| 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 | 32.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | 0 | 150.2 | 0 | -55.1 | -176.9 | -169 | 0 | 0 | 112.1 | A1374 E1375 M1378 | M1-A1374 HydrophobicContact CE-CB 4.13Å; M1-E1375 WeakPolarHBondContact CA-OE1 3.4Å; M1-E1375 HydrophobicContact CE-CG 3.6Å; M1-E1375 HydrophobicContact CG-CG 3.88Å; M1-E1375 WeakPolarHBondContact CG-OE1 3.46Å; M1-E1375 PolarHBondContact N-OE1 3.02Å; M1-M1378 HydrophobicContact CE-CE 3.57Å; M1-M1378 HydrophobicContact CG-CE 4.27Å; M1-M1378 HydrophobicContact SD-CE 3.79Å | |||
| 2 | K | 31.6 | Very low | 37.5 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | trans | -130.8 | 92.8 | 170.7 | -72.5 | -178.8 | 177.6 | -180 | 0 | 109.4 | ||||
| 3 | L | 33 | Very low | 40.5 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 71% | 0.707 | 74% | 0.743 | S | S | * | * | trans | -141.3 | 7.3 | -167.3 | -115 | 157.5 | 0 | 0 | 0 | 117 | ||||
| 4 | F | 37.9 | Very low | 43.6 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -110.2 | -0.7 | -179.5 | -92.2 | -77.9 | 0 | 0 | 0 | 116.1 | C6 | F4-C6 PolarHBondContact O-N 3.27Å; F4-C6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | N | 35.7 | Very low | 46.6 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 88% | 0.882 | 67% | 0.668 | S | S | * | * | trans | -80.5 | 17 | -176.6 | -72 | 21 | 0 | 0 | 0 | 114.8 | ||||
| 6 | C | 30.6 | Very low | 49.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | trans | -123.9 | 36 | -169 | -65.8 | 0 | 0 | 0 | 0 | 115.1 | F4 | F4-C6 PolarHBondContact O-N 3.27Å; F4-C6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | V | 34.2 | Very low | 51.9 | Low | 116 Ų | 116 | 122 Ų | 122 | 70% | 0.703 | 61% | 0.605 | S | S | * | * | trans | -126.3 | 84.9 | 161.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | P | 29.9 | Very low | 54 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | trans | -77 | 129.6 | -179.5 | 28.6 | -32.8 | 0 | 0 | 0 | 113.5 | F10 | P8-F10 PolarHBondContact O-N 2.76Š| ||
| 9 | L | 37.6 | Very low | 55.9 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 80% | 0.796 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 72.1 | -17.7 | 145.4 | -58.4 | 170.5 | 0 | 0 | 0 | 121.5 | ||
| 10 | F | 40.3 | Very low | 57.6 | Low | 189 Ų | 189 | 111.6 Ų | 111.6 | 83% | 0.829 | 55% | 0.552 | S | S | * | * | trans | -103.7 | -16.5 | -166.7 | -79.3 | -81.4 | 0 | 0 | 0 | 119 | P8 R12 | P8-F10 PolarHBondContact O-N 2.76Å; F10-R12 PolarHBondContact O-N 3.29Å | ||
| 11 | T | 47.5 | Very low | 59 | Low | 91 Ų | 91 | 108.7 Ų | 108.7 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | trans | -91.1 | 78.5 | -178.5 | 50 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | R | 58.9 | Low | 61.5 | Low | 218 Ų | 218 | 105.5 Ų | 105.5 | 82% | 0.823 | 53% | 0.527 | S | S | * | . | trans | -86 | -0.7 | 178.8 | -68.7 | -167.6 | -177.7 | -164.8 | 1.8 | 115.5 | F10 | F10-R12 PolarHBondContact O-N 3.29Š| ||
| 13 | Y | 76.7 | Confident | 64 | Low | 146 Ų | 146 | 98.2 Ų | 98.2 | 57% | 0.573 | 50% | 0.498 | S | S | * | . | trans | -131.3 | 113.6 | -172.7 | -155.1 | -91.9 | 0 | 0 | 0 | 110.3 | E15 | Y13-E15 HydrophobicContact CD1-CG 4.35Å; Y13-E15 HydrophobicContact CE1-CG 3.69Å; Y13-E15 WeakPolarHBondContact CE1-OE1 3.44Å; Y13-E15 PolarHBondContact OH-OE1 2.55Å | ||
| 14 | V | 83.4 | Confident | 66.6 | Low | 35 Ų | 35 | 93.5 Ų | 93.5 | 21% | 0.212 | 47% | 0.474 | C | S | . | . | trans | -147 | 120.8 | 177 | 178 | 0 | 0 | 0 | 0 | 107.3 | L17 Y34 S37 L38 | V14-L17 HydrophobicContact CG1-CB 4.4Å; V14-Y34 HydrophobicContact CB-CD1 3.76Å; V14-Y34 HydrophobicContact CB-CD2 4.47Å; V14-Y34 HydrophobicContact CB-CE1 4.06Å; V14-Y34 HydrophobicContact CB-CG 4Å; V14-Y34 HydrophobicContact CG2-CD1 3.69Å; V14-Y34 HydrophobicContact CG2-CE1 3.47Å; V14-Y34 VanDerWaalsContact CG2-CE1 3.47Å; V14-Y34 HydrophobicContact CG2-CG 4.34Å; V14-S37 PolarHBondContact N-OG 2.86Å; V14-S37 CarbonylContact O-C 3.46Å; V14-S37 WeakPolarHBondContact O-CB 3.44Å; V14-S37 PolarHBondContact O-OG 2.82Å; V14-L38 HydrophobicContact CG1-CD1 4.06Å; V14-L38 VanDerWaalsContact O-CA 3.3Å; V14-L38 WeakPolarHBondContact O-CA 3.45Å; V14-L38 PolarHBondContact O-N 2.77Å | ||
| 15 | E | 88.7 | Confident | 69.1 | Low | 32 Ų | 32 | 88.4 Ų | 88.4 | 15% | 0.15 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -101.3 | -27.8 | -179.8 | -58.7 | -155.1 | -163.7 | 0 | 0 | 114.1 | Y13 S37 E39 V40 P1068 | Y13-E15 HydrophobicContact CD1-CG 4.35Å; Y13-E15 HydrophobicContact CE1-CG 3.69Å; Y13-E15 WeakPolarHBondContact CE1-OE1 3.44Å; Y13-E15 PolarHBondContact OH-OE1 2.55Å; E15-S37 WeakPolarHBondContact CA-O 3.45Å; E15-S37 WeakPolarHBondContact CG-O 3.47Å; E15-E39 PolarHBondContact O-N 2.96Å; E15-V40 PolarHBondContact O-N 2.85Å; E15-P1068 HydrophobicContact CB-CB 4.28Å; E15-P1068 HydrophobicContact CB-CG 3.66Å; E15-P1068 HydrophobicContact CG-CB 3.78Å; E15-P1068 HydrophobicContact CG-CG 3.74Å; E15-P1068 WeakPolarHBondContact OE1-CB 3.13Å; E15-P1068 VanDerWaalsContact OE2-CB 3.32Å; E15-P1068 WeakPolarHBondContact OE2-CB 3.41Å; E15-P1068 WeakPolarHBondContact OE2-CG 3.44Å |
| 16 | L | 92.6 | Very high | 71.8 | Confident | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.5 | 169.7 | -174.8 | 156.6 | 0 | 0 | 0 | 110.8 | D18 V40 L42 K1065 | L16-D18 HydrophobicContact CD2-CB 4.3Å; L16-V40 WeakPolarHBondContact CA-O 3.37Å; L16-V40 HydrophobicContact CB-CB 4.02Å; L16-V40 HydrophobicContact CD1-CB 3.77Å; L16-V40 HydrophobicContact CD1-CG1 3.58Å; L16-V40 HydrophobicContact CD1-CG2 4.31Å; L16-V40 HydrophobicContact CG-CB 3.71Å; L16-V40 HydrophobicContact CG-CG1 3.75Å; L16-L42 HydrophobicContact CD1-CD1 4.17Å; L16-L42 HydrophobicContact CD2-CD1 4.1Å; L16-L42 HydrophobicContact CG-CD1 4.28Å; L16-K1065 HydrophobicContact CB-CD 4.1Å; L16-K1065 HydrophobicContact CD1-CB 4.24Å; L16-K1065 HydrophobicContact CD1-CD 3.88Å; L16-K1065 HydrophobicContact CD1-CG 4.04Å; L16-K1065 HydrophobicContact CD2-CD 3.84Å; L16-K1065 HydrophobicContact CG-CD 4.14Å |
| 17 | L | 90.4 | Very high | 74.6 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.2 | 175.9 | -179.9 | 57.6 | 0 | 0 | 0 | 110.5 | V14 K19 V31 Y34 L38 V40 L41 L42 | V14-L17 HydrophobicContact CG1-CB 4.4Å; L17-K19 HydrophobicContact CD1-CG 4.11Å; L17-K19 HydrophobicContact CG-CG 4.1Å; L17-V31 HydrophobicContact CD2-CG1 4.46Å; L17-V31 HydrophobicContact CD2-CG2 3.81Å; L17-Y34 HydrophobicContact CD2-CD2 4.29Å; L17-Y34 HydrophobicContact CD2-CE2 4.21Å; L17-L38 HydrophobicContact CB-CD1 3.69Å; L17-L38 HydrophobicContact CB-CD2 4.42Å; L17-V40 PolarHBondContact N-O 2.98Å; L17-L41 HydrophobicContact CB-CD1 4.14Å; L17-L41 HydrophobicContact CD2-CD1 4.09Å; L17-L41 HydrophobicContact CG-CD1 4.18Å; L17-L42 PolarHBondContact O-N 2.81Å; L17-L42 VanDerWaalsContact O-N 3.1Å |
| 18 | D | 90.8 | Very high | 77.1 | Confident | 73 Ų | 73 | 77.3 Ų | 77.3 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.6 | 171 | -175.1 | -3.7 | 0 | 0 | 0 | 110.4 | L16 R20 | L16-D18 HydrophobicContact CD2-CB 4.3Å; D18-R20 VanDerWaalsContact CG-CZ 3.5Å; D18-R20 WeakPolarHBondContact OD1-CB 3.49Å; D18-R20 WeakPolarHBondContact OD1-CG 3.48Å; D18-R20 IonicContact OD1-CZ 2.6Å; D18-R20 PolarHBondContact OD1-N 3.09Å; D18-R20 IonicContact OD1-NE 2.71Å; D18-R20 PolarHBondContact OD1-NE 3.46Å; D18-R20 IonicContact OD1-NH2 2.62Å; D18-R20 IonicContact OD2-CZ 3.59Å; D18-R20 VanDerWaalsContact OD2-CZ 3.26Å; D18-R20 IonicContact OD2-NE 3.96Å; D18-R20 PolarHBondContact OD2-NE 2.69Å; D18-R20 IonicContact OD2-NH2 2.9Å; D18-R20 PolarHBondContact OD2-NH2 2.8Å |
| 19 | K | 89.4 | Confident | 79.6 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | trans | -140.4 | 26.4 | 174.1 | -72.7 | -60.4 | 174.6 | -170.1 | 0 | 112.6 | L17 C22 L24 L42 L43 N46 | L17-K19 HydrophobicContact CD1-CG 4.11Å; L17-K19 HydrophobicContact CG-CG 4.1Å; K19-C22 WeakPolarHBondContact O-CB 3.45Å; K19-L24 HydrophobicContact CB-CD1 3.88Å; K19-L24 HydrophobicContact CG-CD1 4.47Å; K19-L42 CarbonylContact C-O 3.57Å; K19-L42 WeakPolarHBondContact CA-O 3.39Å; K19-L42 PolarHBondContact N-O 3.38Å; K19-L43 HydrophobicContact CB-CD2 3.62Å; K19-N46 PolarHBondContact O-ND2 3.07Å | ||
| 20 | R | 89.4 | Confident | 81.7 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 145.2 | 170.7 | -70.4 | 167.3 | -96.5 | -109.9 | 5.2 | 111.9 | D18 C22 L42 D44 S1125 Q1128 N1129 | D18-R20 VanDerWaalsContact CG-CZ 3.5Å; D18-R20 WeakPolarHBondContact OD1-CB 3.49Å; D18-R20 WeakPolarHBondContact OD1-CG 3.48Å; D18-R20 IonicContact OD1-CZ 2.6Å; D18-R20 PolarHBondContact OD1-N 3.09Å; D18-R20 IonicContact OD1-NE 2.71Å; D18-R20 PolarHBondContact OD1-NE 3.46Å; D18-R20 IonicContact OD1-NH2 2.62Å; D18-R20 IonicContact OD2-CZ 3.59Å; D18-R20 VanDerWaalsContact OD2-CZ 3.26Å; D18-R20 IonicContact OD2-NE 3.96Å; D18-R20 PolarHBondContact OD2-NE 2.69Å; D18-R20 IonicContact OD2-NH2 2.9Å; D18-R20 PolarHBondContact OD2-NH2 2.8Å; R20-C22 PolarHBondContact O-N 2.76Å; R20-C22 PolarHBondContact O-SG 2.98Å; R20-L42 HydrophobicContact CG-CB 4.39Å; R20-L42 PolarHBondContact N-O 3.11Å; R20-L42 VanDerWaalsContact NH1-CD1 3.27Å; R20-D44 WeakPolarHBondContact CA-O 3.42Å; R20-D44 HydrophobicContact CG-CB 4.3Å; R20-S1125 PolarHBondContact NH1-O 2.82Å; R20-Q1128 WeakPolarHBondContact CD-O 3.49Å; R20-Q1128 PolarHBondContact NE-O 3.17Å; R20-Q1128 VanDerWaalsContact NH1-CB 3.28Å; R20-Q1128 VanDerWaalsContact NH2-CG 3.31Å; R20-N1129 VanDerWaalsContact CD-OD1 3.22Å; R20-N1129 WeakPolarHBondContact CD-OD1 3.05Å; R20-N1129 PolarHBondContact NH1-OD1 3.21Å |
| 21 | Q | 87.4 | Confident | 83.9 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29 | 168.1 | -61.6 | -175.8 | 30.4 | 0 | 0 | 114 | N23 D44 S45 N1129 T1132 | Q21-N23 VanDerWaalsContact C-N 3.27Å; Q21-D44 PolarHBondContact N-O 2.99Å; Q21-S45 WeakPolarHBondContact CA-O 3.39Å; Q21-N1129 PolarHBondContact NE2-O 3.35Å; Q21-T1132 HydrophobicContact CB-CG2 4.18Å; Q21-T1132 HydrophobicContact CG-CG2 4.49Å; Q21-T1132 PolarHBondContact OE1-O 3.19Å |
| 22 | C | 86.1 | Confident | 85.6 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 43% | 0.432 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -89.5 | 8.1 | 179 | -74.9 | 0 | 0 | 0 | 0 | 112.2 | K19 R20 L24 N46 | K19-C22 WeakPolarHBondContact O-CB 3.45Å; R20-C22 PolarHBondContact O-N 2.76Å; R20-C22 PolarHBondContact O-SG 2.98Å; C22-L24 VanDerWaalsContact C-N 3.28Å; C22-L24 HydrophobicContact CB-CD1 4.05Å; C22-L24 HydrophobicContact CB-CD2 4.2Å; C22-L24 HydrophobicContact CB-CG 3.74Å; C22-L24 PolarHBondContact O-N 3.08Å; C22-N46 PolarHBondContact N-OD1 2.94Å |
| 23 | N | 84.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | trans | 56.3 | 39.2 | -178.9 | -157.8 | 92.1 | 0 | 0 | 0 | 112.7 | Q21 N46 L1364 | Q21-N23 VanDerWaalsContact C-N 3.27Å; N23-N46 PolarHBondContact N-OD1 3.08Å; N23-L1364 WeakPolarHBondContact OD1-CD1 3.4Å | ||
| 24 | L | 87.6 | Confident | 87.3 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | trans | -82.3 | 124.3 | -175.7 | -61.3 | 176.7 | 0 | 0 | 0 | 111.7 | K19 C22 P28 L43 N46 H47 I48 | K19-L24 HydrophobicContact CB-CD1 3.88Å; K19-L24 HydrophobicContact CG-CD1 4.47Å; C22-L24 VanDerWaalsContact C-N 3.28Å; C22-L24 HydrophobicContact CB-CD1 4.05Å; C22-L24 HydrophobicContact CB-CD2 4.2Å; C22-L24 HydrophobicContact CB-CG 3.74Å; C22-L24 PolarHBondContact O-N 3.08Å; L24-P28 HydrophobicContact CD1-CG 4.14Å; L24-P28 HydrophobicContact CD2-CG 4.42Å; L24-L43 HydrophobicContact CD1-CD2 3.91Å; L24-N46 HydrophobicContact CB-CB 4.23Å; L24-N46 PolarHBondContact N-OD1 3.09Å; L24-H47 CarbonylContact O-C 3.4Å; L24-H47 VanDerWaalsContact O-C 3.22Å; L24-H47 VanDerWaalsContact O-CA 3.31Å; L24-H47 WeakPolarHBondContact O-CA 3.18Å; L24-H47 PolarHBondContact O-N 3Å; L24-I48 HydrophobicContact CB-CG1 4.4Å; L24-I48 PolarHBondContact O-N 3.13Å | ||
| 25 | N | 89.5 | Confident | 87.3 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -82.4 | -18.2 | 174.3 | -59.4 | -41.8 | 0 | 0 | 0 | 113.2 | H47 | N25-H47 WeakPolarHBondContact CA-O 3.2Å; N25-H47 WeakPolarHBondContact OD1-CB 3.43Å |
| 26 | H | 91.8 | Very high | 87.2 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -147.5 | 157.7 | -177.5 | -52.9 | -81.5 | 0 | 0 | 0 | 109.5 | ||
| 27 | V | 91.3 | Very high | 87 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | trans | -67 | 127 | 168.7 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | V31 L43 I48 P52 M55 | V27-V31 HydrophobicContact CG1-CB 4.35Å; V27-V31 HydrophobicContact CG1-CG2 4.01Å; V27-L43 HydrophobicContact CG1-CD1 4.12Å; V27-L43 HydrophobicContact CG2-CD1 4.15Å; V27-I48 HydrophobicContact CG2-CD1 4.28Å; V27-I48 HydrophobicContact CG2-CG2 3.96Å; V27-P52 HydrophobicContact CB-CG 3.92Å; V27-P52 HydrophobicContact CG2-CG 4.26Å; V27-M55 HydrophobicContact CG1-SD 4.01Å; V27-M55 HydrophobicContact CG2-SD 4.17Å | ||
| 28 | P | 85 | Confident | 87.1 | Confident | 33 Ų | 33 | 66.5 Ų | 66.5 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | trans | -63.5 | 137.8 | -179 | -21.9 | 32.9 | 0 | 0 | 0 | 112.6 | L24 E30 V31 | L24-P28 HydrophobicContact CD1-CG 4.14Å; L24-P28 HydrophobicContact CD2-CG 4.42Å; P28-E30 WeakPolarHBondContact CB-OE2 3.48Å; P28-E30 PolarHBondContact O-N 3.33Å; P28-V31 HydrophobicContact CB-CG2 4.26Å; P28-V31 HydrophobicContact CG-CG2 4.49Å; P28-V31 WeakPolarHBondContact O-CB 3.43Å; P28-V31 WeakPolarHBondContact O-CG2 3.45Å; P28-V31 PolarHBondContact O-N 3.34Å; P28-V31 VanDerWaalsContact O-N 3.12Å | ||
| 29 | E | 83.2 | Confident | 87.3 | Confident | 155 Ų | 155 | 65.1 Ų | 65.1 | 72% | 0.724 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -61 | -29.5 | -179.4 | -67.4 | -168.7 | 165.9 | 0 | 0 | 112.6 | V31 T32 | E29-V31 PolarHBondContact O-N 2.98Å; E29-V31 VanDerWaalsContact O-N 3.15Å; E29-T32 WeakPolarHBondContact O-CB 3.41Å; E29-T32 PolarHBondContact O-N 2.61Å; E29-T32 VanDerWaalsContact O-N 3.08Å; E29-T32 PolarHBondContact O-OG1 3.33Å |
| 30 | E | 80.8 | Confident | 87.7 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -58.9 | -25.9 | 178.2 | -63.8 | 79.7 | -174 | 0 | 0 | 113 | P28 T32 R33 | P28-E30 WeakPolarHBondContact CB-OE2 3.48Å; P28-E30 PolarHBondContact O-N 3.33Å; E30-T32 PolarHBondContact O-N 3.15Å; E30-R33 VanDerWaalsContact O-CB 3.25Å; E30-R33 WeakPolarHBondContact O-CB 3.32Å; E30-R33 WeakPolarHBondContact O-CG 3.45Å; E30-R33 PolarHBondContact O-N 2.75Å |
| 31 | V | 86.6 | Confident | 88 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -54.4 | -40 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L17 V27 P28 E29 R33 Y34 L38 L41 L58 | L17-V31 HydrophobicContact CD2-CG1 4.46Å; L17-V31 HydrophobicContact CD2-CG2 3.81Å; V27-V31 HydrophobicContact CG1-CB 4.35Å; V27-V31 HydrophobicContact CG1-CG2 4.01Å; P28-V31 HydrophobicContact CB-CG2 4.26Å; P28-V31 HydrophobicContact CG-CG2 4.49Å; P28-V31 WeakPolarHBondContact O-CB 3.43Å; P28-V31 WeakPolarHBondContact O-CG2 3.45Å; P28-V31 PolarHBondContact O-N 3.34Å; P28-V31 VanDerWaalsContact O-N 3.12Å; E29-V31 PolarHBondContact O-N 2.98Å; E29-V31 VanDerWaalsContact O-N 3.15Å; V31-R33 PolarHBondContact O-N 3.46Å; V31-R33 VanDerWaalsContact O-N 3.14Å; V31-Y34 PolarHBondContact O-N 3.46Å; V31-Y34 VanDerWaalsContact O-N 3.09Å; V31-L38 HydrophobicContact CG1-CD2 3.89Å; V31-L41 HydrophobicContact CG1-CD1 4.2Å; V31-L41 HydrophobicContact CG1-CD2 3.81Å; V31-L58 HydrophobicContact CG1-CD1 3.91Å; V31-L58 HydrophobicContact CG1-CD2 4.29Å; V31-L58 WeakPolarHBondContact O-CD2 3.46Å |
| 32 | T | 83.9 | Confident | 88.3 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -63.2 | -21.6 | -179.4 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | E29 E30 Y34 G35 H54 | E29-T32 WeakPolarHBondContact O-CB 3.41Å; E29-T32 PolarHBondContact O-N 2.61Å; E29-T32 VanDerWaalsContact O-N 3.08Å; E29-T32 PolarHBondContact O-OG1 3.33Å; E30-T32 PolarHBondContact O-N 3.15Å; T32-Y34 PolarHBondContact O-N 3.4Å; T32-G35 PolarHBondContact O-N 3.47Å; T32-H54 HydrophobicContact CG2-CB 3.9Å |
| 33 | R | 84.3 | Confident | 88.8 | Confident | 177 Ų | 177 | 56.8 Ų | 56.8 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.1 | 177.7 | -56.1 | 178.5 | -175.2 | 169.2 | 7.3 | 112.3 | E30 V31 | E30-R33 VanDerWaalsContact O-CB 3.25Å; E30-R33 WeakPolarHBondContact O-CB 3.32Å; E30-R33 WeakPolarHBondContact O-CG 3.45Å; E30-R33 PolarHBondContact O-N 2.75Å; V31-R33 PolarHBondContact O-N 3.46Å; V31-R33 VanDerWaalsContact O-N 3.14Å |
| 34 | Y | 86.2 | Confident | 89.2 | Confident | 42 Ų | 42 | 54 Ų | 54 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -94.6 | 10.3 | -179.9 | -49.1 | -58 | 0 | 0 | 0 | 113.7 | V14 L17 V31 T32 R36 S37 L38 | V14-Y34 HydrophobicContact CB-CD1 3.76Å; V14-Y34 HydrophobicContact CB-CD2 4.47Å; V14-Y34 HydrophobicContact CB-CE1 4.06Å; V14-Y34 HydrophobicContact CB-CG 4Å; V14-Y34 HydrophobicContact CG2-CD1 3.69Å; V14-Y34 HydrophobicContact CG2-CE1 3.47Å; V14-Y34 VanDerWaalsContact CG2-CE1 3.47Å; V14-Y34 HydrophobicContact CG2-CG 4.34Å; L17-Y34 HydrophobicContact CD2-CD2 4.29Å; L17-Y34 HydrophobicContact CD2-CE2 4.21Å; V31-Y34 PolarHBondContact O-N 3.46Å; V31-Y34 VanDerWaalsContact O-N 3.09Å; T32-Y34 PolarHBondContact O-N 3.4Å; Y34-R36 PolarHBondContact O-N 3.32Å; Y34-S37 PolarHBondContact O-N 2.83Å; Y34-S37 PolarHBondContact O-OG 2.72Å; Y34-L38 PolarHBondContact O-N 3.05Å |
| 35 | G | 84.2 | Confident | 89.4 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -1.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | T32 | T32-G35 PolarHBondContact O-N 3.47Š|
| 36 | R | 85.9 | Confident | 89.6 | Confident | 243 Ų | 243 | 49.2 Ų | 49.2 | 92% | 0.917 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.1 | 170.7 | -66.4 | -173.3 | 179.5 | -173.4 | -1 | 114.4 | Y34 | Y34-R36 PolarHBondContact O-N 3.32Š|
| 37 | S | 90 | Very high | 89.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -26 | -174.5 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | V14 E15 Y34 E39 | V14-S37 PolarHBondContact N-OG 2.86Å; V14-S37 CarbonylContact O-C 3.46Å; V14-S37 WeakPolarHBondContact O-CB 3.44Å; V14-S37 PolarHBondContact O-OG 2.82Å; E15-S37 WeakPolarHBondContact CA-O 3.45Å; E15-S37 WeakPolarHBondContact CG-O 3.47Å; Y34-S37 PolarHBondContact O-N 2.83Å; Y34-S37 PolarHBondContact O-OG 2.72Å; S37-E39 PolarHBondContact O-N 3.07Å; S37-E39 VanDerWaalsContact O-N 3.11Å |
| 38 | L | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -72.1 | 109.3 | -169 | -164.1 | 68.8 | 0 | 0 | 0 | 112.3 | V14 L17 V31 Y34 L41 L58 K60 L61 | V14-L38 HydrophobicContact CG1-CD1 4.06Å; V14-L38 VanDerWaalsContact O-CA 3.3Å; V14-L38 WeakPolarHBondContact O-CA 3.45Å; V14-L38 PolarHBondContact O-N 2.77Å; L17-L38 HydrophobicContact CB-CD1 3.69Å; L17-L38 HydrophobicContact CB-CD2 4.42Å; V31-L38 HydrophobicContact CG1-CD2 3.89Å; Y34-L38 PolarHBondContact O-N 3.05Å; L38-L41 HydrophobicContact CD2-CB 4.27Å; L38-L41 HydrophobicContact CD2-CD1 4.34Å; L38-L41 HydrophobicContact CD2-CD2 4.49Å; L38-L58 HydrophobicContact CB-CD2 4.23Å; L38-L58 HydrophobicContact CD2-CD1 4.15Å; L38-L58 HydrophobicContact CD2-CD2 3.99Å; L38-K60 CarbonylContact O-C 3.4Å; L38-L61 HydrophobicContact CG-CD1 4.31Å; L38-L61 WeakPolarHBondContact O-CA 3.29Å; L38-L61 PolarHBondContact O-N 2.99Å | ||
| 39 | E | 95 | Very high | 90 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | trans | -93 | -31.9 | 175.3 | -60 | -147.2 | 152.6 | 0 | 0 | 113 | E15 S37 K60 L61 R62 R63 | E15-E39 PolarHBondContact O-N 2.96Å; S37-E39 PolarHBondContact O-N 3.07Å; S37-E39 VanDerWaalsContact O-N 3.11Å; E39-K60 WeakPolarHBondContact CA-O 3.35Å; E39-L61 CarbonylContact O-C 3.3Å; E39-R62 PolarHBondContact O-N 3.49Å; E39-R62 WeakPolarHBondContact OE2-CD 3.27Å; E39-R62 IonicContact OE2-CZ 2.61Å; E39-R62 IonicContact OE2-NH1 3.7Å; E39-R62 PolarHBondContact OE2-NH1 2.97Å; E39-R63 PolarHBondContact O-N 3.26Å | ||
| 40 | V | 96 | Very high | 90.5 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.3 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | E15 L16 L17 L42 R63 | E15-V40 PolarHBondContact O-N 2.85Å; L16-V40 WeakPolarHBondContact CA-O 3.37Å; L16-V40 HydrophobicContact CB-CB 4.02Å; L16-V40 HydrophobicContact CD1-CB 3.77Å; L16-V40 HydrophobicContact CD1-CG1 3.58Å; L16-V40 HydrophobicContact CD1-CG2 4.31Å; L16-V40 HydrophobicContact CG-CB 3.71Å; L16-V40 HydrophobicContact CG-CG1 3.75Å; L17-V40 PolarHBondContact N-O 2.98Å; V40-L42 HydrophobicContact CG1-CD1 3.85Å; V40-L42 HydrophobicContact CG1-CD2 3.79Å; V40-L42 HydrophobicContact CG1-CG 3.8Å; V40-R63 WeakPolarHBondContact CA-O 3.36Å; V40-R63 HydrophobicContact CG1-CB 4.13Å; V40-R63 HydrophobicContact CG1-CG 4.38Å; V40-R63 HydrophobicContact CG2-CB 4.19Å |
| 41 | L | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.3 | -180 | 179.3 | 58.3 | 0 | 0 | 0 | 110.4 | L17 V31 L38 L43 M55 L58 L61 R63 L64 A65 | L17-L41 HydrophobicContact CB-CD1 4.14Å; L17-L41 HydrophobicContact CD2-CD1 4.09Å; L17-L41 HydrophobicContact CG-CD1 4.18Å; V31-L41 HydrophobicContact CG1-CD1 4.2Å; V31-L41 HydrophobicContact CG1-CD2 3.81Å; L38-L41 HydrophobicContact CD2-CB 4.27Å; L38-L41 HydrophobicContact CD2-CD1 4.34Å; L38-L41 HydrophobicContact CD2-CD2 4.49Å; L41-L43 HydrophobicContact CD1-CD1 3.84Å; L41-L43 HydrophobicContact CD1-CG 3.92Å; L41-L43 HydrophobicContact CD2-CD1 3.75Å; L41-L43 HydrophobicContact CG-CD1 3.64Å; L41-L43 HydrophobicContact CG-CG 4.05Å; L41-M55 HydrophobicContact CD2-CG 4.46Å; L41-M55 HydrophobicContact CD2-SD 3.96Å; L41-L58 HydrophobicContact CD2-CD1 3.99Å; L41-L61 HydrophobicContact CB-CD1 3.68Å; L41-R63 PolarHBondContact N-O 3.04Å; L41-L64 HydrophobicContact CB-CD1 4.26Å; L41-L64 HydrophobicContact CD2-CD1 4.06Å; L41-L64 HydrophobicContact CG-CD1 4.2Å; L41-A65 PolarHBondContact O-N 3Å |
| 42 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 108.1 | -169.9 | -51.3 | 167.4 | 0 | 0 | 0 | 108.2 | L16 L17 K19 R20 V40 A65 | L16-L42 HydrophobicContact CD1-CD1 4.17Å; L16-L42 HydrophobicContact CD2-CD1 4.1Å; L16-L42 HydrophobicContact CG-CD1 4.28Å; L17-L42 PolarHBondContact O-N 2.81Å; L17-L42 VanDerWaalsContact O-N 3.1Å; K19-L42 CarbonylContact C-O 3.57Å; K19-L42 WeakPolarHBondContact CA-O 3.39Å; K19-L42 PolarHBondContact N-O 3.38Å; R20-L42 HydrophobicContact CG-CB 4.39Å; R20-L42 PolarHBondContact N-O 3.11Å; R20-L42 VanDerWaalsContact NH1-CD1 3.27Å; V40-L42 HydrophobicContact CG1-CD1 3.85Å; V40-L42 HydrophobicContact CG1-CD2 3.79Å; V40-L42 HydrophobicContact CG1-CG 3.8Å; L42-A65 HydrophobicContact CD2-CB 3.71Å |
| 43 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -128.7 | 21.4 | -165 | -79.8 | 167.4 | 0 | 0 | 0 | 112.6 | K19 L24 V27 L41 N46 I48 A65 L66 N69 | K19-L43 HydrophobicContact CB-CD2 3.62Å; L24-L43 HydrophobicContact CD1-CD2 3.91Å; V27-L43 HydrophobicContact CG1-CD1 4.12Å; V27-L43 HydrophobicContact CG2-CD1 4.15Å; L41-L43 HydrophobicContact CD1-CD1 3.84Å; L41-L43 HydrophobicContact CD1-CG 3.92Å; L41-L43 HydrophobicContact CD2-CD1 3.75Å; L41-L43 HydrophobicContact CG-CD1 3.64Å; L41-L43 HydrophobicContact CG-CG 4.05Å; L43-N46 VanDerWaalsContact C-ND2 3.28Å; L43-N46 PolarHBondContact O-ND2 2.87Å; L43-I48 HydrophobicContact CB-CD1 3.92Å; L43-I48 HydrophobicContact CD1-CD1 4.35Å; L43-I48 HydrophobicContact CD2-CD1 4.01Å; L43-I48 HydrophobicContact CG-CD1 4.34Å; L43-A65 PolarHBondContact N-O 3.12Å; L43-L66 HydrophobicContact CB-CD2 3.65Å; L43-L66 HydrophobicContact CD1-CD2 3.84Å; L43-L66 HydrophobicContact CG-CD2 4.41Å; L43-N69 PolarHBondContact O-ND2 3.38Å | ||
| 44 | D | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -78.7 | 155.8 | -167.2 | -52.4 | -111.6 | 0 | 0 | 0 | 114.5 | R20 Q21 N46 A65 L66 S67 N1129 | R20-D44 WeakPolarHBondContact CA-O 3.42Å; R20-D44 HydrophobicContact CG-CB 4.3Å; Q21-D44 PolarHBondContact N-O 2.99Å; D44-N46 PolarHBondContact O-ND2 3.05Å; D44-A65 WeakPolarHBondContact OD1-CB 3.18Å; D44-A65 VanDerWaalsContact OD2-C 3.22Å; D44-A65 WeakPolarHBondContact OD2-CB 3.44Å; D44-L66 PolarHBondContact OD1-N 2.98Å; D44-S67 CarbonylContact C-O 3.52Å; D44-S67 VanDerWaalsContact CA-O 3.25Å; D44-S67 WeakPolarHBondContact CA-O 3.34Å; D44-S67 WeakPolarHBondContact OD1-CA 3.47Å; D44-S67 VanDerWaalsContact OD1-CB 3.29Å; D44-S67 WeakPolarHBondContact OD1-CB 3.4Å; D44-S67 PolarHBondContact OD1-N 3.37Å; D44-S67 PolarHBondContact OD1-OG 3.01Å; D44-N1129 HydrophobicContact CB-CB 3.65Å; D44-N1129 PolarHBondContact OD1-ND2 3.14Å; D44-N1129 PolarHBondContact OD2-ND2 3.34Å; D44-N1129 PolarHBondContact OD2-OD1 2.93Å | ||
| 45 | S | 91.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 51.3 | 53.9 | -175.4 | -69.1 | 0 | 0 | 0 | 0 | 112 | Q21 S67 D68 L1133 | Q21-S45 WeakPolarHBondContact CA-O 3.39Å; S45-S67 PolarHBondContact N-O 2.97Å; S45-D68 VanDerWaalsContact CA-O 3.26Å; S45-D68 WeakPolarHBondContact CA-O 3.37Å; S45-D68 WeakPolarHBondContact CB-OD2 3.43Å; S45-D68 PolarHBondContact OG-OD2 2.87Å; S45-L1133 WeakPolarHBondContact OG-CD1 3.21Å |
| 46 | N | 92.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -123.1 | -164.8 | 175.2 | -79.9 | -65.6 | 0 | 0 | 0 | 109.5 | K19 C22 N23 L24 L43 D44 I48 D68 N69 | K19-N46 PolarHBondContact O-ND2 3.07Å; C22-N46 PolarHBondContact N-OD1 2.94Å; N23-N46 PolarHBondContact N-OD1 3.08Å; L24-N46 HydrophobicContact CB-CB 4.23Å; L24-N46 PolarHBondContact N-OD1 3.09Å; L43-N46 VanDerWaalsContact C-ND2 3.28Å; L43-N46 PolarHBondContact O-ND2 2.87Å; D44-N46 PolarHBondContact O-ND2 3.05Å; N46-I48 HydrophobicContact CB-CD1 4.21Å; N46-I48 HydrophobicContact CB-CG1 4.13Å; N46-D68 PolarHBondContact N-O 2.9Å; N46-N69 WeakPolarHBondContact CA-OD1 3.24Å; N46-N69 WeakPolarHBondContact CB-OD1 3.3Å; N46-N69 PolarHBondContact O-OD1 3.17Å |
| 47 | H | 91.7 | Very high | 92 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | trans | -119.3 | 29.6 | -178.9 | -67 | -70.7 | 0 | 0 | 0 | 112.1 | L24 N25 K49 N69 E70 | L24-H47 CarbonylContact O-C 3.4Å; L24-H47 VanDerWaalsContact O-C 3.22Å; L24-H47 VanDerWaalsContact O-CA 3.31Å; L24-H47 WeakPolarHBondContact O-CA 3.18Å; L24-H47 PolarHBondContact O-N 3Å; N25-H47 WeakPolarHBondContact CA-O 3.2Å; N25-H47 WeakPolarHBondContact OD1-CB 3.43Å; H47-K49 WeakPolarHBondContact O-CG 3.45Å; H47-K49 PolarHBondContact O-N 3.14Å; H47-N69 PolarHBondContact N-OD1 3.04Å; H47-E70 IonicContact CE1-OE1 3.14Å; H47-E70 IonicContact CG-OE1 2.76Å; H47-E70 IonicContact ND1-OE1 2.69Å; H47-E70 PolarHBondContact ND1-OE1 2.95Å | ||
| 48 | I | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -72.1 | 123.7 | -175.2 | -58.4 | 167.4 | 0 | 0 | 0 | 109.3 | L24 V27 L43 N46 E50 L66 N69 E70 I71 | L24-I48 HydrophobicContact CB-CG1 4.4Å; L24-I48 PolarHBondContact O-N 3.13Å; V27-I48 HydrophobicContact CG2-CD1 4.28Å; V27-I48 HydrophobicContact CG2-CG2 3.96Å; L43-I48 HydrophobicContact CB-CD1 3.92Å; L43-I48 HydrophobicContact CD1-CD1 4.35Å; L43-I48 HydrophobicContact CD2-CD1 4.01Å; L43-I48 HydrophobicContact CG-CD1 4.34Å; N46-I48 HydrophobicContact CB-CD1 4.21Å; N46-I48 HydrophobicContact CB-CG1 4.13Å; I48-E50 VanDerWaalsContact CG2-O 3.24Å; I48-E50 WeakPolarHBondContact CG2-O 3.35Å; I48-L66 HydrophobicContact CD1-CD2 4.29Å; I48-N69 HydrophobicContact CB-CB 4.44Å; I48-N69 VanDerWaalsContact CB-OD1 3.25Å; I48-N69 WeakPolarHBondContact CB-OD1 3.37Å; I48-N69 WeakPolarHBondContact CG1-OD1 3.45Å; I48-N69 PolarHBondContact N-OD1 2.71Å; I48-E70 CarbonylContact O-C 3.07Å; I48-E70 VanDerWaalsContact O-C 3.25Å; I48-E70 WeakPolarHBondContact O-CA 3.37Å; I48-E70 PolarHBondContact O-N 3.32Å; I48-I71 HydrophobicContact CG2-CG1 4.38Å; I48-I71 VanDerWaalsContact O-CG1 3.24Å; I48-I71 WeakPolarHBondContact O-CG1 3.34Å; I48-I71 PolarHBondContact O-N 3.37Å | ||
| 49 | K | 92.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 42 Ų | 42 | 42% | 0.422 | 19% | 0.194 | S | C | . | . | trans | -97.3 | -22.2 | -174.4 | -51.2 | -164.8 | 178.8 | -129.2 | 0 | 114.5 | H47 E70 H72 | H47-K49 WeakPolarHBondContact O-CG 3.45Å; H47-K49 PolarHBondContact O-N 3.14Å; K49-E70 WeakPolarHBondContact CA-O 3.39Å; K49-E70 WeakPolarHBondContact CE-OE2 3.42Å; K49-E70 HydrophobicContact CG-CB 4.12Å; K49-E70 IonicContact NZ-OE2 2.66Å; K49-E70 PolarHBondContact NZ-OE2 3.14Å; K49-H72 PolarHBondContact O-N 3.11Å | ||
| 50 | E | 93.5 | Very high | 91.7 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 20% | 0.202 | S | C | * | . | trans | -149.3 | 155.4 | -178.2 | 60.3 | 173.5 | -172.4 | 0 | 0 | 111.3 | I48 | I48-E50 VanDerWaalsContact CG2-O 3.24Å; I48-E50 WeakPolarHBondContact CG2-O 3.35Å | ||
| 51 | I | 93 | Very high | 91.7 | Very high | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | trans | -99.4 | 107.4 | 173 | -52.1 | 174.3 | 0 | 0 | 0 | 107.4 | M55 F56 L66 I71 P75 | I51-M55 HydrophobicContact CG2-CB 4.47Å; I51-M55 HydrophobicContact CG2-CE 3.36Å; I51-M55 HydrophobicContact CG2-SD 3.87Å; I51-F56 HydrophobicContact CB-CZ 4.18Å; I51-F56 HydrophobicContact CG2-CE1 4.29Å; I51-F56 HydrophobicContact CG2-CE2 3.92Å; I51-F56 HydrophobicContact CG2-CZ 3.43Å; I51-F56 VanDerWaalsContact CG2-CZ 3.43Å; I51-L66 HydrophobicContact CD1-CD1 3.71Å; I51-L66 HydrophobicContact CG1-CD1 4.1Å; I51-I71 HydrophobicContact CD1-CD1 4.38Å; I51-I71 HydrophobicContact CD1-CG2 4.35Å; I51-I71 HydrophobicContact CG1-CD1 4.06Å; I51-I71 HydrophobicContact CG1-CG2 4.15Å; I51-P75 HydrophobicContact CB-CG 4.46Å | ||
| 52 | P | 91.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 26% | 0.26 | 21% | 0.211 | S | C | . | . | trans | -70 | 140.4 | -170.5 | 26.6 | -33.5 | 0 | 0 | 0 | 111.7 | V27 H54 M55 | V27-P52 HydrophobicContact CB-CG 3.92Å; V27-P52 HydrophobicContact CG2-CG 4.26Å; P52-H54 PolarHBondContact O-N 2.94Å; P52-M55 HydrophobicContact CG-CB 4.43Å; P52-M55 VanDerWaalsContact O-CB 3.25Å; P52-M55 WeakPolarHBondContact O-CB 3.38Å; P52-M55 PolarHBondContact O-N 2.83Å | ||
| 53 | K | 87.2 | Confident | 91.8 | Very high | 135 Ų | 135 | 47.4 Ų | 47.4 | 59% | 0.587 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -53.4 | -26.1 | -175.7 | -69.7 | 179.1 | 178.3 | -91.3 | 0 | 114.4 | M55 F56 E77 | K53-M55 VanDerWaalsContact C-N 3.32Å; K53-M55 PolarHBondContact O-N 3.23Å; K53-F56 WeakPolarHBondContact O-CD2 3.18Å; K53-E77 WeakPolarHBondContact CD-OE1 3.08Å; K53-E77 WeakPolarHBondContact CG-OE1 3.36Å; K53-E77 IonicContact NZ-OE1 3.77Å; K53-E77 PolarHBondContact NZ-OE1 2.85Å; K53-E77 IonicContact NZ-OE2 2.67Å |
| 54 | H | 84.7 | Confident | 91.8 | Very high | 105 Ų | 105 | 47.4 Ų | 47.4 | 49% | 0.486 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -75.8 | -16.7 | 178.4 | -53.8 | -40.4 | 0 | 0 | 0 | 114 | T32 P52 F56 R57 | T32-H54 HydrophobicContact CG2-CB 3.9Å; P52-H54 PolarHBondContact O-N 2.94Å; H54-F56 PolarHBondContact O-N 3Å; H54-R57 WeakPolarHBondContact O-CB 3.32Å; H54-R57 PolarHBondContact O-N 3.46Å |
| 55 | M | 90.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.3 | -27.4 | 175.4 | -159.8 | -179.6 | 90.5 | 0 | 0 | 111.9 | V27 L41 I51 P52 K53 R57 L58 L64 F81 | V27-M55 HydrophobicContact CG1-SD 4.01Å; V27-M55 HydrophobicContact CG2-SD 4.17Å; L41-M55 HydrophobicContact CD2-CG 4.46Å; L41-M55 HydrophobicContact CD2-SD 3.96Å; I51-M55 HydrophobicContact CG2-CB 4.47Å; I51-M55 HydrophobicContact CG2-CE 3.36Å; I51-M55 HydrophobicContact CG2-SD 3.87Å; P52-M55 HydrophobicContact CG-CB 4.43Å; P52-M55 VanDerWaalsContact O-CB 3.25Å; P52-M55 WeakPolarHBondContact O-CB 3.38Å; P52-M55 PolarHBondContact O-N 2.83Å; K53-M55 VanDerWaalsContact C-N 3.32Å; K53-M55 PolarHBondContact O-N 3.23Å; M55-R57 PolarHBondContact O-N 3.37Å; M55-L58 HydrophobicContact CG-CD1 3.62Å; M55-L58 WeakPolarHBondContact O-CD1 3.12Å; M55-L58 WeakPolarHBondContact O-CG 3.04Å; M55-L58 PolarHBondContact O-N 3.16Å; M55-L58 VanDerWaalsContact O-N 3.12Å; M55-L64 HydrophobicContact CE-CD1 3.82Å; M55-L64 HydrophobicContact CE-CD2 3.56Å; M55-L64 HydrophobicContact CE-CG 4.37Å; M55-F81 HydrophobicContact CE-CE2 3.99Å; M55-F81 HydrophobicContact CE-CZ 3.8Å; M55-F81 HydrophobicContact CG-CZ 4.4Å; M55-F81 VanDerWaalsContact O-CE1 3.25Å; M55-F81 WeakPolarHBondContact O-CE1 3.28Å; M55-F81 WeakPolarHBondContact O-CZ 3.47Å |
| 56 | F | 89.2 | Confident | 92.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -72.7 | 9 | 178.5 | -55.6 | -71.9 | 0 | 0 | 0 | 114.5 | I51 K53 H54 H59 P75 E77 I78 H80 F81 | I51-F56 HydrophobicContact CB-CZ 4.18Å; I51-F56 HydrophobicContact CG2-CE1 4.29Å; I51-F56 HydrophobicContact CG2-CE2 3.92Å; I51-F56 HydrophobicContact CG2-CZ 3.43Å; I51-F56 VanDerWaalsContact CG2-CZ 3.43Å; K53-F56 WeakPolarHBondContact O-CD2 3.18Å; H54-F56 PolarHBondContact O-N 3Å; F56-H59 PolarHBondContact O-CE1 3.26Å; F56-H59 VanDerWaalsContact O-CE1 3.26Å; F56-P75 HydrophobicContact CE1-CG 4.43Å; F56-P75 HydrophobicContact CE2-CB 4.5Å; F56-P75 HydrophobicContact CE2-CG 3.43Å; F56-P75 VanDerWaalsContact CE2-CG 3.43Å; F56-P75 HydrophobicContact CZ-CG 3.34Å; F56-E77 HydrophobicContact CB-CB 4.02Å; F56-E77 VanDerWaalsContact CD1-C 3.49Å; F56-E77 HydrophobicContact CD1-CB 4.3Å; F56-E77 WeakPolarHBondContact CD1-O 3.35Å; F56-E77 HydrophobicContact CD2-CB 3.58Å; F56-E77 HydrophobicContact CE2-CB 4.19Å; F56-E77 HydrophobicContact CG-CB 3.66Å; F56-E77 WeakPolarHBondContact CG-O 3.14Å; F56-I78 HydrophobicContact CE1-CB 4.29Å; F56-I78 HydrophobicContact CE1-CD1 4.05Å; F56-H80 HydrophobicContact CB-CB 4.16Å; F56-H80 WeakPolarHBondContact O-CB 3.41Å; F56-F81 AromaticContact CD1-CD2 3.96Å; F56-F81 HydrophobicContact CD1-CD2 3.96Å; F56-F81 HydrophobicContact CD1-CE1 4.06Å; F56-F81 AromaticContact CD1-CE2 3.39Å; F56-F81 HydrophobicContact CD1-CE2 3.39Å; F56-F81 AromaticContact CD1-CZ 3.44Å; F56-F81 HydrophobicContact CD1-CZ 3.44Å; F56-F81 VanDerWaalsContact CD1-CZ 3.44Å; F56-F81 HydrophobicContact CE1-CD2 4.13Å; F56-F81 AromaticContact CE1-CE2 3.41Å; F56-F81 HydrophobicContact CE1-CE2 3.41Å; F56-F81 VanDerWaalsContact CE1-CE2 3.41Å; F56-F81 AromaticContact CE1-CZ 3.81Å; F56-F81 HydrophobicContact CE1-CZ 3.81Å; F56-F81 HydrophobicContact CG-CZ 4.26Å |
| 57 | R | 87.4 | Confident | 92.3 | Very high | 148 Ų | 148 | 46.5 Ų | 46.5 | 56% | 0.558 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -88.7 | -4 | 167.7 | -63.4 | 176.1 | 173.8 | 165.9 | -2.1 | 113.4 | H54 M55 H59 | H54-R57 WeakPolarHBondContact O-CB 3.32Å; H54-R57 PolarHBondContact O-N 3.46Å; M55-R57 PolarHBondContact O-N 3.37Å; R57-H59 PolarHBondContact O-CD2 3.33Å; R57-H59 VanDerWaalsContact O-CD2 3.29Å; R57-H59 PolarHBondContact O-N 3.12Å |
| 58 | L | 91.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -80.2 | 66.5 | 175.6 | -51.7 | 163.7 | 0 | 0 | 0 | 109.6 | V31 L38 L41 M55 K60 L61 F81 | V31-L58 HydrophobicContact CG1-CD1 3.91Å; V31-L58 HydrophobicContact CG1-CD2 4.29Å; V31-L58 WeakPolarHBondContact O-CD2 3.46Å; L38-L58 HydrophobicContact CB-CD2 4.23Å; L38-L58 HydrophobicContact CD2-CD1 4.15Å; L38-L58 HydrophobicContact CD2-CD2 3.99Å; L41-L58 HydrophobicContact CD2-CD1 3.99Å; M55-L58 HydrophobicContact CG-CD1 3.62Å; M55-L58 WeakPolarHBondContact O-CD1 3.12Å; M55-L58 WeakPolarHBondContact O-CG 3.04Å; M55-L58 PolarHBondContact O-N 3.16Å; M55-L58 VanDerWaalsContact O-N 3.12Å; L58-K60 PolarHBondContact O-N 2.81Å; L58-L61 HydrophobicContact CB-CB 4.03Å; L58-L61 HydrophobicContact CD1-CD2 4.26Å; L58-L61 WeakPolarHBondContact O-CB 3.33Å; L58-L61 PolarHBondContact O-N 2.75Å; L58-F81 HydrophobicContact CB-CE1 3.94Å; L58-F81 WeakPolarHBondContact O-CD1 3.36Å | ||
| 59 | H | 88.9 | Confident | 92.4 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.8 | -170.4 | -59.6 | -59.5 | 0 | 0 | 0 | 114.7 | F56 R57 H80 E83 | F56-H59 PolarHBondContact O-CE1 3.26Å; F56-H59 VanDerWaalsContact O-CE1 3.26Å; R57-H59 PolarHBondContact O-CD2 3.33Å; R57-H59 VanDerWaalsContact O-CD2 3.29Å; R57-H59 PolarHBondContact O-N 3.12Å; H59-H80 PolarHBondContact ND1-O 3.32Å; H59-E83 WeakPolarHBondContact O-CG 3.25Å |
| 60 | K | 91.8 | Very high | 92.4 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.2 | 173.3 | -85 | -73.3 | 165 | -158.6 | 0 | 114.7 | L38 E39 L58 R62 E83 | L38-K60 CarbonylContact O-C 3.4Å; E39-K60 WeakPolarHBondContact CA-O 3.35Å; L58-K60 PolarHBondContact O-N 2.81Å; K60-R62 PolarHBondContact O-N 3.11Å; K60-E83 IonicContact NZ-OE1 2.74Å; K60-E83 PolarHBondContact NZ-OE1 2.78Å |
| 61 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -68.7 | 106.7 | -173.5 | -163.9 | 75 | 0 | 0 | 0 | 111.6 | L38 E39 L41 L58 L64 F81 L84 | L38-L61 HydrophobicContact CG-CD1 4.31Å; L38-L61 WeakPolarHBondContact O-CA 3.29Å; L38-L61 PolarHBondContact O-N 2.99Å; E39-L61 CarbonylContact O-C 3.3Å; L41-L61 HydrophobicContact CB-CD1 3.68Å; L58-L61 HydrophobicContact CB-CB 4.03Å; L58-L61 HydrophobicContact CD1-CD2 4.26Å; L58-L61 WeakPolarHBondContact O-CB 3.33Å; L58-L61 PolarHBondContact O-N 2.75Å; L61-L64 HydrophobicContact CD2-CB 3.94Å; L61-L64 HydrophobicContact CD2-CD1 4.23Å; L61-L64 HydrophobicContact CD2-CD2 4.38Å; L61-L64 HydrophobicContact CD2-CG 4.41Å; L61-F81 HydrophobicContact CB-CD1 4.08Å; L61-F81 HydrophobicContact CB-CE1 4.29Å; L61-F81 HydrophobicContact CD2-CD1 4.24Å; L61-F81 HydrophobicContact CD2-CD2 4.38Å; L61-F81 HydrophobicContact CD2-CE1 3.91Å; L61-F81 HydrophobicContact CD2-CE2 4.04Å; L61-F81 HydrophobicContact CD2-CG 4.48Å; L61-F81 HydrophobicContact CD2-CZ 3.8Å; L61-L84 HydrophobicContact CG-CD1 4.47Å; L61-L84 WeakPolarHBondContact O-CA 3.28Å; L61-L84 WeakPolarHBondContact O-CD1 3.14Å; L61-L84 PolarHBondContact O-N 3.1Å | ||
| 62 | R | 96.1 | Very high | 92.4 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 33% | 0.328 | 19% | 0.188 | S | C | . | . | trans | -90.1 | -30 | 176.5 | -70.5 | 173.3 | 61.5 | -126.8 | -8.5 | 112.6 | E39 K60 E83 E85 E86 | E39-R62 PolarHBondContact O-N 3.49Å; E39-R62 WeakPolarHBondContact OE2-CD 3.27Å; E39-R62 IonicContact OE2-CZ 2.61Å; E39-R62 IonicContact OE2-NH1 3.7Å; E39-R62 PolarHBondContact OE2-NH1 2.97Å; K60-R62 PolarHBondContact O-N 3.11Å; R62-E83 WeakPolarHBondContact CA-O 3.29Å; R62-E83 HydrophobicContact CG-CB 3.95Å; R62-E83 WeakPolarHBondContact CG-O 3.22Å; R62-E85 IonicContact CZ-OE1 3.6Å; R62-E85 VanDerWaalsContact CZ-OE1 3.3Å; R62-E85 IonicContact CZ-OE2 3.19Å; R62-E85 IonicContact NE-OE1 3.21Å; R62-E85 PolarHBondContact NE-OE1 2.97Å; R62-E85 IonicContact NE-OE2 3.74Å; R62-E85 VanDerWaalsContact NH2-CD 3.26Å; R62-E85 IonicContact NH2-OE1 3.8Å; R62-E85 PolarHBondContact NH2-OE1 3.15Å; R62-E85 IonicContact NH2-OE2 2.73Å; R62-E85 PolarHBondContact NH2-OE2 3.27Å; R62-E85 PolarHBondContact O-N 3.24Å; R62-E86 PolarHBondContact O-N 3.46Å | ||
| 63 | R | 97.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.1 | 175 | -178.4 | 162.2 | -160.1 | 159.8 | 2.8 | 113.5 | E39 V40 L41 E86 P1121 V1122 S1125 S1126 | E39-R63 PolarHBondContact O-N 3.26Å; V40-R63 WeakPolarHBondContact CA-O 3.36Å; V40-R63 HydrophobicContact CG1-CB 4.13Å; V40-R63 HydrophobicContact CG1-CG 4.38Å; V40-R63 HydrophobicContact CG2-CB 4.19Å; L41-R63 PolarHBondContact N-O 3.04Å; R63-E86 WeakPolarHBondContact CA-O 3.24Å; R63-E86 HydrophobicContact CB-CB 4Å; R63-E86 WeakPolarHBondContact CD-OE1 3.22Å; R63-E86 HydrophobicContact CG-CB 3.72Å; R63-E86 IonicContact CZ-OE1 3.73Å; R63-E86 IonicContact CZ-OE2 2.71Å; R63-E86 IonicContact NE-OE1 3.68Å; R63-E86 IonicContact NE-OE2 2.64Å; R63-E86 PolarHBondContact NE-OE2 3.46Å; R63-E86 IonicContact NH1-OE1 3.6Å; R63-E86 PolarHBondContact NH1-OE1 2.79Å; R63-E86 IonicContact NH1-OE2 3.13Å; R63-E86 PolarHBondContact NH1-OE2 2.95Å; R63-E86 IonicContact NH2-OE2 3.95Å; R63-E86 PolarHBondContact NH2-OE2 3.13Å; R63-P1121 PolarHBondContact NH1-O 3.44Å; R63-V1122 VanDerWaalsContact CZ-O 3.26Å; R63-V1122 PolarHBondContact NH1-O 3.31Å; R63-V1122 PolarHBondContact NH2-O 3Å; R63-S1125 VanDerWaalsContact CZ-CB 3.48Å; R63-S1125 PolarHBondContact NH1-OG 3.03Å; R63-S1126 PolarHBondContact NH2-OG 2.82Å |
| 64 | L | 96.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.8 | 173.6 | 179 | 57.3 | 0 | 0 | 0 | 109.9 | L41 M55 L61 L66 F81 L84 E86 L87 D88 | L41-L64 HydrophobicContact CB-CD1 4.26Å; L41-L64 HydrophobicContact CD2-CD1 4.06Å; L41-L64 HydrophobicContact CG-CD1 4.2Å; M55-L64 HydrophobicContact CE-CD1 3.82Å; M55-L64 HydrophobicContact CE-CD2 3.56Å; M55-L64 HydrophobicContact CE-CG 4.37Å; L61-L64 HydrophobicContact CD2-CB 3.94Å; L61-L64 HydrophobicContact CD2-CD1 4.23Å; L61-L64 HydrophobicContact CD2-CD2 4.38Å; L61-L64 HydrophobicContact CD2-CG 4.41Å; L64-L66 HydrophobicContact CD1-CD1 3.83Å; L64-L66 HydrophobicContact CD1-CG 3.89Å; L64-L66 HydrophobicContact CD2-CD1 3.83Å; L64-L66 HydrophobicContact CG-CD1 3.78Å; L64-L66 HydrophobicContact CG-CG 4.14Å; L64-F81 HydrophobicContact CD2-CE2 3.87Å; L64-L84 HydrophobicContact CB-CD1 4.08Å; L64-E86 PolarHBondContact N-O 3.05Å; L64-L87 HydrophobicContact CB-CD1 4.11Å; L64-L87 HydrophobicContact CD2-CD1 3.93Å; L64-L87 HydrophobicContact CG-CD1 4.1Å; L64-L87 WeakPolarHBondContact O-CA 3.44Å; L64-D88 PolarHBondContact O-N 3.38Å |
| 65 | A | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L41 L42 L43 D44 D88 N1129 | L41-A65 PolarHBondContact O-N 3Å; L42-A65 HydrophobicContact CD2-CB 3.71Å; L43-A65 PolarHBondContact N-O 3.12Å; D44-A65 WeakPolarHBondContact OD1-CB 3.18Å; D44-A65 VanDerWaalsContact OD2-C 3.22Å; D44-A65 WeakPolarHBondContact OD2-CB 3.44Å; A65-D88 HydrophobicContact CB-CB 4.25Å; A65-N1129 WeakPolarHBondContact CB-ND2 3.18Å |
| 66 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -143.7 | 18.5 | -169.6 | -76.3 | 167.3 | 0 | 0 | 0 | 111.2 | L43 D44 I48 I51 L64 N69 I71 D88 V89 N92 | L43-L66 HydrophobicContact CB-CD2 3.65Å; L43-L66 HydrophobicContact CD1-CD2 3.84Å; L43-L66 HydrophobicContact CG-CD2 4.41Å; D44-L66 PolarHBondContact OD1-N 2.98Å; I48-L66 HydrophobicContact CD1-CD2 4.29Å; I51-L66 HydrophobicContact CD1-CD1 3.71Å; I51-L66 HydrophobicContact CG1-CD1 4.1Å; L64-L66 HydrophobicContact CD1-CD1 3.83Å; L64-L66 HydrophobicContact CD1-CG 3.89Å; L64-L66 HydrophobicContact CD2-CD1 3.83Å; L64-L66 HydrophobicContact CG-CD1 3.78Å; L64-L66 HydrophobicContact CG-CG 4.14Å; L66-N69 PolarHBondContact O-ND2 3.38Å; L66-I71 HydrophobicContact CB-CD1 3.92Å; L66-I71 HydrophobicContact CD1-CD1 4.03Å; L66-I71 HydrophobicContact CD2-CD1 4.04Å; L66-I71 HydrophobicContact CG-CD1 4.23Å; L66-D88 PolarHBondContact N-O 2.78Å; L66-V89 HydrophobicContact CB-CG1 4.23Å; L66-V89 HydrophobicContact CD1-CG1 4.37Å; L66-N92 PolarHBondContact O-ND2 3.07Å | ||
| 67 | S | 95.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -63.6 | 155.4 | -176.1 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | D44 S45 N69 S90 | D44-S67 CarbonylContact C-O 3.52Å; D44-S67 VanDerWaalsContact CA-O 3.25Å; D44-S67 WeakPolarHBondContact CA-O 3.34Å; D44-S67 WeakPolarHBondContact OD1-CA 3.47Å; D44-S67 VanDerWaalsContact OD1-CB 3.29Å; D44-S67 WeakPolarHBondContact OD1-CB 3.4Å; D44-S67 PolarHBondContact OD1-N 3.37Å; D44-S67 PolarHBondContact OD1-OG 3.01Å; S45-S67 PolarHBondContact N-O 2.97Å; S67-N69 PolarHBondContact O-N 3.28Å; S67-N69 PolarHBondContact O-ND2 2.93Å; S67-N69 VanDerWaalsContact O-ND2 3.07Å; S67-S90 CarbonylContact C-O 3.47Å; S67-S90 WeakPolarHBondContact CA-O 3.45Å; S67-S90 WeakPolarHBondContact CB-O 3.36Å; S67-S90 VanDerWaalsContact CB-OG 3.29Å; S67-S90 WeakPolarHBondContact CB-OG 3.29Å | ||
| 68 | D | 94.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 36 Ų | 36 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 54.5 | 50.6 | 178 | -173.5 | 39.3 | 0 | 0 | 0 | 113 | S45 N46 S90 K91 R1360 | S45-D68 VanDerWaalsContact CA-O 3.26Å; S45-D68 WeakPolarHBondContact CA-O 3.37Å; S45-D68 WeakPolarHBondContact CB-OD2 3.43Å; S45-D68 PolarHBondContact OG-OD2 2.87Å; N46-D68 PolarHBondContact N-O 2.9Å; D68-S90 PolarHBondContact N-O 2.91Å; D68-K91 WeakPolarHBondContact CA-O 3.25Å; D68-K91 HydrophobicContact CB-CB 4.36Å; D68-K91 HydrophobicContact CB-CD 4.38Å; D68-R1360 IonicContact OD1-CZ 3.84Å; D68-R1360 IonicContact OD1-NE 3.87Å; D68-R1360 IonicContact OD1-NH2 3.21Å; D68-R1360 PolarHBondContact OD1-NH2 2.78Å |
| 69 | N | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -117.3 | -155.9 | 176 | -87.9 | -85.3 | 0 | 0 | 0 | 110.3 | L43 N46 H47 I48 L66 S67 I71 K91 N92 R1360 | L43-N69 PolarHBondContact O-ND2 3.38Å; N46-N69 WeakPolarHBondContact CA-OD1 3.24Å; N46-N69 WeakPolarHBondContact CB-OD1 3.3Å; N46-N69 PolarHBondContact O-OD1 3.17Å; H47-N69 PolarHBondContact N-OD1 3.04Å; I48-N69 HydrophobicContact CB-CB 4.44Å; I48-N69 VanDerWaalsContact CB-OD1 3.25Å; I48-N69 WeakPolarHBondContact CB-OD1 3.37Å; I48-N69 WeakPolarHBondContact CG1-OD1 3.45Å; I48-N69 PolarHBondContact N-OD1 2.71Å; L66-N69 PolarHBondContact O-ND2 3.38Å; S67-N69 PolarHBondContact O-N 3.28Å; S67-N69 PolarHBondContact O-ND2 2.93Å; S67-N69 VanDerWaalsContact O-ND2 3.07Å; N69-I71 HydrophobicContact CB-CD1 4.29Å; N69-I71 HydrophobicContact CB-CG1 4.1Å; N69-K91 PolarHBondContact N-O 2.59Å; N69-N92 WeakPolarHBondContact CA-OD1 3.46Å; N69-N92 WeakPolarHBondContact CB-OD1 3.16Å; N69-N92 PolarHBondContact N-OD1 2.99Å; N69-R1360 PolarHBondContact O-NH1 2.92Å; N69-R1360 PolarHBondContact O-NH2 2.98Å |
| 70 | E | 92.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | trans | -125.1 | 27.5 | -179.9 | -69 | 175.2 | -152.9 | 0 | 0 | 110.7 | H47 I48 K49 H72 N92 | H47-E70 IonicContact CE1-OE1 3.14Å; H47-E70 IonicContact CG-OE1 2.76Å; H47-E70 IonicContact ND1-OE1 2.69Å; H47-E70 PolarHBondContact ND1-OE1 2.95Å; I48-E70 CarbonylContact O-C 3.07Å; I48-E70 VanDerWaalsContact O-C 3.25Å; I48-E70 WeakPolarHBondContact O-CA 3.37Å; I48-E70 PolarHBondContact O-N 3.32Å; K49-E70 WeakPolarHBondContact CA-O 3.39Å; K49-E70 WeakPolarHBondContact CE-OE2 3.42Å; K49-E70 HydrophobicContact CG-CB 4.12Å; K49-E70 IonicContact NZ-OE2 2.66Å; K49-E70 PolarHBondContact NZ-OE2 3.14Å; E70-H72 PolarHBondContact O-CE1 2.93Å; E70-H72 PolarHBondContact O-N 3.34Å; E70-H72 PolarHBondContact O-ND1 2.75Å; E70-N92 PolarHBondContact N-OD1 2.62Å | ||
| 71 | I | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -75.7 | 122.2 | -171.2 | -57.6 | 172.2 | 0 | 0 | 0 | 110.8 | I48 I51 L66 N69 N92 D93 I94 | I48-I71 HydrophobicContact CG2-CG1 4.38Å; I48-I71 VanDerWaalsContact O-CG1 3.24Å; I48-I71 WeakPolarHBondContact O-CG1 3.34Å; I48-I71 PolarHBondContact O-N 3.37Å; I51-I71 HydrophobicContact CD1-CD1 4.38Å; I51-I71 HydrophobicContact CD1-CG2 4.35Å; I51-I71 HydrophobicContact CG1-CD1 4.06Å; I51-I71 HydrophobicContact CG1-CG2 4.15Å; L66-I71 HydrophobicContact CB-CD1 3.92Å; L66-I71 HydrophobicContact CD1-CD1 4.03Å; L66-I71 HydrophobicContact CD2-CD1 4.04Å; L66-I71 HydrophobicContact CG-CD1 4.23Å; N69-I71 HydrophobicContact CB-CD1 4.29Å; N69-I71 HydrophobicContact CB-CG1 4.1Å; I71-N92 HydrophobicContact CB-CB 4.27Å; I71-N92 WeakPolarHBondContact CB-OD1 3.22Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.3Å; I71-N92 PolarHBondContact N-OD1 3.26Å; I71-D93 CarbonylContact O-C 3.14Å; I71-D93 VanDerWaalsContact O-C 3.26Å; I71-D93 WeakPolarHBondContact O-CA 3.49Å; I71-D93 PolarHBondContact O-N 2.86Å; I71-I94 HydrophobicContact CG2-CG1 4.3Å; I71-I94 WeakPolarHBondContact O-CG1 3.45Å; I71-I94 PolarHBondContact O-N 3.09Å | ||
| 72 | H | 90.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 45% | 0.454 | 17% | 0.172 | S | C | . | . | trans | -90.1 | -20.5 | -176.8 | -53.9 | -42 | 0 | 0 | 0 | 115 | K49 E70 D93 | K49-H72 PolarHBondContact O-N 3.11Å; E70-H72 PolarHBondContact O-CE1 2.93Å; E70-H72 PolarHBondContact O-N 3.34Å; E70-H72 PolarHBondContact O-ND1 2.75Å; H72-D93 IonicContact CE1-OD2 2.61Å; H72-D93 WeakPolarHBondContact ND1-CB 3.2Å; H72-D93 IonicContact ND1-OD2 3.31Å | ||
| 73 | K | 91.7 | Very high | 93.4 | Very high | 104 Ų | 104 | 35.1 Ų | 35.1 | 45% | 0.452 | 17% | 0.169 | S | C | . | . | trans | -157.1 | 143.1 | -177 | 178.9 | 157.2 | 178.4 | 154.3 | 0 | 113.1 | E96 | K73-E96 WeakPolarHBondContact CE-OE2 3.35Å; K73-E96 IonicContact NZ-OE2 2.93Å; K73-E96 PolarHBondContact NZ-OE2 3.45Å | ||
| 74 | I | 93.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | trans | -85.9 | 120.4 | 163.4 | -54.3 | 173.9 | 0 | 0 | 0 | 108 | I78 V89 I94 V97 P98 | I74-I78 HydrophobicContact CG2-CB 3.92Å; I74-I78 HydrophobicContact CG2-CD1 4.22Å; I74-I78 HydrophobicContact CG2-CG1 4.04Å; I74-I78 HydrophobicContact CG2-CG2 4.13Å; I74-V89 HydrophobicContact CD1-CG2 4.34Å; I74-I94 HydrophobicContact CD1-CD1 4.26Å; I74-I94 HydrophobicContact CD1-CG2 4.41Å; I74-I94 HydrophobicContact CG1-CD1 3.93Å; I74-I94 HydrophobicContact CG1-CG2 4.13Å; I74-V97 HydrophobicContact CD1-CG1 4.48Å; I74-V97 HydrophobicContact CD1-CG2 4.33Å; I74-P98 HydrophobicContact CB-CG 4.38Å; I74-P98 HydrophobicContact CG2-CG 4.08Å | ||
| 75 | P | 92.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | trans | -75.7 | 157.1 | 178.1 | 33.3 | -36.5 | 0 | 0 | 0 | 111.6 | I51 F56 E77 I78 | I51-P75 HydrophobicContact CB-CG 4.46Å; F56-P75 HydrophobicContact CE1-CG 4.43Å; F56-P75 HydrophobicContact CE2-CB 4.5Å; F56-P75 HydrophobicContact CE2-CG 3.43Å; F56-P75 VanDerWaalsContact CE2-CG 3.43Å; F56-P75 HydrophobicContact CZ-CG 3.34Å; P75-E77 PolarHBondContact O-N 3.47Å; P75-I78 WeakPolarHBondContact O-CB 3.28Å; P75-I78 WeakPolarHBondContact O-CG2 3.37Å; P75-I78 PolarHBondContact O-N 3.29Å | ||
| 76 | Q | 91.8 | Very high | 93.4 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 61% | 0.607 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -63 | -27.6 | -175 | -73.8 | 178.3 | -14.3 | 0 | 0 | 112.9 | I78 S79 P98 T100 | Q76-I78 PolarHBondContact O-N 3.21Å; Q76-S79 PolarHBondContact O-N 2.91Å; Q76-S79 PolarHBondContact O-OG 2.82Å; Q76-S79 VanDerWaalsContact O-OG 3.13Å; Q76-P98 HydrophobicContact CG-CB 4.01Å; Q76-T100 WeakPolarHBondContact CA-OG1 3.48Å; Q76-T100 HydrophobicContact CB-CG2 4.22Å; Q76-T100 HydrophobicContact CG-CG2 4.43Å; Q76-T100 WeakPolarHBondContact O-CB 3.46Å; Q76-T100 PolarHBondContact O-OG1 3.42Å |
| 77 | E | 93.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.6 | -5.1 | 176.8 | -64.2 | 97.9 | 133.4 | 0 | 0 | 115.1 | K53 F56 P75 S79 H80 | K53-E77 WeakPolarHBondContact CD-OE1 3.08Å; K53-E77 WeakPolarHBondContact CG-OE1 3.36Å; K53-E77 IonicContact NZ-OE1 3.77Å; K53-E77 PolarHBondContact NZ-OE1 2.85Å; K53-E77 IonicContact NZ-OE2 2.67Å; F56-E77 HydrophobicContact CB-CB 4.02Å; F56-E77 VanDerWaalsContact CD1-C 3.49Å; F56-E77 HydrophobicContact CD1-CB 4.3Å; F56-E77 WeakPolarHBondContact CD1-O 3.35Å; F56-E77 HydrophobicContact CD2-CB 3.58Å; F56-E77 HydrophobicContact CE2-CB 4.19Å; F56-E77 HydrophobicContact CG-CB 3.66Å; F56-E77 WeakPolarHBondContact CG-O 3.14Å; P75-E77 PolarHBondContact O-N 3.47Å; E77-S79 PolarHBondContact O-N 2.95Å; E77-S79 VanDerWaalsContact O-N 3.09Å; E77-H80 WeakPolarHBondContact O-CB 3.26Å; E77-H80 PolarHBondContact O-N 3.02Å; E77-H80 PolarHBondContact O-ND1 3.43Å; E77-H80 VanDerWaalsContact O-ND1 3.14Å |
| 78 | I | 93 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -48.3 | -33.1 | 168.3 | -168 | 70.3 | 0 | 0 | 0 | 112.1 | F56 I74 P75 Q76 H80 F81 P98 C104 | F56-I78 HydrophobicContact CE1-CB 4.29Å; F56-I78 HydrophobicContact CE1-CD1 4.05Å; I74-I78 HydrophobicContact CG2-CB 3.92Å; I74-I78 HydrophobicContact CG2-CD1 4.22Å; I74-I78 HydrophobicContact CG2-CG1 4.04Å; I74-I78 HydrophobicContact CG2-CG2 4.13Å; P75-I78 WeakPolarHBondContact O-CB 3.28Å; P75-I78 WeakPolarHBondContact O-CG2 3.37Å; P75-I78 PolarHBondContact O-N 3.29Å; Q76-I78 PolarHBondContact O-N 3.21Å; I78-H80 PolarHBondContact O-N 3.01Å; I78-H80 VanDerWaalsContact O-N 3.09Å; I78-F81 HydrophobicContact CD1-CD2 3.87Å; I78-F81 HydrophobicContact CD1-CE2 4.12Å; I78-F81 PolarHBondContact O-N 3.05Å; I78-F81 VanDerWaalsContact O-N 3.12Å; I78-P98 HydrophobicContact CG2-CG 3.93Å; I78-C104 PolarHBondContact O-SG 3.26Å |
| 79 | S | 90.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -59.3 | -17.5 | 176.9 | 51.4 | 0 | 0 | 0 | 0 | 115.6 | Q76 E77 F81 L82 | Q76-S79 PolarHBondContact O-N 2.91Å; Q76-S79 PolarHBondContact O-OG 2.82Å; Q76-S79 VanDerWaalsContact O-OG 3.13Å; E77-S79 PolarHBondContact O-N 2.95Å; E77-S79 VanDerWaalsContact O-N 3.09Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-L82 WeakPolarHBondContact O-CD2 3.24Å |
| 80 | H | 92.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 40% | 0.403 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -78.5 | -10.5 | 177.4 | -54.4 | 132.4 | 0 | 0 | 0 | 113.6 | F56 H59 E77 I78 L82 | F56-H80 HydrophobicContact CB-CB 4.16Å; F56-H80 WeakPolarHBondContact O-CB 3.41Å; H59-H80 PolarHBondContact ND1-O 3.32Å; E77-H80 WeakPolarHBondContact O-CB 3.26Å; E77-H80 PolarHBondContact O-N 3.02Å; E77-H80 PolarHBondContact O-ND1 3.43Å; E77-H80 VanDerWaalsContact O-ND1 3.14Å; I78-H80 PolarHBondContact O-N 3.01Å; I78-H80 VanDerWaalsContact O-N 3.09Å; H80-L82 VanDerWaalsContact C-N 3.3Å; H80-L82 PolarHBondContact O-N 2.82Å; H80-L82 VanDerWaalsContact O-N 3.16Å |
