarHBondContact O-N 3.46Å |
| 224 | N | 46 | Very low | 55.4 | Low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 12.5 | 174.5 | -66.3 | -17.3 | 0 | 0 | 0 | 113.6 | S222 | S222-N224 PolarHBondContact O-N 2.87Š|
| 225 | V | 44.3 | Very low | 54.5 | Low | 83 Ų | 83 | 139.6 Ų | 139.6 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.1 | 29.1 | 163.4 | -158 | 0 | 0 | 0 | 0 | 111.2 | K223 K227 | K223-V225 PolarHBondContact O-N 3.21Å; V225-K227 PolarHBondContact O-N 2.7Å |
| 226 | E | 41.4 | Very low | 54.3 | Low | 145 Ų | 145 | 137.1 Ų | 137.1 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -64.8 | 87 | 144.6 | -79.9 | 178.5 | -169.5 | 0 | 0 | 106.3 | K223 R228 | K223-E226 PolarHBondContact O-N 3.46Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.31Å | ||
| 227 | K | 41.8 | Very low | 53.9 | Low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 67% | 0.667 | S | S | * | * | trans | -50.6 | 107.8 | 156.3 | -77.2 | 179.7 | -179.7 | 174.5 | 0 | 104.1 | V225 S229 | V225-K227 PolarHBondContact O-N 2.7Å; K227-S229 VanDerWaalsContact C-N 3.3Å; K227-S229 PolarHBondContact O-N 3.2Å | ||
| 228 | R | 38.7 | Very low | 53.7 | Low | 231 Ų | 231 | 137.4 Ų | 137.4 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | trans | -38.2 | 107.5 | 156.1 | -75.5 | -179.2 | 169.6 | -172.7 | -3.2 | 104.7 | E226 K230 | E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.31Å; R228-K230 PolarHBondContact O-N 2.97Å | ||
| 229 | S | 43.8 | Very low | 53.9 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | trans | -61.2 | 96.6 | 165 | 60.4 | 0 | 0 | 0 | 0 | 102.6 | K227 K231 | K227-S229 VanDerWaalsContact C-N 3.3Å; K227-S229 PolarHBondContact O-N 3.2Å; S229-K231 PolarHBondContact O-N 3.21Å | ||
| 230 | K | 48.3 | Very low | 54.5 | Low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 64% | 0.644 | S | S | * | * | trans | -55.7 | 113.4 | 170.2 | -70.4 | -177.4 | 179.9 | -179.9 | 0 | 102.7 | R228 R232 | R228-K230 PolarHBondContact O-N 2.97Å; K230-R232 PolarHBondContact O-N 3.28Å | ||
| 231 | K | 50.9 | Low | 55.2 | Low | 199 Ų | 199 | 125.9 Ų | 125.9 | 87% | 0.865 | 63% | 0.626 | S | S | * | * | trans | -39.6 | 118.2 | 172.8 | -78 | -177.1 | 175.1 | -178.5 | 0 | 106 | S229 I233 | S229-K231 PolarHBondContact O-N 3.21Å; K231-I233 PolarHBondContact O-N 2.84Å | ||
| 232 | R | 56.7 | Low | 55.9 | Low | 242 Ų | 242 | 124.7 Ų | 124.7 | 91% | 0.913 | 62% | 0.623 | S | S | * | * | trans | -56.1 | 111.8 | -177.6 | -68.6 | 177.3 | 89.8 | -179.6 | 6.3 | 105.7 | K230 | K230-R232 PolarHBondContact O-N 3.28Š| ||
| 233 | I | 64.3 | Low | 57 | Low | 105 Ų | 105 | 128 Ų | 128 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | trans | -58.7 | 124.9 | 172.1 | -59.2 | 169.2 | 0 | 0 | 0 | 105.1 | K231 L235 Q237 V238 | K231-I233 PolarHBondContact O-N 2.84Å; I233-L235 PolarHBondContact O-N 2.94Å; I233-Q237 HydrophobicContact CG2-CB 3.42Å; I233-Q237 VanDerWaalsContact CG2-CB 3.42Å; I233-Q237 HydrophobicContact CG2-CG 4.44Å; I233-V238 HydrophobicContact CB-CG2 4.28Å; I233-V238 HydrophobicContact CG2-CG2 4.11Å | ||
| 234 | P | 67.6 | Low | 58.1 | Low | 73 Ų | 73 | 129 Ų | 129 | 47% | 0.474 | 63% | 0.632 | S | S | . | * | trans | -56.4 | 142.4 | 179.5 | 19.8 | -29.2 | 0 | 0 | 0 | 109.8 | S236 Q237 | P234-S236 PolarHBondContact O-N 2.85Å; P234-Q237 PolarHBondContact O-N 3.32Å | ||