| 81 | F | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -83.4 | 77.5 | 166.7 | -56 | -42.4 | 0 | 0 | 0 | 109.3 | M55 F56 L58 L61 L64 I78 S79 E83 L84 C104 | M55-F81 HydrophobicContact CE-CE2 3.99Å; M55-F81 HydrophobicContact CE-CZ 3.8Å; M55-F81 HydrophobicContact CG-CZ 4.4Å; M55-F81 VanDerWaalsContact O-CE1 3.25Å; M55-F81 WeakPolarHBondContact O-CE1 3.28Å; M55-F81 WeakPolarHBondContact O-CZ 3.47Å; F56-F81 AromaticContact CD1-CD2 3.96Å; F56-F81 HydrophobicContact CD1-CD2 3.96Å; F56-F81 HydrophobicContact CD1-CE1 4.06Å; F56-F81 AromaticContact CD1-CE2 3.39Å; F56-F81 HydrophobicContact CD1-CE2 3.39Å; F56-F81 AromaticContact CD1-CZ 3.44Å; F56-F81 HydrophobicContact CD1-CZ 3.44Å; F56-F81 VanDerWaalsContact CD1-CZ 3.44Å; F56-F81 HydrophobicContact CE1-CD2 4.13Å; F56-F81 AromaticContact CE1-CE2 3.41Å; F56-F81 HydrophobicContact CE1-CE2 3.41Å; F56-F81 VanDerWaalsContact CE1-CE2 3.41Å; F56-F81 AromaticContact CE1-CZ 3.81Å; F56-F81 HydrophobicContact CE1-CZ 3.81Å; F56-F81 HydrophobicContact CG-CZ 4.26Å; L58-F81 HydrophobicContact CB-CE1 3.94Å; L58-F81 WeakPolarHBondContact O-CD1 3.36Å; L61-F81 HydrophobicContact CB-CD1 4.08Å; L61-F81 HydrophobicContact CB-CE1 4.29Å; L61-F81 HydrophobicContact CD2-CD1 4.24Å; L61-F81 HydrophobicContact CD2-CD2 4.38Å; L61-F81 HydrophobicContact CD2-CE1 3.91Å; L61-F81 HydrophobicContact CD2-CE2 4.04Å; L61-F81 HydrophobicContact CD2-CG 4.48Å; L61-F81 HydrophobicContact CD2-CZ 3.8Å; L64-F81 HydrophobicContact CD2-CE2 3.87Å; I78-F81 HydrophobicContact CD1-CD2 3.87Å; I78-F81 HydrophobicContact CD1-CE2 4.12Å; I78-F81 PolarHBondContact O-N 3.05Å; I78-F81 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.28Å; F81-E83 VanDerWaalsContact C-N 3.34Å; F81-L84 HydrophobicContact CB-CB 3.8Å; F81-L84 HydrophobicContact CB-CD1 4.4Å; F81-L84 HydrophobicContact CB-CD2 4.21Å; F81-L84 HydrophobicContact CB-CG 4.37Å; F81-L84 HydrophobicContact CD2-CD2 4.26Å; F81-L84 WeakPolarHBondContact O-CB 3.45Å; F81-L84 PolarHBondContact O-N 3.4Å; F81-C104 PolarHBondContact O-SG 3.1Å; F81-C104 VanDerWaalsContact O-SG 3.34Å | ||
| 82 | L | 90.3 | Very high | 93.7 | Very high | 104 Ų | 104 | 40.3 Ų | 40.3 | 55% | 0.545 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -36.5 | -176.2 | -61.9 | 175 | 0 | 0 | 0 | 112.4 | S79 H80 L84 H106 | S79-L82 WeakPolarHBondContact O-CD2 3.24Å; H80-L82 VanDerWaalsContact C-N 3.3Å; H80-L82 PolarHBondContact O-N 2.82Å; H80-L82 VanDerWaalsContact O-N 3.16Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 3.27Å; L82-H106 PolarHBondContact O-CD2 3.05Å; L82-H106 VanDerWaalsContact O-CD2 3.27Å |
| 83 | E | 92.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 39 Ų | 39 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.6 | -179.3 | -51.6 | -83.6 | -148.8 | 0 | 0 | 112.8 | H59 K60 R62 F81 E85 | H59-E83 WeakPolarHBondContact O-CG 3.25Å; K60-E83 IonicContact NZ-OE1 2.74Å; K60-E83 PolarHBondContact NZ-OE1 2.78Å; R62-E83 WeakPolarHBondContact CA-O 3.29Å; R62-E83 HydrophobicContact CG-CB 3.95Å; R62-E83 WeakPolarHBondContact CG-O 3.22Å; F81-E83 VanDerWaalsContact C-N 3.34Å; E83-E85 PolarHBondContact O-N 2.78Å; E83-E85 VanDerWaalsContact O-N 3.11Å |
| 84 | L | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -67.4 | 112.7 | -170.8 | -163.2 | 70.6 | 0 | 0 | 0 | 111.7 | L61 L64 F81 L82 L87 C104 H106 L107 | L61-L84 HydrophobicContact CG-CD1 4.47Å; L61-L84 WeakPolarHBondContact O-CA 3.28Å; L61-L84 WeakPolarHBondContact O-CD1 3.14Å; L61-L84 PolarHBondContact O-N 3.1Å; L64-L84 HydrophobicContact CB-CD1 4.08Å; F81-L84 HydrophobicContact CB-CB 3.8Å; F81-L84 HydrophobicContact CB-CD1 4.4Å; F81-L84 HydrophobicContact CB-CD2 4.21Å; F81-L84 HydrophobicContact CB-CG 4.37Å; F81-L84 HydrophobicContact CD2-CD2 4.26Å; F81-L84 WeakPolarHBondContact O-CB 3.45Å; F81-L84 PolarHBondContact O-N 3.4Å; L82-L84 VanDerWaalsContact C-N 3.29Å; L82-L84 PolarHBondContact O-N 3.27Å; L84-L87 HydrophobicContact CD2-CB 4.27Å; L84-L87 HydrophobicContact CD2-CD1 4.49Å; L84-C104 HydrophobicContact CB-CB 4.44Å; L84-H106 CarbonylContact O-C 3.26Å; L84-H106 WeakPolarHBondContact O-CB 3.47Å; L84-L107 HydrophobicContact CB-CD2 4.38Å; L84-L107 HydrophobicContact CD2-CD2 3.96Å; L84-L107 HydrophobicContact CG-CD2 3.91Å; L84-L107 WeakPolarHBondContact O-CA 3.4Å; L84-L107 WeakPolarHBondContact O-CG 3.49Å; L84-L107 PolarHBondContact O-N 2.73Å | ||
| 85 | E | 96.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | trans | -93.3 | -30.7 | 175.3 | -72 | 167.7 | -146 | 0 | 0 | 111.9 | R62 E83 H106 L107 A108 Y109 | R62-E85 IonicContact CZ-OE1 3.6Å; R62-E85 VanDerWaalsContact CZ-OE1 3.3Å; R62-E85 IonicContact CZ-OE2 3.19Å; R62-E85 IonicContact NE-OE1 3.21Å; R62-E85 PolarHBondContact NE-OE1 2.97Å; R62-E85 IonicContact NE-OE2 3.74Å; R62-E85 VanDerWaalsContact NH2-CD 3.26Å; R62-E85 IonicContact NH2-OE1 3.8Å; R62-E85 PolarHBondContact NH2-OE1 3.15Å; R62-E85 IonicContact NH2-OE2 2.73Å; R62-E85 PolarHBondContact NH2-OE2 3.27Å; R62-E85 PolarHBondContact O-N 3.24Å; E83-E85 PolarHBondContact O-N 2.78Å; E83-E85 VanDerWaalsContact O-N 3.11Å; E85-H106 WeakPolarHBondContact CA-O 3.31Å; E85-H106 HydrophobicContact CG-CB 4.08Å; E85-L107 CarbonylContact O-C 3.22Å; E85-L107 WeakPolarHBondContact O-CA 3.43Å; E85-A108 PolarHBondContact O-N 2.97Å; E85-Y109 PolarHBondContact O-N 2.85Å | ||
| 86 | E | 97.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 126 | -170.2 | -59.5 | -159.3 | -106.4 | 0 | 0 | 113.4 | R62 R63 L64 Y109 V1122 | R62-E86 PolarHBondContact O-N 3.46Å; R63-E86 WeakPolarHBondContact CA-O 3.24Å; R63-E86 HydrophobicContact CB-CB 4Å; R63-E86 WeakPolarHBondContact CD-OE1 3.22Å; R63-E86 HydrophobicContact CG-CB 3.72Å; R63-E86 IonicContact CZ-OE1 3.73Å; R63-E86 IonicContact CZ-OE2 2.71Å; R63-E86 IonicContact NE-OE1 3.68Å; R63-E86 IonicContact NE-OE2 2.64Å; R63-E86 PolarHBondContact NE-OE2 3.46Å; R63-E86 IonicContact NH1-OE1 3.6Å; R63-E86 PolarHBondContact NH1-OE1 2.79Å; R63-E86 IonicContact NH1-OE2 3.13Å; R63-E86 PolarHBondContact NH1-OE2 2.95Å; R63-E86 IonicContact NH2-OE2 3.95Å; R63-E86 PolarHBondContact NH2-OE2 3.13Å; L64-E86 PolarHBondContact N-O 3.05Å; E86-Y109 WeakPolarHBondContact CA-O 3.45Å; E86-V1122 VanDerWaalsContact OE2-CA 3.25Å; E86-V1122 WeakPolarHBondContact OE2-CA 3.43Å; E86-V1122 WeakPolarHBondContact OE2-CG1 3.47Å; E86-V1122 VanDerWaalsContact OE2-O 3.1Å |
| 87 | L | 96.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 113.7 | 176.4 | -177.5 | 63 | 0 | 0 | 0 | 111.1 | L64 L84 V89 I101 L107 Y109 V110 D111 | L64-L87 HydrophobicContact CB-CD1 4.11Å; L64-L87 HydrophobicContact CD2-CD1 3.93Å; L64-L87 HydrophobicContact CG-CD1 4.1Å; L64-L87 WeakPolarHBondContact O-CA 3.44Å; L84-L87 HydrophobicContact CD2-CB 4.27Å; L84-L87 HydrophobicContact CD2-CD1 4.49Å; L87-V89 HydrophobicContact CD1-CG1 3.77Å; L87-V89 HydrophobicContact CG-CG1 4.12Å; L87-I101 HydrophobicContact CD2-CD1 4.25Å; L87-L107 HydrophobicContact CB-CD2 4.02Å; L87-Y109 PolarHBondContact N-O 3.14Å; L87-V110 WeakPolarHBondContact O-CA 3.44Å; L87-D111 PolarHBondContact O-N 3.3Å |
| 88 | D | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109 | 172.2 | -167.2 | -19.4 | 0 | 0 | 0 | 109.3 | L64 A65 L66 S90 Y109 S1126 | L64-D88 PolarHBondContact O-N 3.38Å; A65-D88 HydrophobicContact CB-CB 4.25Å; L66-D88 PolarHBondContact N-O 2.78Å; D88-S90 WeakPolarHBondContact OD1-CB 3.45Å; D88-S90 PolarHBondContact OD1-N 2.73Å; D88-S90 PolarHBondContact OD1-OG 3.1Å; D88-Y109 HydrophobicContact CB-CE1 4.37Å; D88-S1126 PolarHBondContact OD2-OG 2.93Å |
| 89 | V | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -123.9 | 23.3 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111 | L66 I74 L87 N92 I94 D111 L112 N115 | L66-V89 HydrophobicContact CB-CG1 4.23Å; L66-V89 HydrophobicContact CD1-CG1 4.37Å; I74-V89 HydrophobicContact CD1-CG2 4.34Å; L87-V89 HydrophobicContact CD1-CG1 3.77Å; L87-V89 HydrophobicContact CG-CG1 4.12Å; V89-N92 PolarHBondContact O-ND2 2.92Å; V89-I94 HydrophobicContact CB-CD1 3.73Å; V89-I94 HydrophobicContact CG1-CD1 4.47Å; V89-I94 HydrophobicContact CG2-CD1 3.72Å; V89-D111 WeakPolarHBondContact CG2-O 3.25Å; V89-D111 PolarHBondContact N-O 3.13Å; V89-L112 HydrophobicContact CG2-CD2 3.58Å; V89-N115 PolarHBondContact O-ND2 3.3Å | ||
| 90 | S | 95.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | trans | -62.2 | 151.9 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | S67 D68 D88 N92 S113 | S67-S90 CarbonylContact C-O 3.47Å; S67-S90 WeakPolarHBondContact CA-O 3.45Å; S67-S90 WeakPolarHBondContact CB-O 3.36Å; S67-S90 VanDerWaalsContact CB-OG 3.29Å; S67-S90 WeakPolarHBondContact CB-OG 3.29Å; D68-S90 PolarHBondContact N-O 2.91Å; D88-S90 WeakPolarHBondContact OD1-CB 3.45Å; D88-S90 PolarHBondContact OD1-N 2.73Å; D88-S90 PolarHBondContact OD1-OG 3.1Å; S90-N92 PolarHBondContact O-ND2 3.34Å; S90-S113 CarbonylContact C-O 3.55Å; S90-S113 WeakPolarHBondContact CA-O 3.17Å; S90-S113 WeakPolarHBondContact CB-O 3.36Å | ||
| 91 | K | 94 | Very high | 93.2 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 59 | 47.7 | 179.5 | -53.4 | 161.4 | -171.5 | 155.8 | 0 | 113.4 | D68 N69 S113 S114 | D68-K91 WeakPolarHBondContact CA-O 3.25Å; D68-K91 HydrophobicContact CB-CB 4.36Å; D68-K91 HydrophobicContact CB-CD 4.38Å; N69-K91 PolarHBondContact N-O 2.59Å; K91-S113 PolarHBondContact N-O 3.19Å; K91-S114 VanDerWaalsContact CA-O 3.25Å; K91-S114 WeakPolarHBondContact CA-O 3.34Å; K91-S114 PolarHBondContact N-O 3.23Å |
| 92 | N | 93.8 | Very high | 93 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -121.4 | -175.4 | 173.1 | -81.9 | -81 | 0 | 0 | 0 | 110 | L66 N69 E70 I71 V89 S90 I94 S114 N115 | L66-N92 PolarHBondContact O-ND2 3.07Å; N69-N92 WeakPolarHBondContact CA-OD1 3.46Å; N69-N92 WeakPolarHBondContact CB-OD1 3.16Å; N69-N92 PolarHBondContact N-OD1 2.99Å; E70-N92 PolarHBondContact N-OD1 2.62Å; I71-N92 HydrophobicContact CB-CB 4.27Å; I71-N92 WeakPolarHBondContact CB-OD1 3.22Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.3Å; I71-N92 PolarHBondContact N-OD1 3.26Å; V89-N92 PolarHBondContact O-ND2 2.92Å; S90-N92 PolarHBondContact O-ND2 3.34Å; N92-I94 HydrophobicContact CB-CD1 4.07Å; N92-I94 HydrophobicContact CB-CG1 4.01Å; N92-S114 PolarHBondContact N-O 3.02Å; N92-N115 VanDerWaalsContact CA-OD1 3.32Å; N92-N115 WeakPolarHBondContact CA-OD1 3.3Å; N92-N115 WeakPolarHBondContact CB-OD1 3.41Å; N92-N115 PolarHBondContact N-OD1 3.26Å; N92-N115 PolarHBondContact O-OD1 3.41Å |
| 93 | D | 91.9 | Very high | 93 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | trans | -103.3 | 26.7 | -179.4 | -68 | -50.8 | 0 | 0 | 0 | 112.1 | I71 H72 Q95 P116 | I71-D93 CarbonylContact O-C 3.14Å; I71-D93 VanDerWaalsContact O-C 3.26Å; I71-D93 WeakPolarHBondContact O-CA 3.49Å; I71-D93 PolarHBondContact O-N 2.86Å; H72-D93 IonicContact CE1-OD2 2.61Å; H72-D93 WeakPolarHBondContact ND1-CB 3.2Å; H72-D93 IonicContact ND1-OD2 3.31Å; D93-Q95 PolarHBondContact O-N 3.38Å; D93-P116 WeakPolarHBondContact O-CG 3.46Å | ||
| 94 | I | 92.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -70.4 | 119.9 | -173.5 | -58.6 | 166.8 | 0 | 0 | 0 | 110.8 | I71 I74 V89 N92 E96 N115 P116 I117 | I71-I94 HydrophobicContact CG2-CG1 4.3Å; I71-I94 WeakPolarHBondContact O-CG1 3.45Å; I71-I94 PolarHBondContact O-N 3.09Å; I74-I94 HydrophobicContact CD1-CD1 4.26Å; I74-I94 HydrophobicContact CD1-CG2 4.41Å; I74-I94 HydrophobicContact CG1-CD1 3.93Å; I74-I94 HydrophobicContact CG1-CG2 4.13Å; V89-I94 HydrophobicContact CB-CD1 3.73Å; V89-I94 HydrophobicContact CG1-CD1 4.47Å; V89-I94 HydrophobicContact CG2-CD1 3.72Å; N92-I94 HydrophobicContact CB-CD1 4.07Å; N92-I94 HydrophobicContact CB-CG1 4.01Å; I94-E96 VanDerWaalsContact CG2-O 3.3Å; I94-E96 WeakPolarHBondContact CG2-O 3.14Å; I94-N115 HydrophobicContact CB-CB 4.31Å; I94-N115 VanDerWaalsContact CB-OD1 3.24Å; I94-N115 WeakPolarHBondContact CB-OD1 3.32Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.48Å; I94-N115 PolarHBondContact N-OD1 3.09Å; I94-P116 CarbonylContact O-C 3.44Å; I94-P116 VanDerWaalsContact O-CD 3.3Å; I94-P116 WeakPolarHBondContact O-CD 3.36Å; I94-I117 HydrophobicContact CG2-CG1 4.49Å; I94-I117 WeakPolarHBondContact O-CG1 3.33Å; I94-I117 PolarHBondContact O-N 3.04Å | ||
| 95 | Q | 89.2 | Confident | 92.7 | Very high | 121 Ų | 121 | 49.7 Ų | 49.7 | 57% | 0.565 | 23% | 0.228 | S | C | * | . | trans | -95.3 | -21.9 | -179.3 | -61.4 | 176.6 | 29 | 0 | 0 | 113.8 | D93 P116 | D93-Q95 PolarHBondContact O-N 3.38Å; Q95-P116 HydrophobicContact CG-CG 3.96Å | ||
| 96 | E | 88.1 | Confident | 92.5 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | trans | -145.4 | 137.9 | -170.9 | -176.9 | -173.9 | -155 | 0 | 0 | 110.5 | K73 I94 | K73-E96 WeakPolarHBondContact CE-OE2 3.35Å; K73-E96 IonicContact NZ-OE2 2.93Å; K73-E96 PolarHBondContact NZ-OE2 3.45Å; I94-E96 VanDerWaalsContact CG2-O 3.3Å; I94-E96 WeakPolarHBondContact CG2-O 3.14Å | ||
| 97 | V | 91.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | trans | -109.1 | 126.8 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | I74 I101 L112 I117 L120 P121 V124 | I74-V97 HydrophobicContact CD1-CG1 4.48Å; I74-V97 HydrophobicContact CD1-CG2 4.33Å; V97-I101 HydrophobicContact CG1-CB 4.47Å; V97-I101 HydrophobicContact CG1-CD1 3.84Å; V97-I101 HydrophobicContact CG1-CG2 4.13Å; V97-L112 HydrophobicContact CG2-CD1 4.14Å; V97-L112 HydrophobicContact CG2-CD2 4.22Å; V97-I117 HydrophobicContact CG2-CD1 3.99Å; V97-L120 HydrophobicContact CG2-CD2 4.43Å; V97-P121 HydrophobicContact CB-CG 4.3Å; V97-P121 HydrophobicContact CG1-CG 4.34Å; V97-P121 WeakPolarHBondContact O-CG 3.43Å; V97-V124 HydrophobicContact CG1-CG2 4.13Å | ||
| 98 | P | 92.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | trans | -75.9 | 143.2 | -176.1 | 30.5 | -35.8 | 0 | 0 | 0 | 112.3 | I74 Q76 I78 T100 I101 | I74-P98 HydrophobicContact CB-CG 4.38Å; I74-P98 HydrophobicContact CG2-CG 4.08Å; Q76-P98 HydrophobicContact CG-CB 4.01Å; I78-P98 HydrophobicContact CG2-CG 3.93Å; P98-T100 PolarHBondContact O-N 3.11Å; P98-I101 WeakPolarHBondContact O-CB 3.49Å; P98-I101 WeakPolarHBondContact O-CG2 3.02Å; P98-I101 PolarHBondContact O-N 3.27Å; P98-I101 VanDerWaalsContact O-N 3.08Å | ||
| 99 | D | 90.7 | Very high | 92.4 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 51% | 0.508 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -54.1 | -27.3 | 175.3 | -77.9 | -63.5 | 0 | 0 | 0 | 114 | I101 R102 P121 C123 | D99-I101 PolarHBondContact O-N 2.86Å; D99-I101 VanDerWaalsContact O-N 3.12Å; D99-R102 PolarHBondContact O-N 3.3Å; D99-P121 VanDerWaalsContact OD1-CB 3.28Å; D99-P121 WeakPolarHBondContact OD1-CB 3.45Å; D99-C123 HydrophobicContact CB-CB 4.34Å; D99-C123 WeakPolarHBondContact OD1-CB 3.45Å; D99-C123 PolarHBondContact OD1-SG 2.82Å |
| 100 | T | 90.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -62.2 | -16.7 | 179 | 59 | 0 | 0 | 0 | 0 | 113.5 | Q76 P98 R102 Q103 | Q76-T100 WeakPolarHBondContact CA-OG1 3.48Å; Q76-T100 HydrophobicContact CB-CG2 4.22Å; Q76-T100 HydrophobicContact CG-CG2 4.43Å; Q76-T100 WeakPolarHBondContact O-CB 3.46Å; Q76-T100 PolarHBondContact O-OG1 3.42Å; P98-T100 PolarHBondContact O-N 3.11Å; T100-R102 PolarHBondContact O-N 3.36Å; T100-R102 VanDerWaalsContact O-N 3.1Å; T100-Q103 WeakPolarHBondContact O-CB 3.49Å; T100-Q103 WeakPolarHBondContact O-CG 3.12Å; T100-Q103 PolarHBondContact O-N 3.2Å |
| 101 | I | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -55.6 | -27.1 | 174.1 | -162.4 | 170.4 | 0 | 0 | 0 | 113.1 | L87 V97 P98 D99 Q103 C104 L107 V124 | L87-I101 HydrophobicContact CD2-CD1 4.25Å; V97-I101 HydrophobicContact CG1-CB 4.47Å; V97-I101 HydrophobicContact CG1-CD1 3.84Å; V97-I101 HydrophobicContact CG1-CG2 4.13Å; P98-I101 WeakPolarHBondContact O-CB 3.49Å; P98-I101 WeakPolarHBondContact O-CG2 3.02Å; P98-I101 PolarHBondContact O-N 3.27Å; P98-I101 VanDerWaalsContact O-N 3.08Å; D99-I101 PolarHBondContact O-N 2.86Å; D99-I101 VanDerWaalsContact O-N 3.12Å; I101-Q103 PolarHBondContact O-N 3.15Å; I101-Q103 VanDerWaalsContact O-N 3.08Å; I101-C104 WeakPolarHBondContact O-CB 3.47Å; I101-C104 PolarHBondContact O-N 3.25Å; I101-L107 HydrophobicContact CD1-CD1 4.4Å; I101-L107 HydrophobicContact CG1-CD1 3.97Å; I101-V124 HydrophobicContact CG2-CG2 3.64Å |
| 102 | R | 89.1 | Confident | 92.5 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -59.1 | -18.6 | 173.7 | 178.5 | 179 | 174.5 | -156.9 | 3.4 | 113.8 | D99 T100 C123 | D99-R102 PolarHBondContact O-N 3.3Å; T100-R102 PolarHBondContact O-N 3.36Å; T100-R102 VanDerWaalsContact O-N 3.1Å; R102-C123 HydrophobicContact CB-CB 3.99Å |
| 103 | Q | 89.2 | Confident | 92.6 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -77.8 | -21.3 | 177.5 | -57.7 | -174.8 | 22.2 | 0 | 0 | 112.6 | T100 I101 R105 | T100-Q103 WeakPolarHBondContact O-CB 3.49Å; T100-Q103 WeakPolarHBondContact O-CG 3.12Å; T100-Q103 PolarHBondContact O-N 3.2Å; I101-Q103 PolarHBondContact O-N 3.15Å; I101-Q103 VanDerWaalsContact O-N 3.08Å; Q103-R105 PolarHBondContact O-N 3.12Å |
| 104 | C | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -75.7 | 66.3 | 170.9 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | I78 F81 L84 I101 H106 L107 | I78-C104 PolarHBondContact O-SG 3.26Å; F81-C104 PolarHBondContact O-SG 3.1Å; F81-C104 VanDerWaalsContact O-SG 3.34Å; L84-C104 HydrophobicContact CB-CB 4.44Å; I101-C104 WeakPolarHBondContact O-CB 3.47Å; I101-C104 PolarHBondContact O-N 3.25Å; C104-H106 PolarHBondContact O-N 3.31Å; C104-H106 VanDerWaalsContact O-N 3.07Å; C104-L107 HydrophobicContact CB-CD1 3.59Å; C104-L107 HydrophobicContact CB-CG 3.8Å; C104-L107 WeakPolarHBondContact O-CB 3.44Å; C104-L107 WeakPolarHBondContact O-CG 3.47Å; C104-L107 PolarHBondContact O-N 3.48Å; C104-L107 VanDerWaalsContact O-N 3.14Å | ||
| 105 | R | 90.3 | Very high | 92.5 | Very high | 190 Ų | 190 | 45.9 Ų | 45.9 | 72% | 0.717 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.8 | -170.6 | -66 | 178.4 | -174.1 | 178.4 | 3.3 | 114.2 | Q103 L107 N129 | Q103-R105 PolarHBondContact O-N 3.12Å; R105-L107 VanDerWaalsContact C-N 3.35Å; R105-N129 PolarHBondContact O-ND2 3Å |
| 106 | H | 93.4 | Very high | 92.4 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10 | -179.5 | -71.3 | -106.5 | 0 | 0 | 0 | 113 | L82 L84 E85 C104 A108 | L82-H106 PolarHBondContact O-CD2 3.05Å; L82-H106 VanDerWaalsContact O-CD2 3.27Å; L84-H106 CarbonylContact O-C 3.26Å; L84-H106 WeakPolarHBondContact O-CB 3.47Å; E85-H106 WeakPolarHBondContact CA-O 3.31Å; E85-H106 HydrophobicContact CG-CB 4.08Å; C104-H106 PolarHBondContact O-N 3.31Å; C104-H106 VanDerWaalsContact O-N 3.07Å; H106-A108 PolarHBondContact O-N 3.08Å |
| 107 | L | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -56.4 | 109.8 | -175.8 | -79.2 | 173.7 | 0 | 0 | 0 | 112.5 | L84 E85 L87 I101 C104 R105 V110 L127 N129 L130 | L84-L107 HydrophobicContact CB-CD2 4.38Å; L84-L107 HydrophobicContact CD2-CD2 3.96Å; L84-L107 HydrophobicContact CG-CD2 3.91Å; L84-L107 WeakPolarHBondContact O-CA 3.4Å; L84-L107 WeakPolarHBondContact O-CG 3.49Å; L84-L107 PolarHBondContact O-N 2.73Å; E85-L107 CarbonylContact O-C 3.22Å; E85-L107 WeakPolarHBondContact O-CA 3.43Å; L87-L107 HydrophobicContact CB-CD2 4.02Å; I101-L107 HydrophobicContact CD1-CD1 4.4Å; I101-L107 HydrophobicContact CG1-CD1 3.97Å; C104-L107 HydrophobicContact CB-CD1 3.59Å; C104-L107 HydrophobicContact CB-CG 3.8Å; C104-L107 WeakPolarHBondContact O-CB 3.44Å; C104-L107 WeakPolarHBondContact O-CG 3.47Å; C104-L107 PolarHBondContact O-N 3.48Å; C104-L107 VanDerWaalsContact O-N 3.14Å; R105-L107 VanDerWaalsContact C-N 3.35Å; L107-V110 HydrophobicContact CB-CG2 4.29Å; L107-V110 HydrophobicContact CD1-CG2 3.95Å; L107-V110 HydrophobicContact CD2-CG2 4.04Å; L107-V110 HydrophobicContact CG-CG2 4.33Å; L107-L127 HydrophobicContact CB-CD1 4.22Å; L107-L127 HydrophobicContact CB-CD2 4.4Å; L107-L127 HydrophobicContact CD1-CD1 3.89Å; L107-L127 HydrophobicContact CD1-CD2 4.29Å; L107-N129 CarbonylContact O-C 3.38Å; L107-L130 HydrophobicContact CB-CD1 4.49Å; L107-L130 WeakPolarHBondContact O-CA 3.46Å; L107-L130 PolarHBondContact O-N 2.81Å | ||
| 108 | A | 96.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | trans | -103.6 | -24 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E85 H106 T131 Y132 | E85-A108 PolarHBondContact O-N 2.97Å; H106-A108 PolarHBondContact O-N 3.08Å; A108-T131 HydrophobicContact CB-CG2 4.44Å; A108-T131 WeakPolarHBondContact O-CA 3.03Å; A108-T131 PolarHBondContact O-N 2.76Å; A108-T131 PolarHBondContact O-OG1 3.06Å; A108-Y132 PolarHBondContact O-N 3Å | ||
| 109 | Y | 97.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.1 | 176.4 | -176.8 | -82.9 | 0 | 0 | 0 | 111.1 | E85 E86 L87 D88 D111 Y132 V1122 | E85-Y109 PolarHBondContact O-N 2.85Å; E86-Y109 WeakPolarHBondContact CA-O 3.45Å; L87-Y109 PolarHBondContact N-O 3.14Å; D88-Y109 HydrophobicContact CB-CE1 4.37Å; Y109-D111 HydrophobicContact CE1-CB 3.83Å; Y109-Y132 HydrophobicContact CD1-CD1 4.31Å; Y109-Y132 AromaticContact CD2-CD1 3.28Å; Y109-Y132 HydrophobicContact CD2-CD1 3.28Å; Y109-Y132 HydrophobicContact CD2-CD2 4.21Å; Y109-Y132 AromaticContact CD2-CE1 3.96Å; Y109-Y132 HydrophobicContact CD2-CE1 3.96Å; Y109-Y132 AromaticContact CD2-CG 3.42Å; Y109-Y132 HydrophobicContact CD2-CG 3.42Å; Y109-Y132 VanDerWaalsContact CD2-CG 3.42Å; Y109-Y132 HydrophobicContact CE1-CD1 4.21Å; Y109-Y132 HydrophobicContact CE1-CE1 4.11Å; Y109-Y132 AromaticContact CE2-CD1 3.17Å; Y109-Y132 HydrophobicContact CE2-CD1 3.17Å; Y109-Y132 AromaticContact CE2-CD2 3.87Å; Y109-Y132 HydrophobicContact CE2-CD2 3.87Å; Y109-Y132 AromaticContact CE2-CE1 3.35Å; Y109-Y132 HydrophobicContact CE2-CE1 3.35Å; Y109-Y132 HydrophobicContact CE2-CE2 4.04Å; Y109-Y132 AromaticContact CE2-CG 3.45Å; Y109-Y132 HydrophobicContact CE2-CG 3.45Å; Y109-Y132 VanDerWaalsContact CE2-CG 3.45Å; Y109-Y132 AromaticContact CE2-CZ 3.79Å; Y109-Y132 AromaticContact CG-CD1 3.88Å; Y109-Y132 HydrophobicContact CG-CD1 3.88Å; Y109-Y132 HydrophobicContact CG-CG 4.35Å; Y109-Y132 AromaticContact CZ-CD1 3.67Å; Y109-Y132 AromaticContact CZ-CE1 3.43Å; Y109-Y132 VanDerWaalsContact CZ-CE1 3.43Å; Y109-Y132 AromaticContact CZ-CZ 3.96Å; Y109-V1122 HydrophobicContact CD2-CG1 3.21Å; Y109-V1122 HydrophobicContact CE2-CG1 4.03Å; Y109-V1122 HydrophobicContact CG-CG1 3.71Å |
| 110 | V | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 121.4 | 171.8 | 171.3 | 0 | 0 | 0 | 0 | 109.1 | L87 L107 L112 L127 L130 Y132 L133 G134 | L87-V110 WeakPolarHBondContact O-CA 3.44Å; L107-V110 HydrophobicContact CB-CG2 4.29Å; L107-V110 HydrophobicContact CD1-CG2 3.95Å; L107-V110 HydrophobicContact CD2-CG2 4.04Å; L107-V110 HydrophobicContact CG-CG2 4.33Å; V110-L112 HydrophobicContact CG1-CD1 4.15Å; V110-L112 HydrophobicContact CG1-CD2 4.17Å; V110-L112 HydrophobicContact CG1-CG 3.81Å; V110-L127 HydrophobicContact CG2-CD1 4.46Å; V110-L130 HydrophobicContact CB-CD1 3.99Å; V110-L130 HydrophobicContact CG2-CD1 3.67Å; V110-Y132 PolarHBondContact N-O 3.02Å; V110-L133 HydrophobicContact CB-CD1 4.47Å; V110-L133 HydrophobicContact CG1-CD1 4.37Å; V110-L133 WeakPolarHBondContact O-CA 3.14Å; V110-G134 PolarHBondContact O-N 2.9Å |
| 111 | D | 96.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.7 | 169.4 | -151.5 | -43.1 | 0 | 0 | 0 | 111.5 | L87 V89 Y109 S113 Y132 | L87-D111 PolarHBondContact O-N 3.3Å; V89-D111 WeakPolarHBondContact CG2-O 3.25Å; V89-D111 PolarHBondContact N-O 3.13Å; Y109-D111 HydrophobicContact CE1-CB 3.83Å; D111-S113 WeakPolarHBondContact OD1-CB 3.39Å; D111-S113 PolarHBondContact OD1-N 3.14Å; D111-S113 PolarHBondContact OD1-OG 2.69Å; D111-Y132 HydrophobicContact CB-CE1 4.05Å; D111-Y132 WeakPolarHBondContact OD2-CE1 3.17Å; D111-Y132 PolarHBondContact OD2-OH 2.72Å |
| 112 | L | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -113.7 | 6.3 | 179.3 | -58.9 | 172.8 | 0 | 0 | 0 | 111.5 | V89 V97 V110 N115 I117 L120 G134 L135 I138 | V89-L112 HydrophobicContact CG2-CD2 3.58Å; V97-L112 HydrophobicContact CG2-CD1 4.14Å; V97-L112 HydrophobicContact CG2-CD2 4.22Å; V110-L112 HydrophobicContact CG1-CD1 4.15Å; V110-L112 HydrophobicContact CG1-CD2 4.17Å; V110-L112 HydrophobicContact CG1-CG 3.81Å; L112-N115 WeakPolarHBondContact O-CB 3.41Å; L112-N115 PolarHBondContact O-ND2 3.14Å; L112-I117 HydrophobicContact CB-CD1 3.82Å; L112-I117 HydrophobicContact CD1-CD1 4.21Å; L112-I117 HydrophobicContact CD2-CD1 4.38Å; L112-I117 HydrophobicContact CG-CD1 4.36Å; L112-L120 HydrophobicContact CD1-CD2 3.53Å; L112-G134 PolarHBondContact N-O 2.83Å; L112-L135 HydrophobicContact CB-CD2 4.17Å; L112-L135 HydrophobicContact CD1-CD2 3.93Å; L112-L135 HydrophobicContact CG-CD2 4.48Å; L112-I138 WeakPolarHBondContact O-CG2 3.33Å | ||
| 113 | S | 94.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | trans | -58.7 | 150.5 | -169.3 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | S90 K91 D111 N115 N136 | S90-S113 CarbonylContact C-O 3.55Å; S90-S113 WeakPolarHBondContact CA-O 3.17Å; S90-S113 WeakPolarHBondContact CB-O 3.36Å; K91-S113 PolarHBondContact N-O 3.19Å; D111-S113 WeakPolarHBondContact OD1-CB 3.39Å; D111-S113 PolarHBondContact OD1-N 3.14Å; D111-S113 PolarHBondContact OD1-OG 2.69Å; S113-N115 PolarHBondContact O-ND2 3.34Å; S113-N136 CarbonylContact C-O 3.58Å; S113-N136 WeakPolarHBondContact CA-O 3.49Å; S113-N136 WeakPolarHBondContact CB-O 3.28Å; S113-N136 PolarHBondContact OG-N 3.11Å | ||
| 114 | S | 92.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 50.9 | 54.6 | -176 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | K91 N92 N136 D137 | K91-S114 VanDerWaalsContact CA-O 3.25Å; K91-S114 WeakPolarHBondContact CA-O 3.34Å; K91-S114 PolarHBondContact N-O 3.23Å; N92-S114 PolarHBondContact N-O 3.02Å; S114-N136 PolarHBondContact N-O 3.09Å; S114-D137 VanDerWaalsContact CA-O 3.32Å; S114-D137 WeakPolarHBondContact CA-O 3.22Å; S114-D137 WeakPolarHBondContact CA-OD2 3.45Å; S114-D137 WeakPolarHBondContact CB-OD2 3.4Å; S114-D137 PolarHBondContact N-O 2.9Å; S114-D137 PolarHBondContact OG-OD2 3.14Å |
| 115 | N | 90.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -131.6 | 146.2 | 171.1 | -79.5 | -87.8 | 0 | 0 | 0 | 110.1 | V89 N92 I94 L112 S113 I117 I138 | V89-N115 PolarHBondContact O-ND2 3.3Å; N92-N115 VanDerWaalsContact CA-OD1 3.32Å; N92-N115 WeakPolarHBondContact CA-OD1 3.3Å; N92-N115 WeakPolarHBondContact CB-OD1 3.41Å; N92-N115 PolarHBondContact N-OD1 3.26Å; N92-N115 PolarHBondContact O-OD1 3.41Å; I94-N115 HydrophobicContact CB-CB 4.31Å; I94-N115 VanDerWaalsContact CB-OD1 3.24Å; I94-N115 WeakPolarHBondContact CB-OD1 3.32Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.48Å; I94-N115 PolarHBondContact N-OD1 3.09Å; L112-N115 WeakPolarHBondContact O-CB 3.41Å; L112-N115 PolarHBondContact O-ND2 3.14Å; S113-N115 PolarHBondContact O-ND2 3.34Å; N115-I117 HydrophobicContact CB-CD1 3.9Å; N115-I117 HydrophobicContact CB-CG1 3.83Å; N115-I117 PolarHBondContact O-N 3.2Å; N115-I138 WeakPolarHBondContact O-CA 3.48Å; N115-I138 WeakPolarHBondContact O-CG2 3.44Å |
| 116 | P | 86.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 31% | 0.312 | 18% | 0.18 | S | C | . | . | trans | -74.8 | 43.8 | 179.3 | 33 | -37.7 | 0 | 0 | 0 | 114.4 | D93 I94 Q95 N118 | D93-P116 WeakPolarHBondContact O-CG 3.46Å; I94-P116 CarbonylContact O-C 3.44Å; I94-P116 VanDerWaalsContact O-CD 3.3Å; I94-P116 WeakPolarHBondContact O-CD 3.36Å; Q95-P116 HydrophobicContact CG-CG 3.96Å; P116-N118 PolarHBondContact O-N 3.2Å | ||
| 117 | I | 85.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | trans | -76.4 | 107 | -176 | -59.1 | 170 | 0 | 0 | 0 | 110.6 | I94 V97 L112 N115 R119 L120 | I94-I117 HydrophobicContact CG2-CG1 4.49Å; I94-I117 WeakPolarHBondContact O-CG1 3.33Å; I94-I117 PolarHBondContact O-N 3.04Å; V97-I117 HydrophobicContact CG2-CD1 3.99Å; L112-I117 HydrophobicContact CB-CD1 3.82Å; L112-I117 HydrophobicContact CD1-CD1 4.21Å; L112-I117 HydrophobicContact CD2-CD1 4.38Å; L112-I117 HydrophobicContact CG-CD1 4.36Å; N115-I117 HydrophobicContact CB-CD1 3.9Å; N115-I117 HydrophobicContact CB-CG1 3.83Å; N115-I117 PolarHBondContact O-N 3.2Å; I117-R119 WeakPolarHBondContact CG2-O 3.46Å; I117-R119 PolarHBondContact O-N 2.61Å; I117-L120 HydrophobicContact CG2-CD2 4.03Å; I117-L120 HydrophobicContact CG2-CG 4.43Å | ||
| 118 | N | 74.1 | Confident | 88.4 | Confident | 146 Ų | 146 | 35 Ų | 35 | 78% | 0.781 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -71.6 | -29.4 | -177.2 | -68.1 | -67.1 | 0 | 0 | 0 | 114 | P116 | P116-N118 PolarHBondContact O-N 3.2Š|
| 119 | R | 79.9 | Confident | 88.3 | Confident | 174 Ų | 174 | 37.8 Ų | 37.8 | 66% | 0.657 | 20% | 0.2 | S | C | * | . | trans | -155.5 | 139.4 | 175.3 | 177.8 | 173.8 | 177.7 | -177.9 | -0.3 | 109.7 | I117 E122 | I117-R119 WeakPolarHBondContact CG2-O 3.46Å; I117-R119 PolarHBondContact O-N 2.61Å; R119-E122 IonicContact CZ-OE1 3.94Å; R119-E122 IonicContact NH2-OE1 3.68Å; R119-E122 PolarHBondContact NH2-OE1 3.17Å | ||
| 120 | L | 84.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | trans | -85.1 | 136.3 | 167.2 | -65.3 | 165.7 | 0 | 0 | 0 | 109.7 | V97 L112 I117 F125 L135 I138 M140 | V97-L120 HydrophobicContact CG2-CD2 4.43Å; L112-L120 HydrophobicContact CD1-CD2 3.53Å; I117-L120 HydrophobicContact CG2-CD2 4.03Å; I117-L120 HydrophobicContact CG2-CG 4.43Å; L120-F125 HydrophobicContact CB-CE2 4.08Å; L120-F125 HydrophobicContact CB-CZ 3.88Å; L120-F125 HydrophobicContact CD1-CE1 4.44Å; L120-F125 HydrophobicContact CD1-CZ 3.81Å; L120-L135 HydrophobicContact CD1-CD1 3.73Å; L120-L135 HydrophobicContact CD1-CD2 3.69Å; L120-L135 HydrophobicContact CD1-CG 4.37Å; L120-L135 HydrophobicContact CD2-CD2 4.28Å; L120-I138 HydrophobicContact CD1-CD1 4.21Å; L120-I138 HydrophobicContact CG-CD1 4.42Å; L120-M140 HydrophobicContact CD1-SD 4.05Å | ||
| 121 | P | 84.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 39 Ų | 39 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | trans | -66.7 | 146.2 | 174 | 29.5 | -35.9 | 0 | 0 | 0 | 110.8 | V97 D99 C123 V124 | V97-P121 HydrophobicContact CB-CG 4.3Å; V97-P121 HydrophobicContact CG1-CG 4.34Å; V97-P121 WeakPolarHBondContact O-CG 3.43Å; D99-P121 VanDerWaalsContact OD1-CB 3.28Å; D99-P121 WeakPolarHBondContact OD1-CB 3.45Å; P121-C123 HydrophobicContact CB-CB 4.5Å; P121-C123 PolarHBondContact O-N 2.79Å; P121-C123 VanDerWaalsContact O-N 3.09Å; P121-V124 HydrophobicContact CG-CG2 3.85Å; P121-V124 PolarHBondContact O-N 2.8Å | ||
| 122 | E | 84.5 | Confident | 88.1 | Confident | 89 Ų | 89 | 39.7 Ų | 39.7 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.2 | 180 | -71.7 | 163.8 | -143.6 | 0 | 0 | 112.4 | R119 V124 F125 Q126 E146 | R119-E122 IonicContact CZ-OE1 3.94Å; R119-E122 IonicContact NH2-OE1 3.68Å; R119-E122 PolarHBondContact NH2-OE1 3.17Å; E122-V124 VanDerWaalsContact C-N 3.33Å; E122-V124 PolarHBondContact O-N 3Å; E122-F125 PolarHBondContact O-N 2.67Å; E122-Q126 PolarHBondContact O-NE2 3.4Å; E122-E146 HydrophobicContact CG-CG 4.28Å |
| 123 | C | 82.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.3 | 173.5 | -71 | 0 | 0 | 0 | 0 | 114.5 | D99 R102 P121 F125 Q126 | D99-C123 HydrophobicContact CB-CB 4.34Å; D99-C123 WeakPolarHBondContact OD1-CB 3.45Å; D99-C123 PolarHBondContact OD1-SG 2.82Å; R102-C123 HydrophobicContact CB-CB 3.99Å; P121-C123 HydrophobicContact CB-CB 4.5Å; P121-C123 PolarHBondContact O-N 2.79Å; P121-C123 VanDerWaalsContact O-N 3.09Å; C123-F125 VanDerWaalsContact C-N 3.33Å; C123-F125 PolarHBondContact O-N 2.8Å; C123-Q126 WeakPolarHBondContact O-CB 3.45Å; C123-Q126 PolarHBondContact O-N 3.03Å |
| 124 | V | 87 | Confident | 88.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -66 | -36 | 176.4 | 161.4 | 0 | 0 | 0 | 0 | 111.4 | V97 I101 P121 E122 Q126 L127 | V97-V124 HydrophobicContact CG1-CG2 4.13Å; I101-V124 HydrophobicContact CG2-CG2 3.64Å; P121-V124 HydrophobicContact CG-CG2 3.85Å; P121-V124 PolarHBondContact O-N 2.8Å; E122-V124 VanDerWaalsContact C-N 3.33Å; E122-V124 PolarHBondContact O-N 3Å; V124-Q126 PolarHBondContact O-N 3.07Å; V124-Q126 VanDerWaalsContact O-N 3.15Å; V124-L127 WeakPolarHBondContact O-CB 3.25Å; V124-L127 WeakPolarHBondContact O-CG 3.4Å; V124-L127 PolarHBondContact O-N 2.95Å |
| 125 | F | 86.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -76.8 | 1.7 | 179.8 | -48.6 | -71.8 | 0 | 0 | 0 | 113.5 | L120 E122 C123 L133 P144 E146 I147 Q149 L150 | L120-F125 HydrophobicContact CB-CE2 4.08Å; L120-F125 HydrophobicContact CB-CZ 3.88Å; L120-F125 HydrophobicContact CD1-CE1 4.44Å; L120-F125 HydrophobicContact CD1-CZ 3.81Å; E122-F125 PolarHBondContact O-N 2.67Å; C123-F125 VanDerWaalsContact C-N 3.33Å; C123-F125 PolarHBondContact O-N 2.8Å; F125-L133 HydrophobicContact CE1-CD2 4.35Å; F125-P144 HydrophobicContact CD2-CG 4.01Å; F125-P144 HydrophobicContact CE1-CG 4.13Å; F125-P144 HydrophobicContact CE2-CB 4.45Å; F125-P144 HydrophobicContact CE2-CG 3.34Å; F125-P144 HydrophobicContact CZ-CG 3.4Å; F125-E146 HydrophobicContact CB-CB 3.91Å; F125-E146 WeakPolarHBondContact CB-O 3.4Å; F125-E146 HydrophobicContact CD2-CB 3.94Å; F125-E146 HydrophobicContact CG-CB 4.08Å; F125-I147 HydrophobicContact CD1-CB 4.34Å; F125-I147 HydrophobicContact CD1-CD1 3.73Å; F125-I147 HydrophobicContact CE1-CD1 3.68Å; F125-Q149 WeakPolarHBondContact O-CB 3.39Å; F125-L150 HydrophobicContact CB-CG 4.38Å; F125-L150 HydrophobicContact CD1-CD1 4.02Å; F125-L150 VanDerWaalsContact O-CD2 3.25Å; F125-L150 WeakPolarHBondContact O-CD2 3.32Å |
| 126 | Q | 83.5 | Confident | 88.3 | Confident | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -103.2 | 5.3 | 177.1 | -61.1 | 168.4 | 45.4 | 0 | 0 | 112.3 | E122 C123 V124 A128 | E122-Q126 PolarHBondContact O-NE2 3.4Å; C123-Q126 WeakPolarHBondContact O-CB 3.45Å; C123-Q126 PolarHBondContact O-N 3.03Å; V124-Q126 PolarHBondContact O-N 3.07Å; V124-Q126 VanDerWaalsContact O-N 3.15Å; Q126-A128 VanDerWaalsContact C-N 3.33Å; Q126-A128 PolarHBondContact O-N 2.77Å |
| 127 | L | 90 | Very high | 88.4 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -72.1 | 85.3 | 171.3 | -67.3 | 174.7 | 0 | 0 | 0 | 109.8 | L107 V110 V124 N129 L130 L150 | L107-L127 HydrophobicContact CB-CD1 4.22Å; L107-L127 HydrophobicContact CB-CD2 4.4Å; L107-L127 HydrophobicContact CD1-CD1 3.89Å; L107-L127 HydrophobicContact CD1-CD2 4.29Å; V110-L127 HydrophobicContact CG2-CD1 4.46Å; V124-L127 WeakPolarHBondContact O-CB 3.25Å; V124-L127 WeakPolarHBondContact O-CG 3.4Å; V124-L127 PolarHBondContact O-N 2.95Å; L127-N129 PolarHBondContact O-N 3.5Å; L127-L130 HydrophobicContact CB-CB 4.1Å; L127-L130 WeakPolarHBondContact O-CB 3.37Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-L150 HydrophobicContact CB-CD2 4.38Å; L127-L150 VanDerWaalsContact O-CD2 3.28Å; L127-L150 WeakPolarHBondContact O-CD2 3.39Å | ||
| 128 | A | 87.9 | Confident | 88.5 | Confident | 67 Ų | 67 | 37 Ų | 37 | 55% | 0.554 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q126 T152 | Q126-A128 VanDerWaalsContact C-N 3.33Å; Q126-A128 PolarHBondContact O-N 2.77Å; A128-T152 WeakPolarHBondContact O-CG2 3.46Å; A128-T152 PolarHBondContact O-OG1 2.81Å; A128-T152 VanDerWaalsContact O-OG1 3.11Å |
| 129 | N | 92.8 | Very high | 89 | Confident | 80 Ų | 80 | 31.7 Ų | 31.7 | 43% | 0.428 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.6 | 177.4 | -70.1 | -33.2 | 0 | 0 | 0 | 113.4 | R105 L107 L127 T131 | R105-N129 PolarHBondContact O-ND2 3Å; L107-N129 CarbonylContact O-C 3.38Å; L127-N129 PolarHBondContact O-N 3.5Å; N129-T131 WeakPolarHBondContact O-CG2 3.43Å; N129-T131 PolarHBondContact O-N 2.66Å |
| 130 | L | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -66.9 | 120.7 | -170.7 | -162.3 | 69.4 | 0 | 0 | 0 | 111.3 | L107 V110 L127 Y132 L133 L150 T152 L153 | L107-L130 HydrophobicContact CB-CD1 4.49Å; L107-L130 WeakPolarHBondContact O-CA 3.46Å; L107-L130 PolarHBondContact O-N 2.81Å; V110-L130 HydrophobicContact CB-CD1 3.99Å; V110-L130 HydrophobicContact CG2-CD1 3.67Å; L127-L130 HydrophobicContact CB-CB 4.1Å; L127-L130 WeakPolarHBondContact O-CB 3.37Å; L127-L130 PolarHBondContact O-N 2.94Å; L130-Y132 WeakPolarHBondContact CD1-O 3.39Å; L130-Y132 WeakPolarHBondContact CG-O 3.4Å; L130-L133 HydrophobicContact CD2-CB 4Å; L130-L133 HydrophobicContact CD2-CD1 4.21Å; L130-L133 HydrophobicContact CD2-CD2 4.12Å; L130-L133 HydrophobicContact CD2-CG 4.33Å; L130-L150 HydrophobicContact CB-CD2 4.1Å; L130-L150 HydrophobicContact CD2-CD1 4.03Å; L130-L150 HydrophobicContact CD2-CD2 4.26Å; L130-T152 PolarHBondContact N-OG1 2.93Å; L130-T152 CarbonylContact O-C 3.54Å; L130-T152 WeakPolarHBondContact O-CB 3.38Å; L130-T152 PolarHBondContact O-OG1 2.84Å; L130-L153 HydrophobicContact CD2-CD1 4.33Å; L130-L153 HydrophobicContact CG-CD1 4.16Å; L130-L153 VanDerWaalsContact O-CA 3.3Å; L130-L153 WeakPolarHBondContact O-CA 3.46Å; L130-L153 PolarHBondContact O-N 3.14Å | ||
| 131 | T | 95 | Very high | 89.2 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 27% | 0.27 | 17% | 0.165 | S | C | . | . | trans | -104.4 | -30.6 | -179.2 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | A108 N129 E154 S155 | A108-T131 HydrophobicContact CB-CG2 4.44Å; A108-T131 WeakPolarHBondContact O-CA 3.03Å; A108-T131 PolarHBondContact O-N 2.76Å; A108-T131 PolarHBondContact O-OG1 3.06Å; N129-T131 WeakPolarHBondContact O-CG2 3.43Å; N129-T131 PolarHBondContact O-N 2.66Å; T131-E154 WeakPolarHBondContact O-CA 3.39Å; T131-E154 PolarHBondContact O-N 2.82Å; T131-S155 PolarHBondContact O-N 3.41Å | ||
| 132 | Y | 96.6 | Very high | 89.3 | Confident | 24 Ų | 24 | 31 Ų | 31 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.7 | 175.4 | 174.2 | -79.8 | 0 | 0 | 0 | 110.5 | A108 Y109 V110 D111 L130 S155 E157 | A108-Y132 PolarHBondContact O-N 3Å; Y109-Y132 HydrophobicContact CD1-CD1 4.31Å; Y109-Y132 AromaticContact CD2-CD1 3.28Å; Y109-Y132 HydrophobicContact CD2-CD1 3.28Å; Y109-Y132 HydrophobicContact CD2-CD2 4.21Å; Y109-Y132 AromaticContact CD2-CE1 3.96Å; Y109-Y132 HydrophobicContact CD2-CE1 3.96Å; Y109-Y132 AromaticContact CD2-CG 3.42Å; Y109-Y132 HydrophobicContact CD2-CG 3.42Å; Y109-Y132 VanDerWaalsContact CD2-CG 3.42Å; Y109-Y132 HydrophobicContact CE1-CD1 4.21Å; Y109-Y132 HydrophobicContact CE1-CE1 4.11Å; Y109-Y132 AromaticContact CE2-CD1 3.17Å; Y109-Y132 HydrophobicContact CE2-CD1 3.17Å; Y109-Y132 AromaticContact CE2-CD2 3.87Å; Y109-Y132 HydrophobicContact CE2-CD2 3.87Å; Y109-Y132 AromaticContact CE2-CE1 3.35Å; Y109-Y132 HydrophobicContact CE2-CE1 3.35Å; Y109-Y132 HydrophobicContact CE2-CE2 4.04Å; Y109-Y132 AromaticContact CE2-CG 3.45Å; Y109-Y132 HydrophobicContact CE2-CG 3.45Å; Y109-Y132 VanDerWaalsContact CE2-CG 3.45Å; Y109-Y132 AromaticContact CE2-CZ 3.79Å; Y109-Y132 AromaticContact CG-CD1 3.88Å; Y109-Y132 HydrophobicContact CG-CD1 3.88Å; Y109-Y132 HydrophobicContact CG-CG 4.35Å; Y109-Y132 AromaticContact CZ-CD1 3.67Å; Y109-Y132 AromaticContact CZ-CE1 3.43Å; Y109-Y132 VanDerWaalsContact CZ-CE1 3.43Å; Y109-Y132 AromaticContact CZ-CZ 3.96Å; V110-Y132 PolarHBondContact N-O 3.02Å; D111-Y132 HydrophobicContact CB-CE1 4.05Å; D111-Y132 WeakPolarHBondContact OD2-CE1 3.17Å; D111-Y132 PolarHBondContact OD2-OH 2.72Å; L130-Y132 WeakPolarHBondContact CD1-O 3.39Å; L130-Y132 WeakPolarHBondContact CG-O 3.4Å; Y132-S155 WeakPolarHBondContact CA-O 3.46Å; Y132-E157 HydrophobicContact CE2-CG 4.24Å |
| 133 | L | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 106.3 | 174.5 | 179.8 | 50.1 | 0 | 0 | 0 | 109.9 | V110 F125 L130 L135 I147 L150 L153 S155 L156 E157 | V110-L133 HydrophobicContact CB-CD1 4.47Å; V110-L133 HydrophobicContact CG1-CD1 4.37Å; V110-L133 WeakPolarHBondContact O-CA 3.14Å; F125-L133 HydrophobicContact CE1-CD2 4.35Å; L130-L133 HydrophobicContact CD2-CB 4Å; L130-L133 HydrophobicContact CD2-CD1 4.21Å; L130-L133 HydrophobicContact CD2-CD2 4.12Å; L130-L133 HydrophobicContact CD2-CG 4.33Å; L133-L135 HydrophobicContact CD1-CD1 4.21Å; L133-L135 HydrophobicContact CD1-CD2 3.77Å; L133-L135 HydrophobicContact CD1-CG 3.87Å; L133-L135 HydrophobicContact CD2-CD1 4.03Å; L133-L135 HydrophobicContact CG-CD1 3.87Å; L133-L135 HydrophobicContact CG-CD2 4.31Å; L133-L135 HydrophobicContact CG-CG 3.85Å; L133-I147 HydrophobicContact CD2-CD1 3.98Å; L133-L150 HydrophobicContact CD2-CD1 3.79Å; L133-L153 HydrophobicContact CB-CD1 3.76Å; L133-L153 HydrophobicContact CB-CD2 4.36Å; L133-S155 PolarHBondContact N-O 3.35Å; L133-S155 VanDerWaalsContact N-O 3.08Å; L133-L156 HydrophobicContact CB-CD1 4.12Å; L133-L156 HydrophobicContact CD2-CD1 4.2Å; L133-L156 HydrophobicContact CG-CD1 4.06Å; L133-E157 PolarHBondContact O-N 2.82Å |
| 134 | G | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V110 L112 | V110-G134 PolarHBondContact O-N 2.9Å; L112-G134 PolarHBondContact N-O 2.83Å |
| 135 | L | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -133.7 | 32.7 | -177.4 | -58 | 176.7 | 0 | 0 | 0 | 110.8 | L112 L120 L133 I138 M140 L143 L156 E157 A158 N161 | L112-L135 HydrophobicContact CB-CD2 4.17Å; L112-L135 HydrophobicContact CD1-CD2 3.93Å; L112-L135 HydrophobicContact CG-CD2 4.48Å; L120-L135 HydrophobicContact CD1-CD1 3.73Å; L120-L135 HydrophobicContact CD1-CD2 3.69Å; L120-L135 HydrophobicContact CD1-CG 4.37Å; L120-L135 HydrophobicContact CD2-CD2 4.28Å; L133-L135 HydrophobicContact CD1-CD1 4.21Å; L133-L135 HydrophobicContact CD1-CD2 3.77Å; L133-L135 HydrophobicContact CD1-CG 3.87Å; L133-L135 HydrophobicContact CD2-CD1 4.03Å; L133-L135 HydrophobicContact CG-CD1 3.87Å; L133-L135 HydrophobicContact CG-CD2 4.31Å; L133-L135 HydrophobicContact CG-CG 3.85Å; L135-I138 HydrophobicContact CB-CD1 4.07Å; L135-I138 HydrophobicContact CB-CG1 4.3Å; L135-I138 HydrophobicContact CD2-CD1 3.93Å; L135-I138 HydrophobicContact CG-CD1 4.5Å; L135-M140 HydrophobicContact CB-CE 3.71Å; L135-M140 HydrophobicContact CD1-CE 3.84Å; L135-M140 HydrophobicContact CD1-SD 4.33Å; L135-M140 HydrophobicContact CG-CE 4.38Å; L135-L143 HydrophobicContact CD1-CD2 4.19Å; L135-L156 HydrophobicContact CD1-CD1 4.33Å; L135-E157 CarbonylContact C-O 3.59Å; L135-E157 WeakPolarHBondContact CA-O 3.32Å; L135-E157 WeakPolarHBondContact CB-O 3.11Å; L135-E157 PolarHBondContact N-O 2.96Å; L135-A158 HydrophobicContact CB-CB 4.48Å; L135-N161 PolarHBondContact O-ND2 2.61Å | ||
| 136 | N | 91.2 | Very high | 90 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 142.6 | 179.5 | -59 | -51.4 | 0 | 0 | 0 | 110.1 | S113 S114 I138 E157 A158 R159 | S113-N136 CarbonylContact C-O 3.58Å; S113-N136 WeakPolarHBondContact CA-O 3.49Å; S113-N136 WeakPolarHBondContact CB-O 3.28Å; S113-N136 PolarHBondContact OG-N 3.11Å; S114-N136 PolarHBondContact N-O 3.09Å; N136-I138 PolarHBondContact O-N 3.33Å; N136-E157 WeakPolarHBondContact ND2-CB 3.46Å; N136-E157 PolarHBondContact ND2-OE2 2.82Å; N136-E157 VanDerWaalsContact OD1-C 3.28Å; N136-E157 WeakPolarHBondContact OD1-CB 3.47Å; N136-A158 PolarHBondContact OD1-N 2.9Å; N136-R159 CarbonylContact C-O 3.53Å; N136-R159 WeakPolarHBondContact CA-O 3.28Å; N136-R159 HydrophobicContact CB-CG 4.09Å; N136-R159 WeakPolarHBondContact OD1-CG 3.28Å; N136-R159 PolarHBondContact OD1-N 2.93Å |
| 137 | D | 88.9 | Confident | 90.3 | Very high | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.1 | 176.1 | -178.9 | 39.9 | 0 | 0 | 0 | 114.3 | S114 R159 E160 R1349 | S114-D137 VanDerWaalsContact CA-O 3.32Å; S114-D137 WeakPolarHBondContact CA-O 3.22Å; S114-D137 WeakPolarHBondContact CA-OD2 3.45Å; S114-D137 WeakPolarHBondContact CB-OD2 3.4Å; S114-D137 PolarHBondContact N-O 2.9Å; S114-D137 PolarHBondContact OG-OD2 3.14Å; D137-R159 PolarHBondContact N-O 2.62Å; D137-E160 HydrophobicContact CB-CB 4.12Å; D137-R1349 WeakPolarHBondContact OD1-CD 3.47Å |
| 138 | I | 88 | Confident | 90.2 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -115.7 | 20.6 | 171.9 | 68.8 | 155.9 | 0 | 0 | 0 | 113.2 | L112 N115 L120 L135 N136 M140 N161 | L112-I138 WeakPolarHBondContact O-CG2 3.33Å; N115-I138 WeakPolarHBondContact O-CA 3.48Å; N115-I138 WeakPolarHBondContact O-CG2 3.44Å; L120-I138 HydrophobicContact CD1-CD1 4.21Å; L120-I138 HydrophobicContact CG-CD1 4.42Å; L135-I138 HydrophobicContact CB-CD1 4.07Å; L135-I138 HydrophobicContact CB-CG1 4.3Å; L135-I138 HydrophobicContact CD2-CD1 3.93Å; L135-I138 HydrophobicContact CG-CD1 4.5Å; N136-I138 PolarHBondContact O-N 3.33Å; I138-M140 HydrophobicContact CD1-CE 3.86Å; I138-M140 HydrophobicContact CD1-CG 3.78Å; I138-M140 HydrophobicContact CD1-SD 3.81Å; I138-M140 HydrophobicContact CG1-CE 3.92Å; I138-M140 HydrophobicContact CG1-CG 3.9Å; I138-M140 HydrophobicContact CG1-SD 4.32Å; I138-M140 PolarHBondContact O-N 3.01Å; I138-M140 VanDerWaalsContact O-N 3.1Å; I138-N161 VanDerWaalsContact C-OD1 3.3Å; I138-N161 PolarHBondContact N-OD1 2.88Å |
| 139 | S | 83.5 | Confident | 90.3 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | trans | 61.4 | 10 | 176.3 | -41.4 | 0 | 0 | 0 | 0 | 117.4 | T141 N161 R1349 | S139-T141 PolarHBondContact O-N 2.96Å; S139-N161 PolarHBondContact N-OD1 3.47Å; S139-R1349 PolarHBondContact OG-NH1 3.27Å | ||
| 140 | M | 84 | Confident | 90.3 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | trans | -57.6 | 128.2 | -176.1 | -80.9 | -175.2 | -55.9 | 0 | 0 | 112.4 | L120 L135 I138 L143 A158 N161 L162 L163 | L120-M140 HydrophobicContact CD1-SD 4.05Å; L135-M140 HydrophobicContact CB-CE 3.71Å; L135-M140 HydrophobicContact CD1-CE 3.84Å; L135-M140 HydrophobicContact CD1-SD 4.33Å; L135-M140 HydrophobicContact CG-CE 4.38Å; I138-M140 HydrophobicContact CD1-CE 3.86Å; I138-M140 HydrophobicContact CD1-CG 3.78Å; I138-M140 HydrophobicContact CD1-SD 3.81Å; I138-M140 HydrophobicContact CG1-CE 3.92Å; I138-M140 HydrophobicContact CG1-CG 3.9Å; I138-M140 HydrophobicContact CG1-SD 4.32Å; I138-M140 PolarHBondContact O-N 3.01Å; I138-M140 VanDerWaalsContact O-N 3.1Å; M140-L143 HydrophobicContact CE-CD2 3.7Å; M140-L143 HydrophobicContact CE-CG 4.46Å; M140-L143 HydrophobicContact SD-CD2 3.74Å; M140-A158 HydrophobicContact CE-CB 4.32Å; M140-N161 HydrophobicContact CB-CB 4.35Å; M140-N161 PolarHBondContact N-OD1 2.7Å; M140-L162 CarbonylContact O-C 3.57Å; M140-L162 VanDerWaalsContact O-C 3.24Å; M140-L162 WeakPolarHBondContact O-CA 3.24Å; M140-L162 PolarHBondContact O-N 3.08Å; M140-L163 HydrophobicContact CB-CD2 3.93Å; M140-L163 PolarHBondContact O-N 3.23Å | ||
| 141 | T | 85.1 | Confident | 90 | Very high | 97 Ų | 97 | 31.1 Ų | 31.1 | 60% | 0.595 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -85.9 | -22.5 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | S139 L162 | S139-T141 PolarHBondContact O-N 2.96Å; T141-L162 HydrophobicContact CG2-CB 4.18Å; T141-L162 HydrophobicContact CG2-CD1 4.3Å |
| 142 | S | 87.2 | Confident | 89.9 | Confident | 70 Ų | 70 | 30.8 Ų | 30.8 | 49% | 0.49 | 18% | 0.184 | S | C | . | . | trans | -154.8 | 156 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | L163 | S142-L163 VanDerWaalsContact C-CD2 3.47Š| ||
| 143 | L | 87.7 | Confident | 89.7 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -93.5 | 136.6 | 166.2 | -78.3 | 166.7 | 0 | 0 | 0 | 109.1 | L135 M140 L156 L163 L166 P167 | L135-L143 HydrophobicContact CD1-CD2 4.19Å; M140-L143 HydrophobicContact CE-CD2 3.7Å; M140-L143 HydrophobicContact CE-CG 4.46Å; M140-L143 HydrophobicContact SD-CD2 3.74Å; L143-L156 HydrophobicContact CD1-CD2 4.2Å; L143-L163 HydrophobicContact CD1-CD1 4.13Å; L143-L163 HydrophobicContact CG-CD1 4.27Å; L143-L163 HydrophobicContact CG-CD2 4.12Å; L143-L166 HydrophobicContact CD1-CD2 3.82Å; L143-P167 HydrophobicContact CB-CG 4.1Å; L143-P167 WeakPolarHBondContact O-CG 3.02Å | ||
| 144 | P | 89 | Confident | 89.4 | Confident | 39 Ų | 39 | 32.8 Ų | 32.8 | 25% | 0.253 | 19% | 0.193 | S | C | . | . | trans | -67.3 | 155.8 | 179.5 | 27.4 | -33.1 | 0 | 0 | 0 | 111.7 | F125 E146 I147 | F125-P144 HydrophobicContact CD2-CG 4.01Å; F125-P144 HydrophobicContact CE1-CG 4.13Å; F125-P144 HydrophobicContact CE2-CB 4.45Å; F125-P144 HydrophobicContact CE2-CG 3.34Å; F125-P144 HydrophobicContact CZ-CG 3.4Å; P144-E146 WeakPolarHBondContact CB-OE2 3.25Å; P144-E146 PolarHBondContact O-N 2.86Å; P144-E146 VanDerWaalsContact O-N 3.16Å; P144-I147 WeakPolarHBondContact O-CB 3.42Å; P144-I147 WeakPolarHBondContact O-CG2 3.43Å; P144-I147 PolarHBondContact O-N 2.76Å | ||
| 145 | A | 88.4 | Confident | 89.3 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -64.8 | -21.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I147 G148 S169 | A145-I147 PolarHBondContact O-N 3.47Å; A145-G148 PolarHBondContact O-N 3.16Å; A145-S169 WeakPolarHBondContact CA-OG 3.47Å; A145-S169 WeakPolarHBondContact O-CB 3.09Å; A145-S169 PolarHBondContact O-OG 3.18Å |
| 146 | E | 91 | Very high | 89.2 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -66.5 | -22 | -177.7 | -67.4 | 49.9 | -109.9 | 0 | 0 | 111.1 | E122 F125 P144 G148 Q149 | E122-E146 HydrophobicContact CG-CG 4.28Å; F125-E146 HydrophobicContact CB-CB 3.91Å; F125-E146 WeakPolarHBondContact CB-O 3.4Å; F125-E146 HydrophobicContact CD2-CB 3.94Å; F125-E146 HydrophobicContact CG-CB 4.08Å; P144-E146 WeakPolarHBondContact CB-OE2 3.25Å; P144-E146 PolarHBondContact O-N 2.86Å; P144-E146 VanDerWaalsContact O-N 3.16Å; E146-G148 PolarHBondContact O-N 2.9Å; E146-Q149 VanDerWaalsContact O-CB 3.24Å; E146-Q149 WeakPolarHBondContact O-CB 3.32Å; E146-Q149 VanDerWaalsContact O-CG 3.28Å; E146-Q149 WeakPolarHBondContact O-CG 3.46Å; E146-Q149 PolarHBondContact O-N 2.79Å |
| 147 | I | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -48.8 | -33.4 | 173.6 | -165.8 | 70.7 | 0 | 0 | 0 | 112.7 | F125 L133 P144 A145 Q149 L150 L156 P167 | F125-I147 HydrophobicContact CD1-CB 4.34Å; F125-I147 HydrophobicContact CD1-CD1 3.73Å; F125-I147 HydrophobicContact CE1-CD1 3.68Å; L133-I147 HydrophobicContact CD2-CD1 3.98Å; P144-I147 WeakPolarHBondContact O-CB 3.42Å; P144-I147 WeakPolarHBondContact O-CG2 3.43Å; P144-I147 PolarHBondContact O-N 2.76Å; A145-I147 PolarHBondContact O-N 3.47Å; I147-Q149 PolarHBondContact O-N 2.96Å; I147-L150 HydrophobicContact CD1-CD1 4.15Å; I147-L150 PolarHBondContact O-N 2.9Å; I147-L156 HydrophobicContact CD1-CD1 4.36Å; I147-L156 HydrophobicContact CD1-CD2 4.3Å; I147-L156 HydrophobicContact CG1-CD2 4.29Å; I147-P167 HydrophobicContact CG2-CG 3.6Å |
| 148 | G | 87.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -74.5 | 4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A145 E146 S169 K172 | A145-G148 PolarHBondContact O-N 3.16Å; E146-G148 PolarHBondContact O-N 2.9Å; G148-S169 WeakPolarHBondContact CA-O 3.4Å; G148-K172 VanDerWaalsContact O-CB 3.29Å; G148-K172 WeakPolarHBondContact O-CB 3.49Å; G148-K172 WeakPolarHBondContact O-CD 3.14Å |
| 149 | Q | 90.8 | Very high | 89.3 | Confident | 91 Ų | 91 | 37.6 Ų | 37.6 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -86.8 | -23.5 | 171.8 | -62.1 | 177.8 | 27.6 | 0 | 0 | 112.1 | F125 E146 I147 T151 | F125-Q149 WeakPolarHBondContact O-CB 3.39Å; E146-Q149 VanDerWaalsContact O-CB 3.24Å; E146-Q149 WeakPolarHBondContact O-CB 3.32Å; E146-Q149 VanDerWaalsContact O-CG 3.28Å; E146-Q149 WeakPolarHBondContact O-CG 3.46Å; E146-Q149 PolarHBondContact O-N 2.79Å; I147-Q149 PolarHBondContact O-N 2.96Å; Q149-T151 PolarHBondContact O-N 3.25Å |
| 150 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -74.8 | 59.9 | -179.9 | -63 | 175.1 | 0 | 0 | 0 | 112.4 | F125 L127 L130 L133 I147 T152 L153 L173 | F125-L150 HydrophobicContact CB-CG 4.38Å; F125-L150 HydrophobicContact CD1-CD1 4.02Å; F125-L150 VanDerWaalsContact O-CD2 3.25Å; F125-L150 WeakPolarHBondContact O-CD2 3.32Å; L127-L150 HydrophobicContact CB-CD2 4.38Å; L127-L150 VanDerWaalsContact O-CD2 3.28Å; L127-L150 WeakPolarHBondContact O-CD2 3.39Å; L130-L150 HydrophobicContact CB-CD2 4.1Å; L130-L150 HydrophobicContact CD2-CD1 4.03Å; L130-L150 HydrophobicContact CD2-CD2 4.26Å; L133-L150 HydrophobicContact CD2-CD1 3.79Å; I147-L150 HydrophobicContact CD1-CD1 4.15Å; I147-L150 PolarHBondContact O-N 2.9Å; L150-T152 PolarHBondContact O-N 2.85Å; L150-L153 HydrophobicContact CB-CB 4.07Å; L150-L153 HydrophobicContact CD1-CD2 4.32Å; L150-L153 VanDerWaalsContact O-CB 3.22Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.08Å; L150-L173 HydrophobicContact CB-CD2 4.43Å; L150-L173 VanDerWaalsContact O-CD2 3.22Å; L150-L173 WeakPolarHBondContact O-CD2 3.49Å | ||
| 151 | T | 89.7 | Confident | 89.5 | Confident | 81 Ų | 81 | 38.4 Ų | 38.4 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | -169.2 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | Q149 | Q149-T151 PolarHBondContact O-N 3.25Š|
| 152 | T | 91.8 | Very high | 89.5 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.8 | 172.6 | 44.7 | 0 | 0 | 0 | 0 | 114.8 | A128 L130 L150 E154 | A128-T152 WeakPolarHBondContact O-CG2 3.46Å; A128-T152 PolarHBondContact O-OG1 2.81Å; A128-T152 VanDerWaalsContact O-OG1 3.11Å; L130-T152 PolarHBondContact N-OG1 2.93Å; L130-T152 CarbonylContact O-C 3.54Å; L130-T152 WeakPolarHBondContact O-CB 3.38Å; L130-T152 PolarHBondContact O-OG1 2.84Å; L150-T152 PolarHBondContact O-N 2.85Å; T152-E154 PolarHBondContact O-N 3.12Å; T152-E154 VanDerWaalsContact O-N 3.17Å |
| 153 | L | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -66.3 | 116.2 | -169 | -162.1 | 74.3 | 0 | 0 | 0 | 111.8 | L130 L133 L150 L156 L173 L175 L176 | L130-L153 HydrophobicContact CD2-CD1 4.33Å; L130-L153 HydrophobicContact CG-CD1 4.16Å; L130-L153 VanDerWaalsContact O-CA 3.3Å; L130-L153 WeakPolarHBondContact O-CA 3.46Å; L130-L153 PolarHBondContact O-N 3.14Å; L133-L153 HydrophobicContact CB-CD1 3.76Å; L133-L153 HydrophobicContact CB-CD2 4.36Å; L150-L153 HydrophobicContact CB-CB 4.07Å; L150-L153 HydrophobicContact CD1-CD2 4.32Å; L150-L153 VanDerWaalsContact O-CB 3.22Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.08Å; L153-L156 HydrophobicContact CD2-CB 3.91Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L173 HydrophobicContact CB-CD1 4.48Å; L153-L173 HydrophobicContact CD2-CD1 4.01Å; L153-L175 CarbonylContact O-C 3.47Å; L153-L176 HydrophobicContact CD2-CD1 4.25Å; L153-L176 HydrophobicContact CG-CD1 4.22Å; L153-L176 WeakPolarHBondContact O-CA 3.42Å; L153-L176 WeakPolarHBondContact O-CD1 3.4Å; L153-L176 PolarHBondContact O-N 3.06Å; L153-L176 VanDerWaalsContact O-N 3.14Å | ||
| 154 | E | 90.5 | Very high | 89 | Confident | 65 Ų | 65 | 39.1 Ų | 39.1 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | trans | -95.9 | -29.6 | 178.5 | -57 | -152.2 | 144.7 | 0 | 0 | 112.8 | T131 T152 K177 R178 | T131-E154 WeakPolarHBondContact O-CA 3.39Å; T131-E154 PolarHBondContact O-N 2.82Å; T152-E154 PolarHBondContact O-N 3.12Å; T152-E154 VanDerWaalsContact O-N 3.17Å; E154-K177 HydrophobicContact CB-CD 4.4Å; E154-K177 WeakPolarHBondContact O-CA 3.45Å; E154-K177 PolarHBondContact O-N 3.28Å; E154-K177 WeakPolarHBondContact OE1-CE 3.42Å; E154-K177 IonicContact OE1-NZ 2.79Å; E154-K177 PolarHBondContact OE1-NZ 3.43Å; E154-K177 VanDerWaalsContact OE2-CE 3.31Å; E154-K177 WeakPolarHBondContact OE2-CE 3.46Å; E154-K177 IonicContact OE2-NZ 3.47Å; E154-K177 PolarHBondContact OE2-NZ 2.96Å; E154-R178 PolarHBondContact O-N 3.46Å | ||
| 155 | S | 91.3 | Very high | 88.5 | Confident | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.2 | 177.5 | -160.8 | 0 | 0 | 0 | 0 | 111.4 | T131 Y132 L133 | T131-S155 PolarHBondContact O-N 3.41Å; Y132-S155 WeakPolarHBondContact CA-O 3.46Å; L133-S155 PolarHBondContact N-O 3.35Å; L133-S155 VanDerWaalsContact N-O 3.08Å |
| 156 | L | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.2 | 168 | 178.1 | 60.6 | 0 | 0 | 0 | 108.6 | L133 L135 L143 I147 L153 I170 L176 R178 L179 D180 | L133-L156 HydrophobicContact CB-CD1 4.12Å; L133-L156 HydrophobicContact CD2-CD1 4.2Å; L133-L156 HydrophobicContact CG-CD1 4.06Å; L135-L156 HydrophobicContact CD1-CD1 4.33Å; L143-L156 HydrophobicContact CD1-CD2 4.2Å; I147-L156 HydrophobicContact CD1-CD1 4.36Å; I147-L156 HydrophobicContact CD1-CD2 4.3Å; I147-L156 HydrophobicContact CG1-CD2 4.29Å; L153-L156 HydrophobicContact CD2-CB 3.91Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L156-I170 HydrophobicContact CD2-CD1 3.98Å; L156-L176 HydrophobicContact CB-CD1 4.04Å; L156-R178 PolarHBondContact N-O 2.68Å; L156-L179 HydrophobicContact CB-CD1 3.96Å; L156-L179 HydrophobicContact CD2-CD1 3.91Å; L156-L179 HydrophobicContact CG-CD1 4.03Å; L156-L179 WeakPolarHBondContact O-CA 3.32Å; L156-D180 PolarHBondContact O-N 2.55Å |
| 157 | E | 92 | Very high | 88 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.8 | 172.5 | -53.3 | -163.9 | -174.9 | 0 | 0 | 108.7 | Y132 L133 L135 N136 | Y132-E157 HydrophobicContact CE2-CG 4.24Å; L133-E157 PolarHBondContact O-N 2.82Å; L135-E157 CarbonylContact C-O 3.59Å; L135-E157 WeakPolarHBondContact CA-O 3.32Å; L135-E157 WeakPolarHBondContact CB-O 3.11Å; L135-E157 PolarHBondContact N-O 2.96Å; N136-E157 WeakPolarHBondContact ND2-CB 3.46Å; N136-E157 PolarHBondContact ND2-OE2 2.82Å; N136-E157 VanDerWaalsContact OD1-C 3.28Å; N136-E157 WeakPolarHBondContact OD1-CB 3.47Å |
| 158 | A | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -142.3 | 35 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L135 N136 M140 N161 L163 D180 N184 | L135-A158 HydrophobicContact CB-CB 4.48Å; N136-A158 PolarHBondContact OD1-N 2.9Å; M140-A158 HydrophobicContact CE-CB 4.32Å; A158-N161 VanDerWaalsContact C-ND2 3.27Å; A158-N161 PolarHBondContact O-ND2 2.67Å; A158-L163 HydrophobicContact CB-CD1 4.05Å; A158-D180 PolarHBondContact N-O 2.6Å; A158-N184 PolarHBondContact O-ND2 2.97Å | ||
| 159 | R | 87.1 | Confident | 87.3 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 168.5 | -179.6 | 91.7 | -162.7 | -172 | -138.1 | -9.5 | 111.9 | N136 D137 N161 D180 G182 | N136-R159 CarbonylContact C-O 3.53Å; N136-R159 WeakPolarHBondContact CA-O 3.28Å; N136-R159 HydrophobicContact CB-CG 4.09Å; N136-R159 WeakPolarHBondContact OD1-CG 3.28Å; N136-R159 PolarHBondContact OD1-N 2.93Å; D137-R159 PolarHBondContact N-O 2.62Å; R159-N161 PolarHBondContact O-N 3.2Å; R159-N161 PolarHBondContact O-ND2 3Å; R159-N161 VanDerWaalsContact O-ND2 3.17Å; R159-D180 WeakPolarHBondContact CD-OD2 3.35Å; R159-D180 IonicContact NH1-OD2 3.01Å; R159-G182 CarbonylContact C-O 3.58Å; R159-G182 WeakPolarHBondContact CA-O 3.46Å; R159-G182 WeakPolarHBondContact CB-O 3.32Å |
| 160 | E | 85.8 | Confident | 87 | Confident | 75 Ų | 75 | 37.8 Ų | 37.8 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 5.9 | 177.2 | -69.5 | 160.2 | -107.5 | 0 | 0 | 115.3 | D137 G182 R210 | D137-E160 HydrophobicContact CB-CB 4.12Å; E160-G182 PolarHBondContact N-O 2.62Å; E160-R210 PolarHBondContact O-NH2 2.89Å |
| 161 | N | 86 | Confident | 86.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -81.7 | -166.8 | 174.5 | -73.3 | -66.1 | 0 | 0 | 0 | 113 | L135 I138 S139 M140 A158 R159 L163 N184 R210 | L135-N161 PolarHBondContact O-ND2 2.61Å; I138-N161 VanDerWaalsContact C-OD1 3.3Å; I138-N161 PolarHBondContact N-OD1 2.88Å; S139-N161 PolarHBondContact N-OD1 3.47Å; M140-N161 HydrophobicContact CB-CB 4.35Å; M140-N161 PolarHBondContact N-OD1 2.7Å; A158-N161 VanDerWaalsContact C-ND2 3.27Å; A158-N161 PolarHBondContact O-ND2 2.67Å; R159-N161 PolarHBondContact O-N 3.2Å; R159-N161 PolarHBondContact O-ND2 3Å; R159-N161 VanDerWaalsContact O-ND2 3.17Å; N161-L163 HydrophobicContact CB-CG 4.03Å; N161-N184 WeakPolarHBondContact CA-OD1 3.25Å; N161-N184 WeakPolarHBondContact CB-OD1 3.22Å; N161-N184 PolarHBondContact O-OD1 3.02Å; N161-R210 PolarHBondContact O-NE 2.91Å; N161-R210 PolarHBondContact O-NH2 3.23Å; N161-R210 VanDerWaalsContact O-NH2 3.15Å |
| 162 | L | 85.7 | Confident | 85.9 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | trans | -113.3 | 23.6 | 178.8 | -58.1 | 177 | 0 | 0 | 0 | 112 | M140 T141 R164 N184 | M140-L162 CarbonylContact O-C 3.57Å; M140-L162 VanDerWaalsContact O-C 3.24Å; M140-L162 WeakPolarHBondContact O-CA 3.24Å; M140-L162 PolarHBondContact O-N 3.08Å; T141-L162 HydrophobicContact CG2-CB 4.18Å; T141-L162 HydrophobicContact CG2-CD1 4.3Å; L162-R164 PolarHBondContact O-N 3.17Å; L162-N184 PolarHBondContact N-OD1 3.24Å | ||
| 163 | L | 83.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -63.9 | 123.1 | -174.7 | -57.4 | 175.5 | 0 | 0 | 0 | 111 | M140 S142 L143 A158 N161 L166 N184 E185 F186 | M140-L163 HydrophobicContact CB-CD2 3.93Å; M140-L163 PolarHBondContact O-N 3.23Å; S142-L163 VanDerWaalsContact C-CD2 3.47Å; L143-L163 HydrophobicContact CD1-CD1 4.13Å; L143-L163 HydrophobicContact CG-CD1 4.27Å; L143-L163 HydrophobicContact CG-CD2 4.12Å; A158-L163 HydrophobicContact CB-CD1 4.05Å; N161-L163 HydrophobicContact CB-CG 4.03Å; L163-L166 HydrophobicContact CD1-CD2 4.44Å; L163-N184 HydrophobicContact CB-CB 4.25Å; L163-N184 WeakPolarHBondContact CB-OD1 3.32Å; L163-N184 VanDerWaalsContact CG-OD1 3.29Å; L163-N184 WeakPolarHBondContact CG-OD1 3.36Å; L163-N184 PolarHBondContact N-OD1 3.24Å; L163-E185 CarbonylContact O-C 3.21Å; L163-E185 WeakPolarHBondContact O-CA 3.49Å; L163-E185 PolarHBondContact O-N 3.25Å; L163-F186 HydrophobicContact CB-CE2 4.33Å; L163-F186 HydrophobicContact CB-CZ 3.97Å; L163-F186 PolarHBondContact O-N 3.05Å | ||
| 164 | R | 79.8 | Confident | 84.9 | Confident | 148 Ų | 148 | 45.7 Ų | 45.7 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -95.8 | -23 | 175.5 | -66.9 | 178.6 | 179.2 | 168.1 | 3.3 | 113.5 | L162 E185 F186 | L162-R164 PolarHBondContact O-N 3.17Å; R164-E185 HydrophobicContact CG-CB 3.76Å; R164-E185 IonicContact CZ-OE2 3Å; R164-E185 IonicContact NE-OE2 3.86Å; R164-E185 PolarHBondContact NE-OE2 2.78Å; R164-E185 IonicContact NH2-OE1 2.61Å; R164-E185 IonicContact NH2-OE2 3.65Å; R164-E185 PolarHBondContact NH2-OE2 3.16Å; R164-F186 WeakPolarHBondContact O-CD1 3.48Å |
| 165 | S | 79.6 | Confident | 84.7 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | trans | -154.4 | 163.9 | 178.1 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 166 | L | 82.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -104.4 | 141.9 | 168.9 | -64.6 | -178.5 | 0 | 0 | 0 | 109.1 | L143 L163 I170 L179 V181 F186 I191 V194 L195 | L143-L166 HydrophobicContact CD1-CD2 3.82Å; L163-L166 HydrophobicContact CD1-CD2 4.44Å; L166-I170 HydrophobicContact CB-CG2 4.48Å; L166-I170 HydrophobicContact CD1-CD1 4.22Å; L166-L179 HydrophobicContact CD1-CD2 4.07Å; L166-V181 HydrophobicContact CD2-CG1 4.34Å; L166-F186 HydrophobicContact CD2-CE1 4.29Å; L166-F186 HydrophobicContact CD2-CZ 3.96Å; L166-F186 HydrophobicContact CG-CE1 3.95Å; L166-F186 HydrophobicContact CG-CZ 4.01Å; L166-I191 HydrophobicContact CD1-CD1 3.69Å; L166-I191 HydrophobicContact CD1-CG1 3.9Å; L166-I191 HydrophobicContact CG-CD1 4.45Å; L166-V194 HydrophobicContact CB-CG1 3.74Å; L166-L195 HydrophobicContact CD1-CD2 3.76Å | ||
| 167 | P | 85.4 | Confident | 83.7 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | trans | -66.5 | 142.1 | 176.4 | 29.7 | -36.4 | 0 | 0 | 0 | 110.3 | L143 I147 S169 I170 V194 | L143-P167 HydrophobicContact CB-CG 4.1Å; L143-P167 WeakPolarHBondContact O-CG 3.02Å; I147-P167 HydrophobicContact CG2-CG 3.6Å; P167-S169 PolarHBondContact O-N 3.33Å; P167-I170 WeakPolarHBondContact O-CG2 3.19Å; P167-I170 PolarHBondContact O-N 2.98Å; P167-I170 VanDerWaalsContact O-N 3.13Å; P167-V194 WeakPolarHBondContact O-CG1 3.46Å | ||
| 168 | T | 78.8 | Confident | 83.3 | Confident | 113 Ų | 113 | 53 Ų | 53 | 69% | 0.693 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -58.6 | -21.8 | -179.4 | 53 | 0 | 0 | 0 | 0 | 113.2 | I170 S171 V194 | T168-I170 VanDerWaalsContact C-N 3.29Å; T168-I170 PolarHBondContact O-N 2.82Å; T168-S171 WeakPolarHBondContact O-CB 3.39Å; T168-S171 PolarHBondContact O-N 3.41Å; T168-S171 PolarHBondContact O-OG 2.9Å; T168-V194 HydrophobicContact CG2-CG2 4.46Å |
| 169 | S | 84.4 | Confident | 83.2 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.4 | 178.1 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | A145 G148 P167 S171 K172 | A145-S169 WeakPolarHBondContact CA-OG 3.47Å; A145-S169 WeakPolarHBondContact O-CB 3.09Å; A145-S169 PolarHBondContact O-OG 3.18Å; G148-S169 WeakPolarHBondContact CA-O 3.4Å; P167-S169 PolarHBondContact O-N 3.33Å; S169-S171 PolarHBondContact O-N 3.27Å; S169-S171 VanDerWaalsContact O-N 3.07Å; S169-K172 VanDerWaalsContact O-CB 3.26Å; S169-K172 WeakPolarHBondContact O-CB 3.39Å; S169-K172 WeakPolarHBondContact O-CG 3.44Å; S169-K172 PolarHBondContact O-N 3.4Å |
| 170 | I | 84.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -63 | -14.4 | 173.9 | -154.2 | -177.7 | 0 | 0 | 0 | 112.2 | L156 L166 P167 T168 K172 L173 L176 L179 V194 | L156-I170 HydrophobicContact CD2-CD1 3.98Å; L166-I170 HydrophobicContact CB-CG2 4.48Å; L166-I170 HydrophobicContact CD1-CD1 4.22Å; P167-I170 WeakPolarHBondContact O-CG2 3.19Å; P167-I170 PolarHBondContact O-N 2.98Å; P167-I170 VanDerWaalsContact O-N 3.13Å; T168-I170 VanDerWaalsContact C-N 3.29Å; T168-I170 PolarHBondContact O-N 2.82Å; I170-K172 PolarHBondContact O-N 3.44Å; I170-L173 HydrophobicContact CG1-CD1 3.65Å; I170-L173 HydrophobicContact CG1-CG 4.21Å; I170-L173 PolarHBondContact O-N 2.71Å; I170-L176 HydrophobicContact CD1-CD2 4.46Å; I170-L179 HydrophobicContact CD1-CD1 4.33Å; I170-L179 HydrophobicContact CD1-CD2 4.35Å; I170-V194 HydrophobicContact CG2-CG1 3.28Å |
| 171 | S | 75.4 | Confident | 83.2 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -54.2 | -29.9 | 165.1 | 57.5 | 0 | 0 | 0 | 0 | 114 | T168 S169 L173 | T168-S171 WeakPolarHBondContact O-CB 3.39Å; T168-S171 PolarHBondContact O-N 3.41Å; T168-S171 PolarHBondContact O-OG 2.9Å; S169-S171 PolarHBondContact O-N 3.27Å; S169-S171 VanDerWaalsContact O-N 3.07Å; S171-L173 VanDerWaalsContact C-N 3.27Å; S171-L173 PolarHBondContact O-N 3.26Å |
| 172 | K | 82.6 | Confident | 83 | Confident | 114 Ų | 114 | 46.5 Ų | 46.5 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -73.4 | -16.4 | -178.5 | -63 | 175.9 | 176.7 | -178.9 | 0 | 113.4 | G148 S169 I170 K174 | G148-K172 VanDerWaalsContact O-CB 3.29Å; G148-K172 WeakPolarHBondContact O-CB 3.49Å; G148-K172 WeakPolarHBondContact O-CD 3.14Å; S169-K172 VanDerWaalsContact O-CB 3.26Å; S169-K172 WeakPolarHBondContact O-CB 3.39Å; S169-K172 WeakPolarHBondContact O-CG 3.44Å; S169-K172 PolarHBondContact O-N 3.4Å; I170-K172 PolarHBondContact O-N 3.44Å; K172-K174 PolarHBondContact O-N 3.06Å |
| 173 | L | 84.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -78.6 | 70 | -175.8 | -54.8 | -169.4 | 0 | 0 | 0 | 111.2 | L150 L153 I170 S171 L175 L176 S198 | L150-L173 HydrophobicContact CB-CD2 4.43Å; L150-L173 VanDerWaalsContact O-CD2 3.22Å; L150-L173 WeakPolarHBondContact O-CD2 3.49Å; L153-L173 HydrophobicContact CB-CD1 4.48Å; L153-L173 HydrophobicContact CD2-CD1 4.01Å; I170-L173 HydrophobicContact CG1-CD1 3.65Å; I170-L173 HydrophobicContact CG1-CG 4.21Å; I170-L173 PolarHBondContact O-N 2.71Å; S171-L173 VanDerWaalsContact C-N 3.27Å; S171-L173 PolarHBondContact O-N 3.26Å; L173-L175 PolarHBondContact O-N 3.32Å; L173-L176 HydrophobicContact CB-CB 3.91Å; L173-L176 HydrophobicContact CB-CD2 4.32Å; L173-L176 HydrophobicContact CD1-CD2 4.26Å; L173-L176 VanDerWaalsContact O-CB 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.44Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-L176 VanDerWaalsContact O-N 3.14Å; L173-S198 VanDerWaalsContact O-CB 3.25Å; L173-S198 WeakPolarHBondContact O-CB 3.43Å; L173-S198 PolarHBondContact O-OG 3.19Å | ||
| 174 | K | 79.7 | Confident | 82.7 | Confident | 141 Ų | 141 | 46 Ų | 46 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.1 | -173.5 | -69.9 | 177.8 | -178.6 | 177.1 | 0 | 115.2 | K172 S200 | K172-K174 PolarHBondContact O-N 3.06Å; K174-S200 WeakPolarHBondContact O-CB 3.45Å; K174-S200 PolarHBondContact O-OG 2.87Å |
| 175 | L | 85.7 | Confident | 82.6 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 45% | 0.445 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -2.4 | 176.6 | -64.2 | 178.1 | 0 | 0 | 0 | 113.1 | L153 L173 K177 S200 | L153-L175 CarbonylContact O-C 3.47Å; L173-L175 PolarHBondContact O-N 3.32Å; L175-K177 WeakPolarHBondContact O-CG 3.47Å; L175-K177 PolarHBondContact O-N 3.31Å; L175-S200 WeakPolarHBondContact CA-OG 3.5Å |
| 176 | L | 82.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -62.5 | 107.6 | -178.2 | -163.8 | 70.6 | 0 | 0 | 0 | 111 | L153 L156 I170 L173 R178 L179 S200 R201 | L153-L176 HydrophobicContact CD2-CD1 4.25Å; L153-L176 HydrophobicContact CG-CD1 4.22Å; L153-L176 WeakPolarHBondContact O-CA 3.42Å; L153-L176 WeakPolarHBondContact O-CD1 3.4Å; L153-L176 PolarHBondContact O-N 3.06Å; L153-L176 VanDerWaalsContact O-N 3.14Å; L156-L176 HydrophobicContact CB-CD1 4.04Å; I170-L176 HydrophobicContact CD1-CD2 4.46Å; L173-L176 HydrophobicContact CB-CB 3.91Å; L173-L176 HydrophobicContact CB-CD2 4.32Å; L173-L176 HydrophobicContact CD1-CD2 4.26Å; L173-L176 VanDerWaalsContact O-CB 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.44Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-L176 VanDerWaalsContact O-N 3.14Å; L176-R178 WeakPolarHBondContact CD1-O 3.47Å; L176-R178 WeakPolarHBondContact CG-O 3.39Å; L176-L179 HydrophobicContact CD2-CB 4.37Å; L176-S200 PolarHBondContact N-OG 3.37Å; L176-S200 VanDerWaalsContact N-OG 3.14Å; L176-S200 CarbonylContact O-C 3.46Å; L176-S200 PolarHBondContact O-OG 3.35Å; L176-R201 WeakPolarHBondContact O-CA 3.48Å; L176-R201 PolarHBondContact O-N 2.87Å | ||
| 177 | K | 81.6 | Confident | 81 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | trans | -88.5 | -37.8 | 178 | -64.6 | 172.4 | -168.5 | 164.6 | 0 | 111.3 | E154 L175 S200 H202 A203 | E154-K177 HydrophobicContact CB-CD 4.4Å; E154-K177 WeakPolarHBondContact O-CA 3.45Å; E154-K177 PolarHBondContact O-N 3.28Å; E154-K177 WeakPolarHBondContact OE1-CE 3.42Å; E154-K177 IonicContact OE1-NZ 2.79Å; E154-K177 PolarHBondContact OE1-NZ 3.43Å; E154-K177 VanDerWaalsContact OE2-CE 3.31Å; E154-K177 WeakPolarHBondContact OE2-CE 3.46Å; E154-K177 IonicContact OE2-NZ 3.47Å; E154-K177 PolarHBondContact OE2-NZ 2.96Å; L175-K177 WeakPolarHBondContact O-CG 3.47Å; L175-K177 PolarHBondContact O-N 3.31Å; K177-S200 WeakPolarHBondContact CA-O 3.43Å; K177-H202 WeakPolarHBondContact O-CA 3.25Å; K177-H202 PolarHBondContact O-N 3.45Å; K177-A203 PolarHBondContact O-N 3.05Å | ||
| 178 | R | 84.4 | Confident | 79.7 | Confident | 98 Ų | 98 | 45.9 Ų | 45.9 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.2 | -176.5 | -58.2 | -175.8 | 179.9 | -163.8 | 0.8 | 111 | E154 L156 L176 A203 Y1054 | E154-R178 PolarHBondContact O-N 3.46Å; L156-R178 PolarHBondContact N-O 2.68Å; L176-R178 WeakPolarHBondContact CD1-O 3.47Å; L176-R178 WeakPolarHBondContact CG-O 3.39Å; R178-A203 HydrophobicContact CG-CB 4.38Å; R178-Y1054 VanDerWaalsContact NH1-CE2 3.29Å; R178-Y1054 PolarHBondContact NH1-OH 2.97Å |
| 179 | L | 87.7 | Confident | 78.5 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 114.9 | 169 | 177.7 | 63.6 | 0 | 0 | 0 | 109 | L156 L166 I170 L176 V181 L195 A203 L204 S205 | L156-L179 HydrophobicContact CB-CD1 3.96Å; L156-L179 HydrophobicContact CD2-CD1 3.91Å; L156-L179 HydrophobicContact CG-CD1 4.03Å; L156-L179 WeakPolarHBondContact O-CA 3.32Å; L166-L179 HydrophobicContact CD1-CD2 4.07Å; I170-L179 HydrophobicContact CD1-CD1 4.33Å; I170-L179 HydrophobicContact CD1-CD2 4.35Å; L176-L179 HydrophobicContact CD2-CB 4.37Å; L179-V181 HydrophobicContact CD1-CG1 3.71Å; L179-V181 HydrophobicContact CD2-CG1 4.47Å; L179-V181 HydrophobicContact CG-CG1 3.98Å; L179-L195 HydrophobicContact CD2-CD1 4.04Å; L179-L195 HydrophobicContact CD2-CD2 3.45Å; L179-L195 VanDerWaalsContact CD2-CD2 3.45Å; L179-L195 HydrophobicContact CD2-CG 4.42Å; L179-A203 PolarHBondContact N-O 2.59Å; L179-L204 HydrophobicContact CB-CD1 4.17Å; L179-L204 HydrophobicContact CD2-CD1 4.08Å; L179-L204 HydrophobicContact CG-CD1 4.22Å; L179-L204 WeakPolarHBondContact O-CA 3.41Å; L179-S205 PolarHBondContact O-N 2.91Å |
| 180 | D | 86.3 | Confident | 77 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.5 | 168.3 | -172.2 | 4.1 | 0 | 0 | 0 | 110 | L156 A158 R159 G182 S205 | L156-D180 PolarHBondContact O-N 2.55Å; A158-D180 PolarHBondContact N-O 2.6Å; R159-D180 WeakPolarHBondContact CD-OD2 3.35Å; R159-D180 IonicContact NH1-OD2 3.01Å; D180-G182 PolarHBondContact OD1-N 2.94Å; D180-S205 WeakPolarHBondContact OD1-CB 3.25Å; D180-S205 PolarHBondContact OD1-OG 3.12Å |
| 181 | V | 85.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -133.8 | 29 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | L166 L179 N184 F186 I191 S205 L206 L209 | L166-V181 HydrophobicContact CD2-CG1 4.34Å; L179-V181 HydrophobicContact CD1-CG1 3.71Å; L179-V181 HydrophobicContact CD2-CG1 4.47Å; L179-V181 HydrophobicContact CG-CG1 3.98Å; V181-N184 WeakPolarHBondContact O-CB 3.48Å; V181-N184 PolarHBondContact O-ND2 2.9Å; V181-F186 HydrophobicContact CB-CE2 3.89Å; V181-F186 HydrophobicContact CB-CZ 4.23Å; V181-F186 HydrophobicContact CG2-CE2 3.83Å; V181-F186 HydrophobicContact CG2-CZ 4.21Å; V181-I191 HydrophobicContact CG2-CD1 3.58Å; V181-S205 PolarHBondContact N-O 3.26Å; V181-S205 VanDerWaalsContact N-O 3.13Å; V181-L206 HydrophobicContact CG2-CD2 3.83Å; V181-L209 WeakPolarHBondContact O-CD2 3.4Å | ||
| 182 | G | 82.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 166.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R159 E160 D180 N184 R207 | R159-G182 CarbonylContact C-O 3.58Å; R159-G182 WeakPolarHBondContact CA-O 3.46Å; R159-G182 WeakPolarHBondContact CB-O 3.32Å; E160-G182 PolarHBondContact N-O 2.62Å; D180-G182 PolarHBondContact OD1-N 2.94Å; G182-N184 PolarHBondContact O-N 3.3Å; G182-N184 VanDerWaalsContact O-N 3.09Å; G182-N184 PolarHBondContact O-ND2 3.13Å; G182-R207 CarbonylContact C-O 3.49Å; G182-R207 WeakPolarHBondContact CA-O 3.24Å |
| 183 | S | 82.8 | Confident | 73.8 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 27.8 | 174.1 | -55.3 | 0 | 0 | 0 | 0 | 115.5 | R207 S208 R210 | S183-R207 PolarHBondContact N-O 2.82Å; S183-S208 WeakPolarHBondContact CA-O 3.18Å; S183-R210 PolarHBondContact O-NE 2.71Å; S183-R210 PolarHBondContact O-NH2 3.31Å |
| 184 | N | 81 | Confident | 72.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -106.5 | 177.2 | -178.4 | -86.5 | -70 | 0 | 0 | 0 | 113.6 | A158 N161 L162 L163 V181 G182 F186 L209 R210 | A158-N184 PolarHBondContact O-ND2 2.97Å; N161-N184 WeakPolarHBondContact CA-OD1 3.25Å; N161-N184 WeakPolarHBondContact CB-OD1 3.22Å; N161-N184 PolarHBondContact O-OD1 3.02Å; L162-N184 PolarHBondContact N-OD1 3.24Å; L163-N184 HydrophobicContact CB-CB 4.25Å; L163-N184 WeakPolarHBondContact CB-OD1 3.32Å; L163-N184 VanDerWaalsContact CG-OD1 3.29Å; L163-N184 WeakPolarHBondContact CG-OD1 3.36Å; L163-N184 PolarHBondContact N-OD1 3.24Å; V181-N184 WeakPolarHBondContact O-CB 3.48Å; V181-N184 PolarHBondContact O-ND2 2.9Å; G182-N184 PolarHBondContact O-N 3.3Å; G182-N184 VanDerWaalsContact O-N 3.09Å; G182-N184 PolarHBondContact O-ND2 3.13Å; N184-F186 HydrophobicContact CB-CD2 3.69Å; N184-F186 HydrophobicContact CB-CE2 3.52Å; N184-L209 HydrophobicContact CB-CD2 4.04Å; N184-R210 WeakPolarHBondContact O-CB 3.32Å; N184-R210 WeakPolarHBondContact O-CG 3.05Å; N184-R210 PolarHBondContact O-N 3.37Å |
| 185 | E | 77.9 | Confident | 71.5 | Confident | 31 Ų | 31 | 39.2 Ų | 39.2 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | trans | -98 | 27.6 | -175.1 | -71 | -160.3 | -175.6 | 0 | 0 | 115.6 | L163 R164 E187 R210 K211 | L163-E185 CarbonylContact O-C 3.21Å; L163-E185 WeakPolarHBondContact O-CA 3.49Å; L163-E185 PolarHBondContact O-N 3.25Å; R164-E185 HydrophobicContact CG-CB 3.76Å; R164-E185 IonicContact CZ-OE2 3Å; R164-E185 IonicContact NE-OE2 3.86Å; R164-E185 PolarHBondContact NE-OE2 2.78Å; R164-E185 IonicContact NH2-OE1 2.61Å; R164-E185 IonicContact NH2-OE2 3.65Å; R164-E185 PolarHBondContact NH2-OE2 3.16Å; E185-E187 PolarHBondContact O-N 3.23Å; E185-R210 HydrophobicContact CG-CB 4.48Å; E185-K211 HydrophobicContact CB-CD 4.46Å; E185-K211 WeakPolarHBondContact OE2-CE 3.43Å; E185-K211 IonicContact OE2-NZ 3.52Å; E185-K211 PolarHBondContact OE2-NZ 3.33Å | ||
| 186 | F | 70.6 | Confident | 70 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | -61 | 118.4 | -179 | -65.2 | -78.8 | 0 | 0 | 0 | 113 | L163 R164 L166 V181 N184 I191 L209 | L163-F186 HydrophobicContact CB-CE2 4.33Å; L163-F186 HydrophobicContact CB-CZ 3.97Å; L163-F186 PolarHBondContact O-N 3.05Å; R164-F186 WeakPolarHBondContact O-CD1 3.48Å; L166-F186 HydrophobicContact CD2-CE1 4.29Å; L166-F186 HydrophobicContact CD2-CZ 3.96Å; L166-F186 HydrophobicContact CG-CE1 3.95Å; L166-F186 HydrophobicContact CG-CZ 4.01Å; V181-F186 HydrophobicContact CB-CE2 3.89Å; V181-F186 HydrophobicContact CB-CZ 4.23Å; V181-F186 HydrophobicContact CG2-CE2 3.83Å; V181-F186 HydrophobicContact CG2-CZ 4.21Å; N184-F186 HydrophobicContact CB-CD2 3.69Å; N184-F186 HydrophobicContact CB-CE2 3.52Å; F186-I191 HydrophobicContact CZ-CD1 4.49Å; F186-L209 HydrophobicContact CD2-CD1 4.38Å; F186-L209 HydrophobicContact CD2-CD2 3.88Å | ||
| 187 | E | 58.6 | Low | 68.4 | Low | 119 Ų | 119 | 44.3 Ų | 44.3 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | trans | -84.6 | -13.5 | -178.7 | -74.4 | 178.1 | -176.4 | 0 | 0 | 114.1 | E185 K211 | E185-E187 PolarHBondContact O-N 3.23Å; E187-K211 HydrophobicContact CG-CD 3.41Å; E187-K211 VanDerWaalsContact CG-CD 3.41Å; E187-K211 IonicContact OE1-NZ 2.96Å; E187-K211 PolarHBondContact OE1-NZ 2.9Å | ||
| 188 | T | 56.5 | Low | 66.7 | Low | 80 Ų | 80 | 41.2 Ų | 41.2 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -161.7 | 168.8 | -176.3 | -11.7 | 0 | 0 | 0 | 0 | 111.8 | V190 | T188-V190 PolarHBondContact O-N 3.35Š|
| 189 | L | 53.8 | Low | 65 | Low | 46 Ų | 46 | 40.1 Ų | 40.1 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 22.6 | 173.5 | -81.1 | 178.2 | 0 | 0 | 0 | 115.7 | I191 I192 V213 W215 | L189-I191 HydrophobicContact CD2-CG2 4.3Å; L189-I191 PolarHBondContact O-N 3.05Å; L189-I191 VanDerWaalsContact O-N 3.08Å; L189-I192 HydrophobicContact CB-CD1 4.27Å; L189-I192 HydrophobicContact CD1-CD1 3.91Å; L189-I192 HydrophobicContact CD2-CD1 3.42Å; L189-I192 VanDerWaalsContact CD2-CD1 3.42Å; L189-I192 HydrophobicContact CD2-CG1 3.94Å; L189-I192 HydrophobicContact CG-CD1 4.06Å; L189-I192 PolarHBondContact O-N 2.97Å; L189-V213 HydrophobicContact CD2-CG1 4.36Å; L189-W215 HydrophobicContact CD1-CG 4.32Å; L189-W215 HydrophobicContact CD2-CZ2 4.43Å |
| 190 | V | 54 | Low | 63.2 | Low | 63 Ų | 63 | 40.8 Ų | 40.8 | 38% | 0.382 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -51.6 | -33.5 | 172.4 | -172.3 | 0 | 0 | 0 | 0 | 111 | T188 I192 R193 V194 | T188-V190 PolarHBondContact O-N 3.35Å; V190-I192 VanDerWaalsContact C-N 3.33Å; V190-I192 PolarHBondContact O-N 2.69Å; V190-R193 WeakPolarHBondContact O-CB 3.38Å; V190-R193 PolarHBondContact O-N 2.82Å; V190-V194 HydrophobicContact CG1-CG2 4.3Å; V190-V194 WeakPolarHBondContact O-CG2 3.22Å; V190-V194 PolarHBondContact O-N 2.93Å |
| 191 | I | 61.2 | Low | 62 | Low | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -49.9 | -47.7 | 174.4 | -173 | 148.3 | 0 | 0 | 0 | 112.8 | L166 V181 F186 L189 R193 V194 L195 L206 | L166-I191 HydrophobicContact CD1-CD1 3.69Å; L166-I191 HydrophobicContact CD1-CG1 3.9Å; L166-I191 HydrophobicContact CG-CD1 4.45Å; V181-I191 HydrophobicContact CG2-CD1 3.58Å; F186-I191 HydrophobicContact CZ-CD1 4.49Å; L189-I191 HydrophobicContact CD2-CG2 4.3Å; L189-I191 PolarHBondContact O-N 3.05Å; L189-I191 VanDerWaalsContact O-N 3.08Å; I191-R193 VanDerWaalsContact C-N 3.32Å; I191-R193 PolarHBondContact O-N 3.43Å; I191-V194 CarbonylContact O-C 3.34Å; I191-V194 WeakPolarHBondContact O-CA 3.41Å; I191-V194 PolarHBondContact O-N 2.92Å; I191-L195 HydrophobicContact CD1-CD2 4.5Å; I191-L195 HydrophobicContact CG1-CD1 4.01Å; I191-L195 HydrophobicContact CG1-CD2 3.85Å; I191-L195 HydrophobicContact CG1-CG 3.76Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.43Å; I191-L195 PolarHBondContact O-N 3.46Å; I191-L206 HydrophobicContact CD1-CD2 3.62Å |
| 192 | I | 57.7 | Low | 61.1 | Low | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | -177.5 | -67.2 | 172.6 | 0 | 0 | 0 | 111.1 | L189 V190 V194 L195 N196 E263 L264 L267 | L189-I192 HydrophobicContact CB-CD1 4.27Å; L189-I192 HydrophobicContact CD1-CD1 3.91Å; L189-I192 HydrophobicContact CD2-CD1 3.42Å; L189-I192 VanDerWaalsContact CD2-CD1 3.42Å; L189-I192 HydrophobicContact CD2-CG1 3.94Å; L189-I192 HydrophobicContact CG-CD1 4.06Å; L189-I192 PolarHBondContact O-N 2.97Å; V190-I192 VanDerWaalsContact C-N 3.33Å; V190-I192 PolarHBondContact O-N 2.69Å; I192-V194 PolarHBondContact O-N 3.4Å; I192-L195 PolarHBondContact O-N 2.72Å; I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.12Å; I192-E263 VanDerWaalsContact CG2-C 3.46Å; I192-E263 HydrophobicContact CG2-CB 3.88Å; I192-E263 WeakPolarHBondContact CG2-O 3.46Å; I192-L264 HydrophobicContact CD1-CD2 3.58Å; I192-L264 HydrophobicContact CD1-CG 4.09Å; I192-L264 HydrophobicContact CG1-CD2 4.48Å; I192-L267 HydrophobicContact CG1-CD1 4.45Å; I192-L267 HydrophobicContact CG2-CD1 4.39Å |
| 193 | R | 55.2 | Low | 60.8 | Low | 133 Ų | 133 | 45 Ų | 45 | 50% | 0.502 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -27.2 | 176.5 | -65.6 | -176.3 | 173.3 | 170.7 | 0.8 | 113.4 | V190 I191 N196 E263 | V190-R193 WeakPolarHBondContact O-CB 3.38Å; V190-R193 PolarHBondContact O-N 2.82Å; I191-R193 VanDerWaalsContact C-N 3.32Å; I191-R193 PolarHBondContact O-N 3.43Å; R193-N196 VanDerWaalsContact O-CB 3.22Å; R193-N196 WeakPolarHBondContact O-CB 3.44Å; R193-E263 IonicContact CZ-OE1 3.59Å; R193-E263 IonicContact NE-OE1 2.93Å; R193-E263 PolarHBondContact NE-OE1 2.87Å; R193-E263 IonicContact NE-OE2 3.92Å; R193-E263 IonicContact NH2-OE1 2.78Å; R193-E263 PolarHBondContact NH2-OE1 2.67Å; R193-E263 IonicContact NH2-OE2 2.74Å |
| 194 | V | 57.6 | Low | 60.7 | Low | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -94.4 | -30 | -174.8 | 170.5 | 0 | 0 | 0 | 0 | 112 | L166 P167 T168 I170 V190 I191 I192 N196 | L166-V194 HydrophobicContact CB-CG1 3.74Å; P167-V194 WeakPolarHBondContact O-CG1 3.46Å; T168-V194 HydrophobicContact CG2-CG2 4.46Å; I170-V194 HydrophobicContact CG2-CG1 3.28Å; V190-V194 HydrophobicContact CG1-CG2 4.3Å; V190-V194 WeakPolarHBondContact O-CG2 3.22Å; V190-V194 PolarHBondContact O-N 2.93Å; I191-V194 CarbonylContact O-C 3.34Å; I191-V194 WeakPolarHBondContact O-CA 3.41Å; I191-V194 PolarHBondContact O-N 2.92Å; I192-V194 PolarHBondContact O-N 3.4Å; V194-N196 PolarHBondContact O-N 2.75Å |
| 195 | L | 59.1 | Low | 60.7 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.1 | -12.9 | 173.4 | -59.9 | -154.3 | 0 | 0 | 0 | 113.4 | L166 L179 I191 I192 F197 R201 L204 L267 | L166-L195 HydrophobicContact CD1-CD2 3.76Å; L179-L195 HydrophobicContact CD2-CD1 4.04Å; L179-L195 HydrophobicContact CD2-CD2 3.45Å; L179-L195 VanDerWaalsContact CD2-CD2 3.45Å; L179-L195 HydrophobicContact CD2-CG 4.42Å; I191-L195 HydrophobicContact CD1-CD2 4.5Å; I191-L195 HydrophobicContact CG1-CD1 4.01Å; I191-L195 HydrophobicContact CG1-CD2 3.85Å; I191-L195 HydrophobicContact CG1-CG 3.76Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.43Å; I191-L195 PolarHBondContact O-N 3.46Å; I192-L195 PolarHBondContact O-N 2.72Å; L195-F197 PolarHBondContact O-N 2.93Å; L195-R201 PolarHBondContact O-NE 3.08Å; L195-L204 HydrophobicContact CD1-CD1 3.63Å; L195-L204 HydrophobicContact CD1-CD2 3.69Å; L195-L204 HydrophobicContact CD1-CG 4.3Å; L195-L267 HydrophobicContact CB-CD2 4.17Å |
| 196 | N | 53.3 | Low | 60.7 | Low | 46 Ų | 46 | 43.9 Ų | 43.9 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 14.3 | -159 | -155.7 | 12.9 | 0 | 0 | 0 | 118.3 | I192 R193 V194 L266 | I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.12Å; R193-N196 VanDerWaalsContact O-CB 3.22Å; R193-N196 WeakPolarHBondContact O-CB 3.44Å; V194-N196 PolarHBondContact O-N 2.75Å; N196-L266 WeakPolarHBondContact OD1-CB 3.04Å; N196-L266 WeakPolarHBondContact OD1-CD1 3.36Å |
| 197 | F | 50.1 | Low | 61.2 | Low | 145 Ų | 145 | 47.7 Ų | 47.7 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | -1.1 | -168.8 | -78.6 | -79.7 | 0 | 0 | 0 | 115.1 | L195 P199 | L195-F197 PolarHBondContact O-N 2.93Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å |
| 198 | S | 46 | Very low | 61.9 | Low | 14 Ų | 14 | 43.8 Ų | 43.8 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | trans | -101.4 | 111.2 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L173 S200 | L173-S198 VanDerWaalsContact O-CB 3.25Å; L173-S198 WeakPolarHBondContact O-CB 3.43Å; L173-S198 PolarHBondContact O-OG 3.19Å; S198-S200 PolarHBondContact O-N 2.97Å; S198-S200 VanDerWaalsContact O-N 3.13Å; S198-S200 PolarHBondContact OG-OG 3.17Å | ||
| 199 | P | 47.5 | Very low | 62.4 | Low | 74 Ų | 74 | 40.4 Ų | 40.4 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 22.8 | -175.9 | 36.4 | -37.4 | 0 | 0 | 0 | 113.3 | F197 K269 | F197-P199 WeakPolarHBondContact O-CD 3.2Å; P199-K269 WeakPolarHBondContact O-CD 3.32Å; P199-K269 WeakPolarHBondContact O-CE 3.42Å; P199-K269 PolarHBondContact O-NZ 2.61Å |
| 200 | S | 51.1 | Low | 62.7 | Low | 19 Ų | 19 | 42.4 Ų | 42.4 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -0.6 | -174.8 | 60.6 | 0 | 0 | 0 | 0 | 114.8 | K174 L175 L176 K177 S198 H202 | K174-S200 WeakPolarHBondContact O-CB 3.45Å; K174-S200 PolarHBondContact O-OG 2.87Å; L175-S200 WeakPolarHBondContact CA-OG 3.5Å; L176-S200 PolarHBondContact N-OG 3.37Å; L176-S200 VanDerWaalsContact N-OG 3.14Å; L176-S200 CarbonylContact O-C 3.46Å; L176-S200 PolarHBondContact O-OG 3.35Å; K177-S200 WeakPolarHBondContact CA-O 3.43Å; S198-S200 PolarHBondContact O-N 2.97Å; S198-S200 VanDerWaalsContact O-N 3.13Å; S198-S200 PolarHBondContact OG-OG 3.17Å; S200-H202 PolarHBondContact O-CE1 2.94Å; S200-H202 PolarHBondContact O-N 3Å; S200-H202 VanDerWaalsContact O-N 3.12Å; S200-H202 PolarHBondContact O-ND1 2.95Å |
| 201 | R | 60.6 | Low | 62.8 | Low | 9 Ų | 9 | 42.2 Ų | 42.2 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | trans | -66.5 | 111.8 | -174.8 | -65.5 | 179.4 | -179.2 | -76.3 | -7.8 | 111.3 | L176 L195 K269 L270 | L176-R201 WeakPolarHBondContact O-CA 3.48Å; L176-R201 PolarHBondContact O-N 2.87Å; L195-R201 PolarHBondContact O-NE 3.08Å; R201-K269 CarbonylContact O-C 3.6Å; R201-L270 WeakPolarHBondContact O-CA 3.22Å | ||
| 202 | H | 67.5 | Low | 62.2 | Low | 77 Ų | 77 | 44.5 Ų | 44.5 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | trans | -92.9 | -46.2 | 174.8 | -69.7 | 64.8 | 0 | 0 | 0 | 110.6 | K177 S200 Q271 S272 | K177-H202 WeakPolarHBondContact O-CA 3.25Å; K177-H202 PolarHBondContact O-N 3.45Å; S200-H202 PolarHBondContact O-CE1 2.94Å; S200-H202 PolarHBondContact O-N 3Å; S200-H202 VanDerWaalsContact O-N 3.12Å; S200-H202 PolarHBondContact O-ND1 2.95Å; H202-Q271 PolarHBondContact CD2-NE2 3.47Å; H202-Q271 PolarHBondContact CD2-OE1 2.95Å; H202-Q271 CarbonylContact O-C 3.56Å; H202-Q271 WeakPolarHBondContact O-CA 3.46Å; H202-Q271 WeakPolarHBondContact O-CB 3.5Å; H202-Q271 PolarHBondContact O-N 2.89Å; H202-S272 PolarHBondContact O-N 3.24Å | ||
| 203 | A | 74.6 | Confident | 61.9 | Low | 28 Ų | 28 | 44.7 Ų | 44.7 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K177 R178 L179 S272 | K177-A203 PolarHBondContact O-N 3.05Å; R178-A203 HydrophobicContact CG-CB 4.38Å; L179-A203 PolarHBondContact N-O 2.59Å; A203-S272 WeakPolarHBondContact CA-O 3.35Å |
| 204 | L | 81.6 | Confident | 61.4 | Low | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.6 | 174.1 | 176.9 | 62.1 | 0 | 0 | 0 | 110.1 | L179 L195 L206 L270 S272 L273 D274 | L179-L204 HydrophobicContact CB-CD1 4.17Å; L179-L204 HydrophobicContact CD2-CD1 4.08Å; L179-L204 HydrophobicContact CG-CD1 4.22Å; L179-L204 WeakPolarHBondContact O-CA 3.41Å; L195-L204 HydrophobicContact CD1-CD1 3.63Å; L195-L204 HydrophobicContact CD1-CD2 3.69Å; L195-L204 HydrophobicContact CD1-CG 4.3Å; L204-L206 HydrophobicContact CD1-CD2 4.02Å; L204-L206 HydrophobicContact CD1-CG 4.42Å; L204-L206 HydrophobicContact CD2-CD1 4.19Å; L204-L206 HydrophobicContact CD2-CD2 4.42Å; L204-L206 HydrophobicContact CD2-CG 4.27Å; L204-L206 HydrophobicContact CG-CD1 4.49Å; L204-L206 HydrophobicContact CG-CD2 4.19Å; L204-L206 HydrophobicContact CG-CG 4.05Å; L204-L270 HydrophobicContact CB-CD1 3.79Å; L204-L270 HydrophobicContact CB-CD2 4.33Å; L204-S272 PolarHBondContact N-O 3.16Å; L204-L273 HydrophobicContact CD2-CD1 4.36Å; L204-D274 PolarHBondContact O-N 3.42Å |
| 205 | S | 79.6 | Confident | 61.1 | Low | 19 Ų | 19 | 43.2 Ų | 43.2 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.1 | 169.9 | 162.7 | 0 | 0 | 0 | 0 | 111.3 | L179 D180 V181 | L179-S205 PolarHBondContact O-N 2.91Å; D180-S205 WeakPolarHBondContact OD1-CB 3.25Å; D180-S205 PolarHBondContact OD1-OG 3.12Å; V181-S205 PolarHBondContact N-O 3.26Å; V181-S205 VanDerWaalsContact N-O 3.13Å |
| 206 | L | 79.4 | Confident | 60.2 | Low | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | trans | -126.8 | 27 | 176 | -56.9 | 178.9 | 0 | 0 | 0 | 110.2 | V181 I191 L204 L209 L273 D274 N278 | V181-L206 HydrophobicContact CG2-CD2 3.83Å; I191-L206 HydrophobicContact CD1-CD2 3.62Å; L204-L206 HydrophobicContact CD1-CD2 4.02Å; L204-L206 HydrophobicContact CD1-CG 4.42Å; L204-L206 HydrophobicContact CD2-CD1 4.19Å; L204-L206 HydrophobicContact CD2-CD2 4.42Å; L204-L206 HydrophobicContact CD2-CG 4.27Å; L204-L206 HydrophobicContact CG-CD1 4.49Å; L204-L206 HydrophobicContact CG-CD2 4.19Å; L204-L206 HydrophobicContact CG-CG 4.05Å; L206-L209 HydrophobicContact CB-CD1 4.19Å; L206-L209 WeakPolarHBondContact O-CG 3.41Å; L206-L273 HydrophobicContact CD1-CD1 4.47Å; L206-D274 PolarHBondContact N-O 3.19Å; L206-N278 PolarHBondContact O-ND2 3.39Å | ||
| 207 | R | 79.7 | Confident | 59.2 | Low | 83 Ų | 83 | 53.9 Ų | 53.9 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 145.4 | -174 | 177.9 | 174.9 | -69.2 | -118 | 4.6 | 112.8 | G182 S183 L209 D274 A276 E277 | G182-R207 CarbonylContact C-O 3.49Å; G182-R207 WeakPolarHBondContact CA-O 3.24Å; S183-R207 PolarHBondContact N-O 2.82Å; R207-L209 PolarHBondContact O-N 2.91Å; R207-D274 IonicContact CZ-OD2 3.76Å; R207-D274 IonicContact NE-OD1 2.63Å; R207-D274 IonicContact NE-OD2 3.12Å; R207-D274 PolarHBondContact NE-OD2 2.98Å; R207-D274 IonicContact NH2-OD1 2.68Å; R207-D274 IonicContact NH2-OD2 2.66Å; R207-D274 PolarHBondContact NH2-OD2 3.29Å; R207-A276 CarbonylContact C-O 3.56Å; R207-A276 WeakPolarHBondContact CA-O 3.36Å; R207-A276 HydrophobicContact CG-CB 4.41Å; R207-E277 HydrophobicContact CG-CB 4.3Å; R207-E277 IonicContact CZ-OE1 3.03Å; R207-E277 IonicContact NE-OE1 2.75Å; R207-E277 IonicContact NH1-OE1 3.45Å; R207-E277 PolarHBondContact NH1-OE1 3.24Å |
| 208 | S | 73.6 | Confident | 58.1 | Low | 37 Ų | 37 | 50.1 Ų | 50.1 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.5 | 164.3 | -141.6 | 0 | 0 | 0 | 0 | 116.5 | S183 R210 A276 E277 | S183-S208 WeakPolarHBondContact CA-O 3.18Å; S208-R210 PolarHBondContact O-N 2.99Å; S208-A276 PolarHBondContact N-O 3.5Å; S208-E277 WeakPolarHBondContact CB-OE2 3.39Å; S208-E277 PolarHBondContact OG-OE2 2.76Å; S208-E277 VanDerWaalsContact OG-OE2 3.13Å |
| 209 | L | 66.8 | Low | 57.5 | Low | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | trans | -67.3 | 125.5 | -176.1 | -62.4 | 175.8 | 0 | 0 | 0 | 111.4 | V181 N184 F186 L206 R207 K211 V213 N278 | V181-L209 WeakPolarHBondContact O-CD2 3.4Å; N184-L209 HydrophobicContact CB-CD2 4.04Å; F186-L209 HydrophobicContact CD2-CD1 4.38Å; F186-L209 HydrophobicContact CD2-CD2 3.88Å; L206-L209 HydrophobicContact CB-CD1 4.19Å; L206-L209 WeakPolarHBondContact O-CG 3.41Å; R207-L209 PolarHBondContact O-N 2.91Å; L209-K211 PolarHBondContact O-N 2.97Å; L209-V213 HydrophobicContact CB-CG2 4.16Å; L209-V213 HydrophobicContact CD1-CG2 3.51Å; L209-V213 HydrophobicContact CG-CG2 4.48Å; L209-N278 WeakPolarHBondContact CB-OD1 3.48Å; L209-N278 PolarHBondContact N-OD1 3.26Å | ||
| 210 | R | 60.6 | Low | 56.8 | Low | 89 Ų | 89 | 59.8 Ų | 59.8 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -58 | -38.7 | -168.5 | -58.7 | -177.6 | -170.1 | -140.4 | 1.7 | 111.5 | E160 N161 S183 N184 E185 S208 | E160-R210 PolarHBondContact O-NH2 2.89Å; N161-R210 PolarHBondContact O-NE 2.91Å; N161-R210 PolarHBondContact O-NH2 3.23Å; N161-R210 VanDerWaalsContact O-NH2 3.15Å; S183-R210 PolarHBondContact O-NE 2.71Å; S183-R210 PolarHBondContact O-NH2 3.31Å; N184-R210 WeakPolarHBondContact O-CB 3.32Å; N184-R210 WeakPolarHBondContact O-CG 3.05Å; N184-R210 PolarHBondContact O-N 3.37Å; E185-R210 HydrophobicContact CG-CB 4.48Å; S208-R210 PolarHBondContact O-N 2.99Å |
| 211 | K | 56.5 | Low | 55.8 | Low | 59 Ų | 59 | 63.2 Ų | 63.2 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -97.6 | 139.1 | 173.2 | -63.8 | -178.6 | -171.2 | 160.2 | 0 | 109.5 | E185 E187 L209 V213 | E185-K211 HydrophobicContact CB-CD 4.46Å; E185-K211 WeakPolarHBondContact OE2-CE 3.43Å; E185-K211 IonicContact OE2-NZ 3.52Å; E185-K211 PolarHBondContact OE2-NZ 3.33Å; E187-K211 HydrophobicContact CG-CD 3.41Å; E187-K211 VanDerWaalsContact CG-CD 3.41Å; E187-K211 IonicContact OE1-NZ 2.96Å; E187-K211 PolarHBondContact OE1-NZ 2.9Å; L209-K211 PolarHBondContact O-N 2.97Å; K211-V213 PolarHBondContact O-N 2.95Å |
| 212 | S | 47.4 | Very low | 54.4 | Low | 56 Ų | 56 | 68.4 Ų | 68.4 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | trans | -63.8 | 104.7 | -173.6 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | N214 K279 | S212-N214 VanDerWaalsContact C-N 3.26Å; S212-N214 PolarHBondContact O-N 3.1Å; S212-K279 VanDerWaalsContact OG-CB 3.29Å; S212-K279 WeakPolarHBondContact OG-CB 3.43Å | ||
| 213 | V | 51.9 | Low | 52.5 | Low | 11 Ų | 11 | 69.9 Ų | 69.9 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | trans | -68.9 | 89.9 | 167.7 | 172 | 0 | 0 | 0 | 0 | 108.3 | L189 L209 K211 W215 L280 | L189-V213 HydrophobicContact CD2-CG1 4.36Å; L209-V213 HydrophobicContact CB-CG2 4.16Å; L209-V213 HydrophobicContact CD1-CG2 3.51Å; L209-V213 HydrophobicContact CG-CG2 4.48Å; K211-V213 PolarHBondContact O-N 2.95Å; V213-W215 VanDerWaalsContact CG1-CD1 3.41Å; V213-W215 PolarHBondContact O-N 2.93Å; V213-L280 HydrophobicContact CG1-CD2 4.5Å; V213-L280 VanDerWaalsContact O-CD2 3.29Å; V213-L280 WeakPolarHBondContact O-CD2 3.45Å | ||
| 214 | N | 44.9 | Very low | 50.4 | Low | 93 Ų | 93 | 76.3 Ų | 76.3 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | trans | -85.5 | 93.7 | -177.4 | -165.2 | 2.6 | 0 | 0 | 0 | 109.9 | S212 K216 | S212-N214 VanDerWaalsContact C-N 3.26Å; S212-N214 PolarHBondContact O-N 3.1Å; N214-K216 PolarHBondContact O-N 3.15Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 VanDerWaalsContact OD1-CB 3.24Å; N214-K216 WeakPolarHBondContact OD1-CB 3.3Å; N214-K216 WeakPolarHBondContact OD1-CG 3.34Å; N214-K216 PolarHBondContact OD1-N 3.12Å | ||
| 215 | W | 51.4 | Low | 47.6 | Very low | 20 Ų | 20 | 80.2 Ų | 80.2 | 8% | 0.076 | 44% | 0.444 | C | S | . | . | trans | -66.7 | -0.4 | 174.2 | -78.9 | 13.6 | 0 | 0 | 0 | 114.1 | L189 V213 L273 L280 S282 L283 P284 | L189-W215 HydrophobicContact CD1-CG 4.32Å; L189-W215 HydrophobicContact CD2-CZ2 4.43Å; V213-W215 VanDerWaalsContact CG1-CD1 3.41Å; V213-W215 PolarHBondContact O-N 2.93Å; W215-L273 HydrophobicContact CH2-CD2 4.41Å; W215-L280 HydrophobicContact CB-CD2 3.82Å; W215-L280 HydrophobicContact CD2-CD2 3.63Å; W215-L280 HydrophobicContact CE3-CD2 4.13Å; W215-L280 HydrophobicContact CG-CD2 3.43Å; W215-L280 VanDerWaalsContact CG-CD2 3.43Å; W215-S282 WeakPolarHBondContact CB-O 3.26Å; W215-L283 HydrophobicContact CE3-CB 4.3Å; W215-L283 HydrophobicContact CE3-CD2 3.68Å; W215-L283 HydrophobicContact CZ3-CB 4.48Å; W215-L283 HydrophobicContact CZ3-CD2 3.8Å; W215-P284 HydrophobicContact CE3-CG 4.19Å | ||
| 216 | K | 39.4 | Very low | 45.2 | Very low | 98 Ų | 98 | 84.9 Ų | 84.9 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -63 | 150.6 | 167.8 | -71.3 | 175.9 | 163.8 | 168.1 | 0 | 110.7 | N214 C218 V281 S282 | N214-K216 PolarHBondContact O-N 3.15Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 VanDerWaalsContact OD1-CB 3.24Å; N214-K216 WeakPolarHBondContact OD1-CB 3.3Å; N214-K216 WeakPolarHBondContact OD1-CG 3.34Å; N214-K216 PolarHBondContact OD1-N 3.12Å; K216-C218 PolarHBondContact O-N 3.19Å; K216-C218 VanDerWaalsContact O-N 3.1Å; K216-V281 HydrophobicContact CD-CB 4.49Å; K216-S282 VanDerWaalsContact CG-OG 3.31Å; K216-S282 WeakPolarHBondContact CG-OG 3.28Å |
| 217 | H | 32.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 90.4 Ų | 90.4 | 80% | 0.796 | 51% | 0.505 | S | S | * | . | trans | -53.1 | 117.5 | 174 | -76.3 | 44.4 | 0 | 0 | 0 | 111 | K219 | H217-K219 VanDerWaalsContact C-N 3.29Å; H217-K219 PolarHBondContact O-N 3.42Å | ||
| 218 | C | 28 | Very low | 40.2 | Very low | 67 Ų | 67 | 97.7 Ų | 97.7 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | trans | -70.3 | 81.7 | 176 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | K216 S220 C221 | K216-C218 PolarHBondContact O-N 3.19Å; K216-C218 VanDerWaalsContact O-N 3.1Å; C218-S220 PolarHBondContact O-N 3.44Å; C218-S220 VanDerWaalsContact O-N 3.16Å; C218-C221 HydrophobicContact CB-CB 3.84Å; C218-C221 WeakPolarHBondContact CB-SG 3.43Å; C218-C221 PolarHBondContact O-N 3.02Å; C218-C221 WeakPolarHBondContact SG-CB 3.29Å; C218-C221 PolarHBondContact SG-N 2.78Å; C218-C221 CovalentContact SG-SG 2.04Å; C218-C221 PolarHBondContact SG-SG 2.88Å | ||
| 219 | K | 32.5 | Very low | 38.1 | Very low | 193 Ų | 193 | 100.7 Ų | 100.7 | 84% | 0.839 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -7.8 | 175.4 | -72 | -173.3 | 176.4 | -179.2 | 0 | 113.8 | H217 | H217-K219 VanDerWaalsContact C-N 3.29Å; H217-K219 PolarHBondContact O-N 3.42Å |
| 220 | S | 32.4 | Very low | 36.2 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 69% | 0.685 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -4.3 | 177.4 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | C218 T222 | C218-S220 PolarHBondContact O-N 3.44Å; C218-S220 VanDerWaalsContact O-N 3.16Å; S220-T222 PolarHBondContact O-N 2.92Å |
| 221 | C | 30.6 | Very low | 34.8 | Very low | 90 Ų | 90 | 106.8 Ų | 106.8 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 28 | -177.4 | -73.3 | 0 | 0 | 0 | 0 | 113.7 | C218 | C218-C221 HydrophobicContact CB-CB 3.84Å; C218-C221 WeakPolarHBondContact CB-SG 3.43Å; C218-C221 PolarHBondContact O-N 3.02Å; C218-C221 WeakPolarHBondContact SG-CB 3.29Å; C218-C221 PolarHBondContact SG-N 2.78Å; C218-C221 CovalentContact SG-SG 2.04Å; C218-C221 PolarHBondContact SG-SG 2.88Å |
| 222 | T | 30.1 | Very low | 33.7 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -3.8 | -170 | -25.1 | 0 | 0 | 0 | 0 | 113.5 | S220 | S220-T222 PolarHBondContact O-N 2.92Š|
| 223 | S | 28.7 | Very low | 32.9 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -114.9 | 8.1 | -162.5 | -52.6 | 0 | 0 | 0 | 0 | 116 | ||
| 224 | I | 30.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | trans | -129 | 89.6 | 175.8 | -54.4 | -178.7 | 0 | 0 | 0 | 109.1 | ||||
| 225 | A | 23.8 | Very low | 31.3 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -145.9 | 50.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 226 | T | 27.4 | Very low | 30.3 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -135.2 | 140.9 | 175.7 | 44 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 227 | T | 29.8 | Very low | 30 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 69.4 | 135.9 | -171.7 | 75.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 228 | W | 26.2 | Very low | 30.2 | Very low | 237 Ų | 237 | 141.9 Ų | 141.9 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | cis | -148.7 | 144.2 | -5.4 | -115.7 | 10.3 | 0 | 0 | 0 | 112.7 | ||||
| 229 | S | 27.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 28.6 | 112.5 | 148.8 | -53.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 230 | P | 27.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -88.3 | 167.2 | 160 | 36.7 | -34.2 | 0 | 0 | 0 | 113 | ||||
| 231 | S | 30.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -156.8 | 122.5 | 173.6 | -98.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 232 | R | 33.2 | Very low | 30.8 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 146.5 | 159.5 | -50.2 | 175.5 | -162.6 | -123.6 | 3.8 | 115 | ||||
| 233 | R | 31.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | cis | -157.9 | 149 | -3.5 | -131 | -176.1 | -67.1 | -162.5 | 3.6 | 110.8 | ||||
| 234 | Y | 31.1 | Very low | 31.2 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | trans | 63 | 154 | 170 | -59.6 | -62 | 0 | 0 | 0 | 117.8 | ||||
| 235 | G | 32 | Very low | 31.7 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -138.4 | -175.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 236 | R | 31 | Very low | 32.2 | Very low | 228 Ų | 228 | 145.1 Ų | 145.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -107.1 | 140.6 | -166.2 | -69.1 | 173 | 167.9 | 174.2 | -2.6 | 115.4 | ||||
| 237 | A | 32.5 | Very low | 32.3 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -175.9 | 112.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 238 | R | 37.2 | Very low | 32.1 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | 82.2 | 102.8 | 62.3 | -86.7 | -165.1 | 166.3 | -170 | -2.8 | 115.4 | |||||
| 239 | G | 35.3 | Very low | 32.1 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 155 | 90.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 240 | R | 35.5 | Very low | 32.1 | Very low | 239 Ų | 239 | 148.8 Ų | 148.8 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | 63.3 | 125.7 | 71.2 | -82.2 | -168.1 | 174.8 | -176.5 | -2.7 | 114 | |||||
| 241 | T | 33.4 | Very low | 32 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | cis | -167.7 | 170.1 | -7.2 | -11.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 242 | L | 31.5 | Very low | 31.9 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 83 | 126.3 | 144.7 | -72.6 | 160 | 0 | 0 | 0 | 123.6 | ||||
| 243 | V | 39.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 154 Ų | 154 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 83.3 | 140.5 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 244 | A | 28.2 | Very low | 31.2 | Very low | 85 Ų | 85 | 150.6 Ų | 150.6 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -156 | -160.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 245 | P | 39 | Very low | 31.1 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | -102.6 | -178.9 | -82.6 | 42.8 | -32.7 | 0 | 0 | 0 | 111.8 | |||||
| 246 | P | 35.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -154.3 | -178.5 | 88.3 | 42.8 | -23.9 | 0 | 0 | 0 | 116.4 | |||||
| 247 | M | 28.3 | Very low | 30.4 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | trans | 62.7 | 107.8 | 160.9 | -62.3 | -165.8 | -173.1 | 0 | 0 | 121.8 | ||||
| 248 | S | 26.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 76.6 | 132.9 | 144 | -152.7 | 0 | 0 | 0 | 0 | 120.5 | ||
| 249 | R | 26.3 | Very low | 29.6 | Very low | 218 Ų | 218 | 144.8 Ų | 144.8 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 67.3 | 145.6 | -179.8 | -55.3 | 173.8 | 175 | 165 | -2.4 | 115.7 | ||
| 250 | N | 27.4 | Very low | 29.6 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | 43.7 | 67.2 | 159.9 | -67.3 | -22.4 | 0 | 0 | 0 | 119.3 | K252 | N250-K252 PolarHBondContact O-N 3Š| ||
| 251 | F | 26.3 | Very low | 29.8 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -81 | 103.7 | 166.6 | -100.7 | -90.2 | 0 | 0 | 0 | 113.3 | ||||
| 252 | K | 27.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | trans | -80.2 | 155.3 | 167.3 | -71.1 | 174.8 | 176.6 | 171.1 | 0 | 110.7 | N250 | N250-K252 PolarHBondContact O-N 3Š| ||
| 253 | K | 26.6 | Very low | 31.5 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 64.9 | 106.4 | 155.9 | -69.6 | 176.8 | 176.3 | -175.1 | 0 | 119 | ||||
| 254 | S | 24.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | 78 | 167.7 | 122.2 | 82.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 255 | P | 27.9 | Very low | 33.3 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | cis | -126.7 | -175.4 | -15.5 | 20.9 | 3.6 | 0 | 0 | 0 | 112.2 | ||||
| 256 | F | 24.4 | Very low | 34.2 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | trans | 64.9 | 144.6 | 174.1 | -55.5 | -98.8 | 0 | 0 | 0 | 114.6 | ||||
| 257 | F | 24.1 | Very low | 35.6 | Very low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 62% | 0.615 | S | S | * | * | cis | -146.5 | 94.4 | -10.7 | -154.1 | -117.6 | 0 | 0 | 0 | 109 | P259 | F257-P259 WeakPolarHBondContact O-CD 3.36Š| ||
| 258 | F | 22.9 | Very low | 37.5 | Very low | 193 Ų | 193 | 121.8 Ų | 121.8 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 121.9 | 169 | -76.6 | -82.3 | 0 | 0 | 0 | 109.1 | K260 | F258-K260 PolarHBondContact O-N 3.19Š|
| 259 | P | 30.9 | Very low | 39.6 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 53% | 0.526 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 130.9 | 158.5 | 26.5 | -32 | 0 | 0 | 0 | 107.2 | F257 | F257-P259 WeakPolarHBondContact O-CD 3.36Š|
| 260 | K | 35 | Very low | 42.1 | Very low | 145 Ų | 145 | 112.5 Ų | 112.5 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 161.9 | -141.3 | -59.2 | 173.9 | -174.8 | 173 | 0 | 113.3 | F258 Q262 | F258-K260 PolarHBondContact O-N 3.19Å; K260-Q262 HydrophobicContact CB-CB 4.03Å; K260-Q262 HydrophobicContact CB-CG 3.98Å; K260-Q262 PolarHBondContact O-N 2.93Å |
| 261 | K | 39.1 | Very low | 44.8 | Very low | 175 Ų | 175 | 108.3 Ų | 108.3 | 76% | 0.761 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 52.3 | 161.2 | -64.6 | -172.5 | 168.5 | -160 | 0 | 112.3 | ||
| 262 | Q | 47.8 | Very low | 47.7 | Very low | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145 | -7.2 | -170.8 | -66.5 | -169.4 | -53.4 | 0 | 0 | 112.9 | K260 L264 T265 L266 | K260-Q262 HydrophobicContact CB-CB 4.03Å; K260-Q262 HydrophobicContact CB-CG 3.98Å; K260-Q262 PolarHBondContact O-N 2.93Å; Q262-L264 PolarHBondContact O-N 3.18Å; Q262-T265 VanDerWaalsContact CA-OG1 3.26Å; Q262-T265 WeakPolarHBondContact CA-OG1 3.26Å; Q262-T265 PolarHBondContact O-N 3.39Å; Q262-T265 VanDerWaalsContact O-N 3.08Å; Q262-T265 PolarHBondContact O-OG1 3.22Å; Q262-T265 VanDerWaalsContact O-OG1 3.14Å; Q262-L266 VanDerWaalsContact O-CD1 3.32Å; Q262-L266 WeakPolarHBondContact O-CD1 3.43Å; Q262-L266 VanDerWaalsContact O-CG 3.31Å; Q262-L266 WeakPolarHBondContact O-CG 3.29Å |
| 263 | E | 52.2 | Low | 50.6 | Low | 51 Ų | 51 | 93.2 Ų | 93.2 | 24% | 0.238 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -61.1 | -43.2 | -176.8 | -61.7 | -167.6 | 173.3 | 0 | 0 | 111.6 | I192 R193 | I192-E263 VanDerWaalsContact CG2-C 3.46Å; I192-E263 HydrophobicContact CG2-CB 3.88Å; I192-E263 WeakPolarHBondContact CG2-O 3.46Å; R193-E263 IonicContact CZ-OE1 3.59Å; R193-E263 IonicContact NE-OE1 2.93Å; R193-E263 PolarHBondContact NE-OE1 2.87Å; R193-E263 IonicContact NE-OE2 3.92Å; R193-E263 IonicContact NH2-OE1 2.78Å; R193-E263 PolarHBondContact NH2-OE1 2.67Å; R193-E263 IonicContact NH2-OE2 2.74Å |
| 264 | L | 55.4 | Low | 53.4 | Low | 15 Ų | 15 | 85.5 Ų | 85.5 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -73.1 | -32.7 | 170.5 | -77.8 | 173.2 | 0 | 0 | 0 | 113.4 | I192 Q262 L266 L267 P284 D286 L290 | I192-L264 HydrophobicContact CD1-CD2 3.58Å; I192-L264 HydrophobicContact CD1-CG 4.09Å; I192-L264 HydrophobicContact CG1-CD2 4.48Å; Q262-L264 PolarHBondContact O-N 3.18Å; L264-L266 PolarHBondContact O-N 2.93Å; L264-L267 HydrophobicContact CD2-CD1 4.5Å; L264-L267 PolarHBondContact O-N 2.91Å; L264-P284 HydrophobicContact CD1-CG 3.51Å; L264-D286 HydrophobicContact CB-CB 4.27Å; L264-D286 HydrophobicContact CD1-CB 4.29Å; L264-L290 HydrophobicContact CD2-CD1 4.35Å; L264-L290 WeakPolarHBondContact O-CD2 3.28Å |
| 265 | T | 51.8 | Low | 56.3 | Low | 35 Ų | 35 | 80.5 Ų | 80.5 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -71 | 10.1 | -175.1 | 81.6 | 0 | 0 | 0 | 0 | 114.1 | Q262 V268 E289 | Q262-T265 VanDerWaalsContact CA-OG1 3.26Å; Q262-T265 WeakPolarHBondContact CA-OG1 3.26Å; Q262-T265 PolarHBondContact O-N 3.39Å; Q262-T265 VanDerWaalsContact O-N 3.08Å; Q262-T265 PolarHBondContact O-OG1 3.22Å; Q262-T265 VanDerWaalsContact O-OG1 3.14Å; T265-V268 WeakPolarHBondContact O-CG2 3.4Å; T265-E289 HydrophobicContact CG2-CB 3.88Å; T265-E289 HydrophobicContact CG2-CG 4.05Å |