| 235 | L | 63.3 | Low | 59.3 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -52.4 | -29.6 | -173.1 | -172.8 | 62.8 | 0 | 0 | 0 | 112.5 | I233 Q237 V238 V239 | I233-L235 PolarHBondContact O-N 2.94Å; L235-Q237 PolarHBondContact O-N 3.34Å; L235-V238 PolarHBondContact O-N 2.61Å; L235-V239 WeakPolarHBondContact O-CG2 3.28Å; L235-V239 PolarHBondContact O-N 3Å |
| 236 | S | 73.1 | Confident | 60.6 | Low | 74 Ų | 74 | 127.8 Ų | 127.8 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -57.8 | -40.4 | 174 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | P234 Q240 | P234-S236 PolarHBondContact O-N 2.85Å; S236-Q240 WeakPolarHBondContact O-CG 3.4Å; S236-Q240 PolarHBondContact O-N 3.11Å |
| 237 | Q | 67.5 | Low | 62.1 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77 | -28.6 | 178.8 | -82.2 | -178.8 | -11 | 0 | 0 | 112.6 | I233 P234 L235 S241 | I233-Q237 HydrophobicContact CG2-CB 3.42Å; I233-Q237 VanDerWaalsContact CG2-CB 3.42Å; I233-Q237 HydrophobicContact CG2-CG 4.44Å; P234-Q237 PolarHBondContact O-N 3.32Å; L235-Q237 PolarHBondContact O-N 3.34Å; Q237-S241 PolarHBondContact O-N 3.38Å; Q237-S241 VanDerWaalsContact O-N 3.13Å; Q237-S241 PolarHBondContact O-OG 3.46Å |
| 238 | V | 65 | Low | 63.6 | Low | 62 Ų | 62 | 123.9 Ų | 123.9 | 38% | 0.376 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.3 | -39 | 173.2 | 176.5 | 0 | 0 | 0 | 0 | 111 | I233 L235 S241 T242 | I233-V238 HydrophobicContact CB-CG2 4.28Å; I233-V238 HydrophobicContact CG2-CG2 4.11Å; L235-V238 PolarHBondContact O-N 2.61Å; V238-S241 PolarHBondContact O-OG 3.47Å; V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 2.84Å; V238-T242 VanDerWaalsContact O-N 3.14Å; V238-T242 PolarHBondContact O-OG1 2.89Å |
| 239 | V | 68.3 | Low | 65.2 | Low | 62 Ų | 62 | 120.1 Ų | 120.1 | 38% | 0.376 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.2 | -37.5 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | L235 T242 K243 | L235-V239 WeakPolarHBondContact O-CG2 3.28Å; L235-V239 PolarHBondContact O-N 3Å; V239-T242 WeakPolarHBondContact CA-OG1 3.35Å; V239-T242 PolarHBondContact O-OG1 3.15Å; V239-K243 HydrophobicContact CG1-CD 4.33Å; V239-K243 WeakPolarHBondContact O-CB 3.3Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 3.36Å; V239-K243 VanDerWaalsContact O-N 3.08Å |
| 240 | Q | 68.6 | Low | 66.5 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.9 | -39.6 | 177.1 | -73.7 | -179.6 | -0.3 | 0 | 0 | 113.2 | S236 K243 K244 | S236-Q240 WeakPolarHBondContact O-CG 3.4Å; S236-Q240 PolarHBondContact O-N 3.11Å; Q240-K243 PolarHBondContact O-N 3.48Å; Q240-K244 PolarHBondContact O-N 3.45Å |
| 241 | S | 66.1 | Low | 67.5 | Low | 65 Ų | 65 | 116.7 Ų | 116.7 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.9 | -35.5 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | Q237 V238 S245 | Q237-S241 PolarHBondContact O-N 3.38Å; Q237-S241 VanDerWaalsContact O-N 3.13Å; Q237-S241 PolarHBondContact O-OG 3.46Å; V238-S241 PolarHBondContact O-OG 3.47Å; S241-S245 WeakPolarHBondContact O-CB 3.22Å; S241-S245 PolarHBondContact O-N 3.37Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 3.05Å |