| 266 | L | 57 | Low | 59 | Low | 98 Ų | 98 | 76.1 Ų | 76.1 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -108.8 | -15.8 | 176.4 | -64.1 | 161.1 | 0 | 0 | 0 | 111.6 | N196 Q262 L264 V268 | N196-L266 WeakPolarHBondContact OD1-CB 3.04Å; N196-L266 WeakPolarHBondContact OD1-CD1 3.36Å; Q262-L266 VanDerWaalsContact O-CD1 3.32Å; Q262-L266 WeakPolarHBondContact O-CD1 3.43Å; Q262-L266 VanDerWaalsContact O-CG 3.31Å; Q262-L266 WeakPolarHBondContact O-CG 3.29Å; L264-L266 PolarHBondContact O-N 2.93Å; L266-V268 PolarHBondContact O-N 2.8Å |
| 267 | L | 65 | Low | 61.9 | Low | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | trans | -85.4 | 29.4 | 171.5 | -62.6 | 176.1 | 0 | 0 | 0 | 112.4 | I192 L195 L264 K269 L270 L290 | I192-L267 HydrophobicContact CG1-CD1 4.45Å; I192-L267 HydrophobicContact CG2-CD1 4.39Å; L195-L267 HydrophobicContact CB-CD2 4.17Å; L264-L267 HydrophobicContact CD2-CD1 4.5Å; L264-L267 PolarHBondContact O-N 2.91Å; L267-K269 PolarHBondContact O-N 2.85Å; L267-L270 HydrophobicContact CB-CB 4.46Å; L267-L270 VanDerWaalsContact O-CB 3.28Å; L267-L270 WeakPolarHBondContact O-CB 3.3Å; L267-L270 PolarHBondContact O-N 3.45Å; L267-L290 HydrophobicContact CB-CD2 3.71Å | ||
| 268 | V | 68.4 | Low | 64.4 | Low | 65 Ų | 65 | 62.5 Ų | 62.5 | 39% | 0.394 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24 | -171 | -168.1 | 0 | 0 | 0 | 0 | 113.9 | T265 L266 S292 | T265-V268 WeakPolarHBondContact O-CG2 3.4Å; L266-V268 PolarHBondContact O-N 2.8Å; V268-S292 WeakPolarHBondContact O-CB 3.48Å; V268-S292 PolarHBondContact O-N 2.85Å; V268-S292 PolarHBondContact O-OG 3.39Å |
| 269 | K | 72 | Confident | 66.9 | Low | 124 Ų | 124 | 58.7 Ų | 58.7 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.5 | 179.4 | -76.5 | -173.8 | 166.1 | -167.8 | 0 | 115.2 | P199 R201 L267 Q271 | P199-K269 WeakPolarHBondContact O-CD 3.32Å; P199-K269 WeakPolarHBondContact O-CE 3.42Å; P199-K269 PolarHBondContact O-NZ 2.61Å; R201-K269 CarbonylContact O-C 3.6Å; L267-K269 PolarHBondContact O-N 2.85Å; K269-Q271 PolarHBondContact O-N 2.86Å |
| 270 | L | 77.3 | Confident | 69.2 | Low | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | trans | -60 | 131.1 | -179.6 | -170.3 | 67.5 | 0 | 0 | 0 | 110.2 | R201 L204 L267 S272 L273 S292 L293 | R201-L270 WeakPolarHBondContact O-CA 3.22Å; L204-L270 HydrophobicContact CB-CD1 3.79Å; L204-L270 HydrophobicContact CB-CD2 4.33Å; L267-L270 HydrophobicContact CB-CB 4.46Å; L267-L270 VanDerWaalsContact O-CB 3.28Å; L267-L270 WeakPolarHBondContact O-CB 3.3Å; L267-L270 PolarHBondContact O-N 3.45Å; L270-S272 WeakPolarHBondContact CD1-O 3.41Å; L270-L273 HydrophobicContact CD2-CB 4.24Å; L270-L273 HydrophobicContact CD2-CD1 4.43Å; L270-S292 CarbonylContact O-C 3.6Å; L270-S292 WeakPolarHBondContact O-CB 3.36Å; L270-L293 HydrophobicContact CB-CD2 4.28Å; L270-L293 HydrophobicContact CD2-CD2 4.1Å; L270-L293 HydrophobicContact CG-CD2 3.88Å; L270-L293 WeakPolarHBondContact O-CA 3.33Å; L270-L293 PolarHBondContact O-N 2.83Å; L270-L293 VanDerWaalsContact O-N 3.08Å | ||
| 271 | Q | 84.8 | Confident | 71.2 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | trans | -108.3 | -33.4 | -177.5 | -61.7 | 179.8 | 2.9 | 0 | 0 | 112.7 | H202 K269 S292 N294 D295 | H202-Q271 PolarHBondContact CD2-NE2 3.47Å; H202-Q271 PolarHBondContact CD2-OE1 2.95Å; H202-Q271 CarbonylContact O-C 3.56Å; H202-Q271 WeakPolarHBondContact O-CA 3.46Å; H202-Q271 WeakPolarHBondContact O-CB 3.5Å; H202-Q271 PolarHBondContact O-N 2.89Å; K269-Q271 PolarHBondContact O-N 2.86Å; Q271-S292 WeakPolarHBondContact CA-O 3.44Å; Q271-N294 PolarHBondContact O-N 3.21Å; Q271-D295 PolarHBondContact O-N 2.76Å | ||
| 272 | S | 87 | Confident | 73.2 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.4 | 178.2 | -175 | 0 | 0 | 0 | 0 | 111.1 | H202 A203 L204 L270 D295 | H202-S272 PolarHBondContact O-N 3.24Å; A203-S272 WeakPolarHBondContact CA-O 3.35Å; L204-S272 PolarHBondContact N-O 3.16Å; L270-S272 WeakPolarHBondContact CD1-O 3.41Å; S272-D295 WeakPolarHBondContact CA-O 3.46Å |
| 273 | L | 87.7 | Confident | 74.7 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 112.1 | 176.3 | 175 | 62.7 | 0 | 0 | 0 | 110.1 | L204 L206 W215 L270 L293 D295 I296 T297 | L204-L273 HydrophobicContact CD2-CD1 4.36Å; L206-L273 HydrophobicContact CD1-CD1 4.47Å; W215-L273 HydrophobicContact CH2-CD2 4.41Å; L270-L273 HydrophobicContact CD2-CB 4.24Å; L270-L273 HydrophobicContact CD2-CD1 4.43Å; L273-L293 HydrophobicContact CB-CD2 3.97Å; L273-D295 PolarHBondContact N-O 2.84Å; L273-I296 WeakPolarHBondContact O-CA 3.35Å; L273-T297 PolarHBondContact O-N 3Å |
| 274 | D | 85.5 | Confident | 75.8 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.7 | 165.4 | -171.7 | -1.3 | 0 | 0 | 0 | 109.8 | L204 L206 R207 A276 | L204-D274 PolarHBondContact O-N 3.42Å; L206-D274 PolarHBondContact N-O 3.19Å; R207-D274 IonicContact CZ-OD2 3.76Å; R207-D274 IonicContact NE-OD1 2.63Å; R207-D274 IonicContact NE-OD2 3.12Å; R207-D274 PolarHBondContact NE-OD2 2.98Å; R207-D274 IonicContact NH2-OD1 2.68Å; R207-D274 IonicContact NH2-OD2 2.66Å; R207-D274 PolarHBondContact NH2-OD2 3.29Å; D274-A276 WeakPolarHBondContact OD1-CB 3.5Å; D274-A276 PolarHBondContact OD1-N 2.81Å |
| 275 | A | 85.9 | Confident | 77 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | trans | -132.3 | 31.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N278 L280 T297 L298 N301 | A275-N278 VanDerWaalsContact C-ND2 3.3Å; A275-N278 PolarHBondContact O-ND2 2.87Å; A275-L280 HydrophobicContact CB-CD1 4.07Å; A275-T297 PolarHBondContact N-O 2.77Å; A275-L298 HydrophobicContact CB-CD2 4.28Å; A275-N301 PolarHBondContact O-ND2 2.78Å | ||
| 276 | A | 85.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 164.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R207 S208 D274 N278 T297 S299 | R207-A276 CarbonylContact C-O 3.56Å; R207-A276 WeakPolarHBondContact CA-O 3.36Å; R207-A276 HydrophobicContact CG-CB 4.41Å; S208-A276 PolarHBondContact N-O 3.5Å; D274-A276 WeakPolarHBondContact OD1-CB 3.5Å; D274-A276 PolarHBondContact OD1-N 2.81Å; A276-N278 PolarHBondContact O-N 3.46Å; A276-N278 PolarHBondContact O-ND2 2.83Å; A276-N278 VanDerWaalsContact O-ND2 3.1Å; A276-T297 HydrophobicContact CB-CG2 4.01Å; A276-T297 PolarHBondContact N-O 2.93Å; A276-S299 CarbonylContact C-O 3.57Å; A276-S299 WeakPolarHBondContact CA-O 3.45Å; A276-S299 WeakPolarHBondContact CB-O 3.44Å |
| 277 | E | 84.4 | Confident | 79.2 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 15.4 | 174 | -64.1 | 165.1 | -138.7 | 0 | 0 | 114.8 | R207 S208 S299 Q300 | R207-E277 HydrophobicContact CG-CB 4.3Å; R207-E277 IonicContact CZ-OE1 3.03Å; R207-E277 IonicContact NE-OE1 2.75Å; R207-E277 IonicContact NH1-OE1 3.45Å; R207-E277 PolarHBondContact NH1-OE1 3.24Å; S208-E277 WeakPolarHBondContact CB-OE2 3.39Å; S208-E277 PolarHBondContact OG-OE2 2.76Å; S208-E277 VanDerWaalsContact OG-OE2 3.13Å; E277-S299 PolarHBondContact N-O 3.09Å; E277-Q300 CarbonylContact C-O 3.49Å; E277-Q300 WeakPolarHBondContact CA-O 3.43Å; E277-Q300 HydrophobicContact CG-CB 4.04Å; E277-Q300 PolarHBondContact N-O 2.8Å |
| 278 | N | 76.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -90.5 | -179.4 | 179.5 | -80 | -67.5 | 0 | 0 | 0 | 111.7 | L206 L209 A275 A276 L280 Q300 N301 | L206-N278 PolarHBondContact O-ND2 3.39Å; L209-N278 WeakPolarHBondContact CB-OD1 3.48Å; L209-N278 PolarHBondContact N-OD1 3.26Å; A275-N278 VanDerWaalsContact C-ND2 3.3Å; A275-N278 PolarHBondContact O-ND2 2.87Å; A276-N278 PolarHBondContact O-N 3.46Å; A276-N278 PolarHBondContact O-ND2 2.83Å; A276-N278 VanDerWaalsContact O-ND2 3.1Å; N278-L280 HydrophobicContact CB-CD1 4.32Å; N278-L280 HydrophobicContact CB-CG 4.07Å; N278-Q300 PolarHBondContact N-O 2.84Å; N278-N301 WeakPolarHBondContact CA-OD1 3.37Å; N278-N301 WeakPolarHBondContact CB-OD1 3.09Å; N278-N301 PolarHBondContact O-OD1 3.39Å; N278-N301 VanDerWaalsContact O-OD1 3.04Å |
| 279 | K | 76 | Confident | 80.7 | Confident | 113 Ų | 113 | 36.6 Ų | 36.6 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | trans | -106.9 | 31.3 | 176.7 | -67.6 | 161.2 | -173.3 | 163.4 | 0 | 111.1 | S212 V281 | S212-K279 VanDerWaalsContact OG-CB 3.29Å; S212-K279 WeakPolarHBondContact OG-CB 3.43Å; K279-V281 PolarHBondContact O-N 2.69Å | ||
| 280 | L | 79.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | trans | -66.5 | 125 | 177.5 | -61.6 | 164.7 | 0 | 0 | 0 | 109.5 | V213 W215 A275 N278 L283 L298 N301 C302 L303 | V213-L280 HydrophobicContact CG1-CD2 4.5Å; V213-L280 VanDerWaalsContact O-CD2 3.29Å; V213-L280 WeakPolarHBondContact O-CD2 3.45Å; W215-L280 HydrophobicContact CB-CD2 3.82Å; W215-L280 HydrophobicContact CD2-CD2 3.63Å; W215-L280 HydrophobicContact CE3-CD2 4.13Å; W215-L280 HydrophobicContact CG-CD2 3.43Å; W215-L280 VanDerWaalsContact CG-CD2 3.43Å; A275-L280 HydrophobicContact CB-CD1 4.07Å; N278-L280 HydrophobicContact CB-CD1 4.32Å; N278-L280 HydrophobicContact CB-CG 4.07Å; L280-L283 HydrophobicContact CD1-CD2 4.27Å; L280-L298 HydrophobicContact CD1-CD2 4.21Å; L280-N301 HydrophobicContact CB-CB 4.42Å; L280-N301 WeakPolarHBondContact CB-OD1 3.26Å; L280-N301 WeakPolarHBondContact CG-OD1 3.5Å; L280-N301 PolarHBondContact N-OD1 3.48Å; L280-C302 CarbonylContact O-C 3.08Å; L280-C302 VanDerWaalsContact O-CA 3.24Å; L280-C302 WeakPolarHBondContact O-CA 3.31Å; L280-C302 WeakPolarHBondContact O-CB 3.49Å; L280-C302 PolarHBondContact O-N 2.96Å; L280-L303 HydrophobicContact CB-CD2 3.85Å; L280-L303 PolarHBondContact O-N 2.94Å | ||
| 281 | V | 76.9 | Confident | 81.7 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | trans | -103 | -18.1 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | K216 K279 C302 E304 | K216-V281 HydrophobicContact CD-CB 4.49Å; K279-V281 PolarHBondContact O-N 2.69Å; V281-C302 WeakPolarHBondContact CA-O 3.48Å; V281-C302 HydrophobicContact CG2-CB 3.92Å; V281-E304 HydrophobicContact CG1-CG 4.43Å; V281-E304 PolarHBondContact O-N 2.62Å | ||
| 282 | S | 79.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 35.3 Ų | 35.3 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | trans | -158.5 | 145.4 | 179.1 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | W215 K216 | W215-S282 WeakPolarHBondContact CB-O 3.26Å; K216-S282 VanDerWaalsContact CG-OG 3.31Å; K216-S282 WeakPolarHBondContact CG-OG 3.28Å | ||
| 283 | L | 80.5 | Confident | 81.9 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | trans | -94.6 | 148.5 | 168.6 | -44.9 | 177.3 | 0 | 0 | 0 | 110.7 | W215 L280 L298 L303 L306 P307 | W215-L283 HydrophobicContact CE3-CB 4.3Å; W215-L283 HydrophobicContact CE3-CD2 3.68Å; W215-L283 HydrophobicContact CZ3-CB 4.48Å; W215-L283 HydrophobicContact CZ3-CD2 3.8Å; L280-L283 HydrophobicContact CD1-CD2 4.27Å; L283-L298 HydrophobicContact CD1-CD1 3.67Å; L283-L298 HydrophobicContact CD1-CD2 4.46Å; L283-L298 HydrophobicContact CD2-CD2 3.97Å; L283-L303 HydrophobicContact CD1-CD1 4.4Å; L283-L303 HydrophobicContact CD2-CD1 4.1Å; L283-L303 HydrophobicContact CD2-CD2 3.72Å; L283-L303 HydrophobicContact CG-CD1 4.23Å; L283-L303 HydrophobicContact CG-CD2 3.98Å; L283-L306 HydrophobicContact CD1-CD2 3.92Å; L283-P307 HydrophobicContact CB-CG 3.97Å | ||
| 284 | P | 75.3 | Confident | 82 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 21% | 0.208 | 18% | 0.176 | C | C | . | . | trans | -75.7 | 147.2 | 174.2 | 32.8 | -34.7 | 0 | 0 | 0 | 110.9 | W215 L264 D286 V287 | W215-P284 HydrophobicContact CE3-CG 4.19Å; L264-P284 HydrophobicContact CD1-CG 3.51Å; P284-D286 PolarHBondContact O-N 2.79Å; P284-D286 VanDerWaalsContact O-N 3.12Å; P284-V287 WeakPolarHBondContact O-CB 3.44Å; P284-V287 VanDerWaalsContact O-CG1 3.26Å; P284-V287 WeakPolarHBondContact O-CG1 3.41Å; P284-V287 PolarHBondContact O-N 2.74Å; P284-V287 VanDerWaalsContact O-N 3.07Å | ||
| 285 | D | 79.9 | Confident | 82.4 | Confident | 103 Ų | 103 | 36.2 Ų | 36.2 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -57.7 | -27.8 | 176.2 | -72.1 | -53 | 0 | 0 | 0 | 113.1 | V287 G288 P307 S309 | D285-V287 PolarHBondContact O-N 2.88Å; D285-G288 PolarHBondContact O-N 3.35Å; D285-P307 WeakPolarHBondContact OD1-CB 3.03Å; D285-S309 WeakPolarHBondContact CA-OG 3.16Å; D285-S309 WeakPolarHBondContact O-CB 3.48Å; D285-S309 PolarHBondContact O-OG 2.85Å |
| 286 | D | 74.5 | Confident | 82.8 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -64.1 | -11.3 | 178.8 | -59.5 | -35.3 | 0 | 0 | 0 | 113.2 | L264 P284 G288 E289 | L264-D286 HydrophobicContact CB-CB 4.27Å; L264-D286 HydrophobicContact CD1-CB 4.29Å; P284-D286 PolarHBondContact O-N 2.79Å; P284-D286 VanDerWaalsContact O-N 3.12Å; D286-G288 PolarHBondContact O-N 3.35Å; D286-E289 PolarHBondContact O-N 3.23Å; D286-E289 VanDerWaalsContact O-N 3.13Å |
| 287 | V | 80.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -58.6 | -30.5 | 172.6 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | P284 D285 E289 L290 P307 | P284-V287 WeakPolarHBondContact O-CB 3.44Å; P284-V287 VanDerWaalsContact O-CG1 3.26Å; P284-V287 WeakPolarHBondContact O-CG1 3.41Å; P284-V287 PolarHBondContact O-N 2.74Å; P284-V287 VanDerWaalsContact O-N 3.07Å; D285-V287 PolarHBondContact O-N 2.88Å; V287-E289 PolarHBondContact O-N 2.82Å; V287-L290 HydrophobicContact CG2-CD1 3.96Å; V287-L290 WeakPolarHBondContact O-CB 3.28Å; V287-L290 WeakPolarHBondContact O-CG 3.37Å; V287-L290 PolarHBondContact O-N 3.17Å; V287-P307 HydrophobicContact CG1-CG 3.72Å |
| 288 | G | 83.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -70.2 | -8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | D285 D286 S309 R312 | D285-G288 PolarHBondContact O-N 3.35Å; D286-G288 PolarHBondContact O-N 3.35Å; G288-S309 WeakPolarHBondContact CA-O 3.19Å; G288-R312 WeakPolarHBondContact O-CB 3.3Å |
| 289 | E | 82.2 | Confident | 84.3 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -89.2 | -2.7 | 173.5 | -60.6 | -51.9 | 141.3 | 0 | 0 | 113.4 | T265 D286 V287 R291 R312 | T265-E289 HydrophobicContact CG2-CB 3.88Å; T265-E289 HydrophobicContact CG2-CG 4.05Å; D286-E289 PolarHBondContact O-N 3.23Å; D286-E289 VanDerWaalsContact O-N 3.13Å; V287-E289 PolarHBondContact O-N 2.82Å; E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 IonicContact OE1-NH2 2.55Å; E289-R291 IonicContact OE2-CZ 3.41Å; E289-R291 VanDerWaalsContact OE2-CZ 3.24Å; E289-R291 IonicContact OE2-NE 2.89Å; E289-R291 PolarHBondContact OE2-NE 2.97Å; E289-R291 IonicContact OE2-NH2 2.62Å; E289-R291 PolarHBondContact OE2-NH2 2.81Å; E289-R312 WeakPolarHBondContact OE1-CD 3.43Å; E289-R312 IonicContact OE1-CZ 3.94Å; E289-R312 IonicContact OE1-NE 3.73Å; E289-R312 IonicContact OE1-NH1 2.76Å; E289-R312 PolarHBondContact OE1-NH1 2.68Å |
| 290 | L | 83.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -78.3 | 52.9 | 172.4 | -56.9 | 176.8 | 0 | 0 | 0 | 111 | L264 L267 V287 S292 L293 L313 | L264-L290 HydrophobicContact CD2-CD1 4.35Å; L264-L290 WeakPolarHBondContact O-CD2 3.28Å; L267-L290 HydrophobicContact CB-CD2 3.71Å; V287-L290 HydrophobicContact CG2-CD1 3.96Å; V287-L290 WeakPolarHBondContact O-CB 3.28Å; V287-L290 WeakPolarHBondContact O-CG 3.37Å; V287-L290 PolarHBondContact O-N 3.17Å; L290-S292 PolarHBondContact O-N 2.9Å; L290-L293 HydrophobicContact CB-CD1 3.54Å; L290-L293 HydrophobicContact CB-CG 3.85Å; L290-L293 HydrophobicContact CD1-CD1 3.65Å; L290-L293 HydrophobicContact CG-CD1 4.25Å; L290-L293 WeakPolarHBondContact O-CB 3.41Å; L290-L293 PolarHBondContact O-N 3.05Å; L290-L313 HydrophobicContact CB-CD2 4.39Å; L290-L313 WeakPolarHBondContact O-CD2 3.47Å | ||
| 291 | R | 85.8 | Confident | 85.4 | Confident | 146 Ų | 146 | 33.3 Ų | 33.3 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -2.3 | -165 | -56.2 | 179.7 | -165.9 | -173.2 | 2.9 | 115.8 | E289 | E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 IonicContact OE1-NH2 2.55Å; E289-R291 IonicContact OE2-CZ 3.41Å; E289-R291 VanDerWaalsContact OE2-CZ 3.24Å; E289-R291 IonicContact OE2-NE 2.89Å; E289-R291 PolarHBondContact OE2-NE 2.97Å; E289-R291 IonicContact OE2-NH2 2.62Å; E289-R291 PolarHBondContact OE2-NH2 2.81Å |
| 292 | S | 86.5 | Confident | 86 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -3.4 | 170.5 | -55.5 | 0 | 0 | 0 | 0 | 114 | V268 L270 Q271 L290 N294 | V268-S292 WeakPolarHBondContact O-CB 3.48Å; V268-S292 PolarHBondContact O-N 2.85Å; V268-S292 PolarHBondContact O-OG 3.39Å; L270-S292 CarbonylContact O-C 3.6Å; L270-S292 WeakPolarHBondContact O-CB 3.36Å; Q271-S292 WeakPolarHBondContact CA-O 3.44Å; L290-S292 PolarHBondContact O-N 2.9Å; S292-N294 PolarHBondContact O-N 3.14Å; S292-N294 PolarHBondContact O-OD1 2.87Å; S292-N294 VanDerWaalsContact O-OD1 3.09Å |
| 293 | L | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -65 | 123.5 | 178.8 | -78.4 | 177.6 | 0 | 0 | 0 | 111 | L270 L273 L290 I296 L313 K315 L316 | L270-L293 HydrophobicContact CB-CD2 4.28Å; L270-L293 HydrophobicContact CD2-CD2 4.1Å; L270-L293 HydrophobicContact CG-CD2 3.88Å; L270-L293 WeakPolarHBondContact O-CA 3.33Å; L270-L293 PolarHBondContact O-N 2.83Å; L270-L293 VanDerWaalsContact O-N 3.08Å; L273-L293 HydrophobicContact CB-CD2 3.97Å; L290-L293 HydrophobicContact CB-CD1 3.54Å; L290-L293 HydrophobicContact CB-CG 3.85Å; L290-L293 HydrophobicContact CD1-CD1 3.65Å; L290-L293 HydrophobicContact CG-CD1 4.25Å; L290-L293 WeakPolarHBondContact O-CB 3.41Å; L290-L293 PolarHBondContact O-N 3.05Å; L293-I296 HydrophobicContact CB-CD1 4.45Å; L293-I296 HydrophobicContact CB-CG1 4.48Å; L293-I296 HydrophobicContact CD1-CD1 3.74Å; L293-I296 HydrophobicContact CD1-CG1 3.99Å; L293-L313 HydrophobicContact CB-CD1 4.38Å; L293-L313 HydrophobicContact CD1-CD1 4.28Å; L293-K315 CarbonylContact O-C 3.51Å; L293-L316 WeakPolarHBondContact O-CA 3.06Å; L293-L316 PolarHBondContact O-N 2.95Å | ||
| 294 | N | 91.2 | Very high | 87 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | trans | -100.5 | -45.7 | 171.9 | -61.9 | -0.2 | 0 | 0 | 0 | 109.2 | Q271 S292 K315 L316 T317 I318 | Q271-N294 PolarHBondContact O-N 3.21Å; S292-N294 PolarHBondContact O-N 3.14Å; S292-N294 PolarHBondContact O-OD1 2.87Å; S292-N294 VanDerWaalsContact O-OD1 3.09Å; N294-K315 VanDerWaalsContact OD1-CB 3.28Å; N294-K315 WeakPolarHBondContact OD1-CB 3.35Å; N294-L316 CarbonylContact O-C 3.56Å; N294-L316 WeakPolarHBondContact O-CA 3.49Å; N294-L316 WeakPolarHBondContact O-CD1 3.25Å; N294-T317 WeakPolarHBondContact CB-OG1 3.38Å; N294-T317 PolarHBondContact O-N 3.47Å; N294-T317 PolarHBondContact O-OG1 2.75Å; N294-I318 PolarHBondContact O-N 2.85Å | ||
| 295 | D | 92.4 | Very high | 87.7 | Confident | 47 Ų | 47 | 37.1 Ų | 37.1 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | -171.2 | -48.4 | -45.4 | 0 | 0 | 0 | 111.8 | Q271 S272 L273 T317 I318 | Q271-D295 PolarHBondContact O-N 2.76Å; S272-D295 WeakPolarHBondContact CA-O 3.46Å; L273-D295 PolarHBondContact N-O 2.84Å; D295-T317 PolarHBondContact OD1-OG1 3.02Å; D295-I318 WeakPolarHBondContact CA-O 3.24Å; D295-I318 HydrophobicContact CB-CB 4.24Å; D295-I318 WeakPolarHBondContact OD1-CB 3.43Å; D295-I318 WeakPolarHBondContact OD1-CG1 3.42Å |
| 296 | I | 93.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.1 | 177.8 | -67 | 178.5 | 0 | 0 | 0 | 110 | L273 L293 L298 I310 L313 L316 I318 L319 K320 | L273-I296 WeakPolarHBondContact O-CA 3.35Å; L293-I296 HydrophobicContact CB-CD1 4.45Å; L293-I296 HydrophobicContact CB-CG1 4.48Å; L293-I296 HydrophobicContact CD1-CD1 3.74Å; L293-I296 HydrophobicContact CD1-CG1 3.99Å; I296-L298 HydrophobicContact CG2-CD1 3.51Å; I296-L298 HydrophobicContact CG2-CD2 4.49Å; I296-L298 HydrophobicContact CG2-CG 3.6Å; I296-I310 HydrophobicContact CD1-CD1 4.29Å; I296-L313 HydrophobicContact CD1-CD1 3.55Å; I296-L316 HydrophobicContact CB-CD1 4.13Å; I296-L316 HydrophobicContact CD1-CD1 3.52Å; I296-L316 HydrophobicContact CG1-CD1 3.6Å; I296-I318 PolarHBondContact N-O 2.77Å; I296-L319 HydrophobicContact CB-CD1 3.95Å; I296-L319 HydrophobicContact CG2-CD1 3.81Å; I296-K320 PolarHBondContact O-N 2.72Å |
| 297 | T | 93.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.9 | 172 | -50.2 | 0 | 0 | 0 | 0 | 109.6 | L273 A275 A276 S299 K320 | L273-T297 PolarHBondContact O-N 3Å; A275-T297 PolarHBondContact N-O 2.77Å; A276-T297 HydrophobicContact CB-CG2 4.01Å; A276-T297 PolarHBondContact N-O 2.93Å; T297-S299 WeakPolarHBondContact CG2-OG 3.44Å; T297-K320 HydrophobicContact CG2-CB 4.36Å |
| 298 | L | 93.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | trans | -126.7 | 8.8 | -178.9 | -68.6 | 165.3 | 0 | 0 | 0 | 111.9 | A275 L280 L283 I296 N301 L303 L306 K320 V321 N324 | A275-L298 HydrophobicContact CB-CD2 4.28Å; L280-L298 HydrophobicContact CD1-CD2 4.21Å; L283-L298 HydrophobicContact CD1-CD1 3.67Å; L283-L298 HydrophobicContact CD1-CD2 4.46Å; L283-L298 HydrophobicContact CD2-CD2 3.97Å; I296-L298 HydrophobicContact CG2-CD1 3.51Å; I296-L298 HydrophobicContact CG2-CD2 4.49Å; I296-L298 HydrophobicContact CG2-CG 3.6Å; L298-N301 WeakPolarHBondContact O-CB 3.38Å; L298-N301 PolarHBondContact O-ND2 2.72Å; L298-L303 HydrophobicContact CB-CD1 4.11Å; L298-L303 HydrophobicContact CD1-CD1 4.14Å; L298-L303 HydrophobicContact CD2-CD1 4.42Å; L298-L303 HydrophobicContact CG-CD1 4.47Å; L298-L306 HydrophobicContact CD1-CD2 4.43Å; L298-K320 PolarHBondContact N-O 2.86Å; L298-V321 HydrophobicContact CB-CG1 4.02Å; L298-V321 HydrophobicContact CB-CG2 4.37Å; L298-V321 HydrophobicContact CD1-CG2 4.36Å; L298-N324 PolarHBondContact O-ND2 2.8Å | ||
| 299 | S | 92.9 | Very high | 90 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | trans | -42.3 | 144.8 | 175.7 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | A276 E277 T297 N301 K320 D322 | A276-S299 CarbonylContact C-O 3.57Å; A276-S299 WeakPolarHBondContact CA-O 3.45Å; A276-S299 WeakPolarHBondContact CB-O 3.44Å; E277-S299 PolarHBondContact N-O 3.09Å; T297-S299 WeakPolarHBondContact CG2-OG 3.44Å; S299-N301 PolarHBondContact O-ND2 3.08Å; S299-K320 PolarHBondContact N-O 3.5Å; S299-D322 CarbonylContact C-O 3.38Å; S299-D322 VanDerWaalsContact CA-O 3.31Å; S299-D322 WeakPolarHBondContact CA-O 3.42Å; S299-D322 WeakPolarHBondContact CB-OD1 3.39Å; S299-D322 WeakPolarHBondContact CB-OD2 3.48Å; S299-D322 PolarHBondContact OG-OD1 3.26Å | ||
| 300 | Q | 91.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 35 Ų | 35 | 39% | 0.388 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 55.9 | 55.4 | 175.2 | -60.1 | -173.6 | 105.7 | 0 | 0 | 113.2 | E277 N278 D322 K323 | E277-Q300 CarbonylContact C-O 3.49Å; E277-Q300 WeakPolarHBondContact CA-O 3.43Å; E277-Q300 HydrophobicContact CG-CB 4.04Å; E277-Q300 PolarHBondContact N-O 2.8Å; N278-Q300 PolarHBondContact N-O 2.84Å; Q300-D322 PolarHBondContact N-O 2.87Å; Q300-K323 VanDerWaalsContact CA-O 3.26Å; Q300-K323 WeakPolarHBondContact CA-O 3.19Å; Q300-K323 HydrophobicContact CB-CB 4.39Å; Q300-K323 HydrophobicContact CG-CB 3.74Å; Q300-K323 HydrophobicContact CG-CD 3.6Å; Q300-K323 HydrophobicContact CG-CG 4.3Å |
| 301 | N | 86.7 | Confident | 90.9 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -125.8 | -171.5 | 175.7 | -90.3 | -83.8 | 0 | 0 | 0 | 110.9 | A275 N278 L280 L298 S299 L303 K323 N324 | A275-N301 PolarHBondContact O-ND2 2.78Å; N278-N301 WeakPolarHBondContact CA-OD1 3.37Å; N278-N301 WeakPolarHBondContact CB-OD1 3.09Å; N278-N301 PolarHBondContact O-OD1 3.39Å; N278-N301 VanDerWaalsContact O-OD1 3.04Å; L280-N301 HydrophobicContact CB-CB 4.42Å; L280-N301 WeakPolarHBondContact CB-OD1 3.26Å; L280-N301 WeakPolarHBondContact CG-OD1 3.5Å; L280-N301 PolarHBondContact N-OD1 3.48Å; L298-N301 WeakPolarHBondContact O-CB 3.38Å; L298-N301 PolarHBondContact O-ND2 2.72Å; S299-N301 PolarHBondContact O-ND2 3.08Å; N301-L303 HydrophobicContact CB-CG 4.2Å; N301-K323 PolarHBondContact N-O 3.3Å; N301-N324 WeakPolarHBondContact CA-OD1 3.32Å; N301-N324 WeakPolarHBondContact CB-OD1 3.25Å; N301-N324 PolarHBondContact N-ND2 2.76Å; N301-N324 PolarHBondContact O-OD1 3.22Å |
| 302 | C | 89.1 | Confident | 91.2 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | trans | -112.2 | 24.6 | 177.8 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | L280 V281 E304 | L280-C302 CarbonylContact O-C 3.08Å; L280-C302 VanDerWaalsContact O-CA 3.24Å; L280-C302 WeakPolarHBondContact O-CA 3.31Å; L280-C302 WeakPolarHBondContact O-CB 3.49Å; L280-C302 PolarHBondContact O-N 2.96Å; V281-C302 WeakPolarHBondContact CA-O 3.48Å; V281-C302 HydrophobicContact CG2-CB 3.92Å; C302-E304 PolarHBondContact O-N 3.19Å | ||
| 303 | L | 90.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -65.8 | 120.9 | -174.4 | -59.4 | 175.1 | 0 | 0 | 0 | 111 | L280 L283 L298 N301 L306 V321 N324 R325 L326 | L280-L303 HydrophobicContact CB-CD2 3.85Å; L280-L303 PolarHBondContact O-N 2.94Å; L283-L303 HydrophobicContact CD1-CD1 4.4Å; L283-L303 HydrophobicContact CD2-CD1 4.1Å; L283-L303 HydrophobicContact CD2-CD2 3.72Å; L283-L303 HydrophobicContact CG-CD1 4.23Å; L283-L303 HydrophobicContact CG-CD2 3.98Å; L298-L303 HydrophobicContact CB-CD1 4.11Å; L298-L303 HydrophobicContact CD1-CD1 4.14Å; L298-L303 HydrophobicContact CD2-CD1 4.42Å; L298-L303 HydrophobicContact CG-CD1 4.47Å; N301-L303 HydrophobicContact CB-CG 4.2Å; L303-L306 HydrophobicContact CD1-CD2 4.09Å; L303-V321 HydrophobicContact CD1-CG1 4.04Å; L303-N324 WeakPolarHBondContact CB-OD1 3.24Å; L303-N324 VanDerWaalsContact CG-OD1 3.31Å; L303-N324 WeakPolarHBondContact CG-OD1 3.41Å; L303-N324 PolarHBondContact N-OD1 3.09Å; L303-R325 CarbonylContact O-C 3.55Å; L303-R325 VanDerWaalsContact O-CA 3.27Å; L303-R325 WeakPolarHBondContact O-CA 3.28Å; L303-R325 WeakPolarHBondContact O-CB 3.45Å; L303-R325 PolarHBondContact O-N 3.14Å; L303-L326 HydrophobicContact CB-CD2 4.14Å; L303-L326 PolarHBondContact O-N 3.31Å; L303-L326 VanDerWaalsContact O-N 3.11Å | ||
| 304 | E | 90.3 | Very high | 91.8 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -87.4 | -30.2 | 177.4 | -69.2 | 162.7 | -164.6 | 0 | 0 | 112.1 | V281 C302 R325 L326 I327 | V281-E304 HydrophobicContact CG1-CG 4.43Å; V281-E304 PolarHBondContact O-N 2.62Å; C302-E304 PolarHBondContact O-N 3.19Å; E304-R325 HydrophobicContact CG-CB 4.23Å; E304-L326 WeakPolarHBondContact O-CA 3.44Å; E304-I327 PolarHBondContact O-N 3.48Å; E304-I327 VanDerWaalsContact O-N 3.11Å |
| 305 | V | 90.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -150.4 | 143.5 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 110 | ||
| 306 | L | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -90.2 | 139.1 | 167.4 | -65.8 | 178.9 | 0 | 0 | 0 | 111.3 | L283 L298 L303 V321 L326 L329 T330 | L283-L306 HydrophobicContact CD1-CD2 3.92Å; L298-L306 HydrophobicContact CD1-CD2 4.43Å; L303-L306 HydrophobicContact CD1-CD2 4.09Å; L306-V321 HydrophobicContact CD1-CG2 4.43Å; L306-V321 HydrophobicContact CD2-CG1 4.38Å; L306-L326 HydrophobicContact CD1-CD1 4.38Å; L306-L326 HydrophobicContact CD2-CD2 4.43Å; L306-L326 HydrophobicContact CG-CD1 4.34Å; L306-L326 HydrophobicContact CG-CD2 3.99Å; L306-L329 HydrophobicContact CD1-CD1 4.22Å; L306-T330 HydrophobicContact CB-CG2 4.1Å | ||
| 307 | P | 91 | Very high | 92.1 | Very high | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.071 | 20% | 0.2 | C | C | . | . | trans | -67.6 | 144.2 | -177.7 | 29.1 | -35.7 | 0 | 0 | 0 | 111.6 | L283 D285 V287 S309 I310 | L283-P307 HydrophobicContact CB-CG 3.97Å; D285-P307 WeakPolarHBondContact OD1-CB 3.03Å; V287-P307 HydrophobicContact CG1-CG 3.72Å; P307-S309 PolarHBondContact O-N 3.27Å; P307-I310 WeakPolarHBondContact O-CB 3.13Å; P307-I310 VanDerWaalsContact O-CG2 3.31Å; P307-I310 WeakPolarHBondContact O-CG2 3.29Å; P307-I310 PolarHBondContact O-N 3.49Å | ||
| 308 | H | 90.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 41.8 Ų | 41.8 | 59% | 0.593 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -61.1 | -19.4 | 179.6 | -73.3 | 87.2 | 0 | 0 | 0 | 113.3 | I310 T330 A332 | H308-I310 PolarHBondContact O-N 3.25Å; H308-T330 PolarHBondContact CD2-OG1 2.75Å; H308-T330 PolarHBondContact NE2-OG1 2.96Å; H308-A332 WeakPolarHBondContact O-CB 3.48Å |
| 309 | S | 90.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -69 | -14.3 | 174.7 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | D285 G288 P307 G311 R312 | D285-S309 WeakPolarHBondContact CA-OG 3.16Å; D285-S309 WeakPolarHBondContact O-CB 3.48Å; D285-S309 PolarHBondContact O-OG 2.85Å; G288-S309 WeakPolarHBondContact CA-O 3.19Å; P307-S309 PolarHBondContact O-N 3.27Å; S309-G311 PolarHBondContact O-N 3.49Å; S309-G311 VanDerWaalsContact O-N 3.14Å; S309-R312 VanDerWaalsContact O-CB 3.25Å; S309-R312 WeakPolarHBondContact O-CB 3.22Å; S309-R312 WeakPolarHBondContact O-CG 3.47Å; S309-R312 PolarHBondContact O-N 2.61Å |
| 310 | I | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -54.3 | -34.9 | 177.4 | -160.8 | 74.4 | 0 | 0 | 0 | 111.7 | I296 P307 H308 R312 L313 T330 A332 V333 C336 | I296-I310 HydrophobicContact CD1-CD1 4.29Å; P307-I310 WeakPolarHBondContact O-CB 3.13Å; P307-I310 VanDerWaalsContact O-CG2 3.31Å; P307-I310 WeakPolarHBondContact O-CG2 3.29Å; P307-I310 PolarHBondContact O-N 3.49Å; H308-I310 PolarHBondContact O-N 3.25Å; I310-R312 PolarHBondContact O-N 3.05Å; I310-L313 HydrophobicContact CD1-CD1 3.78Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 WeakPolarHBondContact O-CG 3.28Å; I310-L313 PolarHBondContact O-N 2.97Å; I310-T330 HydrophobicContact CG2-CG2 3.7Å; I310-A332 HydrophobicContact CG2-CB 4.33Å; I310-V333 HydrophobicContact CG2-CG2 3.99Å; I310-C336 PolarHBondContact O-SG 3.32Å; I310-C336 VanDerWaalsContact O-SG 3.37Å |
| 311 | G | 92.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -66.1 | -4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S309 K314 A332 S335 | S309-G311 PolarHBondContact O-N 3.49Å; S309-G311 VanDerWaalsContact O-N 3.14Å; G311-K314 WeakPolarHBondContact O-CE 3.47Å; G311-A332 WeakPolarHBondContact CA-O 3.08Å; G311-S335 WeakPolarHBondContact O-CB 3.32Å |
| 312 | R | 93 | Very high | 93.3 | Very high | 136 Ų | 136 | 40.9 Ų | 40.9 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -82.8 | -15.6 | 169.9 | -62.3 | -178.1 | -175.9 | 168.9 | 8.1 | 112.7 | G288 E289 S309 I310 K314 | G288-R312 WeakPolarHBondContact O-CB 3.3Å; E289-R312 WeakPolarHBondContact OE1-CD 3.43Å; E289-R312 IonicContact OE1-CZ 3.94Å; E289-R312 IonicContact OE1-NE 3.73Å; E289-R312 IonicContact OE1-NH1 2.76Å; E289-R312 PolarHBondContact OE1-NH1 2.68Å; S309-R312 VanDerWaalsContact O-CB 3.25Å; S309-R312 WeakPolarHBondContact O-CB 3.22Å; S309-R312 WeakPolarHBondContact O-CG 3.47Å; S309-R312 PolarHBondContact O-N 2.61Å; I310-R312 PolarHBondContact O-N 3.05Å; R312-K314 PolarHBondContact O-N 2.87Å |
| 313 | L | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -79.3 | 70.9 | -179.5 | -56.4 | -173.2 | 0 | 0 | 0 | 110.6 | L290 L293 I296 I310 K315 L316 | L290-L313 HydrophobicContact CB-CD2 4.39Å; L290-L313 WeakPolarHBondContact O-CD2 3.47Å; L293-L313 HydrophobicContact CB-CD1 4.38Å; L293-L313 HydrophobicContact CD1-CD1 4.28Å; I296-L313 HydrophobicContact CD1-CD1 3.55Å; I310-L313 HydrophobicContact CD1-CD1 3.78Å; I310-L313 WeakPolarHBondContact O-CB 3.37Å; I310-L313 WeakPolarHBondContact O-CG 3.28Å; I310-L313 PolarHBondContact O-N 2.97Å; L313-K315 PolarHBondContact O-N 3.18Å; L313-K315 VanDerWaalsContact O-N 3.11Å; L313-L316 HydrophobicContact CB-CB 3.98Å; L313-L316 HydrophobicContact CD1-CD1 4.41Å; L313-L316 WeakPolarHBondContact O-CB 3.48Å; L313-L316 PolarHBondContact O-N 2.91Å | ||
| 314 | K | 92.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 44.3 Ų | 44.3 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.2 | -173.4 | -63.9 | -61.9 | -178.3 | 171.6 | 0 | 115.1 | G311 R312 S335 | G311-K314 WeakPolarHBondContact O-CE 3.47Å; R312-K314 PolarHBondContact O-N 2.87Å; K314-S335 WeakPolarHBondContact CD-O 3.46Å; K314-S335 PolarHBondContact NZ-O 3.09Å |
| 315 | K | 93.5 | Very high | 94 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.5 | 172.8 | -57.1 | -164.9 | -172.5 | -179.9 | 0 | 114.5 | L293 N294 L313 T317 | L293-K315 CarbonylContact O-C 3.51Å; N294-K315 VanDerWaalsContact OD1-CB 3.28Å; N294-K315 WeakPolarHBondContact OD1-CB 3.35Å; L313-K315 PolarHBondContact O-N 3.18Å; L313-K315 VanDerWaalsContact O-N 3.11Å; K315-T317 PolarHBondContact O-N 3.23Å |
| 316 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -61.9 | 112.2 | -173 | -166.3 | 75.1 | 0 | 0 | 0 | 110.5 | L293 N294 I296 L313 L319 C336 L338 L339 | L293-L316 WeakPolarHBondContact O-CA 3.06Å; L293-L316 PolarHBondContact O-N 2.95Å; N294-L316 CarbonylContact O-C 3.56Å; N294-L316 WeakPolarHBondContact O-CA 3.49Å; N294-L316 WeakPolarHBondContact O-CD1 3.25Å; I296-L316 HydrophobicContact CB-CD1 4.13Å; I296-L316 HydrophobicContact CD1-CD1 3.52Å; I296-L316 HydrophobicContact CG1-CD1 3.6Å; L313-L316 HydrophobicContact CB-CB 3.98Å; L313-L316 HydrophobicContact CD1-CD1 4.41Å; L313-L316 WeakPolarHBondContact O-CB 3.48Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-L319 HydrophobicContact CD2-CB 4.14Å; L316-L319 HydrophobicContact CD2-CD2 4.12Å; L316-L319 HydrophobicContact CD2-CG 4.49Å; L316-C336 HydrophobicContact CB-CB 4.36Å; L316-C336 HydrophobicContact CD2-CB 4.47Å; L316-L338 CarbonylContact O-C 3.6Å; L316-L338 VanDerWaalsContact O-C 3.3Å; L316-L339 HydrophobicContact CB-CD1 4.44Å; L316-L339 HydrophobicContact CD2-CD1 4Å; L316-L339 HydrophobicContact CG-CD1 3.86Å; L316-L339 WeakPolarHBondContact O-CA 3.45Å; L316-L339 PolarHBondContact O-N 3.23Å | ||
| 317 | T | 96 | Very high | 94.2 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | trans | -96.1 | -40.9 | 177.6 | 35.9 | 0 | 0 | 0 | 0 | 111.8 | N294 D295 K315 L339 S340 E341 | N294-T317 WeakPolarHBondContact CB-OG1 3.38Å; N294-T317 PolarHBondContact O-N 3.47Å; N294-T317 PolarHBondContact O-OG1 2.75Å; D295-T317 PolarHBondContact OD1-OG1 3.02Å; K315-T317 PolarHBondContact O-N 3.23Å; T317-L339 WeakPolarHBondContact O-CD1 3.34Å; T317-S340 PolarHBondContact O-N 3.15Å; T317-S340 PolarHBondContact O-OG 3.06Å; T317-S340 VanDerWaalsContact O-OG 3.09Å; T317-E341 PolarHBondContact O-N 3.04Å | ||
| 318 | I | 96.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.7 | -174.9 | -59.1 | -178.6 | 0 | 0 | 0 | 110.3 | N294 D295 I296 K320 E341 | N294-I318 PolarHBondContact O-N 2.85Å; D295-I318 WeakPolarHBondContact CA-O 3.24Å; D295-I318 HydrophobicContact CB-CB 4.24Å; D295-I318 WeakPolarHBondContact OD1-CB 3.43Å; D295-I318 WeakPolarHBondContact OD1-CG1 3.42Å; I296-I318 PolarHBondContact N-O 2.77Å; I318-K320 HydrophobicContact CG2-CD 4.24Å; I318-K320 HydrophobicContact CG2-CG 3.84Å; I318-E341 HydrophobicContact CG1-CB 4.22Å; I318-E341 HydrophobicContact CG2-CB 4.34Å |
| 319 | L | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.7 | 174.9 | -179.8 | 57.7 | 0 | 0 | 0 | 110.5 | I296 L316 V321 L339 E341 L342 I343 | I296-L319 HydrophobicContact CB-CD1 3.95Å; I296-L319 HydrophobicContact CG2-CD1 3.81Å; L316-L319 HydrophobicContact CD2-CB 4.14Å; L316-L319 HydrophobicContact CD2-CD2 4.12Å; L316-L319 HydrophobicContact CD2-CG 4.49Å; L319-V321 HydrophobicContact CD1-CG2 3.6Å; L319-V321 HydrophobicContact CG-CG2 3.79Å; L319-L339 HydrophobicContact CB-CD1 3.75Å; L319-L339 HydrophobicContact CB-CD2 4.47Å; L319-E341 PolarHBondContact N-O 2.9Å; L319-L342 HydrophobicContact CB-CD1 4.14Å; L319-L342 HydrophobicContact CD2-CD1 4.02Å; L319-L342 HydrophobicContact CG-CD1 4.07Å; L319-I343 PolarHBondContact O-N 2.87Å |
| 320 | K | 97.7 | Very high | 94.8 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.5 | 178.3 | -45.5 | -163.7 | -167.1 | -143.7 | 0 | 109.9 | I296 T297 L298 S299 I318 E341 I343 | I296-K320 PolarHBondContact O-N 2.72Å; T297-K320 HydrophobicContact CG2-CB 4.36Å; L298-K320 PolarHBondContact N-O 2.86Å; S299-K320 PolarHBondContact N-O 3.5Å; I318-K320 HydrophobicContact CG2-CD 4.24Å; I318-K320 HydrophobicContact CG2-CG 3.84Å; K320-E341 VanDerWaalsContact CE-OE1 3.3Å; K320-E341 WeakPolarHBondContact CE-OE1 3.24Å; K320-E341 WeakPolarHBondContact CE-OE2 3.12Å; K320-E341 IonicContact NZ-OE1 2.62Å; K320-E341 PolarHBondContact NZ-OE1 3.28Å; K320-E341 IonicContact NZ-OE2 2.77Å; K320-E341 PolarHBondContact NZ-OE2 2.82Å; K320-I343 HydrophobicContact CB-CB 4.28Å; K320-I343 HydrophobicContact CD-CG1 4.31Å; K320-I343 HydrophobicContact CG-CB 4.34Å; K320-I343 HydrophobicContact CG-CG1 4.14Å |
| 321 | V | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -136.1 | 33.2 | -176.9 | -155.2 | 0 | 0 | 0 | 0 | 110.3 | L298 L303 L306 L319 N324 L326 I343 L344 N347 | L298-V321 HydrophobicContact CB-CG1 4.02Å; L298-V321 HydrophobicContact CB-CG2 4.37Å; L298-V321 HydrophobicContact CD1-CG2 4.36Å; L303-V321 HydrophobicContact CD1-CG1 4.04Å; L306-V321 HydrophobicContact CD1-CG2 4.43Å; L306-V321 HydrophobicContact CD2-CG1 4.38Å; L319-V321 HydrophobicContact CD1-CG2 3.6Å; L319-V321 HydrophobicContact CG-CG2 3.79Å; V321-N324 HydrophobicContact CG1-CB 4.32Å; V321-N324 PolarHBondContact O-ND2 2.61Å; V321-L326 HydrophobicContact CB-CD1 4.31Å; V321-L326 HydrophobicContact CG1-CD1 3.91Å; V321-I343 CarbonylContact C-O 3.56Å; V321-I343 PolarHBondContact N-O 2.89Å; V321-L344 HydrophobicContact CB-CD2 4.31Å; V321-N347 PolarHBondContact O-ND2 3.08Å | ||
| 322 | D | 94.4 | Very high | 95 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | trans | -61.9 | 161.5 | 173.7 | 58 | -77.7 | 0 | 0 | 0 | 112.6 | S299 Q300 N324 I343 T345 | S299-D322 CarbonylContact C-O 3.38Å; S299-D322 VanDerWaalsContact CA-O 3.31Å; S299-D322 WeakPolarHBondContact CA-O 3.42Å; S299-D322 WeakPolarHBondContact CB-OD1 3.39Å; S299-D322 WeakPolarHBondContact CB-OD2 3.48Å; S299-D322 PolarHBondContact OG-OD1 3.26Å; Q300-D322 PolarHBondContact N-O 2.87Å; D322-N324 VanDerWaalsContact C-N 3.33Å; D322-N324 PolarHBondContact O-N 2.85Å; D322-N324 PolarHBondContact O-ND2 3.03Å; D322-I343 HydrophobicContact CB-CG2 4.18Å; D322-T345 CarbonylContact C-O 3.56Å; D322-T345 WeakPolarHBondContact CA-O 3.28Å; D322-T345 VanDerWaalsContact CB-O 3.3Å; D322-T345 WeakPolarHBondContact CB-O 3.3Å | ||
| 323 | K | 95.3 | Very high | 95.1 | Very high | 89 Ų | 89 | 41 Ų | 41 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 51 | 53 | 175 | -69 | 176 | 174.2 | 177.3 | 0 | 111.9 | Q300 N301 T345 E346 | Q300-K323 VanDerWaalsContact CA-O 3.26Å; Q300-K323 WeakPolarHBondContact CA-O 3.19Å; Q300-K323 HydrophobicContact CB-CB 4.39Å; Q300-K323 HydrophobicContact CG-CB 3.74Å; Q300-K323 HydrophobicContact CG-CD 3.6Å; Q300-K323 HydrophobicContact CG-CG 4.3Å; N301-K323 PolarHBondContact N-O 3.3Å; K323-T345 PolarHBondContact N-O 2.83Å; K323-E346 VanDerWaalsContact CA-O 3.24Å; K323-E346 WeakPolarHBondContact CA-O 3.42Å; K323-E346 WeakPolarHBondContact CE-OE2 3.45Å; K323-E346 HydrophobicContact CG-CB 3.82Å; K323-E346 HydrophobicContact CG-CG 4.45Å; K323-E346 WeakPolarHBondContact CG-OE2 3.46Å; K323-E346 PolarHBondContact N-O 2.68Å |
| 324 | N | 94.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -126.1 | -168.1 | 179.9 | -93.2 | -86.8 | 0 | 0 | 0 | 109.7 | L298 N301 L303 V321 D322 L326 E346 N347 | L298-N324 PolarHBondContact O-ND2 2.8Å; N301-N324 WeakPolarHBondContact CA-OD1 3.32Å; N301-N324 WeakPolarHBondContact CB-OD1 3.25Å; N301-N324 PolarHBondContact N-ND2 2.76Å; N301-N324 PolarHBondContact O-OD1 3.22Å; L303-N324 WeakPolarHBondContact CB-OD1 3.24Å; L303-N324 VanDerWaalsContact CG-OD1 3.31Å; L303-N324 WeakPolarHBondContact CG-OD1 3.41Å; L303-N324 PolarHBondContact N-OD1 3.09Å; V321-N324 HydrophobicContact CG1-CB 4.32Å; V321-N324 PolarHBondContact O-ND2 2.61Å; D322-N324 VanDerWaalsContact C-N 3.33Å; D322-N324 PolarHBondContact O-N 2.85Å; D322-N324 PolarHBondContact O-ND2 3.03Å; N324-L326 HydrophobicContact CB-CG 4.41Å; N324-E346 PolarHBondContact N-O 3.2Å; N324-N347 WeakPolarHBondContact CA-OD1 3.15Å; N324-N347 WeakPolarHBondContact CB-OD1 3.46Å; N324-N347 PolarHBondContact O-OD1 3.4Å |
| 325 | R | 94.5 | Very high | 95.3 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 50% | 0.498 | 20% | 0.2 | S | C | . | . | trans | -118.4 | 23.8 | -176.8 | -58.8 | -178.2 | -179.3 | -151.5 | -3.4 | 111.7 | L303 E304 I327 N347 L348 | L303-R325 CarbonylContact O-C 3.55Å; L303-R325 VanDerWaalsContact O-CA 3.27Å; L303-R325 WeakPolarHBondContact O-CA 3.28Å; L303-R325 WeakPolarHBondContact O-CB 3.45Å; L303-R325 PolarHBondContact O-N 3.14Å; E304-R325 HydrophobicContact CG-CB 4.23Å; R325-I327 WeakPolarHBondContact O-CG1 3.48Å; R325-I327 PolarHBondContact O-N 3.32Å; R325-N347 PolarHBondContact N-OD1 2.83Å; R325-L348 HydrophobicContact CB-CD1 4.33Å | ||
| 326 | L | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -61.8 | 113.4 | -171.2 | -64.9 | 177.6 | 0 | 0 | 0 | 110.4 | L303 E304 L306 V321 N324 L344 N347 L348 L349 | L303-L326 HydrophobicContact CB-CD2 4.14Å; L303-L326 PolarHBondContact O-N 3.31Å; L303-L326 VanDerWaalsContact O-N 3.11Å; E304-L326 WeakPolarHBondContact O-CA 3.44Å; L306-L326 HydrophobicContact CD1-CD1 4.38Å; L306-L326 HydrophobicContact CD2-CD2 4.43Å; L306-L326 HydrophobicContact CG-CD1 4.34Å; L306-L326 HydrophobicContact CG-CD2 3.99Å; V321-L326 HydrophobicContact CB-CD1 4.31Å; V321-L326 HydrophobicContact CG1-CD1 3.91Å; N324-L326 HydrophobicContact CB-CG 4.41Å; L326-L344 HydrophobicContact CD1-CD2 4.04Å; L326-N347 HydrophobicContact CB-CB 4.29Å; L326-N347 VanDerWaalsContact CB-OD1 3.3Å; L326-N347 WeakPolarHBondContact CB-OD1 3.21Å; L326-N347 WeakPolarHBondContact CG-OD1 3.46Å; L326-N347 PolarHBondContact N-OD1 3Å; L326-L348 CarbonylContact O-C 3.55Å; L326-L348 VanDerWaalsContact O-C 3.26Å; L326-L348 WeakPolarHBondContact O-CA 3.28Å; L326-L348 WeakPolarHBondContact O-CB 3.16Å; L326-L348 PolarHBondContact O-N 2.77Å; L326-L349 HydrophobicContact CB-CD2 3.98Å; L326-L349 WeakPolarHBondContact O-CD2 3.5Å; L326-L349 PolarHBondContact O-N 3.48Å | ||
| 327 | I | 92.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -84.2 | -28.1 | 179.3 | -49.8 | -179.1 | 0 | 0 | 0 | 110.2 | E304 R325 P350 | E304-I327 PolarHBondContact O-N 3.48Å; E304-I327 VanDerWaalsContact O-N 3.11Å; R325-I327 WeakPolarHBondContact O-CG1 3.48Å; R325-I327 PolarHBondContact O-N 3.32Å; I327-P350 WeakPolarHBondContact O-CD 3.13Å |
| 328 | A | 94.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -148.2 | 147.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L349 | A328-L349 VanDerWaalsContact C-CD2 3.44Å |
| 329 | L | 95.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | -89.5 | 123.8 | 171.3 | -170.9 | 70.9 | 0 | 0 | 0 | 108.4 | L306 V333 L342 L344 L349 L352 P353 L356 | L306-L329 HydrophobicContact CD1-CD1 4.22Å; L329-V333 HydrophobicContact CD1-CG2 4.01Å; L329-V333 HydrophobicContact CD2-CG1 4.39Å; L329-V333 HydrophobicContact CG-CB 4.44Å; L329-V333 HydrophobicContact CG-CG2 4.16Å; L329-L342 HydrophobicContact CD2-CD2 4.43Å; L329-L344 HydrophobicContact CD1-CD1 4.11Å; L329-L344 HydrophobicContact CD1-CD2 4.01Å; L329-L344 HydrophobicContact CD2-CD1 3.91Å; L329-L349 HydrophobicContact CB-CD2 4.14Å; L329-L352 HydrophobicContact CD2-CD2 4.29Å; L329-P353 HydrophobicContact CB-CG 4.33Å; L329-P353 HydrophobicContact CD2-CG 4.27Å; L329-P353 HydrophobicContact CG-CG 4.46Å; L329-L356 HydrophobicContact CD2-CD1 4.45Å | ||
| 330 | T | 94.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | trans | -62.5 | 132.6 | -178.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | L306 H308 I310 A332 V333 | L306-T330 HydrophobicContact CB-CG2 4.1Å; H308-T330 PolarHBondContact CD2-OG1 2.75Å; H308-T330 PolarHBondContact NE2-OG1 2.96Å; I310-T330 HydrophobicContact CG2-CG2 3.7Å; T330-A332 HydrophobicContact CG2-CB 4.14Å; T330-A332 PolarHBondContact O-N 2.92Å; T330-A332 PolarHBondContact OG1-N 2.82Å; T330-V333 HydrophobicContact CG2-CG2 4.01Å; T330-V333 PolarHBondContact O-N 3.24Å | ||
| 331 | P | 95.2 | Very high | 95.3 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.6 | -17.8 | 175.8 | -26.7 | 34.5 | 0 | 0 | 0 | 114 | V333 G334 P353 S355 | P331-V333 PolarHBondContact O-N 2.61Å; P331-G334 PolarHBondContact O-N 2.88Å; P331-P353 HydrophobicContact CB-CB 4.17Å; P331-P353 HydrophobicContact CG-CB 4.02Å; P331-S355 WeakPolarHBondContact CA-OG 3.47Å; P331-S355 WeakPolarHBondContact O-CB 3.44Å; P331-S355 PolarHBondContact O-OG 2.69Å |
| 332 | A | 95.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -63.7 | -20.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H308 I310 G311 T330 G334 S335 | H308-A332 WeakPolarHBondContact O-CB 3.48Å; I310-A332 HydrophobicContact CG2-CB 4.33Å; G311-A332 WeakPolarHBondContact CA-O 3.08Å; T330-A332 HydrophobicContact CG2-CB 4.14Å; T330-A332 PolarHBondContact O-N 2.92Å; T330-A332 PolarHBondContact OG1-N 2.82Å; A332-G334 PolarHBondContact O-N 2.76Å; A332-S335 VanDerWaalsContact O-CB 3.22Å; A332-S335 WeakPolarHBondContact O-CB 3.45Å; A332-S335 PolarHBondContact O-N 2.9Å |
| 333 | V | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58.5 | -37.6 | 173.1 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | I310 L329 T330 P331 S335 C336 L339 L342 L359 | I310-V333 HydrophobicContact CG2-CG2 3.99Å; L329-V333 HydrophobicContact CD1-CG2 4.01Å; L329-V333 HydrophobicContact CD2-CG1 4.39Å; L329-V333 HydrophobicContact CG-CB 4.44Å; L329-V333 HydrophobicContact CG-CG2 4.16Å; T330-V333 HydrophobicContact CG2-CG2 4.01Å; T330-V333 PolarHBondContact O-N 3.24Å; P331-V333 PolarHBondContact O-N 2.61Å; V333-S335 PolarHBondContact O-N 3.31Å; V333-C336 WeakPolarHBondContact O-CB 3.31Å; V333-C336 PolarHBondContact O-N 3.26Å; V333-L339 HydrophobicContact CG1-CD2 4.43Å; V333-L342 HydrophobicContact CG1-CD2 4.17Å; V333-L359 HydrophobicContact CG1-CD1 4.38Å |
| 334 | G | 93.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -63.7 | 3.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P331 A332 S355 N358 | P331-G334 PolarHBondContact O-N 2.88Å; A332-G334 PolarHBondContact O-N 2.76Å; G334-S355 VanDerWaalsContact CA-O 3.25Å; G334-S355 WeakPolarHBondContact CA-O 3.46Å; G334-N358 VanDerWaalsContact O-CB 3.23Å; G334-N358 WeakPolarHBondContact O-CB 3.2Å; G334-N358 PolarHBondContact O-ND2 3.1Å |
| 335 | S | 95.7 | Very high | 95.6 | Very high | 46 Ų | 46 | 33 Ų | 33 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -97.8 | -9.3 | 169.6 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | G311 K314 A332 V333 T337 | G311-S335 WeakPolarHBondContact O-CB 3.32Å; K314-S335 WeakPolarHBondContact CD-O 3.46Å; K314-S335 PolarHBondContact NZ-O 3.09Å; A332-S335 VanDerWaalsContact O-CB 3.22Å; A332-S335 WeakPolarHBondContact O-CB 3.45Å; A332-S335 PolarHBondContact O-N 2.9Å; V333-S335 PolarHBondContact O-N 3.31Å; S335-T337 VanDerWaalsContact C-N 3.3Å; S335-T337 PolarHBondContact O-N 3.32Å; S335-T337 VanDerWaalsContact O-N 3.1Å |
| 336 | C | 95.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -84.5 | 67.7 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | I310 L316 V333 L338 L339 L359 | I310-C336 PolarHBondContact O-SG 3.32Å; I310-C336 VanDerWaalsContact O-SG 3.37Å; L316-C336 HydrophobicContact CB-CB 4.36Å; L316-C336 HydrophobicContact CD2-CB 4.47Å; V333-C336 WeakPolarHBondContact O-CB 3.31Å; V333-C336 PolarHBondContact O-N 3.26Å; C336-L338 PolarHBondContact O-N 3.48Å; C336-L339 HydrophobicContact CB-CB 4.23Å; C336-L339 WeakPolarHBondContact O-CB 3.37Å; C336-L339 PolarHBondContact O-N 3.31Å; C336-L359 VanDerWaalsContact O-CD2 3.26Å; C336-L359 WeakPolarHBondContact O-CD2 3.3Å | ||
| 337 | T | 93.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 30 Ų | 30 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -5.7 | -166.9 | 48.9 | 0 | 0 | 0 | 0 | 116.5 | S335 N361 | S335-T337 VanDerWaalsContact C-N 3.3Å; S335-T337 PolarHBondContact O-N 3.32Å; S335-T337 VanDerWaalsContact O-N 3.1Å; T337-N361 PolarHBondContact O-ND2 2.86Å |
| 338 | L | 95.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 28.2 Ų | 28.2 | 44% | 0.44 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.5 | 172.1 | -63.7 | -175.9 | 0 | 0 | 0 | 113.5 | L316 C336 S340 | L316-L338 CarbonylContact O-C 3.6Å; L316-L338 VanDerWaalsContact O-C 3.3Å; C336-L338 PolarHBondContact O-N 3.48Å; L338-S340 PolarHBondContact O-N 3.15Å |
| 339 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -65.5 | 118.3 | -178.1 | -164.2 | 77.2 | 0 | 0 | 0 | 110.5 | L316 T317 L319 V333 C336 L342 L359 N361 L362 | L316-L339 HydrophobicContact CB-CD1 4.44Å; L316-L339 HydrophobicContact CD2-CD1 4Å; L316-L339 HydrophobicContact CG-CD1 3.86Å; L316-L339 WeakPolarHBondContact O-CA 3.45Å; L316-L339 PolarHBondContact O-N 3.23Å; T317-L339 WeakPolarHBondContact O-CD1 3.34Å; L319-L339 HydrophobicContact CB-CD1 3.75Å; L319-L339 HydrophobicContact CB-CD2 4.47Å; V333-L339 HydrophobicContact CG1-CD2 4.43Å; C336-L339 HydrophobicContact CB-CB 4.23Å; C336-L339 WeakPolarHBondContact O-CB 3.37Å; C336-L339 PolarHBondContact O-N 3.31Å; L339-L342 HydrophobicContact CD2-CB 3.93Å; L339-L342 HydrophobicContact CD2-CD1 4.29Å; L339-L342 HydrophobicContact CD2-CD2 4.18Å; L339-L342 HydrophobicContact CD2-CG 4.36Å; L339-L359 HydrophobicContact CB-CD1 4.43Å; L339-L359 HydrophobicContact CB-CD2 4.41Å; L339-L359 HydrophobicContact CD2-CD1 3.89Å; L339-N361 CarbonylContact O-C 3.13Å; L339-L362 HydrophobicContact CD2-CD1 4.37Å; L339-L362 HydrophobicContact CG-CD1 4.42Å; L339-L362 VanDerWaalsContact O-CA 3.26Å; L339-L362 WeakPolarHBondContact O-CA 3.38Å; L339-L362 PolarHBondContact O-N 3.09Å; L339-L362 VanDerWaalsContact O-N 3.16Å | ||
| 340 | S | 96.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | trans | -102.4 | -37.1 | 178.7 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | T317 L338 N361 T363 I364 | T317-S340 PolarHBondContact O-N 3.15Å; T317-S340 PolarHBondContact O-OG 3.06Å; T317-S340 VanDerWaalsContact O-OG 3.09Å; L338-S340 PolarHBondContact O-N 3.15Å; S340-N361 WeakPolarHBondContact CA-O 3.35Å; S340-T363 PolarHBondContact O-N 2.93Å; S340-T363 PolarHBondContact O-OG1 3.46Å; S340-I364 PolarHBondContact O-N 2.77Å | ||
| 341 | E | 97.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 34 Ų | 34 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.6 | 179.2 | -168.6 | -169.8 | 170 | 0 | 0 | 111.2 | T317 I318 L319 K320 I343 I364 | T317-E341 PolarHBondContact O-N 3.04Å; I318-E341 HydrophobicContact CG1-CB 4.22Å; I318-E341 HydrophobicContact CG2-CB 4.34Å; L319-E341 PolarHBondContact N-O 2.9Å; K320-E341 VanDerWaalsContact CE-OE1 3.3Å; K320-E341 WeakPolarHBondContact CE-OE1 3.24Å; K320-E341 WeakPolarHBondContact CE-OE2 3.12Å; K320-E341 IonicContact NZ-OE1 2.62Å; K320-E341 PolarHBondContact NZ-OE1 3.28Å; K320-E341 IonicContact NZ-OE2 2.77Å; K320-E341 PolarHBondContact NZ-OE2 2.82Å; E341-I343 HydrophobicContact CG-CD1 3.86Å; E341-I343 HydrophobicContact CG-CG1 3.92Å; E341-I343 WeakPolarHBondContact OE1-CD1 3.31Å; E341-I343 WeakPolarHBondContact OE1-CG1 3.2Å; E341-I364 HydrophobicContact CG-CB 4.12Å; E341-I364 HydrophobicContact CG-CG2 4.21Å |
| 342 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 110.5 | 173.4 | -180 | 54.1 | 0 | 0 | 0 | 110.5 | L319 L329 V333 L339 L344 L356 L362 I364 L365 N366 | L319-L342 HydrophobicContact CB-CD1 4.14Å; L319-L342 HydrophobicContact CD2-CD1 4.02Å; L319-L342 HydrophobicContact CG-CD1 4.07Å; L329-L342 HydrophobicContact CD2-CD2 4.43Å; V333-L342 HydrophobicContact CG1-CD2 4.17Å; L339-L342 HydrophobicContact CD2-CB 3.93Å; L339-L342 HydrophobicContact CD2-CD1 4.29Å; L339-L342 HydrophobicContact CD2-CD2 4.18Å; L339-L342 HydrophobicContact CD2-CG 4.36Å; L342-L344 HydrophobicContact CD1-CD1 4.13Å; L342-L344 HydrophobicContact CD1-CD2 4.1Å; L342-L344 HydrophobicContact CD1-CG 3.93Å; L342-L344 HydrophobicContact CD2-CD1 4.05Å; L342-L344 HydrophobicContact CG-CD1 3.93Å; L342-L344 HydrophobicContact CG-CG 4.05Å; L342-L356 HydrophobicContact CD2-CD1 3.85Å; L342-L362 HydrophobicContact CB-CD1 3.84Å; L342-I364 PolarHBondContact N-O 3.19Å; L342-L365 HydrophobicContact CB-CD1 4.01Å; L342-L365 HydrophobicContact CD2-CD1 3.93Å; L342-L365 HydrophobicContact CG-CD1 3.94Å; L342-N366 PolarHBondContact O-N 2.85Å |
| 343 | I | 97.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.1 | -179.7 | -49.8 | -58.9 | 0 | 0 | 0 | 109.7 | L319 K320 V321 D322 E341 T345 I364 N366 | L319-I343 PolarHBondContact O-N 2.87Å; K320-I343 HydrophobicContact CB-CB 4.28Å; K320-I343 HydrophobicContact CD-CG1 4.31Å; K320-I343 HydrophobicContact CG-CB 4.34Å; K320-I343 HydrophobicContact CG-CG1 4.14Å; V321-I343 CarbonylContact C-O 3.56Å; V321-I343 PolarHBondContact N-O 2.89Å; D322-I343 HydrophobicContact CB-CG2 4.18Å; E341-I343 HydrophobicContact CG-CD1 3.86Å; E341-I343 HydrophobicContact CG-CG1 3.92Å; E341-I343 WeakPolarHBondContact OE1-CD1 3.31Å; E341-I343 WeakPolarHBondContact OE1-CG1 3.2Å; I343-T345 WeakPolarHBondContact CG2-OG1 3.31Å; I343-I364 HydrophobicContact CD1-CG2 4Å; I343-N366 HydrophobicContact CD1-CB 3.8Å; I343-N366 HydrophobicContact CG2-CB 4.43Å |
| 344 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -127.6 | 12.7 | -175.2 | -65.2 | 170.8 | 0 | 0 | 0 | 112.4 | V321 L326 L329 L342 N347 L349 N366 V367 N370 | V321-L344 HydrophobicContact CB-CD2 4.31Å; L326-L344 HydrophobicContact CD1-CD2 4.04Å; L329-L344 HydrophobicContact CD1-CD1 4.11Å; L329-L344 HydrophobicContact CD1-CD2 4.01Å; L329-L344 HydrophobicContact CD2-CD1 3.91Å; L342-L344 HydrophobicContact CD1-CD1 4.13Å; L342-L344 HydrophobicContact CD1-CD2 4.1Å; L342-L344 HydrophobicContact CD1-CG 3.93Å; L342-L344 HydrophobicContact CD2-CD1 4.05Å; L342-L344 HydrophobicContact CG-CD1 3.93Å; L342-L344 HydrophobicContact CG-CG 4.05Å; L344-N347 PolarHBondContact O-ND2 3Å; L344-L349 HydrophobicContact CB-CD1 4.29Å; L344-L349 HydrophobicContact CD1-CD1 4Å; L344-N366 PolarHBondContact N-O 3.15Å; L344-V367 HydrophobicContact CB-CG1 4.07Å; L344-V367 HydrophobicContact CD1-CG2 4.4Å; L344-N370 PolarHBondContact O-ND2 2.72Å | ||
| 345 | T | 95.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 15% | 0.153 | 20% | 0.204 | C | C | . | . | trans | -45.9 | 137.1 | 179 | -46 | 0 | 0 | 0 | 0 | 112.9 | D322 K323 I343 N366 D368 | D322-T345 CarbonylContact C-O 3.56Å; D322-T345 WeakPolarHBondContact CA-O 3.28Å; D322-T345 VanDerWaalsContact CB-O 3.3Å; D322-T345 WeakPolarHBondContact CB-O 3.3Å; K323-T345 PolarHBondContact N-O 2.83Å; I343-T345 WeakPolarHBondContact CG2-OG1 3.31Å; T345-N366 VanDerWaalsContact OG1-CG 3.25Å; T345-N366 PolarHBondContact OG1-OD1 3.1Å; T345-D368 CarbonylContact C-O 3.6Å; T345-D368 VanDerWaalsContact CA-O 3.3Å; T345-D368 WeakPolarHBondContact CA-O 3.42Å; T345-D368 HydrophobicContact CG2-CB 3.98Å | ||
| 346 | E | 96.2 | Very high | 95.9 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 57 | 62.7 | 177.9 | -65.6 | 175.5 | -155.5 | 0 | 0 | 112.6 | K323 N324 D368 K369 | K323-E346 VanDerWaalsContact CA-O 3.24Å; K323-E346 WeakPolarHBondContact CA-O 3.42Å; K323-E346 WeakPolarHBondContact CE-OE2 3.45Å; K323-E346 HydrophobicContact CG-CB 3.82Å; K323-E346 HydrophobicContact CG-CG 4.45Å; K323-E346 WeakPolarHBondContact CG-OE2 3.46Å; K323-E346 PolarHBondContact N-O 2.68Å; N324-E346 PolarHBondContact N-O 3.2Å; E346-D368 PolarHBondContact N-O 3.49Å; E346-K369 WeakPolarHBondContact CA-O 3.39Å; E346-K369 HydrophobicContact CG-CB 3.73Å; E346-K369 HydrophobicContact CG-CD 3.39Å; E346-K369 HydrophobicContact CG-CG 4.23Å; E346-K369 VanDerWaalsContact OE1-CD 3.23Å; E346-K369 WeakPolarHBondContact OE1-CD 3.42Å; E346-K369 IonicContact OE1-NZ 2.68Å; E346-K369 PolarHBondContact OE1-NZ 2.7Å |
| 347 | N | 96.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | trans | -128.9 | -170.3 | 171.2 | -86.5 | -81 | 0 | 0 | 0 | 110.6 | V321 N324 R325 L326 L344 L349 N370 | V321-N347 PolarHBondContact O-ND2 3.08Å; N324-N347 WeakPolarHBondContact CA-OD1 3.15Å; N324-N347 WeakPolarHBondContact CB-OD1 3.46Å; N324-N347 PolarHBondContact O-OD1 3.4Å; R325-N347 PolarHBondContact N-OD1 2.83Å; L326-N347 HydrophobicContact CB-CB 4.29Å; L326-N347 VanDerWaalsContact CB-OD1 3.3Å; L326-N347 WeakPolarHBondContact CB-OD1 3.21Å; L326-N347 WeakPolarHBondContact CG-OD1 3.46Å; L326-N347 PolarHBondContact N-OD1 3Å; L344-N347 PolarHBondContact O-ND2 3Å; N347-L349 HydrophobicContact CB-CG 4.33Å; N347-N370 WeakPolarHBondContact CA-OD1 3.47Å; N347-N370 WeakPolarHBondContact CB-OD1 3.09Å; N347-N370 PolarHBondContact O-OD1 3.18Å | ||
| 348 | L | 95.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | trans | -113.2 | 16.6 | -173.8 | -56.3 | 177.6 | 0 | 0 | 0 | 113.3 | R325 L326 P350 N370 | R325-L348 HydrophobicContact CB-CD1 4.33Å; L326-L348 CarbonylContact O-C 3.55Å; L326-L348 VanDerWaalsContact O-C 3.26Å; L326-L348 WeakPolarHBondContact O-CA 3.28Å; L326-L348 WeakPolarHBondContact O-CB 3.16Å; L326-L348 PolarHBondContact O-N 2.77Å; L348-P350 WeakPolarHBondContact O-CD 3.31Å; L348-N370 PolarHBondContact N-OD1 3.3Å | ||
| 349 | L | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -66.4 | 121.8 | -170.7 | -59.7 | 172.5 | 0 | 0 | 0 | 111.9 | L326 A328 L329 L344 N347 L352 V367 N370 R371 L372 | L326-L349 HydrophobicContact CB-CD2 3.98Å; L326-L349 WeakPolarHBondContact O-CD2 3.5Å; L326-L349 PolarHBondContact O-N 3.48Å; A328-L349 VanDerWaalsContact C-CD2 3.44Å; L329-L349 HydrophobicContact CB-CD2 4.14Å; L344-L349 HydrophobicContact CB-CD1 4.29Å; L344-L349 HydrophobicContact CD1-CD1 4Å; N347-L349 HydrophobicContact CB-CG 4.33Å; L349-L352 HydrophobicContact CD1-CD2 4.22Å; L349-V367 HydrophobicContact CD1-CG1 4.06Å; L349-N370 HydrophobicContact CB-CB 4.42Å; L349-N370 VanDerWaalsContact CB-OD1 3.31Å; L349-N370 WeakPolarHBondContact CB-OD1 3.48Å; L349-N370 WeakPolarHBondContact CG-OD1 3.33Å; L349-N370 PolarHBondContact N-OD1 3.24Å; L349-N370 VanDerWaalsContact N-OD1 3.12Å; L349-R371 CarbonylContact O-C 3.53Å; L349-R371 VanDerWaalsContact O-CA 3.25Å; L349-R371 WeakPolarHBondContact O-CA 3.45Å; L349-R371 WeakPolarHBondContact O-CB 3.45Å; L349-R371 PolarHBondContact O-N 2.7Å; L349-L372 HydrophobicContact CB-CD2 4.19Å; L349-L372 PolarHBondContact O-N 2.71Å | ||
| 350 | P | 93 | Very high | 95.6 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -88.8 | -20.6 | 175.5 | 34.9 | -33.6 | 0 | 0 | 0 | 113.4 | I327 L348 L372 V373 | I327-P350 WeakPolarHBondContact O-CD 3.13Å; L348-P350 WeakPolarHBondContact O-CD 3.31Å; P350-L372 WeakPolarHBondContact O-CA 3.35Å; P350-V373 PolarHBondContact O-N 3.25Å |
| 351 | E | 94.7 | Very high | 95.6 | Very high | 124 Ų | 124 | 36.5 Ų | 36.5 | 58% | 0.579 | 20% | 0.196 | S | C | * | . | trans | -148.2 | 167.1 | -178.8 | 65.4 | 179.3 | -148.6 | 0 | 0 | 110.4 | ||||
| 352 | L | 96.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | trans | -117.8 | 137.7 | 168.8 | -66.7 | 174.4 | 0 | 0 | 0 | 109.7 | L329 L349 L356 V367 L372 L375 P376 | L329-L352 HydrophobicContact CD2-CD2 4.29Å; L349-L352 HydrophobicContact CD1-CD2 4.22Å; L352-L356 HydrophobicContact CB-CD2 4.23Å; L352-L356 HydrophobicContact CD1-CD2 3.91Å; L352-L356 HydrophobicContact CG-CD2 4.5Å; L352-V367 HydrophobicContact CD1-CG2 4.26Å; L352-V367 HydrophobicContact CD2-CG1 4.38Å; L352-L372 HydrophobicContact CD1-CD1 3.97Å; L352-L372 HydrophobicContact CD2-CD2 4.31Å; L352-L372 HydrophobicContact CG-CD1 4.14Å; L352-L372 HydrophobicContact CG-CD2 3.86Å; L352-L375 HydrophobicContact CD1-CD2 4.05Å; L352-P376 HydrophobicContact CB-CG 4.23Å | ||
| 353 | P | 96.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | trans | -67.3 | 139.2 | -177.6 | 28.7 | -36.1 | 0 | 0 | 0 | 111.1 | L329 P331 S355 L356 | L329-P353 HydrophobicContact CB-CG 4.33Å; L329-P353 HydrophobicContact CD2-CG 4.27Å; L329-P353 HydrophobicContact CG-CG 4.46Å; P331-P353 HydrophobicContact CB-CB 4.17Å; P331-P353 HydrophobicContact CG-CB 4.02Å; P353-S355 PolarHBondContact O-N 3.22Å; P353-L356 WeakPolarHBondContact O-CB 3.29Å; P353-L356 PolarHBondContact O-N 3.26Å | ||
| 354 | S | 93.7 | Very high | 95.4 | Very high | 79 Ų | 79 | 38 Ų | 38 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -59.8 | -21.3 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | L356 G357 T378 | S354-L356 PolarHBondContact O-N 2.69Å; S354-G357 PolarHBondContact O-N 2.81Å; S354-T378 WeakPolarHBondContact CA-OG1 3.36Å; S354-T378 WeakPolarHBondContact O-CB 3.42Å; S354-T378 PolarHBondContact O-OG1 2.76Å |
| 355 | S | 95.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 38 Ų | 38 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -66.1 | -11.8 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | P331 G334 P353 G357 N358 | P331-S355 WeakPolarHBondContact CA-OG 3.47Å; P331-S355 WeakPolarHBondContact O-CB 3.44Å; P331-S355 PolarHBondContact O-OG 2.69Å; G334-S355 VanDerWaalsContact CA-O 3.25Å; G334-S355 WeakPolarHBondContact CA-O 3.46Å; P353-S355 PolarHBondContact O-N 3.22Å; S355-G357 PolarHBondContact O-N 3.12Å; S355-N358 VanDerWaalsContact O-CB 3.24Å; S355-N358 WeakPolarHBondContact O-CB 3.48Å; S355-N358 PolarHBondContact O-N 2.93Å; S355-N358 VanDerWaalsContact O-N 3.07Å; S355-N358 PolarHBondContact O-ND2 2.86Å |
| 356 | L | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -58.7 | -32.3 | 174.7 | -167.8 | 70 | 0 | 0 | 0 | 112 | L329 L342 L352 P353 S354 N358 L359 L365 I379 C382 | L329-L356 HydrophobicContact CD2-CD1 4.45Å; L342-L356 HydrophobicContact CD2-CD1 3.85Å; L352-L356 HydrophobicContact CB-CD2 4.23Å; L352-L356 HydrophobicContact CD1-CD2 3.91Å; L352-L356 HydrophobicContact CG-CD2 4.5Å; P353-L356 WeakPolarHBondContact O-CB 3.29Å; P353-L356 PolarHBondContact O-N 3.26Å; S354-L356 PolarHBondContact O-N 2.69Å; L356-N358 PolarHBondContact O-N 3.16Å; L356-N358 VanDerWaalsContact O-N 3.08Å; L356-L359 HydrophobicContact CD1-CD1 3.71Å; L356-L359 WeakPolarHBondContact O-CB 3.5Å; L356-L359 WeakPolarHBondContact O-CG 3.2Å; L356-L359 PolarHBondContact O-N 2.9Å; L356-L365 HydrophobicContact CD2-CD2 3.89Å; L356-I379 HydrophobicContact CD2-CD1 4.2Å; L356-C382 PolarHBondContact O-SG 3.33Å; L356-C382 VanDerWaalsContact O-SG 3.41Å |
| 357 | G | 92.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -62.5 | -11.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S354 S355 L359 T378 S381 | S354-G357 PolarHBondContact O-N 2.81Å; S355-G357 PolarHBondContact O-N 3.12Å; G357-L359 PolarHBondContact O-N 3.37Å; G357-T378 WeakPolarHBondContact CA-O 3.32Å; G357-S381 WeakPolarHBondContact O-CB 3.36Å |
| 358 | N | 94.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 35.4 Ų | 35.4 | 48% | 0.476 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -75.2 | -13 | 173.1 | -63.1 | -16.3 | 0 | 0 | 0 | 112.8 | G334 S355 L356 K360 | G334-N358 VanDerWaalsContact O-CB 3.23Å; G334-N358 WeakPolarHBondContact O-CB 3.2Å; G334-N358 PolarHBondContact O-ND2 3.1Å; S355-N358 VanDerWaalsContact O-CB 3.24Å; S355-N358 WeakPolarHBondContact O-CB 3.48Å; S355-N358 PolarHBondContact O-N 2.93Å; S355-N358 VanDerWaalsContact O-N 3.07Å; S355-N358 PolarHBondContact O-ND2 2.86Å; L356-N358 PolarHBondContact O-N 3.16Å; L356-N358 VanDerWaalsContact O-N 3.08Å; N358-K360 PolarHBondContact O-N 3.14Å |
| 359 | L | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -81.5 | 67.4 | -175.9 | -57.6 | -173.7 | 0 | 0 | 0 | 111.4 | V333 C336 L339 L356 G357 N361 L362 | V333-L359 HydrophobicContact CG1-CD1 4.38Å; C336-L359 VanDerWaalsContact O-CD2 3.26Å; C336-L359 WeakPolarHBondContact O-CD2 3.3Å; L339-L359 HydrophobicContact CB-CD1 4.43Å; L339-L359 HydrophobicContact CB-CD2 4.41Å; L339-L359 HydrophobicContact CD2-CD1 3.89Å; L356-L359 HydrophobicContact CD1-CD1 3.71Å; L356-L359 WeakPolarHBondContact O-CB 3.5Å; L356-L359 WeakPolarHBondContact O-CG 3.2Å; L356-L359 PolarHBondContact O-N 2.9Å; G357-L359 PolarHBondContact O-N 3.37Å; L359-N361 PolarHBondContact O-N 3Å; L359-L362 HydrophobicContact CB-CB 3.9Å; L359-L362 HydrophobicContact CB-CD2 4.43Å; L359-L362 HydrophobicContact CD1-CD1 4.35Å; L359-L362 HydrophobicContact CD1-CD2 4.35Å; L359-L362 VanDerWaalsContact O-CB 3.24Å; L359-L362 WeakPolarHBondContact O-CB 3.49Å; L359-L362 PolarHBondContact O-N 3.34Å | ||
| 360 | K | 92.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 38 Ų | 38 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -10.3 | -178.3 | -60.1 | -59.9 | -174.8 | 163.4 | 0 | 115.2 | N358 S381 | N358-K360 PolarHBondContact O-N 3.14Å; K360-S381 WeakPolarHBondContact CD-O 3.49Å; K360-S381 WeakPolarHBondContact CE-O 3.21Å; K360-S381 PolarHBondContact NZ-O 2.8Å |
| 361 | N | 94.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 0.9 | 174.9 | -68.5 | -61.7 | 0 | 0 | 0 | 114 | T337 L339 S340 L359 T363 K384 | T337-N361 PolarHBondContact O-ND2 2.86Å; L339-N361 CarbonylContact O-C 3.13Å; S340-N361 WeakPolarHBondContact CA-O 3.35Å; L359-N361 PolarHBondContact O-N 3Å; N361-T363 PolarHBondContact O-N 3.11Å; N361-K384 PolarHBondContact OD1-NZ 2.91Å |
| 362 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -66.9 | 114 | -178.9 | -165 | 71.5 | 0 | 0 | 0 | 110 | L339 L342 L359 L365 K384 L385 | L339-L362 HydrophobicContact CD2-CD1 4.37Å; L339-L362 HydrophobicContact CG-CD1 4.42Å; L339-L362 VanDerWaalsContact O-CA 3.26Å; L339-L362 WeakPolarHBondContact O-CA 3.38Å; L339-L362 PolarHBondContact O-N 3.09Å; L339-L362 VanDerWaalsContact O-N 3.16Å; L342-L362 HydrophobicContact CB-CD1 3.84Å; L359-L362 HydrophobicContact CB-CB 3.9Å; L359-L362 HydrophobicContact CB-CD2 4.43Å; L359-L362 HydrophobicContact CD1-CD1 4.35Å; L359-L362 HydrophobicContact CD1-CD2 4.35Å; L359-L362 VanDerWaalsContact O-CB 3.24Å; L359-L362 WeakPolarHBondContact O-CB 3.49Å; L359-L362 PolarHBondContact O-N 3.34Å; L362-L365 HydrophobicContact CD2-CB 4.01Å; L362-L365 HydrophobicContact CD2-CD1 4.48Å; L362-L365 HydrophobicContact CD2-CD2 4.24Å; L362-L365 HydrophobicContact CD2-CG 4.47Å; L362-K384 CarbonylContact O-C 3.48Å; L362-K384 VanDerWaalsContact O-C 3.28Å; L362-L385 HydrophobicContact CD2-CD1 4.33Å; L362-L385 HydrophobicContact CG-CD1 4.21Å; L362-L385 WeakPolarHBondContact O-CA 3.35Å; L362-L385 PolarHBondContact O-N 3.17Å; L362-L385 VanDerWaalsContact O-N 3.14Å | ||
| 363 | T | 96.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 40 Ų | 40 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | trans | -101.4 | -29.1 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | S340 N361 K384 G386 V387 | S340-T363 PolarHBondContact O-N 2.93Å; S340-T363 PolarHBondContact O-OG1 3.46Å; N361-T363 PolarHBondContact O-N 3.11Å; T363-K384 WeakPolarHBondContact CA-O 3.14Å; T363-K384 HydrophobicContact CG2-CB 4.27Å; T363-G386 PolarHBondContact O-N 2.75Å; T363-V387 PolarHBondContact O-N 2.85Å | ||
| 364 | I | 96.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.2 | -179.6 | -58 | 176.7 | 0 | 0 | 0 | 109.8 | S340 E341 L342 I343 V387 | S340-I364 PolarHBondContact O-N 2.77Å; E341-I364 HydrophobicContact CG-CB 4.12Å; E341-I364 HydrophobicContact CG-CG2 4.21Å; L342-I364 PolarHBondContact N-O 3.19Å; I343-I364 HydrophobicContact CD1-CG2 4Å; I364-V387 HydrophobicContact CG1-CB 4.22Å; I364-V387 HydrophobicContact CG1-CG2 4.33Å; I364-V387 HydrophobicContact CG2-CB 4.34Å; I364-V387 HydrophobicContact CG2-CG1 4.48Å |
| 365 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 112.7 | 169.7 | 179.8 | 57.3 | 0 | 0 | 0 | 109.5 | L342 L356 L362 V367 I379 L385 V387 L388 S389 | L342-L365 HydrophobicContact CB-CD1 4.01Å; L342-L365 HydrophobicContact CD2-CD1 3.93Å; L342-L365 HydrophobicContact CG-CD1 3.94Å; L356-L365 HydrophobicContact CD2-CD2 3.89Å; L362-L365 HydrophobicContact CD2-CB 4.01Å; L362-L365 HydrophobicContact CD2-CD1 4.48Å; L362-L365 HydrophobicContact CD2-CD2 4.24Å; L362-L365 HydrophobicContact CD2-CG 4.47Å; L365-V367 HydrophobicContact CD1-CG2 3.65Å; L365-V367 HydrophobicContact CD2-CG2 4.41Å; L365-V367 HydrophobicContact CG-CG2 3.83Å; L365-I379 HydrophobicContact CD2-CD1 3.87Å; L365-L385 HydrophobicContact CB-CD1 3.8Å; L365-L385 HydrophobicContact CB-CD2 4.48Å; L365-V387 PolarHBondContact N-O 3.01Å; L365-L388 HydrophobicContact CB-CD1 4.13Å; L365-L388 HydrophobicContact CD2-CD1 3.85Å; L365-L388 HydrophobicContact CG-CD1 4.04Å; L365-L388 WeakPolarHBondContact O-CA 3.48Å; L365-S389 PolarHBondContact O-N 2.81Å |
| 366 | N | 96.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.7 | 170.1 | -174.3 | -52.8 | 0 | 0 | 0 | 109.9 | L342 I343 L344 T345 D368 S389 | L342-N366 PolarHBondContact O-N 2.85Å; I343-N366 HydrophobicContact CD1-CB 3.8Å; I343-N366 HydrophobicContact CG2-CB 4.43Å; L344-N366 PolarHBondContact N-O 3.15Å; T345-N366 VanDerWaalsContact OG1-CG 3.25Å; T345-N366 PolarHBondContact OG1-OD1 3.1Å; N366-D368 PolarHBondContact ND2-OD2 3.35Å; N366-D368 WeakPolarHBondContact OD1-CB 3.32Å; N366-D368 PolarHBondContact OD1-N 2.84Å; N366-D368 PolarHBondContact OD1-OD2 3.38Å; N366-S389 WeakPolarHBondContact ND2-CB 3.17Å; N366-S389 PolarHBondContact ND2-OG 3.12Å |
| 367 | V | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -128.1 | 32.7 | 174.8 | -154.4 | 0 | 0 | 0 | 0 | 110.2 | L344 L349 L352 L365 N370 L372 S389 N393 | L344-V367 HydrophobicContact CB-CG1 4.07Å; L344-V367 HydrophobicContact CD1-CG2 4.4Å; L349-V367 HydrophobicContact CD1-CG1 4.06Å; L352-V367 HydrophobicContact CD1-CG2 4.26Å; L352-V367 HydrophobicContact CD2-CG1 4.38Å; L365-V367 HydrophobicContact CD1-CG2 3.65Å; L365-V367 HydrophobicContact CD2-CG2 4.41Å; L365-V367 HydrophobicContact CG-CG2 3.83Å; V367-N370 HydrophobicContact CG1-CB 4.08Å; V367-N370 PolarHBondContact O-ND2 3.45Å; V367-L372 HydrophobicContact CB-CD1 4.12Å; V367-L372 HydrophobicContact CG1-CD1 3.87Å; V367-L372 HydrophobicContact CG1-CG 4.47Å; V367-S389 PolarHBondContact N-O 3.18Å; V367-N393 PolarHBondContact O-ND2 2.84Å | ||
| 368 | D | 95.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | trans | -57.4 | 151.8 | 178.8 | -64.5 | -19.5 | 0 | 0 | 0 | 111.7 | T345 E346 N366 N370 S389 L390 R391 | T345-D368 CarbonylContact C-O 3.6Å; T345-D368 VanDerWaalsContact CA-O 3.3Å; T345-D368 WeakPolarHBondContact CA-O 3.42Å; T345-D368 HydrophobicContact CG2-CB 3.98Å; E346-D368 PolarHBondContact N-O 3.49Å; N366-D368 PolarHBondContact ND2-OD2 3.35Å; N366-D368 WeakPolarHBondContact OD1-CB 3.32Å; N366-D368 PolarHBondContact OD1-N 2.84Å; N366-D368 PolarHBondContact OD1-OD2 3.38Å; D368-N370 VanDerWaalsContact C-N 3.31Å; D368-N370 PolarHBondContact O-N 3.39Å; D368-N370 PolarHBondContact O-ND2 3.37Å; D368-S389 VanDerWaalsContact CG-OG 3.25Å; D368-S389 VanDerWaalsContact OD1-CB 3.27Å; D368-S389 WeakPolarHBondContact OD1-CB 3.34Å; D368-S389 PolarHBondContact OD1-OG 3.01Å; D368-S389 PolarHBondContact OD2-OG 3.08Å; D368-L390 PolarHBondContact OD1-N 2.82Å; D368-R391 CarbonylContact C-O 3.22Å; D368-R391 WeakPolarHBondContact CA-O 3.12Å; D368-R391 HydrophobicContact CB-CB 4.22Å; D368-R391 VanDerWaalsContact OD1-CB 3.29Å; D368-R391 WeakPolarHBondContact OD1-CB 3.37Å; D368-R391 PolarHBondContact OD1-N 2.85Å | ||
| 369 | K | 94.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 45% | 0.452 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 52.5 | 46.3 | 174.6 | -60.5 | 172.1 | -179.5 | -179 | 0 | 112.9 | E346 R391 T392 | E346-K369 WeakPolarHBondContact CA-O 3.39Å; E346-K369 HydrophobicContact CG-CB 3.73Å; E346-K369 HydrophobicContact CG-CD 3.39Å; E346-K369 HydrophobicContact CG-CG 4.23Å; E346-K369 VanDerWaalsContact OE1-CD 3.23Å; E346-K369 WeakPolarHBondContact OE1-CD 3.42Å; E346-K369 IonicContact OE1-NZ 2.68Å; E346-K369 PolarHBondContact OE1-NZ 2.7Å; K369-R391 PolarHBondContact N-O 3.29Å; K369-T392 VanDerWaalsContact CA-O 3.28Å; K369-T392 WeakPolarHBondContact CA-O 3.44Å; K369-T392 HydrophobicContact CG-CG2 4.34Å |
| 370 | N | 95.7 | Very high | 94.2 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -112 | -159.6 | 172.7 | -86.8 | -93.4 | 0 | 0 | 0 | 109.7 | L344 N347 L348 L349 V367 D368 L372 N393 | L344-N370 PolarHBondContact O-ND2 2.72Å; N347-N370 WeakPolarHBondContact CA-OD1 3.47Å; N347-N370 WeakPolarHBondContact CB-OD1 3.09Å; N347-N370 PolarHBondContact O-OD1 3.18Å; L348-N370 PolarHBondContact N-OD1 3.3Å; L349-N370 HydrophobicContact CB-CB 4.42Å; L349-N370 VanDerWaalsContact CB-OD1 3.31Å; L349-N370 WeakPolarHBondContact CB-OD1 3.48Å; L349-N370 WeakPolarHBondContact CG-OD1 3.33Å; L349-N370 PolarHBondContact N-OD1 3.24Å; L349-N370 VanDerWaalsContact N-OD1 3.12Å; V367-N370 HydrophobicContact CG1-CB 4.08Å; V367-N370 PolarHBondContact O-ND2 3.45Å; D368-N370 VanDerWaalsContact C-N 3.31Å; D368-N370 PolarHBondContact O-N 3.39Å; D368-N370 PolarHBondContact O-ND2 3.37Å; N370-L372 HydrophobicContact CB-CG 4.42Å; N370-N393 VanDerWaalsContact CA-OD1 3.31Å; N370-N393 WeakPolarHBondContact CA-OD1 3.32Å; N370-N393 WeakPolarHBondContact CB-OD1 3.38Å; N370-N393 PolarHBondContact N-OD1 2.82Å; N370-N393 PolarHBondContact O-OD1 3.45Å |
| 371 | R | 94.1 | Very high | 94.3 | Very high | 153 Ų | 153 | 39.1 Ų | 39.1 | 58% | 0.577 | 21% | 0.206 | S | C | * | . | trans | -122.6 | 19.7 | -176.1 | -57.1 | -178.4 | 175.5 | -160.2 | -4.1 | 112.5 | L349 V373 N393 | L349-R371 CarbonylContact O-C 3.53Å; L349-R371 VanDerWaalsContact O-CA 3.25Å; L349-R371 WeakPolarHBondContact O-CA 3.45Å; L349-R371 WeakPolarHBondContact O-CB 3.45Å; L349-R371 PolarHBondContact O-N 2.7Å; R371-V373 PolarHBondContact O-N 3.5Å; R371-N393 PolarHBondContact N-OD1 3.24Å | ||
| 372 | L | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -59.2 | 122.7 | -172.6 | -60 | -180 | 0 | 0 | 0 | 111.3 | L349 P350 L352 V367 N370 L375 L390 N393 A394 L395 | L349-L372 HydrophobicContact CB-CD2 4.19Å; L349-L372 PolarHBondContact O-N 2.71Å; P350-L372 WeakPolarHBondContact O-CA 3.35Å; L352-L372 HydrophobicContact CD1-CD1 3.97Å; L352-L372 HydrophobicContact CD2-CD2 4.31Å; L352-L372 HydrophobicContact CG-CD1 4.14Å; L352-L372 HydrophobicContact CG-CD2 3.86Å; V367-L372 HydrophobicContact CB-CD1 4.12Å; V367-L372 HydrophobicContact CG1-CD1 3.87Å; V367-L372 HydrophobicContact CG1-CG 4.47Å; N370-L372 HydrophobicContact CB-CG 4.42Å; L372-L375 HydrophobicContact CD1-CD2 3.95Å; L372-L390 HydrophobicContact CD1-CD2 4.23Å; L372-N393 HydrophobicContact CB-CB 4.19Å; L372-N393 WeakPolarHBondContact CB-OD1 3.41Å; L372-N393 WeakPolarHBondContact CG-OD1 3.43Å; L372-N393 PolarHBondContact N-OD1 2.9Å; L372-A394 CarbonylContact O-C 3.5Å; L372-A394 WeakPolarHBondContact O-CA 3.32Å; L372-A394 WeakPolarHBondContact O-CB 3.15Å; L372-A394 PolarHBondContact O-N 3.13Å; L372-L395 HydrophobicContact CB-CD2 3.97Å; L372-L395 HydrophobicContact CB-CG 4.49Å; L372-L395 PolarHBondContact O-N 2.89Å | ||
| 373 | V | 90.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -92.4 | -35.7 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | P350 R371 A394 | P350-V373 PolarHBondContact O-N 3.25Å; R371-V373 PolarHBondContact O-N 3.5Å; V373-A394 HydrophobicContact CG2-CB 4.38Å |
| 374 | E | 90.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 39.9 Ų | 39.9 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | trans | -141.2 | 167.5 | 175 | 57 | -177.4 | -130 | 0 | 0 | 110.1 | R432 | E374-R432 IonicContact OE2-NH2 3.09Š| ||
| 375 | L | 93.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | trans | -112.5 | 142.6 | 169.5 | -62.3 | 174.8 | 0 | 0 | 0 | 109 | L352 L372 S377 L390 L395 L398 P399 | L352-L375 HydrophobicContact CD1-CD2 4.05Å; L372-L375 HydrophobicContact CD1-CD2 3.95Å; L375-S377 PolarHBondContact O-N 2.79Å; L375-L390 HydrophobicContact CD1-CD1 3.72Å; L375-L390 HydrophobicContact CD1-CD2 4.4Å; L375-L390 HydrophobicContact CD2-CD2 3.95Å; L375-L395 HydrophobicContact CD1-CD1 4.43Å; L375-L395 HydrophobicContact CD2-CD2 4.38Å; L375-L395 HydrophobicContact CG-CD1 4.36Å; L375-L395 HydrophobicContact CG-CD2 4.1Å; L375-L398 HydrophobicContact CD1-CD2 3.82Å; L375-P399 HydrophobicContact CB-CG 4.03Å | ||
| 376 | P | 94 | Very high | 93.3 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | trans | -65.2 | 135 | 174.4 | 29.1 | -35.4 | 0 | 0 | 0 | 109.8 | L352 T378 I379 | L352-P376 HydrophobicContact CB-CG 4.23Å; P376-T378 PolarHBondContact O-N 2.75Å; P376-I379 WeakPolarHBondContact O-CB 3.25Å; P376-I379 VanDerWaalsContact O-CG2 3.22Å; P376-I379 WeakPolarHBondContact O-CG2 3.44Å; P376-I379 PolarHBondContact O-N 3.4Å | ||
| 377 | S | 90.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 40% | 0.399 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -55.3 | -25 | 175.3 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | L375 I379 G380 E401 | L375-S377 PolarHBondContact O-N 2.79Å; S377-I379 PolarHBondContact O-N 2.84Å; S377-I379 VanDerWaalsContact O-N 3.1Å; S377-G380 PolarHBondContact O-N 3.26Å; S377-E401 WeakPolarHBondContact CB-OE2 3.37Å; S377-E401 WeakPolarHBondContact O-CB 3.42Å; S377-E401 WeakPolarHBondContact O-CG 3.48Å |
| 378 | T | 93.2 | Very high | 93.2 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -63.4 | -10.7 | 172.3 | 61.4 | 0 | 0 | 0 | 0 | 114 | S354 G357 P376 G380 S381 | S354-T378 WeakPolarHBondContact CA-OG1 3.36Å; S354-T378 WeakPolarHBondContact O-CB 3.42Å; S354-T378 PolarHBondContact O-OG1 2.76Å; G357-T378 WeakPolarHBondContact CA-O 3.32Å; P376-T378 PolarHBondContact O-N 2.75Å; T378-G380 PolarHBondContact O-N 2.86Å; T378-S381 WeakPolarHBondContact O-CB 3.36Å; T378-S381 PolarHBondContact O-N 3.16Å |
| 379 | I | 93.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -55.8 | -37.2 | 173.9 | -167.8 | 59.9 | 0 | 0 | 0 | 111.9 | L356 L365 P376 S377 S381 C382 L385 P399 V402 | L356-I379 HydrophobicContact CD2-CD1 4.2Å; L365-I379 HydrophobicContact CD2-CD1 3.87Å; P376-I379 WeakPolarHBondContact O-CB 3.25Å; P376-I379 VanDerWaalsContact O-CG2 3.22Å; P376-I379 WeakPolarHBondContact O-CG2 3.44Å; P376-I379 PolarHBondContact O-N 3.4Å; S377-I379 PolarHBondContact O-N 2.84Å; S377-I379 VanDerWaalsContact O-N 3.1Å; I379-S381 PolarHBondContact O-N 3.45Å; I379-C382 WeakPolarHBondContact O-CB 3.05Å; I379-C382 PolarHBondContact O-N 2.75Å; I379-L385 HydrophobicContact CD1-CD2 4.12Å; I379-P399 HydrophobicContact CG2-CG 4.08Å; I379-V402 HydrophobicContact CG2-CG2 4.03Å |
| 380 | G | 89.7 | Confident | 93 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -64.8 | -5.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | S377 T378 E401 | S377-G380 PolarHBondContact O-N 3.26Å; T378-G380 PolarHBondContact O-N 2.86Å; G380-E401 WeakPolarHBondContact CA-O 3.36Å |
| 381 | S | 93.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 38 Ų | 38 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -80.1 | -15.7 | 170.1 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | G357 K360 T378 I379 S383 | G357-S381 WeakPolarHBondContact O-CB 3.36Å; K360-S381 WeakPolarHBondContact CD-O 3.49Å; K360-S381 WeakPolarHBondContact CE-O 3.21Å; K360-S381 PolarHBondContact NZ-O 2.8Å; T378-S381 WeakPolarHBondContact O-CB 3.36Å; T378-S381 PolarHBondContact O-N 3.16Å; I379-S381 PolarHBondContact O-N 3.45Å; S381-S383 PolarHBondContact O-N 3.23Å |
| 382 | C | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -78.4 | 66.8 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L356 I379 K384 L385 L405 | L356-C382 PolarHBondContact O-SG 3.33Å; L356-C382 VanDerWaalsContact O-SG 3.41Å; I379-C382 WeakPolarHBondContact O-CB 3.05Å; I379-C382 PolarHBondContact O-N 2.75Å; C382-K384 PolarHBondContact O-N 2.88Å; C382-L385 HydrophobicContact CB-CB 4.05Å; C382-L385 HydrophobicContact CB-CD2 4.28Å; C382-L385 WeakPolarHBondContact O-CB 3.43Å; C382-L385 PolarHBondContact O-N 2.83Å; C382-L405 HydrophobicContact CB-CD2 4.38Å; C382-L405 VanDerWaalsContact O-CD2 3.27Å; C382-L405 WeakPolarHBondContact O-CD2 3.39Å | ||
| 383 | S | 89.5 | Confident | 92.3 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -16.8 | -166.6 | 54.4 | 0 | 0 | 0 | 0 | 116.8 | S381 Q407 | S381-S383 PolarHBondContact O-N 3.23Å; S383-Q407 VanDerWaalsContact O-CG 3.31Å; S383-Q407 WeakPolarHBondContact O-CG 3.37Å |
| 384 | K | 93.9 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.8 | 175.9 | -61.6 | -168.8 | -171.2 | 172.7 | 0 | 114.9 | N361 L362 T363 C382 G386 S995 A996 | N361-K384 PolarHBondContact OD1-NZ 2.91Å; L362-K384 CarbonylContact O-C 3.48Å; L362-K384 VanDerWaalsContact O-C 3.28Å; T363-K384 WeakPolarHBondContact CA-O 3.14Å; T363-K384 HydrophobicContact CG2-CB 4.27Å; C382-K384 PolarHBondContact O-N 2.88Å; K384-G386 PolarHBondContact O-N 2.83Å; K384-S995 WeakPolarHBondContact CE-OG 3.29Å; K384-A996 HydrophobicContact CB-CB 3.82Å; K384-A996 HydrophobicContact CD-CB 4.32Å; K384-A996 HydrophobicContact CG-CB 3.85Å |
| 385 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -71 | 96.7 | -171.9 | -174.5 | 59.3 | 0 | 0 | 0 | 111.3 | L362 L365 I379 C382 V387 L388 L405 L408 | L362-L385 HydrophobicContact CD2-CD1 4.33Å; L362-L385 HydrophobicContact CG-CD1 4.21Å; L362-L385 WeakPolarHBondContact O-CA 3.35Å; L362-L385 PolarHBondContact O-N 3.17Å; L362-L385 VanDerWaalsContact O-N 3.14Å; L365-L385 HydrophobicContact CB-CD1 3.8Å; L365-L385 HydrophobicContact CB-CD2 4.48Å; I379-L385 HydrophobicContact CD1-CD2 4.12Å; C382-L385 HydrophobicContact CB-CB 4.05Å; C382-L385 HydrophobicContact CB-CD2 4.28Å; C382-L385 WeakPolarHBondContact O-CB 3.43Å; C382-L385 PolarHBondContact O-N 2.83Å; L385-V387 WeakPolarHBondContact CD1-O 3.34Å; L385-L388 HydrophobicContact CD2-CB 4.28Å; L385-L388 HydrophobicContact CD2-CD1 4.38Å; L385-L388 HydrophobicContact CD2-CD2 4.3Å; L385-L388 HydrophobicContact CG-CB 4.5Å; L385-L405 HydrophobicContact CB-CD2 4.27Å; L385-L405 HydrophobicContact CD2-CD1 4.08Å; L385-L408 VanDerWaalsContact O-CA 3.27Å; L385-L408 WeakPolarHBondContact O-CA 3.36Å; L385-L408 WeakPolarHBondContact O-CB 3.09Å; L385-L408 VanDerWaalsContact O-CD1 3.3Å; L385-L408 WeakPolarHBondContact O-CD1 3.4Å | ||
| 386 | G | 91.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | trans | -85 | -27.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T363 K384 Q407 C409 V410 | T363-G386 PolarHBondContact O-N 2.75Å; K384-G386 PolarHBondContact O-N 2.83Å; G386-Q407 WeakPolarHBondContact CA-O 3.09Å; G386-C409 PolarHBondContact O-N 3.03Å; G386-V410 PolarHBondContact O-N 2.81Å | ||
| 387 | V | 93.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 30.4 Ų | 30.4 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 116.7 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | T363 I364 L365 L385 V410 | T363-V387 PolarHBondContact O-N 2.85Å; I364-V387 HydrophobicContact CG1-CB 4.22Å; I364-V387 HydrophobicContact CG1-CG2 4.33Å; I364-V387 HydrophobicContact CG2-CB 4.34Å; I364-V387 HydrophobicContact CG2-CG1 4.48Å; L365-V387 PolarHBondContact N-O 3.01Å; L385-V387 WeakPolarHBondContact CD1-O 3.34Å; V387-V410 WeakPolarHBondContact CA-O 3.46Å; V387-V410 HydrophobicContact CB-CB 4.45Å; V387-V410 HydrophobicContact CG1-CB 4.2Å; V387-V410 HydrophobicContact CG1-CG1 4.27Å; V387-V410 HydrophobicContact CG2-CB 4.2Å; V387-V410 HydrophobicContact CG2-CG2 4.37Å |
| 388 | L | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 103.6 | 173 | 179.9 | 51.1 | 0 | 0 | 0 | 109.7 | L365 L385 L390 L405 L408 V410 L411 D412 | L365-L388 HydrophobicContact CB-CD1 4.13Å; L365-L388 HydrophobicContact CD2-CD1 3.85Å; L365-L388 HydrophobicContact CG-CD1 4.04Å; L365-L388 WeakPolarHBondContact O-CA 3.48Å; L385-L388 HydrophobicContact CD2-CB 4.28Å; L385-L388 HydrophobicContact CD2-CD1 4.38Å; L385-L388 HydrophobicContact CD2-CD2 4.3Å; L385-L388 HydrophobicContact CG-CB 4.5Å; L388-L390 HydrophobicContact CD1-CD1 4.15Å; L388-L390 HydrophobicContact CD1-CD2 3.91Å; L388-L390 HydrophobicContact CD1-CG 3.9Å; L388-L390 HydrophobicContact CD2-CD1 4.08Å; L388-L390 HydrophobicContact CG-CD1 3.82Å; L388-L390 HydrophobicContact CG-CD2 4.49Å; L388-L390 HydrophobicContact CG-CG 3.98Å; L388-L405 HydrophobicContact CD2-CD1 4.38Å; L388-L408 HydrophobicContact CB-CD1 3.69Å; L388-V410 PolarHBondContact N-O 2.84Å; L388-L411 HydrophobicContact CB-CD1 4.09Å; L388-L411 HydrophobicContact CD2-CD1 4Å; L388-L411 HydrophobicContact CG-CD1 3.94Å; L388-L411 WeakPolarHBondContact O-CA 3.31Å; L388-D412 PolarHBondContact O-N 2.86Å |
| 389 | S | 93.7 | Very high | 90.7 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 8% | 0.077 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.4 | 179 | -158.2 | 0 | 0 | 0 | 0 | 110.4 | L365 N366 V367 D368 | L365-S389 PolarHBondContact O-N 2.81Å; N366-S389 WeakPolarHBondContact ND2-CB 3.17Å; N366-S389 PolarHBondContact ND2-OG 3.12Å; V367-S389 PolarHBondContact N-O 3.18Å; D368-S389 VanDerWaalsContact CG-OG 3.25Å; D368-S389 VanDerWaalsContact OD1-CB 3.27Å; D368-S389 WeakPolarHBondContact OD1-CB 3.34Å; D368-S389 PolarHBondContact OD1-OG 3.01Å; D368-S389 PolarHBondContact OD2-OG 3.08Å |
| 390 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -130.7 | 17.8 | -171.8 | -61.5 | 165.8 | 0 | 0 | 0 | 111.2 | D368 L372 L375 L388 N393 L395 L398 L411 D412 V413 N416 | D368-L390 PolarHBondContact OD1-N 2.82Å; L372-L390 HydrophobicContact CD1-CD2 4.23Å; L375-L390 HydrophobicContact CD1-CD1 3.72Å; L375-L390 HydrophobicContact CD1-CD2 4.4Å; L375-L390 HydrophobicContact CD2-CD2 3.95Å; L388-L390 HydrophobicContact CD1-CD1 4.15Å; L388-L390 HydrophobicContact CD1-CD2 3.91Å; L388-L390 HydrophobicContact CD1-CG 3.9Å; L388-L390 HydrophobicContact CD2-CD1 4.08Å; L388-L390 HydrophobicContact CG-CD1 3.82Å; L388-L390 HydrophobicContact CG-CD2 4.49Å; L388-L390 HydrophobicContact CG-CG 3.98Å; L390-N393 PolarHBondContact O-ND2 3.24Å; L390-L395 HydrophobicContact CB-CD1 4.18Å; L390-L395 HydrophobicContact CD1-CD1 4.05Å; L390-L398 HydrophobicContact CD1-CD2 4.37Å; L390-L411 HydrophobicContact CD1-CD1 4.15Å; L390-D412 CarbonylContact C-O 3.59Å; L390-D412 WeakPolarHBondContact CA-O 3.24Å; L390-D412 WeakPolarHBondContact CB-O 3.44Å; L390-D412 PolarHBondContact N-O 3.3Å; L390-V413 HydrophobicContact CB-CG1 4.37Å; L390-V413 HydrophobicContact CD1-CG1 4.03Å; L390-N416 PolarHBondContact O-ND2 3.27Å | ||
| 391 | R | 89.1 | Confident | 90.1 | Very high | 114 Ų | 114 | 30.3 Ų | 30.3 | 43% | 0.43 | 17% | 0.172 | S | C | . | . | trans | -58.7 | 137.8 | -170.8 | -167.9 | -171.8 | -66.3 | 162.5 | -1.5 | 110.9 | D368 K369 D412 C414 | D368-R391 CarbonylContact C-O 3.22Å; D368-R391 WeakPolarHBondContact CA-O 3.12Å; D368-R391 HydrophobicContact CB-CB 4.22Å; D368-R391 VanDerWaalsContact OD1-CB 3.29Å; D368-R391 WeakPolarHBondContact OD1-CB 3.37Å; D368-R391 PolarHBondContact OD1-N 2.85Å; K369-R391 PolarHBondContact N-O 3.29Å; R391-D412 IonicContact CZ-OD2 2.77Å; R391-D412 PolarHBondContact N-O 3.13Å; R391-D412 IonicContact NE-OD1 2.7Å; R391-D412 IonicContact NE-OD2 3.55Å; R391-D412 PolarHBondContact NE-OD2 2.87Å; R391-D412 IonicContact NH2-OD2 3.3Å; R391-D412 PolarHBondContact NH2-OD2 3.24Å; R391-C414 CarbonylContact C-O 3.56Å; R391-C414 VanDerWaalsContact CA-O 3.28Å; R391-C414 WeakPolarHBondContact CA-O 3.41Å; R391-C414 HydrophobicContact CG-CB 4.18Å; R391-C414 VanDerWaalsContact CG-O 3.27Å; R391-C414 WeakPolarHBondContact CG-O 3.32Å | ||
| 392 | T | 90.4 | Very high | 89.8 | Confident | 69 Ų | 69 | 28.1 Ų | 28.1 | 42% | 0.423 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 57.5 | 54.4 | 178.1 | -41.4 | 0 | 0 | 0 | 0 | 113.1 | K369 C414 G415 | K369-T392 VanDerWaalsContact CA-O 3.28Å; K369-T392 WeakPolarHBondContact CA-O 3.44Å; K369-T392 HydrophobicContact CG-CG2 4.34Å; T392-C414 PolarHBondContact N-O 2.97Å; T392-G415 WeakPolarHBondContact CA-O 3.44Å |
| 393 | N | 91.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | trans | -112.4 | -167.3 | 168.7 | -85.9 | -80.9 | 0 | 0 | 0 | 110.6 | V367 N370 R371 L372 L390 L395 N416 | V367-N393 PolarHBondContact O-ND2 2.84Å; N370-N393 VanDerWaalsContact CA-OD1 3.31Å; N370-N393 WeakPolarHBondContact CA-OD1 3.32Å; N370-N393 WeakPolarHBondContact CB-OD1 3.38Å; N370-N393 PolarHBondContact N-OD1 2.82Å; N370-N393 PolarHBondContact O-OD1 3.45Å; R371-N393 PolarHBondContact N-OD1 3.24Å; L372-N393 HydrophobicContact CB-CB 4.19Å; L372-N393 WeakPolarHBondContact CB-OD1 3.41Å; L372-N393 WeakPolarHBondContact CG-OD1 3.43Å; L372-N393 PolarHBondContact N-OD1 2.9Å; L390-N393 PolarHBondContact O-ND2 3.24Å; N393-L395 HydrophobicContact CB-CG 4.29Å; N393-N416 VanDerWaalsContact CA-OD1 3.29Å; N393-N416 WeakPolarHBondContact CA-OD1 3.37Å; N393-N416 WeakPolarHBondContact CB-OD1 3.35Å; N393-N416 PolarHBondContact N-OD1 2.99Å; N393-N416 PolarHBondContact O-OD1 3.1Å | ||
| 394 | A | 89.8 | Confident | 89.1 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | trans | -107.7 | 15 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L372 V373 S396 N416 R417 | L372-A394 CarbonylContact O-C 3.5Å; L372-A394 WeakPolarHBondContact O-CA 3.32Å; L372-A394 WeakPolarHBondContact O-CB 3.15Å; L372-A394 PolarHBondContact O-N 3.13Å; V373-A394 HydrophobicContact CG2-CB 4.38Å; A394-S396 PolarHBondContact O-N 2.93Å; A394-N416 PolarHBondContact N-OD1 3.12Å; A394-R417 WeakPolarHBondContact O-CD 3.34Å | ||
| 395 | L | 87.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -62.7 | 133.9 | -173.7 | -57.5 | 172.2 | 0 | 0 | 0 | 111.3 | L372 L375 L390 N393 L398 N416 R417 | L372-L395 HydrophobicContact CB-CD2 3.97Å; L372-L395 HydrophobicContact CB-CG 4.49Å; L372-L395 PolarHBondContact O-N 2.89Å; L375-L395 HydrophobicContact CD1-CD1 4.43Å; L375-L395 HydrophobicContact CD2-CD2 4.38Å; L375-L395 HydrophobicContact CG-CD1 4.36Å; L375-L395 HydrophobicContact CG-CD2 4.1Å; L390-L395 HydrophobicContact CB-CD1 4.18Å; L390-L395 HydrophobicContact CD1-CD1 4.05Å; N393-L395 HydrophobicContact CB-CG 4.29Å; L395-L398 HydrophobicContact CD1-CD2 4.25Å; L395-N416 HydrophobicContact CB-CB 4.28Å; L395-N416 VanDerWaalsContact CB-OD1 3.26Å; L395-N416 WeakPolarHBondContact CB-OD1 3.2Å; L395-N416 WeakPolarHBondContact CG-OD1 3.39Å; L395-N416 PolarHBondContact N-OD1 2.77Å; L395-R417 PolarHBondContact O-N 2.93Å; L395-R417 VanDerWaalsContact O-N 3.09Å | ||
| 396 | S | 81.3 | Confident | 88.4 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -98.4 | -33.9 | 169.7 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | A394 | A394-S396 PolarHBondContact O-N 2.93Š|
| 397 | T | 83.3 | Confident | 88.2 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | trans | -138.2 | 169 | -176.6 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | T439 | T397-T439 HydrophobicContact CG2-CG2 3.88Š| ||
| 398 | L | 86.4 | Confident | 88 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.2 | 165.3 | -62.7 | 174.2 | 0 | 0 | 0 | 108.9 | L375 L390 L395 V402 L411 V413 L425 L438 | L375-L398 HydrophobicContact CD1-CD2 3.82Å; L390-L398 HydrophobicContact CD1-CD2 4.37Å; L395-L398 HydrophobicContact CD1-CD2 4.25Å; L398-V402 HydrophobicContact CB-CG2 4.29Å; L398-L411 HydrophobicContact CD1-CD2 4.19Å; L398-V413 HydrophobicContact CD1-CG1 4.4Å; L398-V413 HydrophobicContact CD2-CG1 4.36Å; L398-L425 HydrophobicContact CD1-CD1 4.42Å; L398-L438 HydrophobicContact CB-CB 4.36Å; L398-L438 PolarHBondContact N-O 2.98Å; L398-L438 PolarHBondContact O-N 2.98Å |
| 399 | P | 88.1 | Confident | 87.5 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.078 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145.2 | 173.2 | 28.6 | -33.2 | 0 | 0 | 0 | 110.1 | L375 I379 E401 V402 | L375-P399 HydrophobicContact CB-CG 4.03Å; I379-P399 HydrophobicContact CG2-CG 4.08Å; P399-E401 PolarHBondContact O-N 3.17Å; P399-E401 VanDerWaalsContact O-N 3.11Å; P399-V402 HydrophobicContact CG-CG2 4.09Å; P399-V402 WeakPolarHBondContact O-CG2 3.46Å; P399-V402 PolarHBondContact O-N 2.86Å |
| 400 | F | 81.7 | Confident | 87.1 | Confident | 53 Ų | 53 | 46.2 Ų | 46.2 | 23% | 0.232 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -57.1 | -29.4 | -177.1 | 179.2 | -98.7 | 0 | 0 | 0 | 113 | V402 G403 A427 K436 L438 T486 | F400-V402 PolarHBondContact O-N 3.41Å; F400-V402 VanDerWaalsContact O-N 3.1Å; F400-G403 PolarHBondContact O-N 3.33Å; F400-A427 HydrophobicContact CD2-CB 4.18Å; F400-A427 HydrophobicContact CE2-CB 3.98Å; F400-K436 HydrophobicContact CB-CB 3.86Å; F400-K436 WeakPolarHBondContact CB-O 3.42Å; F400-K436 HydrophobicContact CG-CB 4.12Å; F400-K436 PolarHBondContact N-O 3.06Å; F400-L438 HydrophobicContact CD2-CD2 4.15Å; F400-L438 HydrophobicContact CD2-CG 4.43Å; F400-T486 HydrophobicContact CZ-CG2 4.24Å |
| 401 | E | 89.5 | Confident | 87 | Confident | 44 Ų | 44 | 49 Ų | 49 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -62.3 | -12.7 | 176.1 | -66.7 | 77.9 | -169.8 | 0 | 0 | 114.9 | S377 G380 P399 G403 K404 | S377-E401 WeakPolarHBondContact CB-OE2 3.37Å; S377-E401 WeakPolarHBondContact O-CB 3.42Å; S377-E401 WeakPolarHBondContact O-CG 3.48Å; G380-E401 WeakPolarHBondContact CA-O 3.36Å; P399-E401 PolarHBondContact O-N 3.17Å; P399-E401 VanDerWaalsContact O-N 3.11Å; E401-G403 PolarHBondContact O-N 2.75Å; E401-K404 HydrophobicContact CB-CD 4.32Å; E401-K404 HydrophobicContact CG-CD 4.18Å; E401-K404 WeakPolarHBondContact O-CB 3.5Å; E401-K404 PolarHBondContact O-N 3.32Å |
| 402 | V | 87 | Confident | 86.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.6 | -30.3 | 167.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | I379 L398 P399 F400 K404 L405 L408 L411 F489 | I379-V402 HydrophobicContact CG2-CG2 4.03Å; L398-V402 HydrophobicContact CB-CG2 4.29Å; P399-V402 HydrophobicContact CG-CG2 4.09Å; P399-V402 WeakPolarHBondContact O-CG2 3.46Å; P399-V402 PolarHBondContact O-N 2.86Å; F400-V402 PolarHBondContact O-N 3.41Å; F400-V402 VanDerWaalsContact O-N 3.1Å; V402-K404 PolarHBondContact O-N 2.67Å; V402-L405 HydrophobicContact CG1-CD1 4.47Å; V402-L405 WeakPolarHBondContact O-CB 3.25Å; V402-L405 PolarHBondContact O-N 3.2Å; V402-L405 VanDerWaalsContact O-N 3.15Å; V402-L408 HydrophobicContact CG1-CD2 4.33Å; V402-L411 HydrophobicContact CG1-CD2 4.4Å; V402-F489 HydrophobicContact CG1-CZ 4.35Å |
| 403 | G | 82.1 | Confident | 86.7 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -67.6 | -6.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F400 E401 | F400-G403 PolarHBondContact O-N 3.33Å; E401-G403 PolarHBondContact O-N 2.75Å |
| 404 | K | 87 | Confident | 86.2 | Confident | 121 Ų | 121 | 45.8 Ų | 45.8 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -87.6 | -7 | 172.8 | -60 | -179.8 | 177.7 | 176.9 | 0 | 112.6 | E401 V402 Q406 | E401-K404 HydrophobicContact CB-CD 4.32Å; E401-K404 HydrophobicContact CG-CD 4.18Å; E401-K404 WeakPolarHBondContact O-CB 3.5Å; E401-K404 PolarHBondContact O-N 3.32Å; V402-K404 PolarHBondContact O-N 2.67Å; K404-Q406 VanDerWaalsContact C-N 3.27Å; K404-Q406 PolarHBondContact O-N 3.13Å |
| 405 | L | 88.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | trans | -82.4 | 68.4 | 178.1 | -59 | 177.8 | 0 | 0 | 0 | 111 | C382 L385 L388 V402 Q407 L408 | C382-L405 HydrophobicContact CB-CD2 4.38Å; C382-L405 VanDerWaalsContact O-CD2 3.27Å; C382-L405 WeakPolarHBondContact O-CD2 3.39Å; L385-L405 HydrophobicContact CB-CD2 4.27Å; L385-L405 HydrophobicContact CD2-CD1 4.08Å; L388-L405 HydrophobicContact CD2-CD1 4.38Å; V402-L405 HydrophobicContact CG1-CD1 4.47Å; V402-L405 WeakPolarHBondContact O-CB 3.25Å; V402-L405 PolarHBondContact O-N 3.2Å; V402-L405 VanDerWaalsContact O-N 3.15Å; L405-Q407 PolarHBondContact O-N 3.26Å; L405-L408 HydrophobicContact CB-CB 3.86Å; L405-L408 HydrophobicContact CB-CD2 4.22Å; L405-L408 HydrophobicContact CD1-CD2 4.05Å; L405-L408 WeakPolarHBondContact O-CB 3.16Å; L405-L408 PolarHBondContact O-N 3.06Å | ||
| 406 | Q | 85.6 | Confident | 85.4 | Confident | 170 Ų | 170 | 48.1 Ų | 48.1 | 79% | 0.794 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.8 | -174.8 | -68.3 | 177.4 | -18.6 | 0 | 0 | 114.8 | K404 | K404-Q406 VanDerWaalsContact C-N 3.27Å; K404-Q406 PolarHBondContact O-N 3.13Å |
| 407 | Q | 87.7 | Confident | 84.7 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.4 | -176.7 | -51.6 | -72.9 | 15.2 | 0 | 0 | 112.9 | S383 G386 L405 C409 I948 A996 | S383-Q407 VanDerWaalsContact O-CG 3.31Å; S383-Q407 WeakPolarHBondContact O-CG 3.37Å; G386-Q407 WeakPolarHBondContact CA-O 3.09Å; L405-Q407 PolarHBondContact O-N 3.26Å; Q407-C409 PolarHBondContact O-N 3.21Å; Q407-C409 VanDerWaalsContact O-N 3.08Å; Q407-I948 WeakPolarHBondContact O-CD1 3.39Å; Q407-A996 HydrophobicContact CB-CB 4.05Å; Q407-A996 VanDerWaalsContact CD-C 3.49Å; Q407-A996 HydrophobicContact CG-CB 3.83Å; Q407-A996 PolarHBondContact OE1-O 2.78Å; Q407-A996 VanDerWaalsContact OE1-O 3.07Å |
| 408 | L | 89.4 | Confident | 83.4 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | trans | -75.8 | 92.6 | -173.9 | -175.8 | 65.7 | 0 | 0 | 0 | 112.6 | L385 L388 V402 L405 V410 L411 | L385-L408 VanDerWaalsContact O-CA 3.27Å; L385-L408 WeakPolarHBondContact O-CA 3.36Å; L385-L408 WeakPolarHBondContact O-CB 3.09Å; L385-L408 VanDerWaalsContact O-CD1 3.3Å; L385-L408 WeakPolarHBondContact O-CD1 3.4Å; L388-L408 HydrophobicContact CB-CD1 3.69Å; V402-L408 HydrophobicContact CG1-CD2 4.33Å; L405-L408 HydrophobicContact CB-CB 3.86Å; L405-L408 HydrophobicContact CB-CD2 4.22Å; L405-L408 HydrophobicContact CD1-CD2 4.05Å; L405-L408 WeakPolarHBondContact O-CB 3.16Å; L405-L408 PolarHBondContact O-N 3.06Å; L408-V410 WeakPolarHBondContact CD1-O 3.25Å; L408-L411 HydrophobicContact CD2-CB 4.14Å; L408-L411 HydrophobicContact CD2-CD1 4.5Å; L408-L411 HydrophobicContact CD2-CD2 4.4Å; L408-L411 HydrophobicContact CG-CB 4.48Å | ||
| 409 | C | 84.9 | Confident | 81.4 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | trans | -81.3 | -25 | 176.7 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | G386 Q407 I948 | G386-C409 PolarHBondContact O-N 3.03Å; Q407-C409 PolarHBondContact O-N 3.21Å; Q407-C409 VanDerWaalsContact O-N 3.08Å; C409-I948 VanDerWaalsContact SG-CD1 3.52Å | ||
| 410 | V | 85.8 | Confident | 79.4 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 114.4 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | G386 V387 L388 L408 | G386-V410 PolarHBondContact O-N 2.81Å; V387-V410 WeakPolarHBondContact CA-O 3.46Å; V387-V410 HydrophobicContact CB-CB 4.45Å; V387-V410 HydrophobicContact CG1-CB 4.2Å; V387-V410 HydrophobicContact CG1-CG1 4.27Å; V387-V410 HydrophobicContact CG2-CB 4.2Å; V387-V410 HydrophobicContact CG2-CG2 4.37Å; L388-V410 PolarHBondContact N-O 2.84Å; L408-V410 WeakPolarHBondContact CD1-O 3.25Å |
| 411 | L | 91.1 | Very high | 77.5 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.1 | 171.6 | 176.9 | 59.2 | 0 | 0 | 0 | 109.6 | L388 L390 L398 V402 L408 V413 | L388-L411 HydrophobicContact CB-CD1 4.09Å; L388-L411 HydrophobicContact CD2-CD1 4Å; L388-L411 HydrophobicContact CG-CD1 3.94Å; L388-L411 WeakPolarHBondContact O-CA 3.31Å; L390-L411 HydrophobicContact CD1-CD1 4.15Å; L398-L411 HydrophobicContact CD1-CD2 4.19Å; V402-L411 HydrophobicContact CG1-CD2 4.4Å; L408-L411 HydrophobicContact CD2-CB 4.14Å; L408-L411 HydrophobicContact CD2-CD1 4.5Å; L408-L411 HydrophobicContact CD2-CD2 4.4Å; L408-L411 HydrophobicContact CG-CB 4.48Å; L411-V413 HydrophobicContact CD1-CG1 4.01Å; L411-V413 HydrophobicContact CG-CG1 4.25Å |
| 412 | D | 85.5 | Confident | 75.3 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 16% | 0.16 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.2 | 175.2 | -170.9 | -19.9 | 0 | 0 | 0 | 110.8 | L388 L390 R391 C414 | L388-D412 PolarHBondContact O-N 2.86Å; L390-D412 CarbonylContact C-O 3.59Å; L390-D412 WeakPolarHBondContact CA-O 3.24Å; L390-D412 WeakPolarHBondContact CB-O 3.44Å; L390-D412 PolarHBondContact N-O 3.3Å; R391-D412 IonicContact CZ-OD2 2.77Å; R391-D412 PolarHBondContact N-O 3.13Å; R391-D412 IonicContact NE-OD1 2.7Å; R391-D412 IonicContact NE-OD2 3.55Å; R391-D412 PolarHBondContact NE-OD2 2.87Å; R391-D412 IonicContact NH2-OD2 3.3Å; R391-D412 PolarHBondContact NH2-OD2 3.24Å; D412-C414 WeakPolarHBondContact OD1-CB 3.41Å; D412-C414 PolarHBondContact OD1-N 2.65Å |
| 413 | V | 87 | Confident | 73.4 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.085 | 40% | 0.399 | C | S | . | . | trans | -114.6 | 14.2 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | L390 L398 L411 N416 M422 | L390-V413 HydrophobicContact CB-CG1 4.37Å; L390-V413 HydrophobicContact CD1-CG1 4.03Å; L398-V413 HydrophobicContact CD1-CG1 4.4Å; L398-V413 HydrophobicContact CD2-CG1 4.36Å; L411-V413 HydrophobicContact CD1-CG1 4.01Å; L411-V413 HydrophobicContact CG-CG1 4.25Å; V413-N416 WeakPolarHBondContact O-CB 3.14Å; V413-N416 PolarHBondContact O-N 2.92Å; V413-N416 PolarHBondContact O-ND2 3.05Å; V413-M422 HydrophobicContact CG2-CE 4.25Å; V413-M422 HydrophobicContact CG2-SD 3.52Å; V413-M422 VanDerWaalsContact CG2-SD 3.52Å | ||
| 414 | C | 80.8 | Confident | 71.8 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 137.5 | -174.4 | -179 | 0 | 0 | 0 | 0 | 112.3 | R391 T392 D412 N416 | R391-C414 CarbonylContact C-O 3.56Å; R391-C414 VanDerWaalsContact CA-O 3.28Å; R391-C414 WeakPolarHBondContact CA-O 3.41Å; R391-C414 HydrophobicContact CG-CB 4.18Å; R391-C414 VanDerWaalsContact CG-O 3.27Å; R391-C414 WeakPolarHBondContact CG-O 3.32Å; T392-C414 PolarHBondContact N-O 2.97Å; D412-C414 WeakPolarHBondContact OD1-CB 3.41Å; D412-C414 PolarHBondContact OD1-N 2.65Å; C414-N416 VanDerWaalsContact C-N 3.34Å; C414-N416 PolarHBondContact O-N 2.84Å |
| 415 | G | 79.3 | Confident | 70.3 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 54% | 0.536 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 19.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T392 | T392-G415 WeakPolarHBondContact CA-O 3.44Š|
| 416 | N | 82.1 | Confident | 68.5 | Low | 16 Ų | 16 | 80.8 Ų | 80.8 | 9% | 0.086 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -76.9 | -176.6 | 164.3 | -84.1 | -81.2 | 0 | 0 | 0 | 111.8 | L390 N393 A394 L395 V413 C414 Q418 | L390-N416 PolarHBondContact O-ND2 3.27Å; N393-N416 VanDerWaalsContact CA-OD1 3.29Å; N393-N416 WeakPolarHBondContact CA-OD1 3.37Å; N393-N416 WeakPolarHBondContact CB-OD1 3.35Å; N393-N416 PolarHBondContact N-OD1 2.99Å; N393-N416 PolarHBondContact O-OD1 3.1Å; A394-N416 PolarHBondContact N-OD1 3.12Å; L395-N416 HydrophobicContact CB-CB 4.28Å; L395-N416 VanDerWaalsContact CB-OD1 3.26Å; L395-N416 WeakPolarHBondContact CB-OD1 3.2Å; L395-N416 WeakPolarHBondContact CG-OD1 3.39Å; L395-N416 PolarHBondContact N-OD1 2.77Å; V413-N416 WeakPolarHBondContact O-CB 3.14Å; V413-N416 PolarHBondContact O-N 2.92Å; V413-N416 PolarHBondContact O-ND2 3.05Å; C414-N416 VanDerWaalsContact C-N 3.34Å; C414-N416 PolarHBondContact O-N 2.84Å; N416-Q418 PolarHBondContact O-N 2.89Å |
| 417 | R | 66.5 | Low | 67.4 | Low | 196 Ų | 196 | 75.6 Ų | 75.6 | 74% | 0.74 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -76.6 | 31.5 | 177.7 | -70.1 | -175.3 | 173.1 | -166.8 | -2.4 | 113.7 | A394 L395 | A394-R417 WeakPolarHBondContact O-CD 3.34Å; L395-R417 PolarHBondContact O-N 2.93Å; L395-R417 VanDerWaalsContact O-N 3.09Å |
| 418 | Q | 54.4 | Low | 66.4 | Low | 53 Ų | 53 | 77 Ų | 77 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | trans | -92 | 120.7 | 172.3 | -66 | -179.3 | -12.2 | 0 | 0 | 108.2 | N416 Q420 | N416-Q418 PolarHBondContact O-N 2.89Å; Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 3.48Å | ||
| 419 | S | 45.3 | Very low | 65.5 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 83% | 0.832 | 45% | 0.449 | S | S | * | . | trans | -78.6 | -6.6 | -166.6 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 420 | Q | 45 | Very low | 64.4 | Low | 93 Ų | 93 | 79.2 Ų | 79.2 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -146.5 | 156.8 | -176.3 | -66 | -167.4 | 20 | 0 | 0 | 111.6 | Q418 M422 | Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 3.48Å; Q420-M422 PolarHBondContact O-N 2.91Å |
| 421 | P | 43.3 | Very low | 63.3 | Low | 121 Ų | 121 | 81.3 Ų | 81.3 | 79% | 0.786 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -57 | 126.5 | 166.4 | 25.9 | -34.7 | 0 | 0 | 0 | 109.7 | L423 | P421-L423 PolarHBondContact O-N 2.87Š|
| 422 | M | 43.6 | Very low | 62 | Low | 45 Ų | 45 | 86.7 Ų | 86.7 | 22% | 0.222 | 47% | 0.466 | C | S | . | . | trans | -58.4 | 132 | -162.2 | -59.5 | 179.2 | 80.3 | 0 | 0 | 113.8 | V413 Q420 L425 R491 | V413-M422 HydrophobicContact CG2-CE 4.25Å; V413-M422 HydrophobicContact CG2-SD 3.52Å; V413-M422 VanDerWaalsContact CG2-SD 3.52Å; Q420-M422 PolarHBondContact O-N 2.91Å; M422-L425 HydrophobicContact CE-CD1 4.45Å; M422-L425 HydrophobicContact CE-CD2 3.48Å; M422-L425 VanDerWaalsContact CE-CD2 3.48Å; M422-L425 HydrophobicContact CE-CG 3.98Å; M422-R491 VanDerWaalsContact CB-NH2 3.29Å; M422-R491 VanDerWaalsContact O-CZ 3.28Å; M422-R491 PolarHBondContact O-NH1 3.01Å; M422-R491 PolarHBondContact O-NH2 2.75Å | ||
| 423 | L | 45.6 | Very low | 61 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 45% | 0.45 | 48% | 0.477 | S | S | . | . | trans | -76.4 | -174.8 | 156.7 | -110.2 | 66.7 | 0 | 0 | 0 | 110.7 | P421 L425 L442 R491 | P421-L423 PolarHBondContact O-N 2.87Å; L423-L425 PolarHBondContact O-N 3.42Å; L423-L442 HydrophobicContact CD2-CD1 4.28Å; L423-R491 PolarHBondContact O-NH2 3.1Å | ||
| 424 | K | 48.7 | Very low | 59.9 | Low | 174 Ų | 174 | 89.7 Ų | 89.7 | 76% | 0.757 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 135.2 | 174.3 | -68.8 | -179.6 | 179.8 | 175.4 | 0 | 109.6 | Q426 | K424-Q426 PolarHBondContact O-N 3.05Š|
| 425 | L | 55.6 | Low | 59.3 | Low | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.272 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 122.3 | 171.3 | -76 | 175.3 | 0 | 0 | 0 | 108.7 | L398 M422 L423 L438 | L398-L425 HydrophobicContact CD1-CD1 4.42Å; M422-L425 HydrophobicContact CE-CD1 4.45Å; M422-L425 HydrophobicContact CE-CD2 3.48Å; M422-L425 VanDerWaalsContact CE-CD2 3.48Å; M422-L425 HydrophobicContact CE-CG 3.98Å; L423-L425 PolarHBondContact O-N 3.42Å; L425-L438 HydrophobicContact CB-CB 4.44Å; L425-L438 HydrophobicContact CB-CD2 4.43Å; L425-L438 HydrophobicContact CD1-CB 4.47Å; L425-L438 HydrophobicContact CD1-CD1 4.46Å; L425-L438 HydrophobicContact CD2-CB 4.22Å |
| 426 | Q | 51.3 | Low | 58.8 | Low | 124 Ų | 124 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.4 | 175.8 | -178.9 | 167.2 | -21 | 0 | 0 | 109.8 | K424 L438 T439 | K424-Q426 PolarHBondContact O-N 3.05Å; Q426-L438 WeakPolarHBondContact O-CA 3.42Å; Q426-T439 PolarHBondContact N-O 2.73Å; Q426-T439 PolarHBondContact O-N 2.77Å |
| 427 | A | 63 | Low | 58 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | F400 L438 | F400-A427 HydrophobicContact CD2-CB 4.18Å; F400-A427 HydrophobicContact CE2-CB 3.98Å; A427-L438 HydrophobicContact CB-CD2 4.4Å |
| 428 | D | 66.2 | Low | 57.7 | Low | 56 Ų | 56 | 83.6 Ų | 83.6 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 178.9 | -164.7 | -173.7 | 14 | 0 | 0 | 0 | 109 | K436 V437 T439 Y441 | D428-K436 CarbonylContact O-C 3.4Å; D428-K436 WeakPolarHBondContact O-CA 3.4Å; D428-V437 HydrophobicContact CB-CG2 4.49Å; D428-V437 PolarHBondContact N-O 2.99Å; D428-V437 PolarHBondContact O-N 2.97Å; D428-T439 HydrophobicContact CB-CG2 3.79Å; D428-T439 WeakPolarHBondContact CB-OG1 3.47Å; D428-T439 WeakPolarHBondContact OD2-CB 3.27Å; D428-T439 WeakPolarHBondContact OD2-CG2 3.21Å; D428-T439 PolarHBondContact OD2-OG1 3.25Å; D428-Y441 WeakPolarHBondContact OD2-CD2 3.38Å; D428-Y441 WeakPolarHBondContact OD2-CE2 3.43Å |
| 429 | Q | 70.3 | Confident | 57.8 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 122.4 | -175.4 | -160 | 172.5 | 15.5 | 0 | 0 | 111.2 | S431 G434 V435 | Q429-S431 PolarHBondContact O-N 2.98Å; Q429-G434 WeakPolarHBondContact CG-O 3.03Å; Q429-G434 PolarHBondContact NE2-O 3Å; Q429-V435 WeakPolarHBondContact CA-O 3.45Å |