| 242 | T | 68 | Low | 68.5 | Low | 64 Ų | 64 | 110 Ų | 110 | 39% | 0.393 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.5 | -33.9 | 174 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | V238 V239 S245 K246 | V238-T242 WeakPolarHBondContact O-CG2 3.4Å; V238-T242 PolarHBondContact O-N 2.84Å; V238-T242 VanDerWaalsContact O-N 3.14Å; V238-T242 PolarHBondContact O-OG1 2.89Å; V239-T242 WeakPolarHBondContact CA-OG1 3.35Å; V239-T242 PolarHBondContact O-OG1 3.15Å; T242-S245 WeakPolarHBondContact CA-OG 3.32Å; T242-S245 PolarHBondContact O-OG 3.47Å; T242-S245 VanDerWaalsContact O-OG 3.09Å; T242-K246 WeakPolarHBondContact O-CB 3.28Å; T242-K246 WeakPolarHBondContact O-CG 3.37Å; T242-K246 PolarHBondContact O-N 3.4Å |
| 243 | K | 67.5 | Low | 69 | Low | 142 Ų | 142 | 106.1 Ų | 106.1 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -48.3 | 171.9 | -75.9 | -177.8 | 179.5 | -176.4 | 0 | 112.3 | V239 Q240 S245 K246 Q247 | V239-K243 HydrophobicContact CG1-CD 4.33Å; V239-K243 WeakPolarHBondContact O-CB 3.3Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 3.36Å; V239-K243 VanDerWaalsContact O-N 3.08Å; Q240-K243 PolarHBondContact O-N 3.48Å; K243-S245 PolarHBondContact O-N 3.25Å; K243-K246 PolarHBondContact O-N 3Å; K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 3.47Å |
| 244 | K | 69.5 | Low | 68.9 | Low | 149 Ų | 149 | 107.9 Ų | 107.9 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 177.5 | -81.3 | -177 | 176.6 | 178.9 | 0 | 112.7 | Q240 Q247 N248 | Q240-K244 PolarHBondContact O-N 3.45Å; K244-Q247 PolarHBondContact O-N 2.92Å; K244-N248 PolarHBondContact O-N 3.23Å |
| 245 | S | 70.5 | Confident | 68.7 | Low | 63 Ų | 63 | 108.6 Ų | 108.6 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.8 | -36.1 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | S241 T242 K243 K249 | S241-S245 WeakPolarHBondContact O-CB 3.22Å; S241-S245 PolarHBondContact O-N 3.37Å; S241-S245 VanDerWaalsContact O-N 3.08Å; S241-S245 PolarHBondContact O-OG 3.05Å; T242-S245 WeakPolarHBondContact CA-OG 3.32Å; T242-S245 PolarHBondContact O-OG 3.47Å; T242-S245 VanDerWaalsContact O-OG 3.09Å; K243-S245 PolarHBondContact O-N 3.25Å; S245-K249 PolarHBondContact O-N 3.46Å; S245-K249 VanDerWaalsContact O-N 3.15Å |
| 246 | K | 71.8 | Confident | 68.5 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 65% | 0.652 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 171.5 | -77.4 | 179.9 | 178.7 | 178.6 | 0 | 111.7 | T242 K243 K249 L250 | T242-K246 WeakPolarHBondContact O-CB 3.28Å; T242-K246 WeakPolarHBondContact O-CG 3.37Å; T242-K246 PolarHBondContact O-N 3.4Å; K243-K246 PolarHBondContact O-N 3Å; K246-K249 PolarHBondContact O-N 2.94Å; K246-L250 VanDerWaalsContact O-CD1 3.24Å; K246-L250 WeakPolarHBondContact O-CD1 3.46Å; K246-L250 PolarHBondContact O-N 2.73Å |
| 247 | Q | 72.4 | Confident | 67.7 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -43.2 | 179.3 | -149.5 | 166.5 | 7.1 | 0 | 0 | 111.7 | K243 K244 K249 L250 M251 | K243-Q247 WeakPolarHBondContact O-CB 3.45Å; K243-Q247 PolarHBondContact O-N 3.47Å; K244-Q247 PolarHBondContact O-N 2.92Å; Q247-K249 PolarHBondContact O-N 2.87Å; Q247-L250 PolarHBondContact O-N 3.19Å; Q247-M251 WeakPolarHBondContact O-CG 3.4Å; Q247-M251 PolarHBondContact O-N 3.37Å |
| 248 | N | 73.6 | Confident | 67.2 | Low | 115 Ų | 115 | 115 Ų | 115 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -34.7 | 175.1 | -73.5 | -1.2 | 0 | 0 | 0 | 113.1 | K244 S252 | K244-N248 PolarHBondContact O-N 3.23Å; N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.08Å; N248-S252 VanDerWaalsContact O-N 3.11Å; N248-S252 PolarHBondContact O-OG 2.86Å |