| 430 | D | 62.6 | Low | 58.2 | Low | 35 Ų | 35 | 78.9 Ų | 78.9 | 19% | 0.187 | 43% | 0.426 | C | S | . | . | trans | -62.8 | 111.3 | 179 | 169.5 | 16.9 | 0 | 0 | 0 | 109.2 | R432 T433 G434 V435 V437 | D430-R432 PolarHBondContact O-N 3.24Å; D430-R432 WeakPolarHBondContact OD1-CB 3.35Å; D430-R432 PolarHBondContact OD1-N 3.21Å; D430-R432 IonicContact OD2-CZ 2.71Å; D430-R432 IonicContact OD2-NE 3.59Å; D430-R432 PolarHBondContact OD2-NE 2.98Å; D430-R432 IonicContact OD2-NH2 3.95Å; D430-R432 PolarHBondContact OD2-NH2 3.3Å; D430-T433 WeakPolarHBondContact CB-OG1 3.42Å; D430-T433 VanDerWaalsContact CG-OG1 3.24Å; D430-T433 PolarHBondContact O-N 3.43Å; D430-T433 WeakPolarHBondContact OD2-CB 3.44Å; D430-T433 VanDerWaalsContact OD2-CG2 3.27Å; D430-T433 WeakPolarHBondContact OD2-CG2 3.24Å; D430-T433 PolarHBondContact OD2-OG1 3.04Å; D430-G434 PolarHBondContact O-N 2.93Å; D430-V435 PolarHBondContact N-O 2.9Å; D430-V437 HydrophobicContact CB-CG1 4.29Å; D430-V437 HydrophobicContact CB-CG2 4.21Å | ||
| 431 | S | 62.3 | Low | 58.1 | Low | 119 Ų | 119 | 80.3 Ų | 80.3 | 83% | 0.832 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.6 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | Q429 | Q429-S431 PolarHBondContact O-N 2.98Š|
| 432 | R | 63.2 | Low | 57.7 | Low | 171 Ų | 171 | 80.7 Ų | 80.7 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -27.9 | 172.8 | 177.6 | -165.6 | 58.8 | 117.1 | 3 | 113.6 | E374 D430 | E374-R432 IonicContact OE2-NH2 3.09Å; D430-R432 PolarHBondContact O-N 3.24Å; D430-R432 WeakPolarHBondContact OD1-CB 3.35Å; D430-R432 PolarHBondContact OD1-N 3.21Å; D430-R432 IonicContact OD2-CZ 2.71Å; D430-R432 IonicContact OD2-NE 3.59Å; D430-R432 PolarHBondContact OD2-NE 2.98Å; D430-R432 IonicContact OD2-NH2 3.95Å; D430-R432 PolarHBondContact OD2-NH2 3.3Å |
| 433 | T | 64.4 | Low | 57 | Low | 66 Ų | 66 | 84.6 Ų | 84.6 | 41% | 0.405 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -14 | -169.5 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | D430 V435 | D430-T433 WeakPolarHBondContact CB-OG1 3.42Å; D430-T433 VanDerWaalsContact CG-OG1 3.24Å; D430-T433 PolarHBondContact O-N 3.43Å; D430-T433 WeakPolarHBondContact OD2-CB 3.44Å; D430-T433 VanDerWaalsContact OD2-CG2 3.27Å; D430-T433 WeakPolarHBondContact OD2-CG2 3.24Å; D430-T433 PolarHBondContact OD2-OG1 3.04Å; T433-V435 PolarHBondContact O-N 3.48Å |
| 434 | G | 63.7 | Low | 56.2 | Low | 42 Ų | 42 | 86 Ų | 86 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | trans | 72 | 6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q429 D430 | Q429-G434 WeakPolarHBondContact CG-O 3.03Å; Q429-G434 PolarHBondContact NE2-O 3Å; D430-G434 PolarHBondContact O-N 2.93Å | ||
| 435 | V | 68.3 | Low | 55.2 | Low | 69 Ų | 69 | 84.6 Ų | 84.6 | 42% | 0.418 | 46% | 0.455 | S | S | . | . | trans | -80.8 | 137.4 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Q429 D430 T433 V437 | Q429-V435 WeakPolarHBondContact CA-O 3.45Å; D430-V435 PolarHBondContact N-O 2.9Å; T433-V435 PolarHBondContact O-N 3.48Å; V435-V437 PolarHBondContact O-N 3.04Å | ||
| 436 | K | 69.3 | Low | 54.3 | Low | 127 Ų | 127 | 88 Ų | 88 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.5 | 170 | -73.2 | -174.8 | 178.5 | 178.8 | 0 | 109.3 | F400 D428 | F400-K436 HydrophobicContact CB-CB 3.86Å; F400-K436 WeakPolarHBondContact CB-O 3.42Å; F400-K436 HydrophobicContact CG-CB 4.12Å; F400-K436 PolarHBondContact N-O 3.06Å; D428-K436 CarbonylContact O-C 3.4Å; D428-K436 WeakPolarHBondContact O-CA 3.4Å |
| 437 | V | 65.8 | Low | 53.3 | Low | 11 Ų | 11 | 86.5 Ų | 86.5 | 7% | 0.067 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161 | -177.7 | -75.7 | 0 | 0 | 0 | 0 | 110.5 | D428 D430 V435 T439 | D428-V437 HydrophobicContact CB-CG2 4.49Å; D428-V437 PolarHBondContact N-O 2.99Å; D428-V437 PolarHBondContact O-N 2.97Å; D430-V437 HydrophobicContact CB-CG1 4.29Å; D430-V437 HydrophobicContact CB-CG2 4.21Å; V435-V437 PolarHBondContact O-N 3.04Å; V437-T439 HydrophobicContact CB-CG2 4.08Å; V437-T439 HydrophobicContact CG2-CG2 3.54Å |
| 438 | L | 59.2 | Low | 51.9 | Low | 14 Ų | 14 | 87.4 Ų | 87.4 | 7% | 0.073 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.4 | 172.7 | -67.2 | 166.9 | 0 | 0 | 0 | 109.1 | L398 F400 L425 Q426 A427 | L398-L438 HydrophobicContact CB-CB 4.36Å; L398-L438 PolarHBondContact N-O 2.98Å; L398-L438 PolarHBondContact O-N 2.98Å; F400-L438 HydrophobicContact CD2-CD2 4.15Å; F400-L438 HydrophobicContact CD2-CG 4.43Å; L425-L438 HydrophobicContact CB-CB 4.44Å; L425-L438 HydrophobicContact CB-CD2 4.43Å; L425-L438 HydrophobicContact CD1-CB 4.47Å; L425-L438 HydrophobicContact CD1-CD1 4.46Å; L425-L438 HydrophobicContact CD2-CB 4.22Å; Q426-L438 WeakPolarHBondContact O-CA 3.42Å; A427-L438 HydrophobicContact CB-CD2 4.4Å |
| 439 | T | 58 | Low | 50.1 | Low | 8 Ų | 8 | 91.9 Ų | 91.9 | 5% | 0.049 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | -179.9 | -166.1 | 72.3 | 0 | 0 | 0 | 0 | 112 | T397 Q426 D428 V437 Y441 | T397-T439 HydrophobicContact CG2-CG2 3.88Å; Q426-T439 PolarHBondContact N-O 2.73Å; Q426-T439 PolarHBondContact O-N 2.77Å; D428-T439 HydrophobicContact CB-CG2 3.79Å; D428-T439 WeakPolarHBondContact CB-OG1 3.47Å; D428-T439 WeakPolarHBondContact OD2-CB 3.27Å; D428-T439 WeakPolarHBondContact OD2-CG2 3.21Å; D428-T439 PolarHBondContact OD2-OG1 3.25Å; V437-T439 HydrophobicContact CB-CG2 4.08Å; V437-T439 HydrophobicContact CG2-CG2 3.54Å; T439-Y441 HydrophobicContact CG2-CD2 4.39Å; T439-Y441 HydrophobicContact CG2-CE2 3.95Å; T439-Y441 WeakPolarHBondContact OG1-CD2 3.37Å |
| 440 | C | 53.3 | Low | 48.4 | Very low | 64 Ų | 64 | 93.5 Ų | 93.5 | 43% | 0.432 | 53% | 0.533 | S | S | . | . | trans | -149.7 | 63.8 | -174.8 | -174 | 0 | 0 | 0 | 0 | 111 | L442 | C440-L442 PolarHBondContact O-N 2.99Š| ||
| 441 | Y | 43.3 | Very low | 46.8 | Very low | 124 Ų | 124 | 96 Ų | 96 | 49% | 0.486 | 55% | 0.55 | S | S | . | * | trans | -86.5 | 68.9 | -172.8 | -82.1 | -102.8 | 0 | 0 | 0 | 114.4 | D428 T439 | D428-Y441 WeakPolarHBondContact OD2-CD2 3.38Å; D428-Y441 WeakPolarHBondContact OD2-CE2 3.43Å; T439-Y441 HydrophobicContact CG2-CD2 4.39Å; T439-Y441 HydrophobicContact CG2-CE2 3.95Å; T439-Y441 WeakPolarHBondContact OG1-CD2 3.37Å | ||
| 442 | L | 34.4 | Very low | 45.3 | Very low | 128 Ų | 128 | 97.2 Ų | 97.2 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | trans | -140.4 | 68.5 | 169 | -76.1 | 179.8 | 0 | 0 | 0 | 113.1 | L423 C440 | L423-L442 HydrophobicContact CD2-CD1 4.28Å; C440-L442 PolarHBondContact O-N 2.99Å | ||
| 443 | L | 27.7 | Very low | 43.9 | Very low | 127 Ų | 127 | 96.7 Ų | 96.7 | 67% | 0.665 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 173.3 | 158.8 | 147.2 | -94.1 | 161.3 | 0 | 0 | 0 | 108.4 | Q445 | L443-Q445 PolarHBondContact O-N 2.93Š|
| 444 | P | 30.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 102.6 Ų | 102.6 | 76% | 0.76 | 58% | 0.575 | S | S | * | * | trans | -68.3 | 133.1 | -155.2 | 24.7 | -35.2 | 0 | 0 | 0 | 114.5 | S446 | P444-S446 PolarHBondContact O-N 2.9Š| ||
| 445 | Q | 27.8 | Very low | 40.8 | Very low | 143 Ų | 143 | 105.7 Ų | 105.7 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | trans | -75.2 | 110.1 | 167.4 | -63.2 | -171.1 | -7.7 | 0 | 0 | 109.2 | L443 A447 | L443-Q445 PolarHBondContact O-N 2.93Å; Q445-A447 PolarHBondContact O-N 2.98Å | ||
| 446 | S | 35.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 111 Ų | 111 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -70.5 | 99.4 | 177.2 | 39.5 | 0 | 0 | 0 | 0 | 111.1 | P444 | P444-S446 PolarHBondContact O-N 2.9Š| ||
| 447 | A | 32.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | trans | -69.7 | 156.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q445 | Q445-A447 PolarHBondContact O-N 2.98Š| ||
| 448 | A | 32.1 | Very low | 35.7 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 65% | 0.653 | 66% | 0.657 | S | S | * | * | trans | 53.9 | 104.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | L450 | A448-L450 VanDerWaalsContact C-N 3.27Å; A448-L450 HydrophobicContact CB-CD1 4.18Å; A448-L450 HydrophobicContact CB-CG 4.21Å; A448-L450 PolarHBondContact O-N 3.36Å | ||
| 449 | I | 29.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -69.2 | 92 | 146.4 | -58.7 | 173.6 | 0 | 0 | 0 | 107.3 | ||||
| 450 | L | 34.1 | Very low | 32.8 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | trans | -107.6 | 141.7 | 162.4 | -82 | 168.2 | 0 | 0 | 0 | 109.3 | A448 | A448-L450 VanDerWaalsContact C-N 3.27Å; A448-L450 HydrophobicContact CB-CD1 4.18Å; A448-L450 HydrophobicContact CB-CG 4.21Å; A448-L450 PolarHBondContact O-N 3.36Å | ||
| 451 | T | 30.2 | Very low | 31.7 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | trans | -102.5 | 139.5 | -167.7 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 452 | D | 29.2 | Very low | 31 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 46.9 | 106.7 | 148.5 | -57.2 | -49.8 | 0 | 0 | 0 | 118.6 | ||||
| 453 | I | 33.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | 179 | 130.4 | 106.9 | -87.8 | 152.6 | 0 | 0 | 0 | 111.6 | |||||
| 454 | K | 30 | Very low | 30.8 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -5.6 | 129.5 | 157.8 | -47.3 | 166.4 | -175.2 | 175.6 | 0 | 118.2 | ||||
| 455 | S | 34.4 | Very low | 30.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | 168.3 | 126.4 | 94.1 | 61 | 0 | 0 | 0 | 0 | 115 | |||||
| 456 | E | 32.6 | Very low | 31 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 56.5 | 155 | 154 | -59.4 | -50.7 | 102 | 0 | 0 | 123.1 | ||||
| 457 | P | 32.4 | Very low | 31.1 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -116.5 | 151.6 | -170.6 | 40.7 | -28.8 | 0 | 0 | 0 | 115.6 | ||||
| 458 | V | 31.6 | Very low | 31.2 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -140 | 157.3 | 165.8 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 459 | M | 28.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | trans | -86.1 | 151.3 | -161.6 | -58.7 | 166.5 | -70.6 | 0 | 0 | 116.2 | ||||
| 460 | E | 28.4 | Very low | 31.2 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | 59.6 | 157.6 | 134.8 | -72.3 | -170.4 | 152.9 | 0 | 0 | 124.6 | ||||
| 461 | N | 29.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 74 | 116.9 | 164.1 | -60.6 | -46.7 | 0 | 0 | 0 | 117.6 | ||||
| 462 | G | 28 | Very low | 31.5 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -106.9 | -172.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 463 | F | 26.8 | Very low | 31.6 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -143.3 | 157.2 | 175.2 | -169.1 | -110.2 | 0 | 0 | 0 | 111.6 | ||||
| 464 | V | 31.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -111.2 | 136.8 | -172 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 465 | G | 29.1 | Very low | 31.7 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 171.2 | 113.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 466 | G | 33.9 | Very low | 31.7 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 154.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 467 | P | 37.6 | Very low | 31.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -86 | 140.7 | 179.7 | -3.8 | 23.1 | 0 | 0 | 0 | 112.5 | ||||
| 468 | K | 32.5 | Very low | 31.7 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -87.3 | 147 | 159.5 | -65 | 178.9 | 178.1 | -179.5 | 0 | 109.7 | ||||
| 469 | V | 33.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -137.4 | 158.5 | 155.9 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 470 | H | 28.8 | Very low | 31.7 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -114.1 | 165.7 | -163.9 | -150.4 | -91.2 | 0 | 0 | 0 | 113.3 | ||||
| 471 | F | 37 | Very low | 31.8 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 74% | 0.737 | 81% | 0.811 | S | S | * | * | trans | -62.1 | 164.3 | 178.4 | -53 | -89.8 | 0 | 0 | 0 | 114.1 | ||||
| 472 | P | 33.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | -138 | 158.6 | 106.6 | 39.7 | -30.6 | 0 | 0 | 0 | 115.2 | |||||
| 473 | D | 31.6 | Very low | 32 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -82 | 135.2 | 166.7 | -46.6 | -82.8 | 0 | 0 | 0 | 111 | ||||
| 474 | V | 35.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -150.4 | 131.4 | 165.4 | -173 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 475 | D | 30.9 | Very low | 32.2 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -75.9 | 158.2 | 176.8 | -48.9 | -94.3 | 0 | 0 | 0 | 113.9 | ||||
| 476 | G | 33.2 | Very low | 32.4 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 151 | 140.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 477 | P | 35.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -127.6 | -179.5 | -149.3 | 42.6 | -26.6 | 0 | 0 | 0 | 116.4 | ||||
| 478 | E | 29.1 | Very low | 32.3 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 64.7 | 121.1 | 167 | -53.9 | -169.8 | 167.8 | 0 | 0 | 116.8 | ||||
| 479 | S | 30.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 179.5 | 157.1 | 64.9 | 40.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 480 | V | 30.4 | Very low | 32.4 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 22.2 | 119.4 | 164.8 | -91.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 481 | D | 30.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | -173 | 174.5 | 85.5 | -100.8 | -28.1 | 0 | 0 | 0 | 112.3 | |||||
| 482 | E | 28 | Very low | 32.6 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -87 | 132.9 | -170.6 | -54.1 | 175.9 | 144 | 0 | 0 | 114.1 | ||||
| 483 | E | 32.2 | Very low | 32.6 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -131.4 | 133.3 | 157.3 | -81.2 | -152.8 | 140.4 | 0 | 0 | 111.6 | ||||
| 484 | E | 32.1 | Very low | 32.7 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -78.3 | 157.7 | -173.8 | -64.9 | -178.7 | 111.1 | 0 | 0 | 114.4 | T486 | E484-T486 PolarHBondContact O-N 3.46Š| ||
| 485 | S | 31.1 | Very low | 32.7 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -70.7 | 112.9 | -174.2 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 486 | T | 33.7 | Very low | 32.6 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 130.5 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | F400 E484 | F400-T486 HydrophobicContact CZ-CG2 4.24Å; E484-T486 PolarHBondContact O-N 3.46Å | ||
| 487 | G | 36.5 | Very low | 32.7 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | -64.9 | 141.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 488 | R | 33.8 | Very low | 32.6 | Very low | 207 Ų | 207 | 145 Ų | 145 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -97.6 | 110.8 | -176.9 | 172.7 | 174 | 165.4 | 157.3 | -8.9 | 111.1 | E490 | R488-E490 HydrophobicContact CG-CG 4.13Å; R488-E490 IonicContact CZ-OE1 3.65Å; R488-E490 IonicContact NE-OE1 2.81Å; R488-E490 PolarHBondContact NE-OE1 3.01Å; R488-E490 IonicContact NH2-OE1 3.96Å; R488-E490 PolarHBondContact NH2-OE1 3.41Å; R488-E490 PolarHBondContact O-N 3.25Å | ||
| 489 | F | 35 | Very low | 32.8 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 46% | 0.461 | 75% | 0.753 | S | S | . | * | trans | -72.6 | 121.5 | 170.3 | -77.9 | -75.8 | 0 | 0 | 0 | 111.1 | V402 | V402-F489 HydrophobicContact CG1-CZ 4.35Š| ||
| 490 | E | 31.7 | Very low | 33 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | trans | -113.8 | 156.9 | 166.2 | -57 | -156.2 | 145.2 | 0 | 0 | 110.5 | R488 | R488-E490 HydrophobicContact CG-CG 4.13Å; R488-E490 IonicContact CZ-OE1 3.65Å; R488-E490 IonicContact NE-OE1 2.81Å; R488-E490 PolarHBondContact NE-OE1 3.01Å; R488-E490 IonicContact NH2-OE1 3.96Å; R488-E490 PolarHBondContact NH2-OE1 3.41Å; R488-E490 PolarHBondContact O-N 3.25Å | ||
| 491 | R | 32.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | trans | -102.7 | 141.9 | -178.1 | -70.8 | -170.1 | -175.7 | 163.9 | 8.4 | 111.7 | M422 L423 | M422-R491 VanDerWaalsContact CB-NH2 3.29Å; M422-R491 VanDerWaalsContact O-CZ 3.28Å; M422-R491 PolarHBondContact O-NH1 3.01Å; M422-R491 PolarHBondContact O-NH2 2.75Å; L423-R491 PolarHBondContact O-NH2 3.1Å | ||
| 492 | H | 37.5 | Very low | 33.1 | Very low | 177 Ų | 177 | 146 Ų | 146 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | trans | -122 | 134.5 | 157.8 | -62.8 | -41.4 | 0 | 0 | 0 | 108.9 | ||||
| 493 | D | 33.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 143 Ų | 143 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | trans | -67.8 | 131.9 | 176.1 | -67.8 | -67.8 | 0 | 0 | 0 | 110.6 | P495 T699 | D493-P495 WeakPolarHBondContact O-CD 3.38Å; D493-T699 HydrophobicContact CB-CG2 4.18Å; D493-T699 VanDerWaalsContact OD2-CG2 3.27Å; D493-T699 WeakPolarHBondContact OD2-CG2 3.16Å | ||
| 494 | T | 34.8 | Very low | 33.2 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -58.8 | 121.6 | 175.3 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | H496 | T494-H496 PolarHBondContact O-N 3.11Š| ||
| 495 | P | 33.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 95.1 | -173.2 | 27.9 | -34.7 | 0 | 0 | 0 | 111.2 | D493 | D493-P495 WeakPolarHBondContact O-CD 3.38Š| ||
| 496 | H | 28.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -57.6 | 124.7 | 174.3 | -138.2 | -54.3 | 0 | 0 | 0 | 109.7 | T494 K498 | T494-H496 PolarHBondContact O-N 3.11Å; H496-K498 PolarHBondContact O-N 3.23Å | ||
| 497 | P | 36.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -68.8 | 95 | -179.4 | 25.9 | -33.9 | 0 | 0 | 0 | 110.5 | H499 | P497-H499 PolarHBondContact O-N 3.03Š| ||
| 498 | K | 33.2 | Very low | 33.3 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -65.9 | 117.2 | 178.8 | -70.1 | 177.5 | -179.2 | 172.7 | 0 | 109.6 | H496 | H496-K498 PolarHBondContact O-N 3.23Š| ||
| 499 | H | 32.5 | Very low | 33.2 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -51.5 | 129.9 | 171.9 | -82.4 | -65.9 | 0 | 0 | 0 | 111 | P497 A501 | P497-H499 PolarHBondContact O-N 3.03Å; H499-A501 PolarHBondContact O-N 2.8Å | ||
| 500 | P | 35.1 | Very low | 33 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -70.8 | 96.3 | 174.9 | 27.6 | -33.3 | 0 | 0 | 0 | 110.4 | K502 | P500-K502 PolarHBondContact O-N 3Š| ||
| 501 | A | 32.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 124.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H499 | H499-A501 PolarHBondContact O-N 2.8Š|
| 502 | K | 30 | Very low | 33.1 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.6 | -171.2 | -66.5 | 179.8 | 178.5 | 179.7 | 0 | 111.8 | P500 K504 | P500-K502 PolarHBondContact O-N 3Å; K502-K504 PolarHBondContact O-N 3.04Å |
| 503 | P | 30.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 123 | 175.6 | 28.4 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 504 | K | 31.7 | Very low | 32.8 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | trans | -107.5 | 120.6 | 144.6 | -60.7 | 175 | -177.9 | 176.1 | 0 | 103.2 | K502 | K502-K504 PolarHBondContact O-N 3.04Š| ||
| 505 | G | 34.3 | Very low | 32.8 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | 87.2 | 131.7 | 59.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 506 | R | 34.7 | Very low | 32.6 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | cis | -175.3 | 159.4 | 16.3 | -145 | 177.1 | 177.1 | -141.7 | 12.1 | 110.1 | ||||
| 507 | Q | 33.2 | Very low | 32.6 | Very low | 139 Ų | 139 | 147 Ų | 147 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | 63 | 169 | 153.1 | -81.4 | 168.8 | -74.2 | 0 | 0 | 118.3 | ||||
| 508 | I | 33.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -96.7 | -133.3 | -10.7 | -19.3 | -179.6 | 0 | 0 | 0 | 108.4 | ||||
| 509 | D | 32.9 | Very low | 32 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | -142.3 | -177.7 | -16.2 | -143.6 | -46 | 0 | 0 | 0 | 108.7 | ||||
| 510 | G | 29.4 | Very low | 31.7 | Very low | 51 Ų | 51 | 144.6 Ų | 144.6 | 53% | 0.526 | 78% | 0.78 | S | S | . | * | trans | -118.1 | -172.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 511 | H | 33.5 | Very low | 31.4 | Very low | 199 Ų | 199 | 145 Ų | 145 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -146.3 | 151.5 | 135.4 | -104.5 | 71.9 | 0 | 0 | 0 | 109.3 | ||||
| 512 | V | 33.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | -124.3 | 133.2 | -175 | 173.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 513 | I | 33.1 | Very low | 31 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -139 | 139.2 | 157.2 | -59.8 | -174.9 | 0 | 0 | 0 | 108 | ||||
| 514 | P | 31.9 | Very low | 30.8 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -96.7 | 173.1 | -171.5 | 3.2 | 19.3 | 0 | 0 | 0 | 114.1 | ||||
| 515 | H | 33.1 | Very low | 30.5 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | trans | -76.1 | 138.5 | 157.9 | -85.3 | -108.2 | 0 | 0 | 0 | 110.7 | ||||
| 516 | E | 30.6 | Very low | 30.2 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | -178.2 | 142.4 | 121.7 | -89.5 | -120 | 131.7 | 0 | 0 | 113.9 | |||||
| 517 | V | 29.7 | Very low | 29.7 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | trans | 36.8 | 98.4 | 144.4 | -167.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 518 | G | 27.1 | Very low | 29.4 | Very low | 65 Ų | 65 | 140.6 Ų | 140.6 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | 98.8 | 156.2 | 104.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 519 | K | 28.5 | Very low | 29 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | 74.2 | 118 | 173.7 | -64.5 | 171.8 | -175 | 171.1 | 0 | 114.5 | ||||
| 520 | K | 27.1 | Very low | 28.7 | Very low | 175 Ų | 175 | 137 Ų | 137 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | 64.4 | 136.5 | 87.1 | -77.1 | 177.6 | 164.5 | -101.8 | 0 | 112.2 | |||||
| 521 | H | 28.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | cis | -160.4 | 158.8 | 5.4 | -120.3 | -71.1 | 0 | 0 | 0 | 107.4 | ||||
| 522 | D | 28 | Very low | 28.3 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | trans | 59.7 | 150.3 | 147.8 | -67.7 | 21.7 | 0 | 0 | 0 | 118.5 | ||||
| 523 | K | 27.2 | Very low | 28 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | cis | -160.1 | -169.7 | 4.7 | -125 | 172.1 | 179.9 | 107.7 | 0 | 111 | ||||
| 524 | E | 25.4 | Very low | 27.8 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -32.1 | 158.9 | 157 | -51.2 | 138.2 | 137.7 | 0 | 0 | 114 | ||||
| 525 | A | 26.1 | Very low | 27.6 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | -164.8 | 145.9 | 22.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 526 | S | 26.9 | Very low | 27.5 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | 77.6 | 155.9 | 82.3 | 87.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 527 | F | 24.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | 73.9 | 153.5 | 177.2 | -73.6 | -113.2 | 0 | 0 | 0 | 118.7 | ||||
| 528 | R | 26 | Very low | 27.6 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | cis | -175.6 | 152.4 | -39.9 | -114 | -165.3 | -163.4 | 167.1 | 3.5 | 109.9 | ||||
| 529 | V | 26.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | 43.8 | 132.1 | 140.5 | -179.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 530 | G | 26.2 | Very low | 28.3 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 146.2 | 94.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 531 | D | 26.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | 64.9 | 132.1 | 57.4 | -162.6 | 11.7 | 0 | 0 | 0 | 113.4 | |||||
| 532 | G | 26.7 | Very low | 29.1 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | 138.5 | 68.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 533 | K | 27.2 | Very low | 29.3 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | 1.3 | 133.9 | 145.1 | -57.3 | 157.5 | -178.1 | 166.7 | 0 | 119.2 | ||||
| 534 | K | 29.3 | Very low | 29.6 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | -177.6 | 126 | 127.1 | -99.4 | 152.2 | -173.6 | 179.4 | 0 | 111 | |||||
| 535 | R | 28.2 | Very low | 29.9 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | 71.9 | 139.5 | 87.6 | -72.1 | -166.7 | 141.9 | -152.4 | -2.2 | 113.1 | |||||
| 536 | L | 30.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | cis | -147.3 | 145.9 | -0.9 | -127 | 61.3 | 0 | 0 | 0 | 105.3 | ||||
| 537 | S | 32.4 | Very low | 30.4 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | 64.5 | 156.2 | 83.5 | 109.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 538 | T | 30.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | cis | -172.6 | -170.5 | -15.8 | 31.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 539 | D | 33.1 | Very low | 30.6 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | cis | -119.9 | -123.7 | 5 | -70 | -92.3 | 0 | 0 | 0 | 110.2 | ||||
| 540 | D | 36.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | cis | -157.8 | -158 | -0.6 | -152.5 | -33.3 | 0 | 0 | 0 | 110.3 | ||||
| 541 | T | 32.6 | Very low | 31 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -124.6 | -173.1 | -163.5 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 542 | I | 38.9 | Very low | 31 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | cis | -146.3 | -162.7 | 17.2 | -40.1 | 159.2 | 0 | 0 | 0 | 108.2 | ||||
| 543 | D | 32.1 | Very low | 31.1 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | -156.8 | -165.3 | -109 | -145.9 | -50.2 | 0 | 0 | 0 | 110.1 | |||||
| 544 | D | 35 | Very low | 31.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 70.6 | 128.9 | 176.1 | -82.3 | -55.5 | 0 | 0 | 0 | 117.2 | ||||
| 545 | S | 31.2 | Very low | 31.3 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | 93.6 | 152.5 | 48.4 | 91 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 546 | Q | 30.7 | Very low | 31.3 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | cis | -164.9 | -174.7 | 8.1 | -146.2 | 172.9 | 56 | 0 | 0 | 111.1 | ||||
| 547 | I | 31.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | 75.2 | 116.1 | 157.1 | -67.8 | 158.9 | 0 | 0 | 0 | 116.7 | ||||
| 548 | E | 27.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | 74.3 | 149.5 | 76.8 | -79.1 | -173.7 | -157.9 | 0 | 0 | 115.1 | |||||
| 549 | N | 29.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | cis | -159.3 | 148.9 | 0.5 | -128.6 | -30.4 | 0 | 0 | 0 | 114.8 | ||||
| 550 | D | 29 | Very low | 31.9 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | 56.7 | 157.7 | 137.1 | -132.2 | -3.9 | 0 | 0 | 0 | 128.8 | ||||
| 551 | Q | 30.3 | Very low | 31.5 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | 89.9 | 88.7 | 141.2 | -92.2 | 165.6 | 73.9 | 0 | 0 | 126.8 | ||||
| 552 | T | 28.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | 67.7 | 138.9 | 117.8 | 59 | 0 | 0 | 0 | 0 | 127.1 | |||||
| 553 | A | 28.6 | Very low | 31.1 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 101.1 | 131.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 554 | A | 30 | Very low | 31.2 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 73.5 | 167.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 555 | S | 29.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | 178.2 | 161.7 | -38.2 | 77.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 556 | T | 30 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | cis | -161.2 | 159.6 | -9.5 | -14.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 557 | S | 30.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 66.5 | 140.3 | 142.7 | 68.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 558 | G | 31.6 | Very low | 31.1 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 123.3 | 98.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 559 | M | 36.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 94% | 0.941 | 76% | 0.758 | S | S | * | * | 82.9 | 146 | 59.9 | -71 | -70.1 | 176 | 0 | 0 | 115.7 | |||||
| 560 | P | 38.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -133.1 | -170.3 | -140.1 | 42 | -24 | 0 | 0 | 0 | 116 | ||||
| 561 | L | 28.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 163.9 | 145.3 | 133 | -85.8 | 160.1 | 0 | 0 | 0 | 116.8 | ||||
| 562 | Q | 30.2 | Very low | 31.3 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 60.7 | 115.2 | 143.9 | -70.9 | 163.1 | -39.1 | 0 | 0 | 125.5 | ||||
| 563 | L | 32.7 | Very low | 31.7 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | 29.3 | 159.1 | 104.9 | -76.5 | 161.6 | 0 | 0 | 0 | 121.3 | |||||
| 564 | P | 35.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -146.5 | 170 | 4 | 41.8 | -21.2 | 0 | 0 | 0 | 120.6 | ||||
| 565 | K | 31.2 | Very low | 32.1 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 54.9 | 161.5 | 137.2 | -71.9 | -177.3 | 176.2 | -178 | 0 | 127 | ||||
| 566 | E | 31.8 | Very low | 32.3 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | 88.5 | 142.8 | 162.4 | -50.3 | -164.2 | 171.2 | 0 | 0 | 119.2 | ||||
| 567 | G | 32.7 | Very low | 32.4 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 174.8 | 143.7 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 568 | E | 29.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 52.2 | -167.8 | 160.5 | -56.7 | -171.3 | 55.5 | 0 | 0 | 120.3 | ||||
| 569 | R | 32.9 | Very low | 32.6 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 68% | 0.683 | 79% | 0.785 | S | S | * | * | cis | -162.5 | 129.5 | 2.6 | -155.8 | 169.6 | -86.5 | 153.6 | -2 | 116 | ||||
| 570 | T | 28.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | 60.5 | 166.8 | 151.6 | 51.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 571 | A | 31.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | cis | -165.3 | -177.7 | -18.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 572 | S | 27.5 | Very low | 33 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -85.2 | -157.5 | -178.3 | -35 | 0 | 0 | 0 | 0 | 114 | ||||
| 573 | P | 37.7 | Very low | 33.4 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -152.5 | -167.1 | 11.5 | 43.9 | -20.2 | 0 | 0 | 0 | 120.2 | ||||
| 574 | R | 33.6 | Very low | 34.1 | Very low | 201 Ų | 201 | 141 Ų | 141 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | 97.1 | 121.4 | 142.4 | -80.8 | 174.6 | -179.2 | -159.8 | 2.1 | 125.3 | ||||
| 575 | R | 32.7 | Very low | 34.4 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | 71.1 | 158.8 | 133.1 | -65.4 | 178.9 | 173.7 | -158.5 | -3.5 | 119.1 | ||||
| 576 | T | 34 | Very low | 34.6 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -133.5 | -172.8 | 18.5 | 45.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 577 | S | 31.6 | Very low | 35 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 172.9 | 179.4 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 578 | E | 32.3 | Very low | 35 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | -150.1 | -164.8 | 58.2 | -64.9 | -161.4 | 137.3 | 0 | 0 | 116.5 | |||||
| 579 | R | 34.8 | Very low | 35.3 | Very low | 229 Ų | 229 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -161.8 | -169.6 | -156 | -159.8 | -143.6 | 167.9 | -167.6 | -2.3 | 110.1 | ||||
| 580 | P | 39.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | -96.7 | 175.2 | -83.2 | 37.4 | -24 | 0 | 0 | 0 | 115 | |||||
| 581 | S | 35.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -176.4 | 161.5 | 123.3 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 582 | A | 36.7 | Very low | 35.7 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -148 | 147.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 583 | P | 39.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -147 | -162.4 | 133.3 | 37.4 | -17.8 | 0 | 0 | 0 | 111.8 | ||||
| 584 | P | 46.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | -127 | 172.1 | -73.3 | 39.6 | -25.2 | 0 | 0 | 0 | 113.8 | |||||
| 585 | P | 42.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -96.9 | 140 | -179.1 | 36 | -33.2 | 0 | 0 | 0 | 115 | ||||
| 586 | V | 34.8 | Very low | 35.5 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -151.1 | 171.4 | 177.4 | -131.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 587 | P | 40.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | -118.6 | 172.1 | -99.7 | 42.2 | -28.6 | 0 | 0 | 0 | 115.4 | |||||
| 588 | P | 33.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 155.7 | 167.8 | 32.1 | -36.5 | 0 | 0 | 0 | 112.7 | ||||
| 589 | R | 34.6 | Very low | 35.1 | Very low | 238 Ų | 238 | 136.4 Ų | 136.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -135.5 | 144.8 | 167.2 | -78.5 | -169.3 | 171.6 | -164 | -1.6 | 112 | ||||
| 590 | S | 30.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -124.5 | 129.8 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 591 | I | 35.3 | Very low | 34.4 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -142.4 | 87.8 | 175.2 | -62.5 | -178.4 | 0 | 0 | 0 | 104.3 | ||||
| 592 | S | 35.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 84.8 | 115.3 | 79.7 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 593 | S | 29.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -63.9 | 173.1 | 171.5 | -40.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 594 | P | 35.5 | Very low | 33.5 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -140 | 157.8 | 94 | 39 | -27.9 | 0 | 0 | 0 | 115.2 | |||||
| 595 | D | 29.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -65.6 | 151.4 | 165.4 | -55.3 | -93.6 | 0 | 0 | 0 | 112.3 | ||||
| 596 | R | 32.5 | Very low | 32.4 | Very low | 257 Ų | 257 | 146.1 Ų | 146.1 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | trans | -149 | 137.2 | 144.6 | -126.2 | 176.6 | -174.8 | -175.1 | 0.6 | 111.4 | ||||
| 597 | A | 28.4 | Very low | 32.4 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -114.2 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 598 | A | 30.6 | Very low | 31.7 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | 89.5 | 107.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 599 | H | 30.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | 92.1 | 153.3 | 116.3 | -74.8 | 9.8 | 0 | 0 | 0 | 122 | |||||
| 600 | N | 32.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 148 Ų | 148 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 130.5 | 178.4 | -68.1 | -15.7 | 0 | 0 | 0 | 116.7 | ||||
| 601 | K | 28.4 | Very low | 31.1 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | cis | 106.9 | 94.5 | 22.8 | -86.6 | -168 | 169.5 | -173.5 | 0 | 111.9 | ||||
| 602 | Q | 32.2 | Very low | 30.7 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -176.3 | 121.1 | 136.7 | -98.9 | 156.4 | -6.5 | 0 | 0 | 104.6 | ||||
| 603 | M | 27.8 | Very low | 30.4 | Very low | 162 Ų | 162 | 152 Ų | 152 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | cis | 73.9 | 76.4 | 29.1 | -160.8 | 177.5 | 176.9 | 0 | 0 | 114.1 | T605 | M603-T605 HydrophobicContact CE-CG2 4.38Š| ||
| 604 | E | 33.1 | Very low | 30.5 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -120.7 | 160.2 | 139.7 | -71 | -160.3 | 134.8 | 0 | 0 | 109.1 | ||||
| 605 | T | 30.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | -128.8 | 163.5 | -155.4 | 28.6 | 0 | 0 | 0 | 0 | 113 | M603 | M603-T605 HydrophobicContact CE-CG2 4.38Š| ||
| 606 | P | 36.6 | Very low | 30.5 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -92.8 | 174.4 | -154 | 37.6 | -38.3 | 0 | 0 | 0 | 114.3 | ||||
| 607 | T | 33.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -130.1 | 127.3 | 146.8 | 33.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 608 | E | 27.1 | Very low | 30.2 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 160.1 | 173.9 | -56.3 | 171.1 | 120.6 | 0 | 0 | 110.8 | ||||
| 609 | K | 32.3 | Very low | 30.3 | Very low | 215 Ų | 215 | 151.8 Ų | 151.8 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -164.3 | 90 | 142 | -107.4 | 150.3 | -169.9 | 174.3 | 0 | 113.1 | ||||
| 610 | T | 27.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | -51.5 | 158.3 | 150.5 | -8.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 611 | V | 25.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | -168.2 | 139.2 | 68.3 | 165.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 612 | N | 26.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 145 Ų | 145 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 33 | 133.9 | 151.6 | -55.6 | -9.2 | 0 | 0 | 0 | 126.2 | ||||
| 613 | F | 29.4 | Very low | 30.3 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -22.7 | 147.6 | 139.1 | -47.5 | -96 | 0 | 0 | 0 | 119.8 | ||||
| 614 | A | 31.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -166.3 | 162 | 133.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 615 | P | 36.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -135 | -171.9 | -154.6 | 46 | -30.5 | 0 | 0 | 0 | 118 | ||||
| 616 | F | 29.1 | Very low | 30.1 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 90 | 139.7 | 155.2 | -102.4 | -117.6 | 0 | 0 | 0 | 122 | ||||
| 617 | E | 27.4 | Very low | 30.1 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 64.4 | 140.9 | 158.8 | -46.3 | -141.1 | 142.4 | 0 | 0 | 124.7 | ||||
| 618 | G | 27 | Very low | 30.3 | Very low | 72 Ų | 72 | 154.5 Ų | 154.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 138.7 | 88.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 619 | E | 31.7 | Very low | 30.3 | Very low | 179 Ų | 179 | 156.2 Ų | 156.2 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -54.8 | 167.8 | 155.6 | -90.7 | -100 | 163.4 | 0 | 0 | 113 | ||||
| 620 | P | 36.7 | Very low | 30 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | cis | -144.5 | -179.1 | 19.4 | 44.1 | -25.4 | 0 | 0 | 0 | 119.4 | ||||
| 621 | K | 29.1 | Very low | 30.5 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 68.9 | 117.9 | 147 | -80.5 | 167.4 | -177.9 | 178.3 | 0 | 122.8 | ||||
| 622 | G | 29.3 | Very low | 30.6 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 90.7 | 146.9 | 134 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 623 | E | 29.5 | Very low | 31.1 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | cis | -154.9 | 123.2 | -18.8 | -157.9 | 168.5 | -126.4 | 0 | 0 | 109.7 | ||||
| 624 | G | 28.8 | Very low | 31.2 | Very low | 75 Ų | 75 | 150.7 Ų | 150.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -136.8 | 25 | -152.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 625 | R | 27.5 | Very low | 30.9 | Very low | 237 Ų | 237 | 154 Ų | 154 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | 49.4 | 79.5 | 157 | -168.6 | -179.3 | 176.3 | 160.8 | -2.8 | 118.1 | ||||
| 626 | L | 29.7 | Very low | 30.6 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | -162.8 | 80.3 | 126.9 | -107 | 166.2 | 0 | 0 | 0 | 114.7 | |||||
| 627 | K | 36.5 | Very low | 30.4 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | 45 | 98 | 144.8 | -61.3 | -176.8 | 178.3 | -179 | 0 | 119.8 | ||||
| 628 | R | 37.3 | Very low | 30.5 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -82.3 | 147.3 | 147 | -67.7 | 172.9 | 170.3 | 162.2 | -5 | 110.9 | ||||
| 629 | K | 27.4 | Very low | 30.4 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -177.2 | 115.4 | 144.4 | -101.8 | 177 | 178.3 | -175.5 | 0 | 106.9 | ||||
| 630 | N | 25.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | 79 | 107.7 | 68.7 | -68.5 | 10.4 | 0 | 0 | 0 | 113.4 | |||||
| 631 | T | 37.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 20.7 | 135.1 | 147 | 49.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 632 | P | 29.3 | Very low | 29.7 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | -128.2 | 145.6 | 112.5 | 36.8 | -31.5 | 0 | 0 | 0 | 114 | |||||
| 633 | H | 36.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 143.1 | 141.8 | -81 | -86.6 | 0 | 0 | 0 | 107.2 | ||||
| 634 | P | 31.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | -143.7 | 136 | 123.3 | 32.1 | -16.1 | 0 | 0 | 0 | 115.3 | |||||
| 635 | L | 25 | Very low | 30.1 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | 59 | 137.2 | 132.3 | -57.8 | 173 | 0 | 0 | 0 | 122.1 | ||||
| 636 | K | 30.1 | Very low | 30.4 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 141.1 | 159.5 | -57.8 | 173.6 | 177.7 | -178.9 | 0 | 109.7 | ||||
| 637 | S | 25.5 | Very low | 30.6 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -157.1 | 137.2 | 145.7 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 638 | S | 28 | Very low | 30.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -68 | 139.3 | 171.3 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 639 | A | 25.5 | Very low | 30.6 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | 175.9 | 138 | 128.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 640 | L | 26.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 37.6 | 124.1 | 135.6 | -58.3 | 167.3 | 0 | 0 | 0 | 121.5 | ||||
| 641 | D | 29 | Very low | 31.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | 66.8 | 142.5 | 138.4 | -88 | 11.3 | 0 | 0 | 0 | 123.1 | ||||
| 642 | K | 27.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | 57.9 | 114.7 | 152.9 | -58.9 | 151.9 | -175 | 134.5 | 0 | 116.3 | ||||
| 643 | D | 28.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | -170.5 | 157.8 | 53.1 | -109.5 | -29.1 | 0 | 0 | 0 | 112.8 | G645 | D643-G645 PolarHBondContact O-N 3.01Š| |||
| 644 | P | 29.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | -89.5 | 41.9 | -175 | 37.6 | -36.7 | 0 | 0 | 0 | 115.2 | ||||
| 645 | G | 36.9 | Very low | 32.2 | Very low | 51 Ų | 51 | 122.2 Ų | 122.2 | 53% | 0.526 | 70% | 0.697 | S | S | . | * | trans | -83.7 | -45.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118 | D643 | D643-G645 PolarHBondContact O-N 3.01Š| ||
| 646 | S | 34.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -8 | -158.3 | 64.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 647 | A | 33.4 | Very low | 32.4 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 60% | 0.603 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.2 | -31.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 648 | Q | 36.8 | Very low | 32.6 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.7 | -33.9 | -174.8 | -66 | 173.5 | -7.7 | 0 | 0 | 112.4 | K650 L651 A652 | Q648-K650 VanDerWaalsContact C-N 3.29Å; Q648-K650 PolarHBondContact O-N 2.74Å; Q648-L651 WeakPolarHBondContact O-CA 3.38Å; Q648-L651 WeakPolarHBondContact O-CB 3.33Å; Q648-L651 PolarHBondContact O-N 2.86Å; Q648-A652 PolarHBondContact O-N 3.07Å |
| 649 | T | 37 | Very low | 32.6 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 53% | 0.534 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -62.7 | -33.1 | -177.7 | -34.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 650 | K | 41.6 | Very low | 32.8 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -78.9 | -18.6 | 174.1 | -70.8 | -176.3 | 178.6 | 175.1 | 0 | 113.5 | Q648 | Q648-K650 VanDerWaalsContact C-N 3.29Å; Q648-K650 PolarHBondContact O-N 2.74Å |
| 651 | L | 38.8 | Very low | 33 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 36% | 0.361 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -82.1 | -30.5 | 171.7 | -97.8 | 68.9 | 0 | 0 | 0 | 112.3 | Q648 | Q648-L651 WeakPolarHBondContact O-CA 3.38Å; Q648-L651 WeakPolarHBondContact O-CB 3.33Å; Q648-L651 PolarHBondContact O-N 2.86Å |
| 652 | A | 36.4 | Very low | 33.3 | Very low | 56 Ų | 56 | 122.5 Ų | 122.5 | 46% | 0.463 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -71.8 | -39.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q648 L654 L655 | Q648-A652 PolarHBondContact O-N 3.07Å; A652-L654 PolarHBondContact O-N 3.43Å; A652-L655 PolarHBondContact O-N 3.35Å |
| 653 | N | 38.1 | Very low | 33.3 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 18 | -175.9 | -67.4 | 5.2 | 0 | 0 | 0 | 115 | ||
| 654 | L | 37.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 10.2 | 175.1 | -74.1 | 169.1 | 0 | 0 | 0 | 112.8 | A652 | A652-L654 PolarHBondContact O-N 3.43Š|
| 655 | L | 29.1 | Very low | 33.3 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 71% | 0.707 | 72% | 0.719 | S | S | * | * | trans | -125 | 99.2 | 180 | -68 | 173.1 | 0 | 0 | 0 | 110.9 | A652 | A652-L655 PolarHBondContact O-N 3.35Š| ||
| 656 | T | 28.5 | Very low | 32.9 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | -163.3 | 74.2 | 167.4 | -6.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 657 | S | 30.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -171.4 | 147.7 | 150.6 | 11.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 658 | S | 30.4 | Very low | 32.6 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | 50.3 | 94.6 | 173.3 | -63.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 659 | S | 27.4 | Very low | 32.3 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -87 | 147.2 | 162.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 660 | Q | 31.3 | Very low | 32 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -147.6 | 157.3 | 145.4 | -111.2 | 171.7 | 2.5 | 0 | 0 | 109.4 | ||||
| 661 | Q | 30 | Very low | 31.4 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -99.9 | 162.4 | -153.1 | -85.4 | 178.3 | -94.3 | 0 | 0 | 115.5 | ||||
| 662 | P | 34.8 | Very low | 31.3 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 160.6 | -171.6 | 37.3 | -36.8 | 0 | 0 | 0 | 114.1 | ||||
| 663 | V | 27.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -153.2 | 141.2 | 161 | -109.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 664 | D | 27.3 | Very low | 32.5 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 55.2 | 140.5 | 158.1 | -76.9 | -44 | 0 | 0 | 0 | 124.7 | ||||
| 665 | D | 31 | Very low | 34.4 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -79.7 | 132.7 | 167.6 | -76 | -66.3 | 0 | 0 | 0 | 111.8 | ||||
| 666 | S | 28.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -163.2 | 137.9 | 149.1 | -85 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 667 | P | 34.2 | Very low | 39.7 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -85.8 | 142.6 | -179.4 | 34.2 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 668 | L | 28.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | trans | 169.6 | 164 | 161.9 | -94.5 | 153.1 | 0 | 0 | 0 | 108.6 | ||||
| 669 | P | 30.2 | Very low | 45.5 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | cis | -120.7 | 169 | -31.8 | 37.8 | -24.8 | 0 | 0 | 0 | 112.5 | ||||
| 670 | N | 30.5 | Very low | 48.5 | Very low | 176 Ų | 176 | 112.9 Ų | 112.9 | 94% | 0.941 | 67% | 0.673 | S | S | * | * | trans | -74.7 | 137.7 | 174.5 | -77.7 | -27.3 | 0 | 0 | 0 | 113.1 | ||||
| 671 | G | 28.7 | Very low | 51.3 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | 151.4 | 138.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 672 | P | 36.2 | Very low | 54.1 | Low | 137 Ų | 137 | 104.5 Ų | 104.5 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | S | Bend | cis | -117 | 146.3 | -29.1 | 36.5 | -24.2 | 0 | 0 | 0 | 112.8 | ||
| 673 | G | 44.6 | Very low | 56.6 | Low | 66 Ų | 66 | 103 Ų | 103 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 111.1 | -0.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 674 | G | 54.9 | Low | 59.1 | Low | 40 Ų | 40 | 99.6 Ų | 99.6 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | trans | -160.7 | 149.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R763 | G674-R763 CarbonylContact C-O 3.49Å; G674-R763 VanDerWaalsContact CA-O 3.31Å; G674-R763 WeakPolarHBondContact CA-O 3.46Å | ||
| 675 | E | 76.7 | Confident | 61.5 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.2 | 180 | -168.4 | -161.9 | 165.3 | 0 | 0 | 111 | R677 C762 R763 | E675-R677 HydrophobicContact CG-CG 4.39Å; E675-R677 IonicContact OE1-NE 3.84Å; E675-R677 IonicContact OE2-CZ 2.67Å; E675-R677 IonicContact OE2-NE 3.78Å; E675-R677 PolarHBondContact OE2-NE 2.93Å; E675-R677 IonicContact OE2-NH2 3.94Å; E675-R677 PolarHBondContact OE2-NH2 3.38Å; E675-C762 CarbonylContact O-C 3.58Å; E675-C762 VanDerWaalsContact O-CA 3.28Å; E675-C762 WeakPolarHBondContact O-CA 3.37Å; E675-R763 PolarHBondContact N-O 2.89Å; E675-R763 PolarHBondContact O-N 3.07Å |
| 676 | V | 82.1 | Confident | 63.3 | Low | 93 Ų | 93 | 100.7 Ų | 100.7 | 56% | 0.564 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.7 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | L731 L761 | V676-L731 HydrophobicContact CG1-CD1 4.04Å; V676-L731 HydrophobicContact CG2-CD1 4.17Å; V676-L761 CarbonylContact C-O 3.58Å; V676-L761 VanDerWaalsContact CA-O 3.3Å; V676-L761 WeakPolarHBondContact CA-O 3.26Å |
| 677 | R | 88.1 | Confident | 65.9 | Low | 73 Ų | 73 | 96.1 Ų | 96.1 | 28% | 0.275 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.9 | 178.3 | -60.4 | -171.8 | -177.5 | 172 | 15.4 | 111.1 | E675 L761 R763 E765 | E675-R677 HydrophobicContact CG-CG 4.39Å; E675-R677 IonicContact OE1-NE 3.84Å; E675-R677 IonicContact OE2-CZ 2.67Å; E675-R677 IonicContact OE2-NE 3.78Å; E675-R677 PolarHBondContact OE2-NE 2.93Å; E675-R677 IonicContact OE2-NH2 3.94Å; E675-R677 PolarHBondContact OE2-NH2 3.38Å; R677-L761 HydrophobicContact CB-CD1 4.08Å; R677-L761 PolarHBondContact N-O 2.85Å; R677-L761 PolarHBondContact O-N 2.92Å; R677-R763 VanDerWaalsContact NH1-NH1 3.11Å; R677-E765 IonicContact CZ-OE1 3.58Å; R677-E765 IonicContact NH2-OE1 2.69Å; R677-E765 PolarHBondContact NH2-OE1 2.8Å |
| 678 | T | 90.5 | Very high | 68.4 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.3 | 173.4 | -50.4 | 0 | 0 | 0 | 0 | 109.8 | Q758 L759 N760 | T678-Q758 HydrophobicContact CG2-CG 3.64Å; T678-L759 CarbonylContact C-O 3.24Å; T678-L759 WeakPolarHBondContact CA-O 3.36Å; T678-N760 WeakPolarHBondContact CB-OD1 3.39Å; T678-N760 WeakPolarHBondContact CG2-OD1 3.43Å; T678-N760 PolarHBondContact OG1-OD1 3.34Å |
| 679 | I | 91.3 | Very high | 71.3 | Confident | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.082 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.7 | -176.8 | -68.1 | -166.6 | 0 | 0 | 0 | 110.4 | V681 A722 G723 L724 L759 L761 | I679-V681 HydrophobicContact CG2-CG2 4.15Å; I679-A722 HydrophobicContact CG2-CB 3.8Å; I679-A722 VanDerWaalsContact CG2-O 3.23Å; I679-A722 WeakPolarHBondContact CG2-O 3.46Å; I679-G723 WeakPolarHBondContact CD1-O 3.33Å; I679-L724 HydrophobicContact CB-CD1 4.34Å; I679-L724 HydrophobicContact CD1-CD1 4.23Å; I679-L724 HydrophobicContact CG2-CD1 4.08Å; I679-L759 PolarHBondContact N-O 2.91Å; I679-L759 PolarHBondContact O-N 3.25Å; I679-L761 HydrophobicContact CB-CD2 4.37Å; I679-L761 HydrophobicContact CD1-CD2 4.11Å; I679-L761 HydrophobicContact CG1-CD2 4.27Å |
| 680 | T | 90.5 | Very high | 74.3 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 104.4 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L756 | T680-L756 HydrophobicContact CG2-CD1 3.83Å; T680-L756 HydrophobicContact CG2-CD2 4.03Å; T680-L756 HydrophobicContact CG2-CG 3.76Å |
| 681 | V | 91 | Very high | 77.1 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.4 | 178.5 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | I679 L688 A718 A722 V757 L759 | I679-V681 HydrophobicContact CG2-CG2 4.15Å; V681-L688 HydrophobicContact CB-CD2 4.14Å; V681-L688 HydrophobicContact CG1-CB 4.42Å; V681-L688 HydrophobicContact CG1-CD2 3.96Å; V681-L688 HydrophobicContact CG1-CG 4.09Å; V681-A718 HydrophobicContact CG1-CB 3.92Å; V681-A722 HydrophobicContact CB-CB 4.43Å; V681-A722 HydrophobicContact CG2-CB 3.94Å; V681-V757 PolarHBondContact N-O 2.95Å; V681-V757 PolarHBondContact O-N 3.07Å; V681-L759 HydrophobicContact CG2-CD1 3.84Å |
| 682 | R | 88.2 | Confident | 80.2 | Confident | 199 Ų | 199 | 72.1 Ų | 72.1 | 75% | 0.751 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.7 | 168.6 | 177.4 | 174.7 | 165.9 | 155.2 | -4.8 | 109.3 | A718 L756 | R682-A718 VanDerWaalsContact O-CB 3.27Å; R682-A718 WeakPolarHBondContact O-CB 3.4Å; R682-L756 HydrophobicContact CB-CD1 4.23Å |
| 683 | R | 86.9 | Confident | 82.6 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | trans | -63.7 | 132.1 | -178 | -155.8 | 169.4 | -170.3 | 165.2 | 0.4 | 110.1 | G687 L688 K751 A753 G754 G755 | R683-G687 WeakPolarHBondContact CA-O 3.49Å; R683-G687 WeakPolarHBondContact CG-O 3.21Å; R683-L688 HydrophobicContact CG-CD1 3.8Å; R683-L688 HydrophobicContact CG-CG 4.36Å; R683-K751 PolarHBondContact NH1-O 3.08Å; R683-K751 PolarHBondContact NH2-O 2.8Å; R683-A753 PolarHBondContact NH1-O 3.15Å; R683-G754 WeakPolarHBondContact CD-O 3.19Å; R683-G754 PolarHBondContact NH1-O 3.29Å; R683-G755 WeakPolarHBondContact CB-O 3.3Å; R683-G755 PolarHBondContact N-O 3Å | ||
| 684 | N | 81.9 | Confident | 84.8 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -111.4 | -177.6 | 177.8 | 76.1 | 6.4 | 0 | 0 | 0 | 111.3 | Q686 G687 | N684-Q686 PolarHBondContact O-N 3.07Å; N684-Q686 VanDerWaalsContact O-N 3.11Å; N684-Q686 WeakPolarHBondContact OD1-CA 3.46Å; N684-Q686 WeakPolarHBondContact OD1-CB 3.35Å; N684-Q686 PolarHBondContact OD1-N 2.82Å; N684-G687 PolarHBondContact N-O 2.96Å; N684-G687 WeakPolarHBondContact O-CA 3.48Å; N684-G687 PolarHBondContact O-N 3.03Å; N684-G687 PolarHBondContact OD1-N 2.95Å; N684-G687 PolarHBondContact OD1-O 3.21Å |
| 685 | D | 76.8 | Confident | 86.3 | Confident | 165 Ų | 165 | 61.8 Ų | 61.8 | 88% | 0.882 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.6 | -177.7 | -42 | -8 | 0 | 0 | 0 | 112.9 | ||
| 686 | Q | 69.5 | Low | 86.3 | Confident | 173 Ų | 173 | 61.6 Ų | 61.6 | 81% | 0.808 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 6.2 | 177.3 | -54.2 | -63.8 | -32.6 | 0 | 0 | 112.6 | N684 | N684-Q686 PolarHBondContact O-N 3.07Å; N684-Q686 VanDerWaalsContact O-N 3.11Å; N684-Q686 WeakPolarHBondContact OD1-CA 3.46Å; N684-Q686 WeakPolarHBondContact OD1-CB 3.35Å; N684-Q686 PolarHBondContact OD1-N 2.82Å |
| 687 | G | 83.1 | Confident | 86 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | 98.7 | -136.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | R683 N684 | R683-G687 WeakPolarHBondContact CA-O 3.49Å; R683-G687 WeakPolarHBondContact CG-O 3.21Å; N684-G687 PolarHBondContact N-O 2.96Å; N684-G687 WeakPolarHBondContact O-CA 3.48Å; N684-G687 PolarHBondContact O-N 3.03Å; N684-G687 PolarHBondContact OD1-N 2.95Å; N684-G687 PolarHBondContact OD1-O 3.21Å |