| 249 | K | 72.9 | Confident | 66.8 | Low | 151 Ų | 151 | 120.6 Ų | 120.6 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -33.8 | 173.2 | -88.2 | -177.9 | 176.4 | 178.5 | 0 | 113.1 | S245 K246 Q247 S252 K253 | S245-K249 PolarHBondContact O-N 3.46Å; S245-K249 VanDerWaalsContact O-N 3.15Å; K246-K249 PolarHBondContact O-N 2.94Å; Q247-K249 PolarHBondContact O-N 2.87Å; K249-S252 WeakPolarHBondContact CA-OG 3.45Å; K249-S252 PolarHBondContact O-OG 3.05Å; K249-S252 VanDerWaalsContact O-OG 3.13Å; K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.07Å |
| 250 | L | 71.1 | Confident | 66.2 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.8 | -40.3 | 174.2 | -93.8 | 99.6 | 0 | 0 | 0 | 112.2 | K246 Q247 K253 K254 | K246-L250 VanDerWaalsContact O-CD1 3.24Å; K246-L250 WeakPolarHBondContact O-CD1 3.46Å; K246-L250 PolarHBondContact O-N 2.73Å; Q247-L250 PolarHBondContact O-N 3.19Å; L250-K253 PolarHBondContact O-N 3.15Å; L250-K254 PolarHBondContact O-N 3.08Å |
| 251 | M | 69 | Low | 65.6 | Low | 118 Ų | 118 | 124 Ų | 124 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.1 | -43 | 177.9 | -69.6 | -63 | -74.2 | 0 | 0 | 111.9 | Q247 K253 K254 T255 | Q247-M251 WeakPolarHBondContact O-CG 3.4Å; Q247-M251 PolarHBondContact O-N 3.37Å; M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.39Å; M251-K254 PolarHBondContact O-N 3.35Å; M251-T255 WeakPolarHBondContact O-CG2 3.3Å; M251-T255 PolarHBondContact O-N 3.27Å; M251-T255 VanDerWaalsContact O-N 3.1Å; M251-T255 PolarHBondContact O-OG1 2.87Å |
| 252 | S | 71.4 | Confident | 65.1 | Low | 58 Ų | 58 | 125.2 Ų | 125.2 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.9 | -26.6 | 176.3 | 53.8 | 0 | 0 | 0 | 0 | 114 | N248 K249 T255 K256 | N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.08Å; N248-S252 VanDerWaalsContact O-N 3.11Å; N248-S252 PolarHBondContact O-OG 2.86Å; K249-S252 WeakPolarHBondContact CA-OG 3.45Å; K249-S252 PolarHBondContact O-OG 3.05Å; K249-S252 VanDerWaalsContact O-OG 3.13Å; S252-T255 PolarHBondContact O-OG1 2.86Å; S252-K256 PolarHBondContact O-N 2.66Å |
| 253 | K | 66.9 | Low | 64.4 | Low | 162 Ų | 162 | 133.3 Ų | 133.3 | 70% | 0.704 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -36.7 | 171.7 | -80 | -175.6 | 176.1 | -173.7 | 0 | 112.4 | K249 L250 M251 K257 | K249-K253 WeakPolarHBondContact O-CG 3.28Å; K249-K253 PolarHBondContact O-N 3.07Å; L250-K253 PolarHBondContact O-N 3.15Å; M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.39Å; K253-K257 PolarHBondContact O-N 3.06Å; K253-K257 VanDerWaalsContact O-N 3.17Å |
| 254 | K | 63.4 | Low | 63.7 | Low | 142 Ų | 142 | 132.6 Ų | 132.6 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.6 | -39.9 | 176.2 | -77.1 | -171.9 | 175.1 | -174.1 | 0 | 112.3 | L250 M251 K256 K257 N258 | L250-K254 PolarHBondContact O-N 3.08Å; M251-K254 PolarHBondContact O-N 3.35Å; K254-K256 PolarHBondContact O-N 3.34Å; K254-K257 PolarHBondContact O-N 3.03Å; K254-N258 PolarHBondContact O-N 3.24Å; K254-N258 VanDerWaalsContact O-N 3.16Å |
| 255 | T | 62.4 | Low | 63 | Low | 88 Ų | 88 | 130.4 Ų | 130.4 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.5 | -32.8 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 113 | M251 S252 K259 | M251-T255 WeakPolarHBondContact O-CG2 3.3Å; M251-T255 PolarHBondContact O-N 3.27Å; M251-T255 VanDerWaalsContact O-N 3.1Å; M251-T255 PolarHBondContact O-OG1 2.87Å; S252-T255 PolarHBondContact O-OG1 2.86Å; T255-K259 PolarHBondContact O-N 3.38Å |