| 688 | L | 86.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | trans | -95.4 | -19.2 | 172.4 | -82 | 91.9 | 0 | 0 | 0 | 112.9 | V681 R683 L690 A719 V757 | V681-L688 HydrophobicContact CB-CD2 4.14Å; V681-L688 HydrophobicContact CG1-CB 4.42Å; V681-L688 HydrophobicContact CG1-CD2 3.96Å; V681-L688 HydrophobicContact CG1-CG 4.09Å; R683-L688 HydrophobicContact CG-CD1 3.8Å; R683-L688 HydrophobicContact CG-CG 4.36Å; L688-L690 HydrophobicContact CB-CD2 4.05Å; L688-L690 HydrophobicContact CB-CG 3.99Å; L688-L690 HydrophobicContact CD2-CD2 3.83Å; L688-A719 WeakPolarHBondContact O-CB 3.39Å; L688-A719 PolarHBondContact O-N 2.73Å; L688-V757 HydrophobicContact CD1-CG2 4.41Å; L688-V757 HydrophobicContact CD2-CB 4.02Å; L688-V757 HydrophobicContact CD2-CG1 4.09Å; L688-V757 HydrophobicContact CD2-CG2 4.08Å | ||
| 689 | G | 89.1 | Confident | 85.2 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | trans | 65 | 35.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | V714 | G689-V714 WeakPolarHBondContact O-CB 3.45Å; G689-V714 PolarHBondContact O-N 3.36Å | ||
| 690 | L | 92.4 | Very high | 84.6 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.6 | 173.9 | 67.8 | 81.1 | 0 | 0 | 0 | 111.6 | L688 V692 I710 K712 A719 L724 M750 L759 | L688-L690 HydrophobicContact CB-CD2 4.05Å; L688-L690 HydrophobicContact CB-CG 3.99Å; L688-L690 HydrophobicContact CD2-CD2 3.83Å; L690-V692 HydrophobicContact CD1-CG1 4.27Å; L690-I710 HydrophobicContact CD1-CD1 4.38Å; L690-I710 HydrophobicContact CD2-CD1 4.41Å; L690-K712 CarbonylContact C-O 3.42Å; L690-K712 WeakPolarHBondContact CA-O 3.41Å; L690-A719 HydrophobicContact CB-CB 3.9Å; L690-A719 HydrophobicContact CD2-CB 4.21Å; L690-L724 HydrophobicContact CB-CD2 4.06Å; L690-L724 HydrophobicContact CD2-CD2 3.56Å; L690-L724 HydrophobicContact CG-CD2 4.44Å; L690-M750 HydrophobicContact CD1-SD 4.39Å; L690-L759 HydrophobicContact CD2-CD1 4.2Å |
| 691 | S | 91 | Very high | 84.3 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.4 | 165.7 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | I710 S711 K712 | S691-I710 WeakPolarHBondContact O-CA 3.31Å; S691-S711 PolarHBondContact O-N 3.38Å; S691-S711 PolarHBondContact O-OG 2.89Å; S691-K712 PolarHBondContact N-O 3.24Å; S691-K712 PolarHBondContact O-N 3.27Å |
| 692 | V | 91.8 | Very high | 83.7 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.3 | 177 | -80.5 | 0 | 0 | 0 | 0 | 111.6 | L690 V708 F709 I710 S711 L730 V747 M750 | L690-V692 HydrophobicContact CD1-CG1 4.27Å; V692-V708 HydrophobicContact CB-CG1 3.91Å; V692-V708 HydrophobicContact CG1-CG1 3.79Å; V692-F709 CarbonylContact C-O 3.53Å; V692-F709 WeakPolarHBondContact CA-O 3.41Å; V692-I710 HydrophobicContact CG1-CD1 3.81Å; V692-S711 VanDerWaalsContact C-OG 3.29Å; V692-L730 HydrophobicContact CG1-CD2 4.46Å; V692-V747 HydrophobicContact CG2-CG2 4.01Å; V692-M750 HydrophobicContact CB-CE 4.43Å; V692-M750 HydrophobicContact CG1-CE 3.97Å; V692-M750 HydrophobicContact CG1-SD 4.1Å; V692-M750 HydrophobicContact CG2-CE 3.83Å |
| 693 | A | 88.4 | Confident | 83.2 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 172.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y701 F709 | A693-Y701 HydrophobicContact CB-CD2 3.81Å; A693-Y701 HydrophobicContact CB-CG 4.32Å; A693-F709 PolarHBondContact N-O 3.48Å; A693-F709 PolarHBondContact O-N 2.97Å |
| 694 | G | 89.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67 | -170.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S698 S707 H743 | G694-S698 WeakPolarHBondContact CA-OG 3.43Å; G694-S698 PolarHBondContact O-OG 2.83Å; G694-S707 CarbonylContact C-O 3.55Å; G694-S707 WeakPolarHBondContact CA-O 3.27Å; G694-H743 PolarHBondContact O-ND1 3.09Å |
| 695 | G | 86 | Confident | 82.5 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | 102.5 | 153.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G697 S698 P706 S707 I741 | G695-G697 PolarHBondContact O-N 3.24Å; G695-S698 PolarHBondContact O-N 3.36Å; G695-S698 VanDerWaalsContact O-N 3.14Å; G695-S698 PolarHBondContact O-OG 2.94Å; G695-P706 CarbonylContact C-O 3.58Å; G695-P706 WeakPolarHBondContact CA-O 3.5Å; G695-P706 PolarHBondContact N-O 2.63Å; G695-S707 PolarHBondContact N-O 3.25Å; G695-I741 CarbonylContact C-O 3.39Å; G695-I741 WeakPolarHBondContact CA-O 3.49Å | ||
| 696 | L | 78.4 | Confident | 82.7 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -56 | 136.1 | -175.5 | -156.4 | 76.9 | 0 | 0 | 0 | 111.4 | S698 I741 E742 | L696-S698 VanDerWaalsContact C-N 3.26Å; L696-S698 PolarHBondContact O-N 2.82Å; L696-I741 PolarHBondContact N-O 2.81Å; L696-E742 WeakPolarHBondContact O-CA 3.21Å |
| 697 | G | 75.1 | Confident | 83.6 | Confident | 90 Ų | 90 | 47.9 Ų | 47.9 | 93% | 0.928 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 15.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | G695 | G695-G697 PolarHBondContact O-N 3.24Š|
| 698 | S | 83.8 | Confident | 84 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -124.1 | 165.7 | 173.8 | 76.6 | 0 | 0 | 0 | 0 | 112 | G694 G695 L696 P700 | G694-S698 WeakPolarHBondContact CA-OG 3.43Å; G694-S698 PolarHBondContact O-OG 2.83Å; G695-S698 PolarHBondContact O-N 3.36Å; G695-S698 VanDerWaalsContact O-N 3.14Å; G695-S698 PolarHBondContact O-OG 2.94Å; L696-S698 VanDerWaalsContact C-N 3.26Å; L696-S698 PolarHBondContact O-N 2.82Å; S698-P700 WeakPolarHBondContact O-CD 3.27Å |
| 699 | T | 78.7 | Confident | 84.4 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | trans | -61.9 | 120 | 178.1 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | D493 | D493-T699 HydrophobicContact CB-CG2 4.18Å; D493-T699 VanDerWaalsContact OD2-CG2 3.27Å; D493-T699 WeakPolarHBondContact OD2-CG2 3.16Å | ||
| 700 | P | 78.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | trans | -56.7 | 148.9 | -179.7 | -28 | 37 | 0 | 0 | 0 | 113.2 | S698 | S698-P700 WeakPolarHBondContact O-CD 3.27Š| ||
| 701 | Y | 84 | Confident | 84.6 | Confident | 80 Ų | 80 | 45.4 Ų | 45.4 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -86.9 | -44 | -178.7 | 173.8 | -98.6 | 0 | 0 | 0 | 113.4 | A693 F709 V726 | A693-Y701 HydrophobicContact CB-CD2 3.81Å; A693-Y701 HydrophobicContact CB-CG 4.32Å; Y701-F709 HydrophobicContact CD1-CB 3.34Å; Y701-F709 AromaticContact CD1-CD1 3.81Å; Y701-F709 HydrophobicContact CD1-CD1 3.81Å; Y701-F709 HydrophobicContact CD1-CD2 4.04Å; Y701-F709 AromaticContact CD1-CG 3.48Å; Y701-F709 HydrophobicContact CD1-CG 3.48Å; Y701-F709 VanDerWaalsContact CD1-CG 3.48Å; Y701-F709 HydrophobicContact CD2-CB 4.47Å; Y701-F709 HydrophobicContact CE1-CB 4.05Å; Y701-F709 HydrophobicContact CE1-CD1 4.39Å; Y701-F709 HydrophobicContact CE1-CG 4.37Å; Y701-F709 HydrophobicContact CG-CB 3.59Å; Y701-F709 HydrophobicContact CG-CD2 4.27Å; Y701-F709 AromaticContact CG-CG 4Å; Y701-F709 HydrophobicContact CG-CG 4Å; Y701-V726 VanDerWaalsContact OH-CG1 3.24Å; Y701-V726 WeakPolarHBondContact OH-CG1 3.45Å |
| 702 | K | 78.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 49 Ų | 49 | 21% | 0.213 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -136.3 | 151.1 | 170.9 | 77.3 | 178.4 | -170.1 | -172.4 | 0 | 110.3 | N704 D705 F709 D764 | K702-N704 PolarHBondContact O-N 3.36Å; K702-D705 WeakPolarHBondContact O-CB 3.32Å; K702-D705 PolarHBondContact O-N 2.89Å; K702-F709 HydrophobicContact CD-CE1 3.9Å; K702-F709 HydrophobicContact CD-CZ 4.21Å; K702-F709 HydrophobicContact CG-CE1 3.95Å; K702-F709 HydrophobicContact CG-CE2 4.44Å; K702-F709 HydrophobicContact CG-CZ 3.8Å; K702-D764 IonicContact NZ-OD1 3.41Å; K702-D764 PolarHBondContact NZ-OD1 2.96Å; K702-D764 IonicContact NZ-OD2 2.69Å; K702-D764 PolarHBondContact NZ-OD2 2.94Å |
| 703 | D | 77.6 | Confident | 84.6 | Confident | 134 Ų | 134 | 49 Ų | 49 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 30.7 | 165.2 | -59.1 | -66.3 | 0 | 0 | 0 | 117.5 | D705 | D703-D705 PolarHBondContact O-N 3.01Š|
| 704 | N | 71.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 15.7 | -176.5 | -140 | 53.2 | 0 | 0 | 0 | 114.4 | K702 P706 | K702-N704 PolarHBondContact O-N 3.36Å; N704-P706 WeakPolarHBondContact O-CD 3.44Å |
| 705 | D | 81.5 | Confident | 84.3 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -75.1 | 118.8 | 179.1 | -174 | -17.2 | 0 | 0 | 0 | 111 | K702 D703 S707 F709 K729 | K702-D705 WeakPolarHBondContact O-CB 3.32Å; K702-D705 PolarHBondContact O-N 2.89Å; D703-D705 PolarHBondContact O-N 3.01Å; D705-S707 PolarHBondContact O-N 2.93Å; D705-S707 WeakPolarHBondContact OD1-CB 3.4Å; D705-S707 PolarHBondContact OD1-N 3.49Å; D705-S707 PolarHBondContact OD1-OG 2.87Å; D705-F709 HydrophobicContact CB-CE2 3.9Å; D705-F709 HydrophobicContact CB-CZ 3.99Å; D705-F709 WeakPolarHBondContact OD2-CZ 3.39Å; D705-K729 IonicContact OD1-NZ 2.74Å; D705-K729 IonicContact OD2-NZ 2.64Å; D705-K729 PolarHBondContact OD2-NZ 3.47Å | ||
| 706 | P | 82.1 | Confident | 84.1 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -76.8 | 2.5 | -179 | 33.9 | -37.5 | 0 | 0 | 0 | 113.9 | G695 N704 | G695-P706 CarbonylContact C-O 3.58Å; G695-P706 WeakPolarHBondContact CA-O 3.5Å; G695-P706 PolarHBondContact N-O 2.63Å; N704-P706 WeakPolarHBondContact O-CD 3.44Å | ||
| 707 | S | 88.3 | Confident | 84.4 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -64.1 | 164.7 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | G694 G695 D705 F709 K729 | G694-S707 CarbonylContact C-O 3.55Å; G694-S707 WeakPolarHBondContact CA-O 3.27Å; G695-S707 PolarHBondContact N-O 3.25Å; D705-S707 PolarHBondContact O-N 2.93Å; D705-S707 WeakPolarHBondContact OD1-CB 3.4Å; D705-S707 PolarHBondContact OD1-N 3.49Å; D705-S707 PolarHBondContact OD1-OG 2.87Å; S707-F709 VanDerWaalsContact O-CD2 3.3Å; S707-F709 WeakPolarHBondContact O-CD2 3.13Å; S707-K729 WeakPolarHBondContact OG-CE 3.4Å; S707-K729 PolarHBondContact OG-NZ 3.31Å; S707-K729 VanDerWaalsContact OG-NZ 3.16Å |
| 708 | V | 92.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.3 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | V692 L730 A746 M750 | V692-V708 HydrophobicContact CB-CG1 3.91Å; V692-V708 HydrophobicContact CG1-CG1 3.79Å; V708-L730 HydrophobicContact CB-CB 4.17Å; V708-L730 HydrophobicContact CG1-CB 4.17Å; V708-L730 HydrophobicContact CG1-CD2 4.16Å; V708-L730 WeakPolarHBondContact O-CB 3.04Å; V708-L730 PolarHBondContact O-N 3.46Å; V708-A746 HydrophobicContact CG1-CB 4.31Å; V708-A746 HydrophobicContact CG2-CB 3.73Å; V708-M750 HydrophobicContact CG1-CE 4.46Å |
| 709 | F | 94.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149 | -178.8 | -71 | -93.8 | 0 | 0 | 0 | 111.9 | V692 A693 Y701 K702 D705 S707 S711 D728 K729 | V692-F709 CarbonylContact C-O 3.53Å; V692-F709 WeakPolarHBondContact CA-O 3.41Å; A693-F709 PolarHBondContact N-O 3.48Å; A693-F709 PolarHBondContact O-N 2.97Å; Y701-F709 HydrophobicContact CD1-CB 3.34Å; Y701-F709 AromaticContact CD1-CD1 3.81Å; Y701-F709 HydrophobicContact CD1-CD1 3.81Å; Y701-F709 HydrophobicContact CD1-CD2 4.04Å; Y701-F709 AromaticContact CD1-CG 3.48Å; Y701-F709 HydrophobicContact CD1-CG 3.48Å; Y701-F709 VanDerWaalsContact CD1-CG 3.48Å; Y701-F709 HydrophobicContact CD2-CB 4.47Å; Y701-F709 HydrophobicContact CE1-CB 4.05Å; Y701-F709 HydrophobicContact CE1-CD1 4.39Å; Y701-F709 HydrophobicContact CE1-CG 4.37Å; Y701-F709 HydrophobicContact CG-CB 3.59Å; Y701-F709 HydrophobicContact CG-CD2 4.27Å; Y701-F709 AromaticContact CG-CG 4Å; Y701-F709 HydrophobicContact CG-CG 4Å; K702-F709 HydrophobicContact CD-CE1 3.9Å; K702-F709 HydrophobicContact CD-CZ 4.21Å; K702-F709 HydrophobicContact CG-CE1 3.95Å; K702-F709 HydrophobicContact CG-CE2 4.44Å; K702-F709 HydrophobicContact CG-CZ 3.8Å; D705-F709 HydrophobicContact CB-CE2 3.9Å; D705-F709 HydrophobicContact CB-CZ 3.99Å; D705-F709 WeakPolarHBondContact OD2-CZ 3.39Å; S707-F709 VanDerWaalsContact O-CD2 3.3Å; S707-F709 WeakPolarHBondContact O-CD2 3.13Å; F709-S711 PolarHBondContact O-N 3.07Å; F709-D728 CarbonylContact C-O 3.52Å; F709-D728 WeakPolarHBondContact CA-O 3.08Å; F709-K729 HydrophobicContact CD1-CB 3.83Å; F709-K729 HydrophobicContact CD1-CG 4.35Å; F709-K729 HydrophobicContact CE1-CB 3.55Å; F709-K729 HydrophobicContact CE1-CD 4.02Å; F709-K729 HydrophobicContact CE1-CG 3.87Å; F709-K729 HydrophobicContact CZ-CB 4.26Å; F709-K729 HydrophobicContact CZ-CD 3.93Å; F709-K729 HydrophobicContact CZ-CG 4.06Å |
| 710 | I | 93.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 105.2 | 169.5 | -56.1 | -55.9 | 0 | 0 | 0 | 109.1 | L690 S691 V692 V713 L724 K725 V726 G727 D728 L730 | L690-I710 HydrophobicContact CD1-CD1 4.38Å; L690-I710 HydrophobicContact CD2-CD1 4.41Å; S691-I710 WeakPolarHBondContact O-CA 3.31Å; V692-I710 HydrophobicContact CG1-CD1 3.81Å; I710-V713 HydrophobicContact CG2-CG2 3.57Å; I710-L724 HydrophobicContact CD1-CD2 3.75Å; I710-L724 HydrophobicContact CD1-CG 4.48Å; I710-L724 HydrophobicContact CG1-CD1 4.49Å; I710-L724 HydrophobicContact CG1-CD2 3.86Å; I710-L724 HydrophobicContact CG1-CG 4.1Å; I710-L724 HydrophobicContact CG2-CD2 4.08Å; I710-L724 HydrophobicContact CG2-CG 4.47Å; I710-K725 WeakPolarHBondContact CB-O 3.35Å; I710-K725 WeakPolarHBondContact CG2-O 3.04Å; I710-V726 WeakPolarHBondContact O-CA 3.01Å; I710-G727 PolarHBondContact O-N 3.5Å; I710-D728 HydrophobicContact CB-CB 4.13Å; I710-D728 HydrophobicContact CG1-CB 3.77Å; I710-D728 PolarHBondContact N-O 3.47Å; I710-L730 HydrophobicContact CD1-CD1 4.16Å |
| 711 | S | 91.9 | Very high | 86.6 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -18.6 | -177.4 | 59 | 0 | 0 | 0 | 0 | 113.8 | S691 V692 F709 | S691-S711 PolarHBondContact O-N 3.38Å; S691-S711 PolarHBondContact O-OG 2.89Å; V692-S711 VanDerWaalsContact C-OG 3.29Å; F709-S711 PolarHBondContact O-N 3.07Å |
| 712 | K | 91.6 | Very high | 86.9 | Confident | 128 Ų | 128 | 50.2 Ų | 50.2 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153 | 141.9 | 172 | -165.9 | 169 | -177.4 | 168.6 | 0 | 110.3 | L690 S691 | L690-K712 CarbonylContact C-O 3.42Å; L690-K712 WeakPolarHBondContact CA-O 3.41Å; S691-K712 PolarHBondContact N-O 3.24Å; S691-K712 PolarHBondContact O-N 3.27Å |
| 713 | V | 91.5 | Very high | 87.5 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.6 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | I710 A719 D720 L724 V726 | I710-V713 HydrophobicContact CG2-CG2 3.57Å; V713-A719 HydrophobicContact CG1-CB 4.19Å; V713-D720 HydrophobicContact CG1-CB 3.63Å; V713-L724 HydrophobicContact CG2-CB 4.5Å; V713-V726 HydrophobicContact CB-CG2 4.31Å; V713-V726 HydrophobicContact CG2-CG2 4.04Å |
| 714 | V | 88.6 | Confident | 88.2 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | trans | -86.7 | 113.2 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | G689 G716 G717 D720 | G689-V714 WeakPolarHBondContact O-CB 3.45Å; G689-V714 PolarHBondContact O-N 3.36Å; V714-G716 PolarHBondContact O-N 3.22Å; V714-G717 VanDerWaalsContact O-CA 3.31Å; V714-G717 WeakPolarHBondContact O-CA 3.26Å; V714-G717 PolarHBondContact O-N 2.76Å; V714-D720 WeakPolarHBondContact O-CB 3.4Å | ||
| 715 | E | 82.2 | Confident | 89.1 | Confident | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.612 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 126.8 | 175.8 | -168.1 | 178.3 | 173.3 | 0 | 0 | 110.9 | G717 D720 K818 | E715-G717 PolarHBondContact O-N 2.67Å; E715-D720 WeakPolarHBondContact CA-OD2 3.49Å; E715-K818 IonicContact OE1-NZ 3.47Å; E715-K818 WeakPolarHBondContact OE2-CE 3.31Å; E715-K818 IonicContact OE2-NZ 3.15Å; E715-K818 PolarHBondContact OE2-NZ 3.47Å |
| 716 | G | 81.8 | Confident | 89.6 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 1.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V714 D720 | V714-G716 PolarHBondContact O-N 3.22Å; G716-D720 PolarHBondContact N-OD2 3.36Å |
| 717 | G | 85.5 | Confident | 89.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -78.7 | 167.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V714 E715 A719 D720 L721 | V714-G717 VanDerWaalsContact O-CA 3.31Å; V714-G717 WeakPolarHBondContact O-CA 3.26Å; V714-G717 PolarHBondContact O-N 2.76Å; E715-G717 PolarHBondContact O-N 2.67Å; G717-A719 VanDerWaalsContact C-N 3.26Å; G717-A719 PolarHBondContact O-N 2.84Å; G717-A719 VanDerWaalsContact O-N 3.15Å; G717-D720 PolarHBondContact O-N 3.37Å; G717-L721 WeakPolarHBondContact O-CG 3.47Å; G717-L721 PolarHBondContact O-N 3.05Å |
| 718 | A | 89.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.2 | -36.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V681 R682 A722 | V681-A718 HydrophobicContact CG1-CB 3.92Å; R682-A718 VanDerWaalsContact O-CB 3.27Å; R682-A718 WeakPolarHBondContact O-CB 3.4Å; A718-A722 WeakPolarHBondContact O-CB 3.47Å; A718-A722 PolarHBondContact O-N 3.3Å |
| 719 | A | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L688 L690 V713 G717 A722 G723 L724 | L688-A719 WeakPolarHBondContact O-CB 3.39Å; L688-A719 PolarHBondContact O-N 2.73Å; L690-A719 HydrophobicContact CB-CB 3.9Å; L690-A719 HydrophobicContact CD2-CB 4.21Å; V713-A719 HydrophobicContact CG1-CB 4.19Å; G717-A719 VanDerWaalsContact C-N 3.26Å; G717-A719 PolarHBondContact O-N 2.84Å; G717-A719 VanDerWaalsContact O-N 3.15Å; A719-A722 PolarHBondContact O-N 3.11Å; A719-G723 PolarHBondContact O-N 2.99Å; A719-L724 HydrophobicContact CB-CB 4.05Å; A719-L724 HydrophobicContact CB-CD2 3.76Å; A719-L724 WeakPolarHBondContact O-CB 3.45Å; A719-L724 PolarHBondContact O-N 2.94Å |
| 720 | D | 92.3 | Very high | 90.1 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 178.1 | -167.4 | 32.3 | 0 | 0 | 0 | 111 | V713 V714 E715 G716 G717 A722 G723 K725 | V713-D720 HydrophobicContact CG1-CB 3.63Å; V714-D720 WeakPolarHBondContact O-CB 3.4Å; E715-D720 WeakPolarHBondContact CA-OD2 3.49Å; G716-D720 PolarHBondContact N-OD2 3.36Å; G717-D720 PolarHBondContact O-N 3.37Å; D720-A722 PolarHBondContact O-N 3.23Å; D720-A722 VanDerWaalsContact O-N 3.16Å; D720-G723 PolarHBondContact O-N 3.39Å; D720-K725 IonicContact OD1-NZ 3.57Å; D720-K725 PolarHBondContact OD1-NZ 2.94Å |
| 721 | L | 88.5 | Confident | 90.1 | Very high | 139 Ų | 139 | 47.3 Ų | 47.3 | 73% | 0.728 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.3 | -19.9 | 172.8 | -65.2 | 173 | 0 | 0 | 0 | 113.2 | G717 | G717-L721 WeakPolarHBondContact O-CG 3.47Å; G717-L721 PolarHBondContact O-N 3.05Å |
| 722 | A | 89.9 | Confident | 90.2 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I679 V681 A718 A719 D720 | I679-A722 HydrophobicContact CG2-CB 3.8Å; I679-A722 VanDerWaalsContact CG2-O 3.23Å; I679-A722 WeakPolarHBondContact CG2-O 3.46Å; V681-A722 HydrophobicContact CB-CB 4.43Å; V681-A722 HydrophobicContact CG2-CB 3.94Å; A718-A722 WeakPolarHBondContact O-CB 3.47Å; A718-A722 PolarHBondContact O-N 3.3Å; A719-A722 PolarHBondContact O-N 3.11Å; D720-A722 PolarHBondContact O-N 3.23Å; D720-A722 VanDerWaalsContact O-N 3.16Å |
| 723 | G | 90 | Very high | 90.3 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I679 A719 D720 R763 | I679-G723 WeakPolarHBondContact CD1-O 3.33Å; A719-G723 PolarHBondContact O-N 2.99Å; D720-G723 PolarHBondContact O-N 3.39Å; G723-R763 PolarHBondContact O-NH2 2.99Å |
| 724 | L | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -66.6 | 143.6 | 173.1 | -150.9 | 76.6 | 0 | 0 | 0 | 110 | I679 L690 I710 V713 A719 L759 L761 | I679-L724 HydrophobicContact CB-CD1 4.34Å; I679-L724 HydrophobicContact CD1-CD1 4.23Å; I679-L724 HydrophobicContact CG2-CD1 4.08Å; L690-L724 HydrophobicContact CB-CD2 4.06Å; L690-L724 HydrophobicContact CD2-CD2 3.56Å; L690-L724 HydrophobicContact CG-CD2 4.44Å; I710-L724 HydrophobicContact CD1-CD2 3.75Å; I710-L724 HydrophobicContact CD1-CG 4.48Å; I710-L724 HydrophobicContact CG1-CD1 4.49Å; I710-L724 HydrophobicContact CG1-CD2 3.86Å; I710-L724 HydrophobicContact CG1-CG 4.1Å; I710-L724 HydrophobicContact CG2-CD2 4.08Å; I710-L724 HydrophobicContact CG2-CG 4.47Å; V713-L724 HydrophobicContact CG2-CB 4.5Å; A719-L724 HydrophobicContact CB-CB 4.05Å; A719-L724 HydrophobicContact CB-CD2 3.76Å; A719-L724 WeakPolarHBondContact O-CB 3.45Å; A719-L724 PolarHBondContact O-N 2.94Å; L724-L759 HydrophobicContact CD1-CD1 3.83Å; L724-L759 HydrophobicContact CD2-CD1 4.23Å; L724-L761 HydrophobicContact CD1-CD2 3.37Å | ||
| 725 | K | 91.5 | Very high | 90 | Very high | 93 Ų | 93 | 42 Ų | 42 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | trans | -132.2 | 154.3 | -179.1 | -61.7 | -62.9 | 159.1 | -159.1 | 0 | 112.1 | I710 D720 G727 D728 | I710-K725 WeakPolarHBondContact CB-O 3.35Å; I710-K725 WeakPolarHBondContact CG2-O 3.04Å; D720-K725 IonicContact OD1-NZ 3.57Å; D720-K725 PolarHBondContact OD1-NZ 2.94Å; K725-G727 PolarHBondContact O-N 3.35Å; K725-D728 PolarHBondContact N-OD2 2.86Å; K725-D728 WeakPolarHBondContact O-CB 3.32Å; K725-D728 PolarHBondContact O-N 2.98Å | ||
| 726 | V | 90.6 | Very high | 90.1 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 49% | 0.485 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 129.8 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | Y701 I710 V713 | Y701-V726 VanDerWaalsContact OH-CG1 3.24Å; Y701-V726 WeakPolarHBondContact OH-CG1 3.45Å; I710-V726 WeakPolarHBondContact O-CA 3.01Å; V713-V726 HydrophobicContact CB-CG2 4.31Å; V713-V726 HydrophobicContact CG2-CG2 4.04Å |
| 727 | G | 88.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -14.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I710 K725 K729 | I710-G727 PolarHBondContact O-N 3.5Å; K725-G727 PolarHBondContact O-N 3.35Å; G727-K729 PolarHBondContact O-N 2.83Å |
| 728 | D | 93.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | trans | -59.2 | 125.1 | 176.3 | -74.2 | -15.8 | 0 | 0 | 0 | 111.4 | F709 I710 K725 L761 R763 | F709-D728 CarbonylContact C-O 3.52Å; F709-D728 WeakPolarHBondContact CA-O 3.08Å; I710-D728 HydrophobicContact CB-CB 4.13Å; I710-D728 HydrophobicContact CG1-CB 3.77Å; I710-D728 PolarHBondContact N-O 3.47Å; K725-D728 PolarHBondContact N-OD2 2.86Å; K725-D728 WeakPolarHBondContact O-CB 3.32Å; K725-D728 PolarHBondContact O-N 2.98Å; D728-L761 HydrophobicContact CB-CB 4.39Å; D728-L761 HydrophobicContact CB-CD1 4Å; D728-L761 HydrophobicContact CB-CD2 4.02Å; D728-L761 HydrophobicContact CB-CG 4.36Å; D728-R763 VanDerWaalsContact CG-NH2 3.33Å; D728-R763 IonicContact OD1-CZ 3.66Å; D728-R763 VanDerWaalsContact OD1-CZ 3.3Å; D728-R763 IonicContact OD1-NE 3.66Å; D728-R763 PolarHBondContact OD1-NE 3.23Å; D728-R763 IonicContact OD1-NH2 2.75Å; D728-R763 PolarHBondContact OD1-NH2 2.85Å; D728-R763 VanDerWaalsContact OD1-NH2 3.07Å; D728-R763 IonicContact OD2-CZ 3.26Å; D728-R763 IonicContact OD2-NE 3.98Å; D728-R763 IonicContact OD2-NH2 2.69Å; D728-R763 PolarHBondContact OD2-NH2 3.09Å | ||
| 729 | K | 93.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.4 | 178.4 | 178.5 | 169.2 | 170.3 | 156.3 | 0 | 110.5 | D705 S707 F709 G727 L761 C762 | D705-K729 IonicContact OD1-NZ 2.74Å; D705-K729 IonicContact OD2-NZ 2.64Å; D705-K729 PolarHBondContact OD2-NZ 3.47Å; S707-K729 WeakPolarHBondContact OG-CE 3.4Å; S707-K729 PolarHBondContact OG-NZ 3.31Å; S707-K729 VanDerWaalsContact OG-NZ 3.16Å; F709-K729 HydrophobicContact CD1-CB 3.83Å; F709-K729 HydrophobicContact CD1-CG 4.35Å; F709-K729 HydrophobicContact CE1-CB 3.55Å; F709-K729 HydrophobicContact CE1-CD 4.02Å; F709-K729 HydrophobicContact CE1-CG 3.87Å; F709-K729 HydrophobicContact CZ-CB 4.26Å; F709-K729 HydrophobicContact CZ-CD 3.93Å; F709-K729 HydrophobicContact CZ-CG 4.06Å; G727-K729 PolarHBondContact O-N 2.83Å; K729-L761 CarbonylContact O-C 3.59Å; K729-L761 WeakPolarHBondContact O-CA 3.35Å; K729-L761 VanDerWaalsContact O-CB 3.31Å; K729-L761 WeakPolarHBondContact O-CB 3.24Å; K729-C762 HydrophobicContact CB-CB 4.25Å; K729-C762 PolarHBondContact N-O 3.39Å; K729-C762 PolarHBondContact O-N 2.75Å |
| 730 | L | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.8 | -174.5 | -142.5 | 65.1 | 0 | 0 | 0 | 111.5 | V692 V708 I710 V733 V738 M750 L759 L761 | V692-L730 HydrophobicContact CG1-CD2 4.46Å; V708-L730 HydrophobicContact CB-CB 4.17Å; V708-L730 HydrophobicContact CG1-CB 4.17Å; V708-L730 HydrophobicContact CG1-CD2 4.16Å; V708-L730 WeakPolarHBondContact O-CB 3.04Å; V708-L730 PolarHBondContact O-N 3.46Å; I710-L730 HydrophobicContact CD1-CD1 4.16Å; L730-V733 HydrophobicContact CD2-CG2 3.91Å; L730-V733 HydrophobicContact CG-CG2 4.37Å; L730-V738 HydrophobicContact CB-CG2 3.9Å; L730-V738 HydrophobicContact CD2-CG2 4.1Å; L730-V738 HydrophobicContact CG-CG2 3.92Å; L730-M750 HydrophobicContact CD2-CE 3.93Å; L730-M750 HydrophobicContact CD2-SD 3.78Å; L730-L759 HydrophobicContact CD1-CB 4.16Å; L730-L759 HydrophobicContact CD1-CD1 4.37Å; L730-L759 HydrophobicContact CD1-CD2 4.24Å; L730-L759 HydrophobicContact CD1-CG 4.49Å; L730-L761 HydrophobicContact CD1-CB 4.38Å |
| 731 | L | 92.9 | Very high | 89.9 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -46.8 | -177.9 | -57.8 | 177.2 | 0 | 0 | 0 | 112.1 | V676 V738 V739 N760 C762 | V676-L731 HydrophobicContact CG1-CD1 4.04Å; V676-L731 HydrophobicContact CG2-CD1 4.17Å; L731-V738 PolarHBondContact O-N 2.97Å; L731-V739 HydrophobicContact CD2-CG2 4.26Å; L731-N760 WeakPolarHBondContact CA-O 3.37Å; L731-N760 HydrophobicContact CB-CB 4.35Å; L731-N760 WeakPolarHBondContact CB-O 3.49Å; L731-N760 PolarHBondContact N-O 2.9Å; L731-C762 HydrophobicContact CD1-CB 4.23Å |
| 732 | S | 93.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 156.9 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | R736 L759 N760 | S732-R736 CarbonylContact C-O 3.43Å; S732-R736 WeakPolarHBondContact CA-O 3.32Å; S732-R736 VanDerWaalsContact CB-O 3.22Å; S732-R736 WeakPolarHBondContact CB-O 3.17Å; S732-L759 WeakPolarHBondContact O-CA 3.36Å; S732-N760 PolarHBondContact N-O 2.73Å; S732-N760 PolarHBondContact O-N 2.04Å; S732-N760 WeakPolarHBondContact OG-CB 3.35Å; S732-N760 PolarHBondContact OG-ND2 3.17Å |
| 733 | V | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.1 | -177.2 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | L730 G735 R736 V738 I749 M750 A753 V757 Q758 L759 | L730-V733 HydrophobicContact CD2-CG2 3.91Å; L730-V733 HydrophobicContact CG-CG2 4.37Å; V733-G735 PolarHBondContact O-N 3.14Å; V733-R736 PolarHBondContact N-O 3.14Å; V733-R736 WeakPolarHBondContact O-CB 3.14Å; V733-R736 PolarHBondContact O-N 3.46Å; V733-V738 HydrophobicContact CB-CG1 4.36Å; V733-V738 HydrophobicContact CG2-CG1 3.75Å; V733-V738 HydrophobicContact CG2-CG2 4.34Å; V733-I749 HydrophobicContact CB-CG2 3.84Å; V733-I749 HydrophobicContact CG1-CG2 4.05Å; V733-M750 HydrophobicContact CG1-CG 4.12Å; V733-M750 HydrophobicContact CG2-CG 4.07Å; V733-A753 HydrophobicContact CG1-CB 4.03Å; V733-V757 HydrophobicContact CG1-CG1 3.85Å; V733-Q758 CarbonylContact C-O 3.54Å; V733-Q758 WeakPolarHBondContact CA-O 3.35Å; V733-L759 HydrophobicContact CB-CD2 4.27Å; V733-L759 HydrophobicContact CG1-CD2 3.98Å; V733-L759 HydrophobicContact CG2-CD2 3.76Å |
| 734 | N | 91.6 | Very high | 89.7 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 48.2 | -170.8 | -70.2 | 5.5 | 0 | 0 | 0 | 112.2 | R736 L756 V757 Q758 | N734-R736 PolarHBondContact O-N 2.94Å; N734-L756 PolarHBondContact ND2-O 3.03Å; N734-V757 WeakPolarHBondContact OD1-CA 3.25Å; N734-Q758 PolarHBondContact N-O 3.39Å; N734-Q758 PolarHBondContact OD1-N 3.37Å |
| 735 | G | 82.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -7.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | V733 | V733-G735 PolarHBondContact O-N 3.14Š|
| 736 | R | 83.6 | Confident | 89.3 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.7 | 175.2 | -67.3 | -176.2 | 158.6 | -153.6 | -13.5 | 110.5 | S732 V733 N734 I749 | S732-R736 CarbonylContact C-O 3.43Å; S732-R736 WeakPolarHBondContact CA-O 3.32Å; S732-R736 VanDerWaalsContact CB-O 3.22Å; S732-R736 WeakPolarHBondContact CB-O 3.17Å; V733-R736 PolarHBondContact N-O 3.14Å; V733-R736 WeakPolarHBondContact O-CB 3.14Å; V733-R736 PolarHBondContact O-N 3.46Å; N734-R736 PolarHBondContact O-N 2.94Å; R736-I749 HydrophobicContact CB-CG2 4.33Å |
| 737 | S | 89.5 | Confident | 89.3 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 138.8 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | V739 | S737-V739 PolarHBondContact OG-N 3.26Å |
| 738 | V | 89.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -119.8 | 14.2 | 170 | -60 | 0 | 0 | 0 | 0 | 112.3 | L730 L731 V733 I741 I749 | L730-V738 HydrophobicContact CB-CG2 3.9Å; L730-V738 HydrophobicContact CD2-CG2 4.1Å; L730-V738 HydrophobicContact CG-CG2 3.92Å; L731-V738 PolarHBondContact O-N 2.97Å; V733-V738 HydrophobicContact CB-CG1 4.36Å; V733-V738 HydrophobicContact CG2-CG1 3.75Å; V733-V738 HydrophobicContact CG2-CG2 4.34Å; V738-I741 HydrophobicContact CB-CD1 3.75Å; V738-I741 HydrophobicContact CB-CG1 4.26Å; V738-I741 HydrophobicContact CG1-CD1 3.76Å; V738-I749 HydrophobicContact CG1-CD1 4.25Å; V738-I749 HydrophobicContact CG1-CG2 4.4Å | ||
| 739 | V | 86.9 | Confident | 89 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 136.7 | 169.4 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | L731 S737 I741 | L731-V739 HydrophobicContact CD2-CG2 4.26Å; S737-V739 PolarHBondContact OG-N 3.26Å; V739-I741 PolarHBondContact O-N 2.9Å |
| 740 | N | 83.8 | Confident | 88.7 | Confident | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 23.1 | 177.4 | -62 | -17.7 | 0 | 0 | 0 | 116.4 | ||
| 741 | I | 88.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | trans | -100.7 | 155.3 | 173.8 | 71.8 | 174 | 0 | 0 | 0 | 112.1 | G695 L696 V738 V739 K745 A746 I749 | G695-I741 CarbonylContact C-O 3.39Å; G695-I741 WeakPolarHBondContact CA-O 3.49Å; L696-I741 PolarHBondContact N-O 2.81Å; V738-I741 HydrophobicContact CB-CD1 3.75Å; V738-I741 HydrophobicContact CB-CG1 4.26Å; V738-I741 HydrophobicContact CG1-CD1 3.76Å; V739-I741 PolarHBondContact O-N 2.9Å; I741-K745 HydrophobicContact CB-CB 4.31Å; I741-K745 HydrophobicContact CD1-CB 4.19Å; I741-K745 HydrophobicContact CG1-CB 4.47Å; I741-A746 HydrophobicContact CD1-CB 3.84Å; I741-A746 HydrophobicContact CG1-CB 4.16Å; I741-I749 HydrophobicContact CD1-CD1 3.7Å | ||
| 742 | E | 87.7 | Confident | 87.9 | Confident | 113 Ų | 113 | 61 Ų | 61 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 148.2 | 172.4 | -67.7 | -177.2 | -167 | 0 | 0 | 112.4 | L696 S744 K745 A746 | L696-E742 WeakPolarHBondContact O-CA 3.21Å; E742-S744 WeakPolarHBondContact CB-OG 3.14Å; E742-S744 PolarHBondContact O-N 3.38Å; E742-S744 PolarHBondContact OE2-OG 3.45Å; E742-K745 HydrophobicContact CB-CB 4.29Å; E742-K745 WeakPolarHBondContact O-CA 3.17Å; E742-K745 WeakPolarHBondContact O-CB 3.39Å; E742-K745 PolarHBondContact O-N 2.77Å; E742-A746 PolarHBondContact O-N 3.33Å |
| 743 | H | 88.8 | Confident | 87 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.9 | -39.3 | 171.8 | -176.5 | 91.7 | 0 | 0 | 0 | 112.6 | G694 K745 A746 V747 | G694-H743 PolarHBondContact O-ND1 3.09Å; H743-K745 VanDerWaalsContact C-N 3.29Å; H743-K745 PolarHBondContact O-N 2.88Å; H743-A746 PolarHBondContact O-N 2.66Å; H743-V747 WeakPolarHBondContact O-CG2 3.48Å; H743-V747 PolarHBondContact O-N 2.87Å; H743-V747 VanDerWaalsContact O-N 3.1Å |
| 744 | S | 87.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53 | -46 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | E742 E748 | E742-S744 WeakPolarHBondContact CB-OG 3.14Å; E742-S744 PolarHBondContact O-N 3.38Å; E742-S744 PolarHBondContact OE2-OG 3.45Å; S744-E748 PolarHBondContact O-N 3.14Å |
| 745 | K | 87 | Confident | 85.8 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77 | -38 | -174.9 | -147.9 | 73.4 | -175.7 | 158.5 | 0 | 112 | I741 E742 H743 E748 I749 | I741-K745 HydrophobicContact CB-CB 4.31Å; I741-K745 HydrophobicContact CD1-CB 4.19Å; I741-K745 HydrophobicContact CG1-CB 4.47Å; E742-K745 HydrophobicContact CB-CB 4.29Å; E742-K745 WeakPolarHBondContact O-CA 3.17Å; E742-K745 WeakPolarHBondContact O-CB 3.39Å; E742-K745 PolarHBondContact O-N 2.77Å; H743-K745 VanDerWaalsContact C-N 3.29Å; H743-K745 PolarHBondContact O-N 2.88Å; K745-E748 WeakPolarHBondContact CD-OE2 3.48Å; K745-E748 WeakPolarHBondContact CE-OE2 3.35Å; K745-E748 IonicContact NZ-OE2 3.49Å; K745-E748 PolarHBondContact NZ-OE2 3.35Å; K745-E748 WeakPolarHBondContact O-CB 3.23Å; K745-E748 PolarHBondContact O-N 2.92Å; K745-I749 WeakPolarHBondContact O-CG1 3.22Å; K745-I749 PolarHBondContact O-N 2.87Å |
| 746 | A | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V708 I741 E742 H743 E748 I749 M750 | V708-A746 HydrophobicContact CG1-CB 4.31Å; V708-A746 HydrophobicContact CG2-CB 3.73Å; I741-A746 HydrophobicContact CD1-CB 3.84Å; I741-A746 HydrophobicContact CG1-CB 4.16Å; E742-A746 PolarHBondContact O-N 3.33Å; H743-A746 PolarHBondContact O-N 2.66Å; A746-E748 VanDerWaalsContact C-N 3.33Å; A746-E748 PolarHBondContact O-N 3.33Å; A746-I749 PolarHBondContact O-N 2.93Å; A746-M750 HydrophobicContact CB-CE 4.01Å; A746-M750 WeakPolarHBondContact O-CE 3.38Å; A746-M750 PolarHBondContact O-N 3.32Å |
| 747 | V | 89.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 22% | 0.218 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | V692 H743 K751 | V692-V747 HydrophobicContact CG2-CG2 4.01Å; H743-V747 WeakPolarHBondContact O-CG2 3.48Å; H743-V747 PolarHBondContact O-N 2.87Å; H743-V747 VanDerWaalsContact O-N 3.1Å; V747-K751 HydrophobicContact CG1-CD 3.99Å; V747-K751 VanDerWaalsContact CG1-CE 3.47Å; V747-K751 WeakPolarHBondContact O-CB 3.26Å; V747-K751 WeakPolarHBondContact O-CD 3.47Å; V747-K751 WeakPolarHBondContact O-CG 3.22Å; V747-K751 PolarHBondContact O-N 2.76Å |
| 748 | E | 88.3 | Confident | 86.3 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 171.8 | -176.3 | 174.4 | -130.6 | 0 | 0 | 111.8 | S744 K745 A746 K751 L752 | S744-E748 PolarHBondContact O-N 3.14Å; K745-E748 WeakPolarHBondContact CD-OE2 3.48Å; K745-E748 WeakPolarHBondContact CE-OE2 3.35Å; K745-E748 IonicContact NZ-OE2 3.49Å; K745-E748 PolarHBondContact NZ-OE2 3.35Å; K745-E748 WeakPolarHBondContact O-CB 3.23Å; K745-E748 PolarHBondContact O-N 2.92Å; A746-E748 VanDerWaalsContact C-N 3.33Å; A746-E748 PolarHBondContact O-N 3.33Å; E748-K751 PolarHBondContact O-N 2.74Å; E748-L752 HydrophobicContact CG-CD1 3.88Å; E748-L752 WeakPolarHBondContact O-CB 3.24Å; E748-L752 WeakPolarHBondContact O-CG 3.26Å; E748-L752 PolarHBondContact O-N 3.3Å |
| 749 | I | 89.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 178.1 | -68.6 | 167 | 0 | 0 | 0 | 111.2 | V733 R736 V738 I741 K745 A746 K751 L752 A753 | V733-I749 HydrophobicContact CB-CG2 3.84Å; V733-I749 HydrophobicContact CG1-CG2 4.05Å; R736-I749 HydrophobicContact CB-CG2 4.33Å; V738-I749 HydrophobicContact CG1-CD1 4.25Å; V738-I749 HydrophobicContact CG1-CG2 4.4Å; I741-I749 HydrophobicContact CD1-CD1 3.7Å; K745-I749 WeakPolarHBondContact O-CG1 3.22Å; K745-I749 PolarHBondContact O-N 2.87Å; A746-I749 PolarHBondContact O-N 2.93Å; I749-K751 VanDerWaalsContact C-N 3.31Å; I749-K751 PolarHBondContact O-N 3.44Å; I749-L752 PolarHBondContact O-N 2.92Å; I749-A753 PolarHBondContact O-N 2.77Å |
| 750 | M | 86.9 | Confident | 86.7 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -28.6 | 176.6 | -81.9 | 173.9 | -82.2 | 0 | 0 | 113.6 | L690 V692 V708 L730 V733 A746 | L690-M750 HydrophobicContact CD1-SD 4.39Å; V692-M750 HydrophobicContact CB-CE 4.43Å; V692-M750 HydrophobicContact CG1-CE 3.97Å; V692-M750 HydrophobicContact CG1-SD 4.1Å; V692-M750 HydrophobicContact CG2-CE 3.83Å; V708-M750 HydrophobicContact CG1-CE 4.46Å; L730-M750 HydrophobicContact CD2-CE 3.93Å; L730-M750 HydrophobicContact CD2-SD 3.78Å; V733-M750 HydrophobicContact CG1-CG 4.12Å; V733-M750 HydrophobicContact CG2-CG 4.07Å; A746-M750 HydrophobicContact CB-CE 4.01Å; A746-M750 WeakPolarHBondContact O-CE 3.38Å; A746-M750 PolarHBondContact O-N 3.32Å |
| 751 | K | 84.8 | Confident | 87.2 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 61% | 0.609 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70 | -41.6 | 172.8 | -79.9 | 168.6 | -179.3 | 171.1 | 0 | 111.8 | R683 V747 E748 I749 | R683-K751 PolarHBondContact NH1-O 3.08Å; R683-K751 PolarHBondContact NH2-O 2.8Å; V747-K751 HydrophobicContact CG1-CD 3.99Å; V747-K751 VanDerWaalsContact CG1-CE 3.47Å; V747-K751 WeakPolarHBondContact O-CB 3.26Å; V747-K751 WeakPolarHBondContact O-CD 3.47Å; V747-K751 WeakPolarHBondContact O-CG 3.22Å; V747-K751 PolarHBondContact O-N 2.76Å; E748-K751 PolarHBondContact O-N 2.74Å; I749-K751 VanDerWaalsContact C-N 3.31Å; I749-K751 PolarHBondContact O-N 3.44Å |
| 752 | L | 85.1 | Confident | 87.3 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 60% | 0.602 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -81.2 | -19.4 | -177.5 | -67.9 | 173.5 | 0 | 0 | 0 | 114.4 | E748 I749 | E748-L752 HydrophobicContact CG-CD1 3.88Å; E748-L752 WeakPolarHBondContact O-CB 3.24Å; E748-L752 WeakPolarHBondContact O-CG 3.26Å; E748-L752 PolarHBondContact O-N 3.3Å; I749-L752 PolarHBondContact O-N 2.92Å |
| 753 | A | 73.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -57.3 | 141.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | R683 V733 I749 V757 | R683-A753 PolarHBondContact NH1-O 3.15Å; V733-A753 HydrophobicContact CG1-CB 4.03Å; I749-A753 PolarHBondContact O-N 2.77Å; A753-V757 HydrophobicContact CB-CB 4.36Å; A753-V757 HydrophobicContact CB-CG1 3.86Å; A753-V757 HydrophobicContact CB-CG2 3.76Å |
| 754 | G | 81 | Confident | 86.4 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | trans | -79.2 | -142.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R683 L756 | R683-G754 WeakPolarHBondContact CD-O 3.19Å; R683-G754 PolarHBondContact NH1-O 3.29Å; G754-L756 VanDerWaalsContact C-N 3.27Å | ||
| 755 | G | 78.8 | Confident | 84.9 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -72.7 | -20.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | R683 | R683-G755 WeakPolarHBondContact CB-O 3.3Å; R683-G755 PolarHBondContact N-O 3Å |
| 756 | L | 85.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.3 | 172.2 | -156.4 | 76.3 | 0 | 0 | 0 | 109 | T680 R682 N734 G754 | T680-L756 HydrophobicContact CG2-CD1 3.83Å; T680-L756 HydrophobicContact CG2-CD2 4.03Å; T680-L756 HydrophobicContact CG2-CG 3.76Å; R682-L756 HydrophobicContact CB-CD1 4.23Å; N734-L756 PolarHBondContact ND2-O 3.03Å; G754-L756 VanDerWaalsContact C-N 3.27Å |
| 757 | V | 90.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 102.7 | -175.8 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | V681 L688 V733 N734 A753 L759 | V681-V757 PolarHBondContact N-O 2.95Å; V681-V757 PolarHBondContact O-N 3.07Å; L688-V757 HydrophobicContact CD1-CG2 4.41Å; L688-V757 HydrophobicContact CD2-CB 4.02Å; L688-V757 HydrophobicContact CD2-CG1 4.09Å; L688-V757 HydrophobicContact CD2-CG2 4.08Å; V733-V757 HydrophobicContact CG1-CG1 3.85Å; N734-V757 WeakPolarHBondContact OD1-CA 3.25Å; A753-V757 HydrophobicContact CB-CB 4.36Å; A753-V757 HydrophobicContact CB-CG1 3.86Å; A753-V757 HydrophobicContact CB-CG2 3.76Å; V757-L759 HydrophobicContact CG1-CD2 3.7Å; V757-L759 HydrophobicContact CG1-CG 4.25Å |
| 758 | Q | 91.7 | Very high | 77.6 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.9 | 173.4 | -169.3 | -178.3 | 44.2 | 0 | 0 | 109.2 | T678 V733 N734 | T678-Q758 HydrophobicContact CG2-CG 3.64Å; V733-Q758 CarbonylContact C-O 3.54Å; V733-Q758 WeakPolarHBondContact CA-O 3.35Å; N734-Q758 PolarHBondContact N-O 3.39Å; N734-Q758 PolarHBondContact OD1-N 3.37Å |
| 759 | L | 93.5 | Very high | 74.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.4 | -177.8 | -57.3 | 177.2 | 0 | 0 | 0 | 108.4 | T678 I679 V681 L690 L724 L730 S732 V733 V757 | T678-L759 CarbonylContact C-O 3.24Å; T678-L759 WeakPolarHBondContact CA-O 3.36Å; I679-L759 PolarHBondContact N-O 2.91Å; I679-L759 PolarHBondContact O-N 3.25Å; V681-L759 HydrophobicContact CG2-CD1 3.84Å; L690-L759 HydrophobicContact CD2-CD1 4.2Å; L724-L759 HydrophobicContact CD1-CD1 3.83Å; L724-L759 HydrophobicContact CD2-CD1 4.23Å; L730-L759 HydrophobicContact CD1-CB 4.16Å; L730-L759 HydrophobicContact CD1-CD1 4.37Å; L730-L759 HydrophobicContact CD1-CD2 4.24Å; L730-L759 HydrophobicContact CD1-CG 4.49Å; S732-L759 WeakPolarHBondContact O-CA 3.36Å; V733-L759 HydrophobicContact CB-CD2 4.27Å; V733-L759 HydrophobicContact CG1-CD2 3.98Å; V733-L759 HydrophobicContact CG2-CD2 3.76Å; V757-L759 HydrophobicContact CG1-CD2 3.7Å; V757-L759 HydrophobicContact CG1-CG 4.25Å |
| 760 | N | 91.7 | Very high | 72.2 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.2 | 161.6 | -68.7 | -62.4 | 0 | 0 | 0 | 108.2 | T678 L731 S732 | T678-N760 WeakPolarHBondContact CB-OD1 3.39Å; T678-N760 WeakPolarHBondContact CG2-OD1 3.43Å; T678-N760 PolarHBondContact OG1-OD1 3.34Å; L731-N760 WeakPolarHBondContact CA-O 3.37Å; L731-N760 HydrophobicContact CB-CB 4.35Å; L731-N760 WeakPolarHBondContact CB-O 3.49Å; L731-N760 PolarHBondContact N-O 2.9Å; S732-N760 PolarHBondContact N-O 2.73Å; S732-N760 PolarHBondContact O-N 2.04Å; S732-N760 WeakPolarHBondContact OG-CB 3.35Å; S732-N760 PolarHBondContact OG-ND2 3.17Å |
| 761 | L | 94.3 | Very high | 69.4 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.4 | -177.1 | 59.5 | 87.4 | 0 | 0 | 0 | 111.3 | V676 R677 I679 L724 D728 K729 L730 R763 | V676-L761 CarbonylContact C-O 3.58Å; V676-L761 VanDerWaalsContact CA-O 3.3Å; V676-L761 WeakPolarHBondContact CA-O 3.26Å; R677-L761 HydrophobicContact CB-CD1 4.08Å; R677-L761 PolarHBondContact N-O 2.85Å; R677-L761 PolarHBondContact O-N 2.92Å; I679-L761 HydrophobicContact CB-CD2 4.37Å; I679-L761 HydrophobicContact CD1-CD2 4.11Å; I679-L761 HydrophobicContact CG1-CD2 4.27Å; L724-L761 HydrophobicContact CD1-CD2 3.37Å; D728-L761 HydrophobicContact CB-CB 4.39Å; D728-L761 HydrophobicContact CB-CD1 4Å; D728-L761 HydrophobicContact CB-CD2 4.02Å; D728-L761 HydrophobicContact CB-CG 4.36Å; K729-L761 CarbonylContact O-C 3.59Å; K729-L761 WeakPolarHBondContact O-CA 3.35Å; K729-L761 VanDerWaalsContact O-CB 3.31Å; K729-L761 WeakPolarHBondContact O-CB 3.24Å; L730-L761 HydrophobicContact CD1-CB 4.38Å; L761-R763 HydrophobicContact CD1-CB 4.35Å |
| 762 | C | 89.6 | Confident | 66.7 | Low | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.5 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | E675 K729 L731 | E675-C762 CarbonylContact O-C 3.58Å; E675-C762 VanDerWaalsContact O-CA 3.28Å; E675-C762 WeakPolarHBondContact O-CA 3.37Å; K729-C762 HydrophobicContact CB-CB 4.25Å; K729-C762 PolarHBondContact N-O 3.39Å; K729-C762 PolarHBondContact O-N 2.75Å; L731-C762 HydrophobicContact CD1-CB 4.23Å |
| 763 | R | 85.8 | Confident | 64.1 | Low | 36 Ų | 36 | 74.6 Ų | 74.6 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.5 | -179.3 | -179.8 | 175.9 | -66.6 | 173.3 | 0.7 | 109.6 | G674 E675 R677 G723 D728 L761 | G674-R763 CarbonylContact C-O 3.49Å; G674-R763 VanDerWaalsContact CA-O 3.31Å; G674-R763 WeakPolarHBondContact CA-O 3.46Å; E675-R763 PolarHBondContact N-O 2.89Å; E675-R763 PolarHBondContact O-N 3.07Å; R677-R763 VanDerWaalsContact NH1-NH1 3.11Å; G723-R763 PolarHBondContact O-NH2 2.99Å; D728-R763 VanDerWaalsContact CG-NH2 3.33Å; D728-R763 IonicContact OD1-CZ 3.66Å; D728-R763 VanDerWaalsContact OD1-CZ 3.3Å; D728-R763 IonicContact OD1-NE 3.66Å; D728-R763 PolarHBondContact OD1-NE 3.23Å; D728-R763 IonicContact OD1-NH2 2.75Å; D728-R763 PolarHBondContact OD1-NH2 2.85Å; D728-R763 VanDerWaalsContact OD1-NH2 3.07Å; D728-R763 IonicContact OD2-CZ 3.26Å; D728-R763 IonicContact OD2-NE 3.98Å; D728-R763 IonicContact OD2-NH2 2.69Å; D728-R763 PolarHBondContact OD2-NH2 3.09Å; L761-R763 HydrophobicContact CD1-CB 4.35Å |
| 764 | D | 72.7 | Confident | 61.8 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 128.9 | 169.1 | -51.5 | 29.1 | 0 | 0 | 0 | 108.5 | K702 | K702-D764 IonicContact NZ-OD1 3.41Å; K702-D764 PolarHBondContact NZ-OD1 2.96Å; K702-D764 IonicContact NZ-OD2 2.69Å; K702-D764 PolarHBondContact NZ-OD2 2.94Å |
| 765 | E | 55.8 | Low | 59.2 | Low | 119 Ų | 119 | 84.1 Ų | 84.1 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 133.5 | 175.6 | -82.2 | -78.6 | 115.9 | 0 | 0 | 110.6 | R677 | R677-E765 IonicContact CZ-OE1 3.58Å; R677-E765 IonicContact NH2-OE1 2.69Å; R677-E765 PolarHBondContact NH2-OE1 2.8Å |
| 766 | A | 44.1 | Very low | 56.8 | Low | 78 Ų | 78 | 86.8 Ų | 86.8 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -84 | 147.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L768 | A766-L768 PolarHBondContact O-N 3.42Š|
| 767 | P | 34 | Very low | 54.2 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 84% | 0.838 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 128.9 | 180 | -24.4 | 34.5 | 0 | 0 | 0 | 112.9 | ||
| 768 | L | 32.5 | Very low | 51.2 | Low | 141 Ų | 141 | 92.8 Ų | 92.8 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 141.3 | 175.3 | -75.2 | 163.7 | 0 | 0 | 0 | 111.3 | A766 T770 | A766-L768 PolarHBondContact O-N 3.42Å; L768-T770 PolarHBondContact O-N 3.15Å; L768-T770 VanDerWaalsContact O-N 3.15Å |
| 769 | P | 29.2 | Very low | 48.6 | Very low | 120 Ų | 120 | 96 Ų | 96 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | trans | -79.3 | 95.8 | 176.7 | 31.8 | -33.6 | 0 | 0 | 0 | 111 | S771 | P769-S771 PolarHBondContact O-N 3.45Š| ||
| 770 | T | 34.5 | Very low | 45.7 | Very low | 136 Ų | 136 | 103.6 Ų | 103.6 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | trans | -83.5 | 96.4 | 176.2 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | L768 | L768-T770 PolarHBondContact O-N 3.15Å; L768-T770 VanDerWaalsContact O-N 3.15Å | ||
| 771 | S | 29.1 | Very low | 43 | Very low | 126 Ų | 126 | 106.4 Ų | 106.4 | 88% | 0.881 | 63% | 0.631 | S | S | * | * | trans | -66.2 | 130.9 | 164 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | P769 | P769-S771 PolarHBondContact O-N 3.45Š| ||
| 772 | G | 28 | Very low | 40.3 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | 165.6 | 112.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 773 | L | 29.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | trans | 62.1 | 84.4 | 141.9 | -53.9 | 178.6 | 0 | 0 | 0 | 120.6 | ||||
| 774 | S | 26.2 | Very low | 35.5 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | 63.7 | 159.4 | 107.6 | -151 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 775 | L | 27.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 124 Ų | 124 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 76.6 | 126.4 | 169.5 | -51.8 | 175.6 | 0 | 0 | 0 | 116.6 | ||||
| 776 | T | 28.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -163.4 | 141.7 | -13.8 | 0.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 777 | T | 29.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | trans | 21.7 | 149.7 | 130.9 | 61.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 778 | D | 27.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | cis | -168.9 | 140.1 | 9.9 | -115 | 14 | 0 | 0 | 0 | 110.2 | ||||
| 779 | H | 36.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 91.9 | 162.2 | 80.6 | -96.5 | -25.6 | 0 | 0 | 0 | 117.8 | |||||
| 780 | H | 32.5 | Very low | 32 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 81.9 | 143.1 | 167.7 | -57.5 | -47.5 | 0 | 0 | 0 | 119 | ||||
| 781 | S | 35 | Very low | 31.9 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -173.9 | -173.2 | -9 | -96.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 782 | P | 37.7 | Very low | 32.2 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | cis | -126.6 | -174.8 | -0.9 | 40.1 | -20.4 | 0 | 0 | 0 | 114.7 | ||||
| 783 | P | 39.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -124.3 | -171.6 | -158.5 | 44.8 | -33.5 | 0 | 0 | 0 | 116.4 | ||||
| 784 | L | 36.4 | Very low | 33.4 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 155 | 155.5 | 139.4 | -84.3 | 162.6 | 0 | 0 | 0 | 111.8 | ||||
| 785 | P | 36.8 | Very low | 34.6 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | -123.9 | -178.8 | -24.9 | 38.6 | -22.7 | 0 | 0 | 0 | 113.5 | ||||
| 786 | Q | 31.5 | Very low | 36.8 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -76.7 | 154.1 | -170.8 | -60.5 | 151.1 | -19.7 | 0 | 0 | 115 | ||||
| 787 | D | 32.6 | Very low | 39.4 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | trans | -149.3 | 163.7 | 143.2 | -136.1 | -33.4 | 0 | 0 | 0 | 111.4 | ||||
| 788 | V | 30.6 | Very low | 42.1 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -109.5 | 107.9 | -153.6 | -176.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 789 | E | 32.4 | Very low | 45 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 129.7 | 170.1 | -71 | -166.4 | 122 | 0 | 0 | 113.3 | ||
| 790 | R | 31.3 | Very low | 47.5 | Very low | 229 Ų | 229 | 129.3 Ų | 129.3 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -98 | 134 | -177.3 | -57.1 | -178.9 | -171.7 | -176 | 2.4 | 111.1 | M792 | R790-M792 PolarHBondContact O-N 2.98Š|
| 791 | R | 32.5 | Very low | 50.3 | Low | 255 Ų | 255 | 122 Ų | 122 | 96% | 0.962 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.4 | 169.3 | -78 | 178.6 | 167.8 | 165.8 | -4.4 | 111 | ||
| 792 | M | 34.5 | Very low | 53 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | trans | -117.5 | 140.7 | 165.3 | -75.9 | -172 | 168.7 | 0 | 0 | 109.7 | R790 A891 | R790-M792 PolarHBondContact O-N 2.98Å; M792-A891 HydrophobicContact CE-CB 4.35Å | ||
| 793 | E | 36 | Very low | 55.5 | Low | 170 Ų | 170 | 115.1 Ų | 115.1 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | trans | -89.1 | 146.3 | 177.5 | -63.8 | -175.9 | 135.2 | 0 | 0 | 111.7 | ||||
| 794 | K | 46.2 | Very low | 57.7 | Low | 123 Ų | 123 | 115.6 Ų | 115.6 | 54% | 0.535 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 115 | 175.6 | -73.2 | -166.2 | 173.8 | -155.8 | 0 | 110.7 | E887 Y889 | K794-E887 WeakPolarHBondContact CE-OE2 3.27Å; K794-E887 IonicContact NZ-OE1 2.72Å; K794-E887 PolarHBondContact NZ-OE1 2.94Å; K794-E887 IonicContact NZ-OE2 2.94Å; K794-E887 PolarHBondContact NZ-OE2 3.2Å; K794-Y889 WeakPolarHBondContact CE-OH 3.46Å; K794-Y889 HydrophobicContact CG-CE1 4.18Å |
| 795 | A | 51.9 | Low | 60.1 | Low | 41 Ų | 41 | 111.4 Ų | 111.4 | 34% | 0.339 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 150 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K888 V890 | A795-K888 WeakPolarHBondContact CB-O 3.35Å; A795-K888 PolarHBondContact N-O 2.94Å; A795-K888 PolarHBondContact O-N 2.79Å; A795-V890 HydrophobicContact CB-CG2 4.04Å |
| 796 | V | 74.8 | Confident | 62.3 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.1 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | Q885 | V796-Q885 HydrophobicContact CG1-CG 3.43Å; V796-Q885 VanDerWaalsContact CG1-CG 3.43Å |
| 797 | E | 82.1 | Confident | 64.5 | Low | 58 Ų | 58 | 107.1 Ų | 107.1 | 27% | 0.271 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.6 | -176.5 | 171.4 | 169.4 | -111.3 | 0 | 0 | 110.2 | V799 Q885 R886 K888 | E797-V799 HydrophobicContact CG-CG2 3.91Å; E797-Q885 WeakPolarHBondContact O-CA 3.1Å; E797-R886 HydrophobicContact CB-CG 3.96Å; E797-R886 HydrophobicContact CG-CG 4.26Å; E797-R886 PolarHBondContact N-O 3.19Å; E797-R886 PolarHBondContact O-N 2.98Å; E797-R886 IonicContact OE2-NH1 3.87Å; E797-K888 HydrophobicContact CB-CD 4.26Å; E797-K888 IonicContact OE1-NZ 2.67Å; E797-K888 PolarHBondContact OE1-NZ 3.33Å; E797-K888 WeakPolarHBondContact OE2-CD 3.3Å; E797-K888 IonicContact OE2-NZ 2.61Å; E797-K888 PolarHBondContact OE2-NZ 3.28Å |
| 798 | T | 86.7 | Confident | 66.5 | Low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.9 | 173.4 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | L854 V883 V884 | T798-L854 HydrophobicContact CG2-CD1 4.31Å; T798-V883 HydrophobicContact CG2-CG1 3.63Å; T798-V884 CarbonylContact C-O 3.5Å; T798-V884 WeakPolarHBondContact CA-O 3.18Å |
| 799 | V | 87.6 | Confident | 69.2 | Low | 23 Ų | 23 | 98.7 Ų | 98.7 | 14% | 0.139 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.7 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | E797 K846 V884 | E797-V799 HydrophobicContact CG-CG2 3.91Å; V799-K846 HydrophobicContact CG1-CB 4.06Å; V799-V884 HydrophobicContact CB-CG2 3.96Å; V799-V884 PolarHBondContact N-O 3.11Å; V799-V884 PolarHBondContact O-N 3.36Å |
| 800 | S | 89.2 | Confident | 71.9 | Confident | 77 Ų | 77 | 90 Ų | 90 | 54% | 0.538 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.2 | 171.3 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | L882 | S800-L882 CarbonylContact C-O 3.58Å; S800-L882 VanDerWaalsContact CA-O 3.31Å; S800-L882 WeakPolarHBondContact CA-O 3.17Å |
| 801 | T | 91 | Very high | 74.7 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.037 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 156.5 | 172.5 | -161.1 | 0 | 0 | 0 | 0 | 112.8 | I803 D844 K846 L847 L881 L882 | T801-I803 HydrophobicContact CG2-CD1 4.15Å; T801-I803 HydrophobicContact CG2-CG1 3.99Å; T801-D844 WeakPolarHBondContact CB-OD2 3.17Å; T801-D844 PolarHBondContact OG1-OD1 3.46Å; T801-D844 VanDerWaalsContact OG1-OD1 3.12Å; T801-D844 PolarHBondContact OG1-OD2 3.21Å; T801-K846 PolarHBondContact OG1-NZ 2.94Å; T801-L847 HydrophobicContact CG2-CD2 4Å; T801-L847 HydrophobicContact CG2-CG 4.1Å; T801-L881 CarbonylContact O-C 3.35Å; T801-L881 WeakPolarHBondContact O-CA 2.98Å; T801-L882 HydrophobicContact CG2-CB 4.33Å; T801-L882 HydrophobicContact CG2-CD1 4.48Å; T801-L882 PolarHBondContact N-O 2.77Å; T801-L882 PolarHBondContact O-N 3.05Å |
| 802 | T | 91.3 | Very high | 77.6 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 111.4 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | E879 V880 L881 | T802-E879 HydrophobicContact CG2-CB 4Å; T802-V880 WeakPolarHBondContact CA-O 3.38Å; T802-L881 WeakPolarHBondContact OG1-CD1 3.28Å |