| 256 | K | 58.9 | Low | 62 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.6 | -31.3 | 172.6 | -78.3 | -173.5 | 176.6 | -174.8 | 0 | 113.4 | S252 K254 | S252-K256 PolarHBondContact O-N 2.66Å; K254-K256 PolarHBondContact O-N 3.34Å |
| 257 | K | 57.1 | Low | 61.2 | Low | 168 Ų | 168 | 139.7 Ų | 139.7 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.9 | -36.3 | 179.1 | -142.8 | 175.6 | -176.7 | -175.8 | 0 | 112.3 | K253 K254 M260 | K253-K257 PolarHBondContact O-N 3.06Å; K253-K257 VanDerWaalsContact O-N 3.17Å; K254-K257 PolarHBondContact O-N 3.03Å; K257-M260 PolarHBondContact O-N 3.31Å |
| 258 | N | 57.4 | Low | 59.7 | Low | 122 Ų | 122 | 146.6 Ų | 146.6 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -75.9 | -23.3 | 176.9 | -76.7 | 8.6 | 0 | 0 | 0 | 114.1 | K254 M260 S261 | K254-N258 PolarHBondContact O-N 3.24Å; K254-N258 VanDerWaalsContact O-N 3.16Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-S261 PolarHBondContact O-OG 3.1Å |
| 259 | K | 56 | Low | 59 | Low | 180 Ų | 180 | 148.2 Ų | 148.2 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -16.2 | 174.3 | -99.7 | -174.9 | 174.4 | -175.7 | 0 | 114.1 | T255 | T255-K259 PolarHBondContact O-N 3.38Š|
| 260 | M | 55.7 | Low | 58.2 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -93.1 | -13.5 | -179.9 | -70.7 | -77.5 | -70.8 | 0 | 0 | 113.2 | K257 N258 | K257-M260 PolarHBondContact O-N 3.31Å; N258-M260 VanDerWaalsContact C-N 3.32Å |
| 261 | S | 56.8 | Low | 57.5 | Low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -95.1 | -5.8 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | N258 | N258-S261 PolarHBondContact O-OG 3.1Š|
| 262 | S | 56 | Low | 56.8 | Low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -104.8 | 76.6 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 263 | R | 53.2 | Low | 55.9 | Low | 234 Ų | 234 | 157.9 Ų | 157.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -95.1 | 129.3 | 162.1 | -105.6 | -178.3 | 168.3 | -173.2 | -3.4 | 108 | S265 | R263-S265 PolarHBondContact O-N 3.22Š| ||
| 264 | P | 52.6 | Low | 55.2 | Low | 127 Ų | 127 | 157.6 Ų | 157.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -80.9 | 119.7 | -175.5 | 31.8 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 265 | S | 53.3 | Low | 54.6 | Low | 104 Ų | 104 | 158.7 Ų | 158.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 111.5 | 165.9 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | R263 K267 | R263-S265 PolarHBondContact O-N 3.22Å; S265-K267 PolarHBondContact O-N 3.18Å | ||
| 266 | K | 51 | Low | 54 | Low | 215 Ų | 215 | 164.2 Ų | 164.2 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -64.8 | 123 | 163.9 | -79.1 | 179 | 172.9 | -179.9 | 0 | 108.8 | ||||
| 267 | K | 54.6 | Low | 53.6 | Low | 192 Ų | 192 | 164.3 Ų | 164.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -110 | 135.2 | 172 | -88.5 | -173.7 | 174 | -175.3 | 0 | 109.8 | S265 | S265-K267 PolarHBondContact O-N 3.18Š| ||
| 268 | K | 39.5 | Very low | 53.3 | Low | 278 Ų | 278 | 163.9 Ų | 163.9 | 100% | 1.209 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 0 | 139.9 | -87.3 | -174.3 | 175.8 | -177.3 | 0 | 107.7 |
Retrieved 268 of 268 residues in 121.6 ms
(Link to these results)