| 803 | I | 91.5 | Very high | 80.3 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.8 | -177.2 | -62.3 | 176.5 | 0 | 0 | 0 | 109.3 | T801 L810 F812 P840 A841 L847 E879 V880 L882 | T801-I803 HydrophobicContact CG2-CD1 4.15Å; T801-I803 HydrophobicContact CG2-CG1 3.99Å; I803-L810 HydrophobicContact CB-CD2 4.46Å; I803-L810 HydrophobicContact CG2-CB 4.23Å; I803-L810 HydrophobicContact CG2-CD2 3.98Å; I803-F812 HydrophobicContact CD1-CD1 4Å; I803-F812 HydrophobicContact CD1-CE1 3.88Å; I803-P840 HydrophobicContact CG2-CB 3.71Å; I803-A841 HydrophobicContact CD1-CB 3.78Å; I803-L847 HydrophobicContact CD1-CD1 3.54Å; I803-L847 HydrophobicContact CD1-CG 4.2Å; I803-E879 WeakPolarHBondContact O-CA 3.2Å; I803-V880 PolarHBondContact N-O 2.62Å; I803-V880 PolarHBondContact O-N 2.78Å; I803-L882 HydrophobicContact CD1-CD1 3.79Å; I803-L882 HydrophobicContact CG1-CD1 4.48Å |
| 804 | K | 85.4 | Confident | 83 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 132.9 | 174.4 | -167 | 169.1 | -163 | 112.6 | 0 | 110.4 | P840 E879 | K804-P840 WeakPolarHBondContact O-CB 3.35Å; K804-E879 HydrophobicContact CB-CG 4.22Å; K804-E879 HydrophobicContact CG-CG 3.97Å; K804-E879 IonicContact NZ-OE1 2.73Å; K804-E879 PolarHBondContact NZ-OE1 2.77Å |
| 805 | R | 85.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 129.2 | 177.4 | -171.4 | -179.1 | -65.9 | 179 | 6.3 | 110 | L810 L873 T874 G875 S878 | R805-L810 HydrophobicContact CB-CD2 3.92Å; R805-L810 HydrophobicContact CG-CD2 4.33Å; R805-L873 PolarHBondContact NH2-O 3.29Å; R805-T874 PolarHBondContact NH1-O 2.89Å; R805-T874 VanDerWaalsContact NH2-C 3.33Å; R805-T874 PolarHBondContact NH2-O 2.73Å; R805-G875 PolarHBondContact NH1-O 2.96Å; R805-G875 VanDerWaalsContact NH1-O 3.16Å; R805-G875 PolarHBondContact NH2-O 3.4Å; R805-S878 PolarHBondContact N-O 2.76Å |
| 806 | E | 83.9 | Confident | 86.5 | Confident | 81 Ų | 81 | 52.5 Ų | 52.5 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -110.7 | -179.9 | 172.3 | -68.9 | -179.2 | 178.5 | 0 | 0 | 110.6 | S808 G809 P840 R843 | E806-S808 PolarHBondContact O-N 3.43Å; E806-S808 VanDerWaalsContact O-N 3.14Å; E806-G809 PolarHBondContact N-O 3.35Å; E806-G809 PolarHBondContact O-N 3.16Å; E806-P840 HydrophobicContact CB-CG 4.05Å; E806-P840 HydrophobicContact CG-CG 3.88Å; E806-R843 IonicContact OE1-CZ 3.66Å; E806-R843 IonicContact OE1-NH1 2.93Å; E806-R843 PolarHBondContact OE1-NH1 3.19Å; E806-R843 IonicContact OE1-NH2 3.63Å; E806-R843 PolarHBondContact OE1-NH2 2.85Å; E806-R843 IonicContact OE2-CZ 3.57Å; E806-R843 IonicContact OE2-NH1 2.75Å; E806-R843 IonicContact OE2-NH2 3.47Å; E806-R843 PolarHBondContact OE2-NH2 3Å |
| 807 | S | 77.5 | Confident | 86.9 | Confident | 137 Ų | 137 | 48.6 Ų | 48.6 | 96% | 0.958 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.9 | 174 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 808 | S | 75.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 53% | 0.531 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.8 | 171.7 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | E806 | E806-S808 PolarHBondContact O-N 3.43Å; E806-S808 VanDerWaalsContact O-N 3.14Å |
| 809 | G | 86.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | 84.1 | -145.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | E806 | E806-G809 PolarHBondContact N-O 3.35Å; E806-G809 PolarHBondContact O-N 3.16Å |
| 810 | L | 89.5 | Confident | 84 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -13.3 | -179.7 | -62.2 | 171.6 | 0 | 0 | 0 | 113.8 | I803 R805 F812 A841 L873 V880 | I803-L810 HydrophobicContact CB-CD2 4.46Å; I803-L810 HydrophobicContact CG2-CB 4.23Å; I803-L810 HydrophobicContact CG2-CD2 3.98Å; R805-L810 HydrophobicContact CB-CD2 3.92Å; R805-L810 HydrophobicContact CG-CD2 4.33Å; L810-F812 HydrophobicContact CB-CD1 3.82Å; L810-F812 HydrophobicContact CB-CE1 3.67Å; L810-F812 HydrophobicContact CD1-CE1 3.88Å; L810-F812 HydrophobicContact CD1-CZ 4.28Å; L810-F812 HydrophobicContact CG-CE1 4.38Å; L810-A841 WeakPolarHBondContact O-CB 3.44Å; L810-A841 PolarHBondContact O-N 2.92Å; L810-L873 HydrophobicContact CD1-CB 4.35Å; L810-L873 HydrophobicContact CD1-CD2 4.07Å; L810-V880 HydrophobicContact CD1-CB 4.25Å; L810-V880 HydrophobicContact CD1-CG1 4.48Å; L810-V880 HydrophobicContact CD1-CG2 3.98Å; L810-V880 HydrophobicContact CD2-CB 4.19Å; L810-V880 HydrophobicContact CD2-CG2 3.94Å |
| 811 | G | 89.8 | Confident | 82 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 78.4 | 17.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T836 | G811-T836 WeakPolarHBondContact O-CB 3.28Å; G811-T836 PolarHBondContact O-N 3.44Å |
| 812 | F | 93.5 | Very high | 79.8 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.101 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 175 | 171 | 72.8 | -85 | 0 | 0 | 0 | 111.7 | I803 L810 V814 I832 R834 I835 A841 L847 L873 L882 | I803-F812 HydrophobicContact CD1-CD1 4Å; I803-F812 HydrophobicContact CD1-CE1 3.88Å; L810-F812 HydrophobicContact CB-CD1 3.82Å; L810-F812 HydrophobicContact CB-CE1 3.67Å; L810-F812 HydrophobicContact CD1-CE1 3.88Å; L810-F812 HydrophobicContact CD1-CZ 4.28Å; L810-F812 HydrophobicContact CG-CE1 4.38Å; F812-V814 HydrophobicContact CD2-CG1 4.43Å; F812-V814 HydrophobicContact CE2-CG1 4.01Å; F812-I832 HydrophobicContact CD2-CD1 3.56Å; F812-I832 HydrophobicContact CE2-CD1 3.61Å; F812-R834 CarbonylContact C-O 3.46Å; F812-R834 VanDerWaalsContact CA-O 3.3Å; F812-R834 WeakPolarHBondContact CA-O 3.07Å; F812-R834 WeakPolarHBondContact CB-O 3.48Å; F812-I835 HydrophobicContact CB-CG1 4.33Å; F812-A841 HydrophobicContact CB-CB 3.91Å; F812-A841 HydrophobicContact CD1-CB 3.95Å; F812-A841 HydrophobicContact CG-CB 4.37Å; F812-L847 HydrophobicContact CD1-CD1 4.13Å; F812-L847 HydrophobicContact CD2-CD1 4.43Å; F812-L847 HydrophobicContact CE1-CD1 4.37Å; F812-L847 HydrophobicContact CG-CD1 4.15Å; F812-L873 HydrophobicContact CE2-CD1 4.09Å; F812-L873 HydrophobicContact CE2-CD2 4.23Å; F812-L873 HydrophobicContact CZ-CD1 4.25Å; F812-L873 HydrophobicContact CZ-CD2 3.61Å; F812-L882 HydrophobicContact CE1-CD1 3.72Å; F812-L882 HydrophobicContact CE2-CD1 4.32Å; F812-L882 HydrophobicContact CZ-CD1 3.48Å; F812-L882 VanDerWaalsContact CZ-CD1 3.48Å; F812-L882 HydrophobicContact CZ-CD2 4.23Å; F812-L882 HydrophobicContact CZ-CG 4.47Å |
| 813 | S | 91.8 | Very high | 77.1 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.9 | 176.3 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | S833 R834 | S813-S833 PolarHBondContact O-N 2.97Å; S813-S833 PolarHBondContact O-OG 2.9Å; S813-R834 PolarHBondContact N-O 3.41Å |
| 814 | V | 92.3 | Very high | 74.4 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 157 | 176.4 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | F812 I830 F831 I832 S833 V853 V870 L873 | F812-V814 HydrophobicContact CD2-CG1 4.43Å; F812-V814 HydrophobicContact CE2-CG1 4.01Å; V814-I830 HydrophobicContact CB-CG2 3.78Å; V814-I830 HydrophobicContact CG1-CG2 3.96Å; V814-I830 HydrophobicContact CG2-CG2 4.37Å; V814-F831 CarbonylContact C-O 3.59Å; V814-F831 WeakPolarHBondContact CA-O 3.32Å; V814-I832 HydrophobicContact CG1-CD1 4.29Å; V814-S833 VanDerWaalsContact C-OG 3.22Å; V814-S833 PolarHBondContact N-OG 2.92Å; V814-S833 PolarHBondContact O-OG 2.64Å; V814-V853 HydrophobicContact CG1-CG2 4.48Å; V814-V870 HydrophobicContact CG2-CG2 4.42Å; V814-L873 HydrophobicContact CG1-CD1 3.89Å; V814-L873 HydrophobicContact CG2-CD1 3.96Å |
| 815 | A | 85.7 | Confident | 72.2 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 174.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | I830 F831 | A815-I830 WeakPolarHBondContact O-CA 3.2Å; A815-F831 PolarHBondContact N-O 2.92Å; A815-F831 PolarHBondContact O-N 3.14Å |
| 816 | G | 86.2 | Confident | 70.6 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 19% | 0.186 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.3 | -159.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S820 S829 H866 | G816-S820 WeakPolarHBondContact CA-OG 3.37Å; G816-S829 CarbonylContact C-O 3.49Å; G816-H866 PolarHBondContact O-ND1 3.37Å |
| 817 | G | 82 | Confident | 69.7 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.01 | 45% | 0.451 | C | S | . | . | trans | 95.5 | 154.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G819 S820 D828 S829 I830 A864 | G817-G819 PolarHBondContact O-N 2.85Å; G817-S820 WeakPolarHBondContact O-CB 3.45Å; G817-S820 PolarHBondContact O-N 2.72Å; G817-S820 VanDerWaalsContact O-N 3.09Å; G817-S820 PolarHBondContact O-OG 2.84Å; G817-D828 CarbonylContact C-O 3.49Å; G817-D828 WeakPolarHBondContact CA-O 3.29Å; G817-S829 PolarHBondContact N-O 2.92Å; G817-I830 VanDerWaalsContact CA-CG1 3.4Å; G817-A864 CarbonylContact C-O 3.52Å; G817-A864 VanDerWaalsContact CA-O 3.29Å; G817-A864 WeakPolarHBondContact CA-O 3.44Å | ||
| 818 | K | 69 | Low | 69.6 | Low | 58 Ų | 58 | 59.5 Ų | 59.5 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 119.9 | -167.5 | -174.5 | 147 | -170.4 | 167.8 | 0 | 113.4 | E715 D828 N863 A864 R865 | E715-K818 IonicContact OE1-NZ 3.47Å; E715-K818 WeakPolarHBondContact OE2-CE 3.31Å; E715-K818 IonicContact OE2-NZ 3.15Å; E715-K818 PolarHBondContact OE2-NZ 3.47Å; K818-D828 WeakPolarHBondContact CA-OD1 3.37Å; K818-D828 WeakPolarHBondContact CD-OD2 3.44Å; K818-D828 WeakPolarHBondContact CE-OD2 3.39Å; K818-D828 WeakPolarHBondContact CG-OD2 3.29Å; K818-D828 PolarHBondContact N-O 2.67Å; K818-N863 WeakPolarHBondContact CB-O 3.16Å; K818-N863 HydrophobicContact CD-CB 3.92Å; K818-A864 PolarHBondContact N-O 2.86Å; K818-R865 HydrophobicContact CB-CG 4.39Å |
| 819 | G | 64.4 | Low | 70.1 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 30.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G817 | G817-G819 PolarHBondContact O-N 2.85Š|
| 820 | S | 62 | Low | 70.3 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | trans | -93.8 | 147.8 | 163.6 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | G816 G817 S822 | G816-S820 WeakPolarHBondContact CA-OG 3.37Å; G817-S820 WeakPolarHBondContact O-CB 3.45Å; G817-S820 PolarHBondContact O-N 2.72Å; G817-S820 VanDerWaalsContact O-N 3.09Å; G817-S820 PolarHBondContact O-OG 2.84Å; S820-S822 PolarHBondContact O-N 3.5Å | ||
| 821 | N | 47.6 | Very low | 70.5 | Confident | 171 Ų | 171 | 56.9 Ų | 56.9 | 91% | 0.914 | 39% | 0.393 | S | S | * | . | trans | -81.8 | 59.5 | -173.9 | -65.7 | 14.3 | 0 | 0 | 0 | 112 | ||||
| 822 | S | 45.2 | Very low | 70.6 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -92 | 102 | 179.5 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | S820 | S820-S822 PolarHBondContact O-N 3.5Š| ||
| 823 | N | 34.3 | Very low | 70.5 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 87% | 0.872 | 40% | 0.403 | S | S | * | . | trans | -66.4 | 148 | 163.2 | -77.1 | -18.9 | 0 | 0 | 0 | 110.6 | ||||
| 824 | A | 34.8 | Very low | 70.5 | Confident | 105 Ų | 105 | 62.9 Ų | 62.9 | 87% | 0.868 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 63.9 | 101.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 825 | G | 39.9 | Very low | 70.4 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 136.2 | -14.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | D827 | G825-D827 PolarHBondContact O-N 3.22Š|
| 826 | G | 52.3 | Low | 70.5 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 91% | 0.907 | 42% | 0.417 | S | S | * | . | trans | 65.2 | -3.7 | 169 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 827 | D | 65.5 | Low | 70.5 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.353 | 44% | 0.441 | S | S | . | . | trans | -93.1 | 104.6 | -178 | -169.1 | -1.3 | 0 | 0 | 0 | 111.2 | G825 S829 F831 K852 | G825-D827 PolarHBondContact O-N 3.22Å; D827-S829 PolarHBondContact O-N 2.72Å; D827-S829 WeakPolarHBondContact OD1-CB 3.4Å; D827-S829 PolarHBondContact OD1-N 2.79Å; D827-S829 PolarHBondContact OD1-OG 3.23Å; D827-F831 HydrophobicContact CB-CZ 4.23Å; D827-F831 WeakPolarHBondContact OD2-CZ 3.22Å; D827-K852 VanDerWaalsContact CG-NZ 3.25Å; D827-K852 IonicContact OD1-NZ 2.78Å; D827-K852 PolarHBondContact OD1-NZ 3.1Å; D827-K852 IonicContact OD2-NZ 2.76Å; D827-K852 PolarHBondContact OD2-NZ 3.26Å | ||
| 828 | D | 75.5 | Confident | 70.5 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 33% | 0.326 | 46% | 0.463 | S | S | . | . | trans | -65.3 | 10.7 | -178.3 | -127.8 | 9.1 | 0 | 0 | 0 | 114 | G817 K818 | G817-D828 CarbonylContact C-O 3.49Å; G817-D828 WeakPolarHBondContact CA-O 3.29Å; K818-D828 WeakPolarHBondContact CA-OD1 3.37Å; K818-D828 WeakPolarHBondContact CD-OD2 3.44Å; K818-D828 WeakPolarHBondContact CE-OD2 3.39Å; K818-D828 WeakPolarHBondContact CG-OD2 3.29Å; K818-D828 PolarHBondContact N-O 2.67Å | ||
| 829 | S | 84.5 | Confident | 71.4 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 4% | 0.035 | 45% | 0.453 | C | S | . | . | trans | -83.5 | 168.2 | -174.4 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | G816 G817 D827 F831 K852 | G816-S829 CarbonylContact C-O 3.49Å; G817-S829 PolarHBondContact N-O 2.92Å; D827-S829 PolarHBondContact O-N 2.72Å; D827-S829 WeakPolarHBondContact OD1-CB 3.4Å; D827-S829 PolarHBondContact OD1-N 2.79Å; D827-S829 PolarHBondContact OD1-OG 3.23Å; S829-F831 WeakPolarHBondContact O-CD2 3.42Å; S829-F831 WeakPolarHBondContact O-CE2 3.21Å; S829-K852 WeakPolarHBondContact OG-CE 3.17Å; S829-K852 PolarHBondContact OG-NZ 2.94Å | ||
| 830 | I | 91.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.3 | -178.8 | -62 | -179 | 0 | 0 | 0 | 108.9 | V814 A815 G817 V853 M861 A864 A869 | V814-I830 HydrophobicContact CB-CG2 3.78Å; V814-I830 HydrophobicContact CG1-CG2 3.96Å; V814-I830 HydrophobicContact CG2-CG2 4.37Å; A815-I830 WeakPolarHBondContact O-CA 3.2Å; G817-I830 VanDerWaalsContact CA-CG1 3.4Å; I830-V853 HydrophobicContact CG2-CG2 4.38Å; I830-V853 PolarHBondContact O-N 2.96Å; I830-M861 HydrophobicContact CD1-SD 4.42Å; I830-A864 HydrophobicContact CD1-CB 3.94Å; I830-A869 HydrophobicContact CD1-CB 3.41Å; I830-A869 VanDerWaalsContact CD1-CB 3.41Å; I830-A869 HydrophobicContact CG2-CB 4.28Å |
| 831 | F | 92.8 | Very high | 74.1 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.2 | -173.4 | -62.6 | -95 | 0 | 0 | 0 | 111.7 | V814 A815 D827 S829 S833 D851 K852 | V814-F831 CarbonylContact C-O 3.59Å; V814-F831 WeakPolarHBondContact CA-O 3.32Å; A815-F831 PolarHBondContact N-O 2.92Å; A815-F831 PolarHBondContact O-N 3.14Å; D827-F831 HydrophobicContact CB-CZ 4.23Å; D827-F831 WeakPolarHBondContact OD2-CZ 3.22Å; S829-F831 WeakPolarHBondContact O-CD2 3.42Å; S829-F831 WeakPolarHBondContact O-CE2 3.21Å; F831-S833 PolarHBondContact O-N 2.95Å; F831-S833 VanDerWaalsContact O-N 3.13Å; F831-D851 CarbonylContact C-O 3.35Å; F831-D851 VanDerWaalsContact CA-O 3.31Å; F831-D851 WeakPolarHBondContact CA-O 3.35Å; F831-K852 HydrophobicContact CD1-CB 3.87Å; F831-K852 HydrophobicContact CD1-CG 4.49Å; F831-K852 HydrophobicContact CE1-CB 3.71Å; F831-K852 HydrophobicContact CE1-CD 4.19Å; F831-K852 HydrophobicContact CE1-CG 4.09Å; F831-K852 HydrophobicContact CZ-CD 4.36Å; F831-K852 HydrophobicContact CZ-CG 4.48Å |
| 832 | I | 93.2 | Very high | 76.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 106.1 | 170.1 | -55.4 | -61.7 | 0 | 0 | 0 | 108.6 | F812 V814 I835 L847 R848 V849 G850 D851 V853 | F812-I832 HydrophobicContact CD2-CD1 3.56Å; F812-I832 HydrophobicContact CE2-CD1 3.61Å; V814-I832 HydrophobicContact CG1-CD1 4.29Å; I832-I835 HydrophobicContact CG2-CD1 4.4Å; I832-I835 HydrophobicContact CG2-CG1 3.98Å; I832-L847 HydrophobicContact CD1-CD1 4.16Å; I832-R848 WeakPolarHBondContact CB-O 3.38Å; I832-V849 WeakPolarHBondContact O-CA 3.39Å; I832-G850 PolarHBondContact O-N 3.33Å; I832-D851 HydrophobicContact CB-CB 4.23Å; I832-D851 HydrophobicContact CG1-CB 3.79Å; I832-D851 PolarHBondContact N-O 2.75Å; I832-V853 HydrophobicContact CD1-CG2 3.81Å; I832-V853 HydrophobicContact CG1-CG2 4.22Å |
| 833 | S | 90.5 | Very high | 78.3 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -25.1 | -174.9 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | S813 V814 F831 | S813-S833 PolarHBondContact O-N 2.97Å; S813-S833 PolarHBondContact O-OG 2.9Å; V814-S833 VanDerWaalsContact C-OG 3.22Å; V814-S833 PolarHBondContact N-OG 2.92Å; V814-S833 PolarHBondContact O-OG 2.64Å; F831-S833 PolarHBondContact O-N 2.95Å; F831-S833 VanDerWaalsContact O-N 3.13Å |
| 834 | R | 91.4 | Very high | 81 | Confident | 154 Ų | 154 | 57 Ų | 57 | 58% | 0.581 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 146.7 | 179.1 | -172.8 | 172.8 | -179.3 | 169.3 | 1.7 | 110.8 | F812 S813 | F812-R834 CarbonylContact C-O 3.46Å; F812-R834 VanDerWaalsContact CA-O 3.3Å; F812-R834 WeakPolarHBondContact CA-O 3.07Å; F812-R834 WeakPolarHBondContact CB-O 3.48Å; S813-R834 PolarHBondContact N-O 3.41Å |
| 835 | I | 90.8 | Very high | 83.6 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.9 | 162.9 | -63.6 | 175 | 0 | 0 | 0 | 107.4 | F812 I832 A841 D842 L847 V849 | F812-I835 HydrophobicContact CB-CG1 4.33Å; I832-I835 HydrophobicContact CG2-CD1 4.4Å; I832-I835 HydrophobicContact CG2-CG1 3.98Å; I835-A841 HydrophobicContact CG2-CB 4.34Å; I835-D842 HydrophobicContact CG2-CB 3.8Å; I835-L847 HydrophobicContact CD1-CB 3.86Å; I835-L847 WeakPolarHBondContact CD1-O 3.31Å; I835-V849 HydrophobicContact CG1-CG2 4.26Å |
| 836 | T | 88.2 | Confident | 86 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | trans | -97 | 114.3 | -178.3 | -61.7 | 0 | 0 | 0 | 0 | 109 | G811 G838 G839 D842 | G811-T836 WeakPolarHBondContact O-CB 3.28Å; G811-T836 PolarHBondContact O-N 3.44Å; T836-G838 PolarHBondContact O-N 3.06Å; T836-G839 WeakPolarHBondContact O-CA 3.23Å; T836-G839 PolarHBondContact O-N 3.31Å; T836-D842 WeakPolarHBondContact O-CB 3.46Å | ||
| 837 | P | 84.7 | Confident | 87.9 | Confident | 107 Ų | 107 | 51.4 Ų | 51.4 | 70% | 0.695 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.1 | 179.9 | -28.5 | 36.3 | 0 | 0 | 0 | 112.7 | G839 D842 | P837-G839 PolarHBondContact O-N 2.91Å; P837-D842 WeakPolarHBondContact CA-OD2 3.24Å |
| 838 | G | 83.1 | Confident | 89.1 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -8.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | T836 D842 R843 | T836-G838 PolarHBondContact O-N 3.06Å; G838-D842 PolarHBondContact N-OD2 2.82Å; G838-R843 PolarHBondContact O-NE 3.15Å; G838-R843 PolarHBondContact O-NH2 3.09Å; G838-R843 VanDerWaalsContact O-NH2 3.1Å |
| 839 | G | 86.7 | Confident | 89.8 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -68.5 | 168.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T836 P837 A841 D842 R843 | T836-G839 WeakPolarHBondContact O-CA 3.23Å; T836-G839 PolarHBondContact O-N 3.31Å; P837-G839 PolarHBondContact O-N 2.91Å; G839-A841 VanDerWaalsContact C-N 3.34Å; G839-A841 PolarHBondContact O-N 3.47Å; G839-D842 WeakPolarHBondContact O-CB 3.29Å; G839-D842 PolarHBondContact O-N 2.97Å; G839-R843 PolarHBondContact O-N 2.72Å |
| 840 | P | 90.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.071 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.3 | -41.5 | -178.9 | -29.7 | 37.2 | 0 | 0 | 0 | 114.4 | I803 K804 E806 D842 R843 D844 | I803-P840 HydrophobicContact CG2-CB 3.71Å; K804-P840 WeakPolarHBondContact O-CB 3.35Å; E806-P840 HydrophobicContact CB-CG 4.05Å; E806-P840 HydrophobicContact CG-CG 3.88Å; P840-D842 VanDerWaalsContact C-N 3.34Å; P840-D842 PolarHBondContact O-N 3.16Å; P840-R843 PolarHBondContact O-N 3Å; P840-D844 WeakPolarHBondContact O-CB 3.36Å; P840-D844 PolarHBondContact O-N 3.36Å |
| 841 | A | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I803 L810 F812 I835 G839 G845 L847 | I803-A841 HydrophobicContact CD1-CB 3.78Å; L810-A841 WeakPolarHBondContact O-CB 3.44Å; L810-A841 PolarHBondContact O-N 2.92Å; F812-A841 HydrophobicContact CB-CB 3.91Å; F812-A841 HydrophobicContact CD1-CB 3.95Å; F812-A841 HydrophobicContact CG-CB 4.37Å; I835-A841 HydrophobicContact CG2-CB 4.34Å; G839-A841 VanDerWaalsContact C-N 3.34Å; G839-A841 PolarHBondContact O-N 3.47Å; A841-G845 PolarHBondContact O-N 3.21Å; A841-L847 HydrophobicContact CB-CD1 4.35Å |
| 842 | D | 92.6 | Very high | 89.9 | Confident | 76 Ų | 76 | 58 Ų | 58 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.9 | -39.8 | -179.2 | -166.9 | 62.4 | 0 | 0 | 0 | 110.9 | I835 T836 P837 G838 G839 P840 G845 | I835-D842 HydrophobicContact CG2-CB 3.8Å; T836-D842 WeakPolarHBondContact O-CB 3.46Å; P837-D842 WeakPolarHBondContact CA-OD2 3.24Å; G838-D842 PolarHBondContact N-OD2 2.82Å; G839-D842 WeakPolarHBondContact O-CB 3.29Å; G839-D842 PolarHBondContact O-N 2.97Å; P840-D842 VanDerWaalsContact C-N 3.34Å; P840-D842 PolarHBondContact O-N 3.16Å; D842-G845 PolarHBondContact O-N 3.26Å |
| 843 | R | 89.7 | Confident | 89.9 | Confident | 148 Ų | 148 | 58 Ų | 58 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.5 | -27.9 | 172.1 | -85.1 | 179.9 | -78.4 | 136 | -2.3 | 114 | E806 G838 G839 P840 | E806-R843 IonicContact OE1-CZ 3.66Å; E806-R843 IonicContact OE1-NH1 2.93Å; E806-R843 PolarHBondContact OE1-NH1 3.19Å; E806-R843 IonicContact OE1-NH2 3.63Å; E806-R843 PolarHBondContact OE1-NH2 2.85Å; E806-R843 IonicContact OE2-CZ 3.57Å; E806-R843 IonicContact OE2-NH1 2.75Å; E806-R843 IonicContact OE2-NH2 3.47Å; E806-R843 PolarHBondContact OE2-NH2 3Å; G838-R843 PolarHBondContact O-NE 3.15Å; G838-R843 PolarHBondContact O-NH2 3.09Å; G838-R843 VanDerWaalsContact O-NH2 3.1Å; G839-R843 PolarHBondContact O-N 2.72Å; P840-R843 PolarHBondContact O-N 3Å |
| 844 | D | 90.4 | Very high | 90 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.8 | -33.6 | 170.5 | 177.2 | 66.7 | 0 | 0 | 0 | 112.3 | T801 P840 K846 | T801-D844 WeakPolarHBondContact CB-OD2 3.17Å; T801-D844 PolarHBondContact OG1-OD1 3.46Å; T801-D844 VanDerWaalsContact OG1-OD1 3.12Å; T801-D844 PolarHBondContact OG1-OD2 3.21Å; P840-D844 WeakPolarHBondContact O-CB 3.36Å; P840-D844 PolarHBondContact O-N 3.36Å; D844-K846 PolarHBondContact O-N 2.78Å; D844-K846 IonicContact OD1-NZ 3.81Å; D844-K846 PolarHBondContact OD1-NZ 2.73Å; D844-K846 WeakPolarHBondContact OD2-CB 3.33Å; D844-K846 WeakPolarHBondContact OD2-CG 3.33Å; D844-K846 IonicContact OD2-NZ 2.79Å |
| 845 | G | 88.8 | Confident | 90.1 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | trans | 67.9 | -2.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A841 D842 | A841-G845 PolarHBondContact O-N 3.21Å; D842-G845 PolarHBondContact O-N 3.26Å | ||
| 846 | K | 90.6 | Very high | 90.2 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | trans | -79.9 | -34.5 | -178.7 | -55.3 | -162.3 | -157.1 | 73.3 | 0 | 113 | V799 T801 D844 R886 | V799-K846 HydrophobicContact CG1-CB 4.06Å; T801-K846 PolarHBondContact OG1-NZ 2.94Å; D844-K846 PolarHBondContact O-N 2.78Å; D844-K846 IonicContact OD1-NZ 3.81Å; D844-K846 PolarHBondContact OD1-NZ 2.73Å; D844-K846 WeakPolarHBondContact OD2-CB 3.33Å; D844-K846 WeakPolarHBondContact OD2-CG 3.33Å; D844-K846 IonicContact OD2-NZ 2.79Å; K846-R886 PolarHBondContact O-NH2 3.01Å | ||
| 847 | L | 93 | Very high | 90.2 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -75.4 | 153 | 176.6 | -64.4 | -172.9 | 0 | 0 | 0 | 112.1 | T801 I803 F812 I832 I835 A841 D851 L882 V884 | T801-L847 HydrophobicContact CG2-CD2 4Å; T801-L847 HydrophobicContact CG2-CG 4.1Å; I803-L847 HydrophobicContact CD1-CD1 3.54Å; I803-L847 HydrophobicContact CD1-CG 4.2Å; F812-L847 HydrophobicContact CD1-CD1 4.13Å; F812-L847 HydrophobicContact CD2-CD1 4.43Å; F812-L847 HydrophobicContact CE1-CD1 4.37Å; F812-L847 HydrophobicContact CG-CD1 4.15Å; I832-L847 HydrophobicContact CD1-CD1 4.16Å; I835-L847 HydrophobicContact CD1-CB 3.86Å; I835-L847 WeakPolarHBondContact CD1-O 3.31Å; A841-L847 HydrophobicContact CB-CD1 4.35Å; L847-D851 WeakPolarHBondContact CA-OD2 3.44Å; L847-L882 HydrophobicContact CD1-CD1 3.87Å; L847-L882 HydrophobicContact CD2-CD1 4.45Å; L847-V884 HydrophobicContact CD2-CG1 3.85Å; L847-V884 HydrophobicContact CD2-CG2 3.94Å | ||
| 848 | R | 90.7 | Very high | 90.1 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | trans | -137.3 | 153.7 | 171.6 | -65.1 | 178.9 | -175.6 | 179.3 | -1.1 | 110.2 | I832 G850 D851 | I832-R848 WeakPolarHBondContact CB-O 3.38Å; R848-G850 PolarHBondContact O-N 3.21Å; R848-D851 PolarHBondContact N-OD2 3.07Å; R848-D851 VanDerWaalsContact O-CB 3.32Å; R848-D851 WeakPolarHBondContact O-CB 3.13Å; R848-D851 PolarHBondContact O-N 2.81Å | ||
| 849 | V | 89.1 | Confident | 90.2 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 132.1 | 170 | 178 | 0 | 0 | 0 | 0 | 108.8 | I832 I835 | I832-V849 WeakPolarHBondContact O-CA 3.39Å; I835-V849 HydrophobicContact CG1-CG2 4.26Å |
| 850 | G | 86 | Confident | 90.2 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -7.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | I832 R848 K852 | I832-G850 PolarHBondContact O-N 3.33Å; R848-G850 PolarHBondContact O-N 3.21Å; G850-K852 PolarHBondContact O-N 3.3Å |
| 851 | D | 93.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.8 | 171.8 | -76.2 | -11.7 | 0 | 0 | 0 | 110.9 | F831 I832 L847 R848 V884 R886 | F831-D851 CarbonylContact C-O 3.35Å; F831-D851 VanDerWaalsContact CA-O 3.31Å; F831-D851 WeakPolarHBondContact CA-O 3.35Å; I832-D851 HydrophobicContact CB-CB 4.23Å; I832-D851 HydrophobicContact CG1-CB 3.79Å; I832-D851 PolarHBondContact N-O 2.75Å; L847-D851 WeakPolarHBondContact CA-OD2 3.44Å; R848-D851 PolarHBondContact N-OD2 3.07Å; R848-D851 VanDerWaalsContact O-CB 3.32Å; R848-D851 WeakPolarHBondContact O-CB 3.13Å; R848-D851 PolarHBondContact O-N 2.81Å; D851-V884 HydrophobicContact CB-CB 4.02Å; D851-V884 HydrophobicContact CB-CG2 3.95Å; D851-R886 VanDerWaalsContact CG-NH2 3.26Å; D851-R886 IonicContact OD1-CZ 2.84Å; D851-R886 VanDerWaalsContact OD1-CZ 3.31Å; D851-R886 IonicContact OD1-NE 2.96Å; D851-R886 PolarHBondContact OD1-NE 3.48Å; D851-R886 IonicContact OD1-NH2 3.08Å; D851-R886 PolarHBondContact OD1-NH2 3.02Å; D851-R886 IonicContact OD2-CZ 3.66Å; D851-R886 IonicContact OD2-NE 3.58Å; D851-R886 IonicContact OD2-NH2 3.14Å; D851-R886 PolarHBondContact OD2-NH2 3.26Å |
| 852 | K | 92.8 | Very high | 89.7 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119.9 | 175.3 | 174.2 | 168.8 | 172.9 | 154.1 | 0 | 110.3 | D827 S829 F831 G850 L854 V884 Q885 | D827-K852 VanDerWaalsContact CG-NZ 3.25Å; D827-K852 IonicContact OD1-NZ 2.78Å; D827-K852 PolarHBondContact OD1-NZ 3.1Å; D827-K852 IonicContact OD2-NZ 2.76Å; D827-K852 PolarHBondContact OD2-NZ 3.26Å; S829-K852 WeakPolarHBondContact OG-CE 3.17Å; S829-K852 PolarHBondContact OG-NZ 2.94Å; F831-K852 HydrophobicContact CD1-CB 3.87Å; F831-K852 HydrophobicContact CD1-CG 4.49Å; F831-K852 HydrophobicContact CE1-CB 3.71Å; F831-K852 HydrophobicContact CE1-CD 4.19Å; F831-K852 HydrophobicContact CE1-CG 4.09Å; F831-K852 HydrophobicContact CZ-CD 4.36Å; F831-K852 HydrophobicContact CZ-CG 4.48Å; G850-K852 PolarHBondContact O-N 3.3Å; K852-L854 HydrophobicContact CG-CD2 4.46Å; K852-L854 PolarHBondContact O-N 3.11Å; K852-V884 CarbonylContact O-C 3.28Å; K852-V884 WeakPolarHBondContact O-CA 3.45Å; K852-V884 WeakPolarHBondContact O-CB 3.32Å; K852-Q885 HydrophobicContact CB-CB 4.33Å; K852-Q885 PolarHBondContact N-O 2.87Å; K852-Q885 PolarHBondContact O-N 3.21Å |
| 853 | V | 93.6 | Very high | 89 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118.1 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | V814 I830 I832 I856 M861 V884 | V814-V853 HydrophobicContact CG1-CG2 4.48Å; I830-V853 HydrophobicContact CG2-CG2 4.38Å; I830-V853 PolarHBondContact O-N 2.96Å; I832-V853 HydrophobicContact CD1-CG2 3.81Å; I832-V853 HydrophobicContact CG1-CG2 4.22Å; V853-I856 HydrophobicContact CG1-CD1 4.22Å; V853-I856 HydrophobicContact CG1-CG1 3.77Å; V853-M861 HydrophobicContact CG1-CB 4.43Å; V853-M861 HydrophobicContact CG1-CG 3.92Å; V853-M861 WeakPolarHBondContact O-CB 3.43Å; V853-V884 HydrophobicContact CG2-CG1 4.27Å |
| 854 | L | 92.3 | Very high | 88.7 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.199 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -34.8 | 177 | -61.9 | -174.9 | 0 | 0 | 0 | 112.6 | T798 K852 N860 M861 V883 Q885 | T798-L854 HydrophobicContact CG2-CD1 4.31Å; K852-L854 HydrophobicContact CG-CD2 4.46Å; K852-L854 PolarHBondContact O-N 3.11Å; L854-N860 WeakPolarHBondContact O-CA 3.4Å; L854-N860 PolarHBondContact O-OD1 2.86Å; L854-M861 PolarHBondContact O-N 2.91Å; L854-V883 WeakPolarHBondContact CA-O 3.36Å; L854-V883 HydrophobicContact CB-CG1 4.37Å; L854-V883 HydrophobicContact CD1-CG1 4.46Å; L854-V883 PolarHBondContact N-O 3.01Å; L854-Q885 HydrophobicContact CD1-CB 3.89Å; L854-Q885 HydrophobicContact CD2-CB 4.2Å; L854-Q885 HydrophobicContact CG-CB 3.93Å |
| 855 | S | 92.6 | Very high | 88.4 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 155.3 | 173.3 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | V859 L882 V883 | S855-V859 CarbonylContact C-O 3.51Å; S855-V859 WeakPolarHBondContact CA-O 3.36Å; S855-V859 VanDerWaalsContact CB-O 3.23Å; S855-V859 WeakPolarHBondContact CB-O 3.11Å; S855-L882 WeakPolarHBondContact O-CA 3.19Å; S855-V883 PolarHBondContact N-O 2.79Å; S855-V883 VanDerWaalsContact N-O 3.08Å; S855-V883 PolarHBondContact O-N 2.68Å; S855-V883 WeakPolarHBondContact OG-CB 3.44Å; S855-V883 WeakPolarHBondContact OG-CG2 3.16Å |
| 856 | I | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 120.6 | 175.5 | -52.7 | 176.4 | 0 | 0 | 0 | 107.6 | V853 G858 V859 M861 A869 L872 L873 V880 L881 L882 | V853-I856 HydrophobicContact CG1-CD1 4.22Å; V853-I856 HydrophobicContact CG1-CG1 3.77Å; I856-G858 PolarHBondContact O-N 2.89Å; I856-G858 VanDerWaalsContact O-N 3.15Å; I856-V859 PolarHBondContact N-O 3.39Å; I856-V859 WeakPolarHBondContact O-CB 3.39Å; I856-V859 PolarHBondContact O-N 3.32Å; I856-M861 HydrophobicContact CB-CE 4.39Å; I856-M861 HydrophobicContact CD1-CE 4.43Å; I856-M861 HydrophobicContact CD1-CG 3.87Å; I856-M861 HydrophobicContact CD1-SD 3.54Å; I856-M861 VanDerWaalsContact CD1-SD 3.54Å; I856-M861 HydrophobicContact CG1-CE 4.38Å; I856-M861 HydrophobicContact CG1-CG 3.67Å; I856-M861 HydrophobicContact CG1-SD 3.88Å; I856-A869 HydrophobicContact CD1-CB 3.82Å; I856-L872 HydrophobicContact CB-CB 4.24Å; I856-L872 HydrophobicContact CB-CD1 4.47Å; I856-L872 HydrophobicContact CG2-CB 3.82Å; I856-L873 HydrophobicContact CD1-CD1 4.41Å; I856-L873 HydrophobicContact CD1-CD2 3.99Å; I856-L873 HydrophobicContact CD1-CG 3.95Å; I856-L873 HydrophobicContact CG2-CD2 3.85Å; I856-L873 HydrophobicContact CG2-CG 4.46Å; I856-V880 HydrophobicContact CG2-CG1 3.85Å; I856-L881 CarbonylContact C-O 3.41Å; I856-L881 WeakPolarHBondContact CA-O 3.12Å; I856-L882 HydrophobicContact CB-CD2 4.33Å; I856-L882 HydrophobicContact CG1-CD2 3.87Å; I856-L882 HydrophobicContact CG2-CD2 4.1Å |
| 857 | N | 88.6 | Confident | 88 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36.9 | -174.7 | -70.5 | -23.1 | 0 | 0 | 0 | 113.4 | V859 V880 L881 | N857-V859 VanDerWaalsContact C-N 3.28Å; N857-V859 PolarHBondContact O-N 2.74Å; N857-V880 WeakPolarHBondContact OD1-CA 3.49Å; N857-L881 PolarHBondContact N-O 3.1Å; N857-L881 PolarHBondContact OD1-N 2.82Å |
| 858 | G | 81.8 | Confident | 87.7 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -10.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I856 | I856-G858 PolarHBondContact O-N 2.89Å; I856-G858 VanDerWaalsContact O-N 3.15Å |
| 859 | V | 84.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.5 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | S855 I856 N857 M861 L872 | S855-V859 CarbonylContact C-O 3.51Å; S855-V859 WeakPolarHBondContact CA-O 3.36Å; S855-V859 VanDerWaalsContact CB-O 3.23Å; S855-V859 WeakPolarHBondContact CB-O 3.11Å; I856-V859 PolarHBondContact N-O 3.39Å; I856-V859 WeakPolarHBondContact O-CB 3.39Å; I856-V859 PolarHBondContact O-N 3.32Å; N857-V859 VanDerWaalsContact C-N 3.28Å; N857-V859 PolarHBondContact O-N 2.74Å; V859-M861 HydrophobicContact CB-CE 4.01Å; V859-M861 HydrophobicContact CG1-CE 3.81Å; V859-M861 VanDerWaalsContact O-CE 3.28Å; V859-M861 WeakPolarHBondContact O-CE 3.12Å; V859-L872 HydrophobicContact CB-CD1 3.9Å; V859-L872 HydrophobicContact CG1-CD1 3.94Å; V859-L872 HydrophobicContact CG2-CD1 4.27Å; V859-L872 HydrophobicContact CG2-CD2 4.04Å |
| 860 | N | 88.5 | Confident | 87.7 | Confident | 102 Ų | 102 | 50 Ų | 50 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.5 | 178.9 | -173.3 | -15.9 | 0 | 0 | 0 | 111.3 | L854 N862 | L854-N860 WeakPolarHBondContact O-CA 3.4Å; L854-N860 PolarHBondContact O-OD1 2.86Å; N860-N862 WeakPolarHBondContact OD1-CB 3.31Å; N860-N862 VanDerWaalsContact OD1-CG 3.3Å; N860-N862 PolarHBondContact OD1-N 2.98Å |
| 861 | M | 89.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -96.8 | -3.9 | -177.1 | -71.6 | -59.2 | 101.6 | 0 | 0 | 114.6 | I830 V853 L854 I856 V859 N863 A864 A869 L872 | I830-M861 HydrophobicContact CD1-SD 4.42Å; V853-M861 HydrophobicContact CG1-CB 4.43Å; V853-M861 HydrophobicContact CG1-CG 3.92Å; V853-M861 WeakPolarHBondContact O-CB 3.43Å; L854-M861 PolarHBondContact O-N 2.91Å; I856-M861 HydrophobicContact CB-CE 4.39Å; I856-M861 HydrophobicContact CD1-CE 4.43Å; I856-M861 HydrophobicContact CD1-CG 3.87Å; I856-M861 HydrophobicContact CD1-SD 3.54Å; I856-M861 VanDerWaalsContact CD1-SD 3.54Å; I856-M861 HydrophobicContact CG1-CE 4.38Å; I856-M861 HydrophobicContact CG1-CG 3.67Å; I856-M861 HydrophobicContact CG1-SD 3.88Å; V859-M861 HydrophobicContact CB-CE 4.01Å; V859-M861 HydrophobicContact CG1-CE 3.81Å; V859-M861 VanDerWaalsContact O-CE 3.28Å; V859-M861 WeakPolarHBondContact O-CE 3.12Å; M861-N863 PolarHBondContact O-N 2.93Å; M861-A864 HydrophobicContact CB-CB 4.43Å; M861-A864 HydrophobicContact CE-CB 4.45Å; M861-A864 WeakPolarHBondContact O-CB 3.28Å; M861-A864 PolarHBondContact O-N 3.18Å; M861-A864 HydrophobicContact SD-CB 3.91Å; M861-A869 HydrophobicContact SD-CB 3.89Å; M861-L872 HydrophobicContact CE-CD1 3.27Å; M861-L872 HydrophobicContact SD-CD1 4.29Å | ||
| 862 | N | 83.2 | Confident | 87.5 | Confident | 86 Ų | 86 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129 | 173.5 | -66.4 | -4.1 | 0 | 0 | 0 | 109.7 | N860 A864 | N860-N862 WeakPolarHBondContact OD1-CB 3.31Å; N860-N862 VanDerWaalsContact OD1-CG 3.3Å; N860-N862 PolarHBondContact OD1-N 2.98Å; N862-A864 PolarHBondContact O-N 3.18Å; N862-A864 VanDerWaalsContact O-N 3.14Å |
| 863 | N | 77.4 | Confident | 87.4 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 14 | -173.8 | -63.5 | 0.2 | 0 | 0 | 0 | 115.6 | K818 M861 | K818-N863 WeakPolarHBondContact CB-O 3.16Å; K818-N863 HydrophobicContact CD-CB 3.92Å; M861-N863 PolarHBondContact O-N 2.93Å |
| 864 | A | 82.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | trans | -69.8 | 142.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G817 K818 I830 M861 N862 | G817-A864 CarbonylContact C-O 3.52Å; G817-A864 VanDerWaalsContact CA-O 3.29Å; G817-A864 WeakPolarHBondContact CA-O 3.44Å; K818-A864 PolarHBondContact N-O 2.86Å; I830-A864 HydrophobicContact CD1-CB 3.94Å; M861-A864 HydrophobicContact CB-CB 4.43Å; M861-A864 HydrophobicContact CE-CB 4.45Å; M861-A864 WeakPolarHBondContact O-CB 3.28Å; M861-A864 PolarHBondContact O-N 3.18Å; M861-A864 HydrophobicContact SD-CB 3.91Å; N862-A864 PolarHBondContact O-N 3.18Å; N862-A864 VanDerWaalsContact O-N 3.14Å | ||
| 865 | R | 84.8 | Confident | 86 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | trans | -74.4 | 150.8 | 172 | -66.8 | 176.6 | 56.5 | -110.5 | -10.8 | 110.5 | K818 D867 Q868 A869 | K818-R865 HydrophobicContact CB-CG 4.39Å; R865-D867 VanDerWaalsContact C-N 3.32Å; R865-D867 WeakPolarHBondContact CB-OD1 3.36Å; R865-D867 VanDerWaalsContact CZ-CG 3.47Å; R865-D867 IonicContact CZ-OD1 3.07Å; R865-D867 IonicContact CZ-OD2 3.3Å; R865-D867 IonicContact NE-OD1 3.94Å; R865-D867 IonicContact NH1-OD1 2.77Å; R865-D867 PolarHBondContact NH1-OD1 2.84Å; R865-D867 IonicContact NH1-OD2 3.76Å; R865-D867 PolarHBondContact NH1-OD2 3.46Å; R865-D867 IonicContact NH2-OD1 3Å; R865-D867 PolarHBondContact NH2-OD1 3.27Å; R865-D867 VanDerWaalsContact NH2-OD1 3.09Å; R865-D867 IonicContact NH2-OD2 3.56Å; R865-D867 PolarHBondContact NH2-OD2 3.38Å; R865-D867 PolarHBondContact O-N 2.99Å; R865-Q868 WeakPolarHBondContact O-CB 3.32Å; R865-Q868 PolarHBondContact O-N 2.88Å; R865-A869 PolarHBondContact O-N 2.94Å | ||
| 866 | H | 86.6 | Confident | 84.5 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.347 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53 | -45.5 | -178.2 | -171.9 | 86.2 | 0 | 0 | 0 | 113.5 | G816 Q868 A869 V870 | G816-H866 PolarHBondContact O-ND1 3.37Å; H866-Q868 VanDerWaalsContact C-N 3.3Å; H866-Q868 PolarHBondContact O-N 3.05Å; H866-A869 PolarHBondContact O-N 3.4Å; H866-V870 WeakPolarHBondContact O-CG2 3.5Å; H866-V870 PolarHBondContact O-N 3.3Å |
| 867 | D | 84.5 | Confident | 83.5 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -28.4 | 178 | 60.2 | -23.9 | 0 | 0 | 0 | 113.4 | R865 V870 Y871 | R865-D867 VanDerWaalsContact C-N 3.32Å; R865-D867 WeakPolarHBondContact CB-OD1 3.36Å; R865-D867 VanDerWaalsContact CZ-CG 3.47Å; R865-D867 IonicContact CZ-OD1 3.07Å; R865-D867 IonicContact CZ-OD2 3.3Å; R865-D867 IonicContact NE-OD1 3.94Å; R865-D867 IonicContact NH1-OD1 2.77Å; R865-D867 PolarHBondContact NH1-OD1 2.84Å; R865-D867 IonicContact NH1-OD2 3.76Å; R865-D867 PolarHBondContact NH1-OD2 3.46Å; R865-D867 IonicContact NH2-OD1 3Å; R865-D867 PolarHBondContact NH2-OD1 3.27Å; R865-D867 VanDerWaalsContact NH2-OD1 3.09Å; R865-D867 IonicContact NH2-OD2 3.56Å; R865-D867 PolarHBondContact NH2-OD2 3.38Å; R865-D867 PolarHBondContact O-N 2.99Å; D867-V870 PolarHBondContact O-N 3.18Å; D867-Y871 WeakPolarHBondContact O-CB 3.43Å; D867-Y871 PolarHBondContact O-N 2.57Å |
| 868 | Q | 86.6 | Confident | 83.1 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.6 | -37.5 | 177.2 | -171.2 | 166.7 | -8.5 | 0 | 0 | 112.2 | R865 H866 L872 | R865-Q868 WeakPolarHBondContact O-CB 3.32Å; R865-Q868 PolarHBondContact O-N 2.88Å; H866-Q868 VanDerWaalsContact C-N 3.3Å; H866-Q868 PolarHBondContact O-N 3.05Å; Q868-L872 WeakPolarHBondContact O-CG 3.33Å; Q868-L872 PolarHBondContact O-N 3.48Å |
| 869 | A | 90.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | I830 I856 M861 R865 H866 Y871 L872 L873 | I830-A869 HydrophobicContact CD1-CB 3.41Å; I830-A869 VanDerWaalsContact CD1-CB 3.41Å; I830-A869 HydrophobicContact CG2-CB 4.28Å; I856-A869 HydrophobicContact CD1-CB 3.82Å; M861-A869 HydrophobicContact SD-CB 3.89Å; R865-A869 PolarHBondContact O-N 2.94Å; H866-A869 PolarHBondContact O-N 3.4Å; A869-Y871 VanDerWaalsContact C-N 3.27Å; A869-Y871 PolarHBondContact O-N 2.92Å; A869-L872 PolarHBondContact O-N 2.85Å; A869-L872 VanDerWaalsContact O-N 3.14Å; A869-L873 WeakPolarHBondContact O-CB 3.37Å; A869-L873 VanDerWaalsContact O-CG 3.27Å; A869-L873 WeakPolarHBondContact O-CG 3.25Å; A869-L873 PolarHBondContact O-N 3.46Å |
| 870 | V | 90.2 | Very high | 83.5 | Confident | 54 Ų | 54 | 66.4 Ų | 66.4 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.5 | -41 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V814 H866 D867 L873 T874 | V814-V870 HydrophobicContact CG2-CG2 4.42Å; H866-V870 WeakPolarHBondContact O-CG2 3.5Å; H866-V870 PolarHBondContact O-N 3.3Å; D867-V870 PolarHBondContact O-N 3.18Å; V870-L873 PolarHBondContact O-N 2.68Å; V870-T874 HydrophobicContact CG1-CG2 4.16Å; V870-T874 WeakPolarHBondContact O-CB 3.44Å; V870-T874 VanDerWaalsContact O-CG2 3.27Å; V870-T874 WeakPolarHBondContact O-CG2 3.42Å; V870-T874 PolarHBondContact O-N 3.01Å; V870-T874 PolarHBondContact O-OG1 3Å |
| 871 | Y | 86.7 | Confident | 83.6 | Confident | 167 Ų | 167 | 64.8 Ų | 64.8 | 66% | 0.655 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.2 | -47.3 | 174.4 | 178.9 | -99.7 | 0 | 0 | 0 | 112.5 | D867 A869 L873 T874 G875 | D867-Y871 WeakPolarHBondContact O-CB 3.43Å; D867-Y871 PolarHBondContact O-N 2.57Å; A869-Y871 VanDerWaalsContact C-N 3.27Å; A869-Y871 PolarHBondContact O-N 2.92Å; Y871-L873 PolarHBondContact O-N 2.95Å; Y871-T874 PolarHBondContact O-N 2.85Å; Y871-T874 PolarHBondContact O-OG1 3.34Å; Y871-G875 PolarHBondContact O-N 3.16Å |
| 872 | L | 88 | Confident | 83.8 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.5 | -34.1 | 178.2 | -68.3 | 165.8 | 0 | 0 | 0 | 112.9 | I856 V859 M861 Q868 A869 | I856-L872 HydrophobicContact CB-CB 4.24Å; I856-L872 HydrophobicContact CB-CD1 4.47Å; I856-L872 HydrophobicContact CG2-CB 3.82Å; V859-L872 HydrophobicContact CB-CD1 3.9Å; V859-L872 HydrophobicContact CG1-CD1 3.94Å; V859-L872 HydrophobicContact CG2-CD1 4.27Å; V859-L872 HydrophobicContact CG2-CD2 4.04Å; M861-L872 HydrophobicContact CE-CD1 3.27Å; M861-L872 HydrophobicContact SD-CD1 4.29Å; Q868-L872 WeakPolarHBondContact O-CG 3.33Å; Q868-L872 PolarHBondContact O-N 3.48Å; A869-L872 PolarHBondContact O-N 2.85Å; A869-L872 VanDerWaalsContact O-N 3.14Å |
| 873 | L | 90.3 | Very high | 84.3 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.3 | -24.7 | 175.5 | -67.4 | 176.9 | 0 | 0 | 0 | 113.5 | R805 L810 F812 V814 I856 A869 V870 Y871 V880 L882 | R805-L873 PolarHBondContact NH2-O 3.29Å; L810-L873 HydrophobicContact CD1-CB 4.35Å; L810-L873 HydrophobicContact CD1-CD2 4.07Å; F812-L873 HydrophobicContact CE2-CD1 4.09Å; F812-L873 HydrophobicContact CE2-CD2 4.23Å; F812-L873 HydrophobicContact CZ-CD1 4.25Å; F812-L873 HydrophobicContact CZ-CD2 3.61Å; V814-L873 HydrophobicContact CG1-CD1 3.89Å; V814-L873 HydrophobicContact CG2-CD1 3.96Å; I856-L873 HydrophobicContact CD1-CD1 4.41Å; I856-L873 HydrophobicContact CD1-CD2 3.99Å; I856-L873 HydrophobicContact CD1-CG 3.95Å; I856-L873 HydrophobicContact CG2-CD2 3.85Å; I856-L873 HydrophobicContact CG2-CG 4.46Å; A869-L873 WeakPolarHBondContact O-CB 3.37Å; A869-L873 VanDerWaalsContact O-CG 3.27Å; A869-L873 WeakPolarHBondContact O-CG 3.25Å; A869-L873 PolarHBondContact O-N 3.46Å; V870-L873 PolarHBondContact O-N 2.68Å; Y871-L873 PolarHBondContact O-N 2.95Å; L873-V880 HydrophobicContact CD2-CG1 4.06Å; L873-L882 HydrophobicContact CD2-CD2 4.06Å |
| 874 | T | 81.9 | Confident | 85.1 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -102.2 | -22.4 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | R805 V870 Y871 | R805-T874 PolarHBondContact NH1-O 2.89Å; R805-T874 VanDerWaalsContact NH2-C 3.33Å; R805-T874 PolarHBondContact NH2-O 2.73Å; V870-T874 HydrophobicContact CG1-CG2 4.16Å; V870-T874 WeakPolarHBondContact O-CB 3.44Å; V870-T874 VanDerWaalsContact O-CG2 3.27Å; V870-T874 WeakPolarHBondContact O-CG2 3.42Å; V870-T874 PolarHBondContact O-N 3.01Å; V870-T874 PolarHBondContact O-OG1 3Å; Y871-T874 PolarHBondContact O-N 2.85Å; Y871-T874 PolarHBondContact O-OG1 3.34Å |
| 875 | G | 75 | Confident | 85.5 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -55.1 | 162.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R805 Y871 S877 | R805-G875 PolarHBondContact NH1-O 2.96Å; R805-G875 VanDerWaalsContact NH1-O 3.16Å; R805-G875 PolarHBondContact NH2-O 3.4Å; Y871-G875 PolarHBondContact O-N 3.16Å; G875-S877 PolarHBondContact O-N 3.28Å |
| 876 | C | 60.4 | Low | 85.6 | Confident | 143 Ų | 143 | 55.8 Ų | 55.8 | 97% | 0.966 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -68.2 | 20.8 | -161.1 | -53.7 | 0 | 0 | 0 | 0 | 118 | ||
| 877 | S | 71.8 | Confident | 85.2 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | trans | -76.8 | 136.8 | 174.2 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | G875 E879 | G875-S877 PolarHBondContact O-N 3.28Å; S877-E879 VanDerWaalsContact C-N 3.28Å; S877-E879 WeakPolarHBondContact CB-O 3.44Å; S877-E879 PolarHBondContact OG-O 3.27Å | ||
| 878 | S | 79.7 | Confident | 83.9 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -75 | -19.2 | 174.9 | 49 | 0 | 0 | 0 | 0 | 113 | R805 | R805-S878 PolarHBondContact N-O 2.76Š|
| 879 | E | 85.4 | Confident | 82.2 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139.9 | -177.2 | -62 | -176.2 | 175.8 | 0 | 0 | 108.2 | T802 I803 K804 S877 | T802-E879 HydrophobicContact CG2-CB 4Å; I803-E879 WeakPolarHBondContact O-CA 3.2Å; K804-E879 HydrophobicContact CB-CG 4.22Å; K804-E879 HydrophobicContact CG-CG 3.97Å; K804-E879 IonicContact NZ-OE1 2.73Å; K804-E879 PolarHBondContact NZ-OE1 2.77Å; S877-E879 VanDerWaalsContact C-N 3.28Å; S877-E879 WeakPolarHBondContact CB-O 3.44Å; S877-E879 PolarHBondContact OG-O 3.27Å |
| 880 | V | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.4 | -177 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | T802 I803 L810 I856 N857 L873 L882 | T802-V880 WeakPolarHBondContact CA-O 3.38Å; I803-V880 PolarHBondContact N-O 2.62Å; I803-V880 PolarHBondContact O-N 2.78Å; L810-V880 HydrophobicContact CD1-CB 4.25Å; L810-V880 HydrophobicContact CD1-CG1 4.48Å; L810-V880 HydrophobicContact CD1-CG2 3.98Å; L810-V880 HydrophobicContact CD2-CB 4.19Å; L810-V880 HydrophobicContact CD2-CG2 3.94Å; I856-V880 HydrophobicContact CG2-CG1 3.85Å; N857-V880 WeakPolarHBondContact OD1-CA 3.49Å; L873-V880 HydrophobicContact CD2-CG1 4.06Å; V880-L882 HydrophobicContact CG1-CD2 4.15Å; V880-L882 HydrophobicContact CG1-CG 4.31Å |
| 881 | L | 91.2 | Very high | 77.3 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.6 | 172.2 | 177.4 | 68.9 | 0 | 0 | 0 | 109.6 | T801 T802 I856 N857 | T801-L881 CarbonylContact O-C 3.35Å; T801-L881 WeakPolarHBondContact O-CA 2.98Å; T802-L881 WeakPolarHBondContact OG1-CD1 3.28Å; I856-L881 CarbonylContact C-O 3.41Å; I856-L881 WeakPolarHBondContact CA-O 3.12Å; N857-L881 PolarHBondContact N-O 3.1Å; N857-L881 PolarHBondContact OD1-N 2.82Å |
| 882 | L | 93.3 | Very high | 74.7 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138 | 177.5 | -62.8 | 167.3 | 0 | 0 | 0 | 109.3 | S800 T801 I803 F812 L847 S855 I856 L873 V880 V884 | S800-L882 CarbonylContact C-O 3.58Å; S800-L882 VanDerWaalsContact CA-O 3.31Å; S800-L882 WeakPolarHBondContact CA-O 3.17Å; T801-L882 HydrophobicContact CG2-CB 4.33Å; T801-L882 HydrophobicContact CG2-CD1 4.48Å; T801-L882 PolarHBondContact N-O 2.77Å; T801-L882 PolarHBondContact O-N 3.05Å; I803-L882 HydrophobicContact CD1-CD1 3.79Å; I803-L882 HydrophobicContact CG1-CD1 4.48Å; F812-L882 HydrophobicContact CE1-CD1 3.72Å; F812-L882 HydrophobicContact CE2-CD1 4.32Å; F812-L882 HydrophobicContact CZ-CD1 3.48Å; F812-L882 VanDerWaalsContact CZ-CD1 3.48Å; F812-L882 HydrophobicContact CZ-CD2 4.23Å; F812-L882 HydrophobicContact CZ-CG 4.47Å; L847-L882 HydrophobicContact CD1-CD1 3.87Å; L847-L882 HydrophobicContact CD2-CD1 4.45Å; S855-L882 WeakPolarHBondContact O-CA 3.19Å; I856-L882 HydrophobicContact CB-CD2 4.33Å; I856-L882 HydrophobicContact CG1-CD2 3.87Å; I856-L882 HydrophobicContact CG2-CD2 4.1Å; L873-L882 HydrophobicContact CD2-CD2 4.06Å; V880-L882 HydrophobicContact CG1-CD2 4.15Å; V880-L882 HydrophobicContact CG1-CG 4.31Å; L882-V884 HydrophobicContact CB-CG1 4.46Å |
| 883 | V | 93.1 | Very high | 71.9 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 22% | 0.218 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127 | 162.5 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | T798 L854 S855 | T798-V883 HydrophobicContact CG2-CG1 3.63Å; L854-V883 WeakPolarHBondContact CA-O 3.36Å; L854-V883 HydrophobicContact CB-CG1 4.37Å; L854-V883 HydrophobicContact CD1-CG1 4.46Å; L854-V883 PolarHBondContact N-O 3.01Å; S855-V883 PolarHBondContact N-O 2.79Å; S855-V883 VanDerWaalsContact N-O 3.08Å; S855-V883 PolarHBondContact O-N 2.68Å; S855-V883 WeakPolarHBondContact OG-CB 3.44Å; S855-V883 WeakPolarHBondContact OG-CG2 3.16Å |
| 884 | V | 94 | Very high | 69.1 | Low | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 163.5 | -177.1 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | T798 V799 L847 D851 K852 V853 L882 | T798-V884 CarbonylContact C-O 3.5Å; T798-V884 WeakPolarHBondContact CA-O 3.18Å; V799-V884 HydrophobicContact CB-CG2 3.96Å; V799-V884 PolarHBondContact N-O 3.11Å; V799-V884 PolarHBondContact O-N 3.36Å; L847-V884 HydrophobicContact CD2-CG1 3.85Å; L847-V884 HydrophobicContact CD2-CG2 3.94Å; D851-V884 HydrophobicContact CB-CB 4.02Å; D851-V884 HydrophobicContact CB-CG2 3.95Å; K852-V884 CarbonylContact O-C 3.28Å; K852-V884 WeakPolarHBondContact O-CA 3.45Å; K852-V884 WeakPolarHBondContact O-CB 3.32Å; V853-V884 HydrophobicContact CG2-CG1 4.27Å; L882-V884 HydrophobicContact CB-CG1 4.46Å |
| 885 | Q | 90.9 | Very high | 66.7 | Low | 57 Ų | 57 | 76 Ų | 76 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.1 | -174.8 | -176.4 | 177.5 | 56.8 | 0 | 0 | 109.7 | V796 E797 K852 L854 | V796-Q885 HydrophobicContact CG1-CG 3.43Å; V796-Q885 VanDerWaalsContact CG1-CG 3.43Å; E797-Q885 WeakPolarHBondContact O-CA 3.1Å; K852-Q885 HydrophobicContact CB-CB 4.33Å; K852-Q885 PolarHBondContact N-O 2.87Å; K852-Q885 PolarHBondContact O-N 3.21Å; L854-Q885 HydrophobicContact CD1-CB 3.89Å; L854-Q885 HydrophobicContact CD2-CB 4.2Å; L854-Q885 HydrophobicContact CG-CB 3.93Å |
| 886 | R | 87 | Confident | 64.6 | Low | 29 Ų | 29 | 80.1 Ų | 80.1 | 11% | 0.109 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.3 | 175.7 | 62.7 | 175.2 | 64.4 | 128.5 | 1.9 | 111.8 | E797 K846 D851 | E797-R886 HydrophobicContact CB-CG 3.96Å; E797-R886 HydrophobicContact CG-CG 4.26Å; E797-R886 PolarHBondContact N-O 3.19Å; E797-R886 PolarHBondContact O-N 2.98Å; E797-R886 IonicContact OE2-NH1 3.87Å; K846-R886 PolarHBondContact O-NH2 3.01Å; D851-R886 VanDerWaalsContact CG-NH2 3.26Å; D851-R886 IonicContact OD1-CZ 2.84Å; D851-R886 VanDerWaalsContact OD1-CZ 3.31Å; D851-R886 IonicContact OD1-NE 2.96Å; D851-R886 PolarHBondContact OD1-NE 3.48Å; D851-R886 IonicContact OD1-NH2 3.08Å; D851-R886 PolarHBondContact OD1-NH2 3.02Å; D851-R886 IonicContact OD2-CZ 3.66Å; D851-R886 IonicContact OD2-NE 3.58Å; D851-R886 IonicContact OD2-NH2 3.14Å; D851-R886 PolarHBondContact OD2-NH2 3.26Å |
| 887 | E | 77.8 | Confident | 63.5 | Low | 105 Ų | 105 | 78.6 Ų | 78.6 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.3 | 168.6 | -61.7 | -165.8 | 155.6 | 0 | 0 | 110.5 | K794 Y889 | K794-E887 WeakPolarHBondContact CE-OE2 3.27Å; K794-E887 IonicContact NZ-OE1 2.72Å; K794-E887 PolarHBondContact NZ-OE1 2.94Å; K794-E887 IonicContact NZ-OE2 2.94Å; K794-E887 PolarHBondContact NZ-OE2 3.2Å; E887-Y889 PolarHBondContact OE2-OH 3.21Å |
| 888 | K | 58.2 | Low | 61.6 | Low | 93 Ų | 93 | 82.9 Ų | 82.9 | 40% | 0.404 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 109.7 | -177.2 | -160.2 | 172.9 | -166.7 | 163.2 | 0 | 109 | A795 E797 | A795-K888 WeakPolarHBondContact CB-O 3.35Å; A795-K888 PolarHBondContact N-O 2.94Å; A795-K888 PolarHBondContact O-N 2.79Å; E797-K888 HydrophobicContact CB-CD 4.26Å; E797-K888 IonicContact OE1-NZ 2.67Å; E797-K888 PolarHBondContact OE1-NZ 3.33Å; E797-K888 WeakPolarHBondContact OE2-CD 3.3Å; E797-K888 IonicContact OE2-NZ 2.61Å; E797-K888 PolarHBondContact OE2-NZ 3.28Å |
| 889 | Y | 50.8 | Low | 59.6 | Low | 141 Ų | 141 | 83 Ų | 83 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.6 | 175.2 | -63.5 | -88.7 | 0 | 0 | 0 | 108.8 | K794 E887 | K794-Y889 WeakPolarHBondContact CE-OH 3.46Å; K794-Y889 HydrophobicContact CG-CE1 4.18Å; E887-Y889 PolarHBondContact OE2-OH 3.21Å |
| 890 | V | 42.4 | Very low | 57.2 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | trans | -112.4 | 120.5 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | A795 | A795-V890 HydrophobicContact CB-CG2 4.04Š| ||
| 891 | A | 34 | Very low | 54.4 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 131.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M792 | M792-A891 HydrophobicContact CE-CB 4.35Š|
| 892 | S | 32.6 | Very low | 51.6 | Low | 114 Ų | 114 | 92.4 Ų | 92.4 | 80% | 0.797 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.6 | 178.2 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 893 | P | 30.1 | Very low | 48.8 | Very low | 137 Ų | 137 | 100.3 Ų | 100.3 | 89% | 0.89 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131 | -174.6 | 30.2 | -34.7 | 0 | 0 | 0 | 112.4 | ||
| 894 | G | 30.9 | Very low | 45.8 | Very low | 68 Ų | 68 | 102.6 Ų | 102.6 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | trans | -172 | 91.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 895 | Q | 31.4 | Very low | 42.8 | Very low | 206 Ų | 206 | 110 Ų | 110 | 96% | 0.963 | 67% | 0.674 | S | S | * | * | trans | 68.5 | 148.5 | 158.7 | -59.2 | 179.8 | 1.1 | 0 | 0 | 119.3 | ||||
| 896 | S | 30.8 | Very low | 39.9 | Very low | 112 Ų | 112 | 112 Ų | 112 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | -155.6 | -177.4 | -173.9 | 65.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 897 | P | 36.7 | Very low | 37.2 | Very low | 112 Ų | 112 | 115 Ų | 115 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | cis | -126.3 | 177 | -36.7 | 36.3 | -22.2 | 0 | 0 | 0 | 111.8 | ||||
| 898 | S | 33.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -165.8 | 151.8 | 144.5 | 7.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 899 | A | 36.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -118.2 | 178 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 900 | P | 35.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | -139 | 169.1 | 98.1 | 38.2 | -26.7 | 0 | 0 | 0 | 115.1 | |||||
| 901 | S | 31.3 | Very low | 31.6 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -90.3 | 171.2 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 902 | T | 33.6 | Very low | 31.2 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | -178.4 | 132.4 | 113.6 | 24.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 903 | L | 33 | Very low | 31 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 58.1 | 158.8 | 141 | -55.6 | 168.4 | 0 | 0 | 0 | 120.7 | ||||
| 904 | A | 30.6 | Very low | 30.9 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | cis | -171.2 | 142.8 | -34.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 905 | D | 31.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | 172 | 176.3 | 101.1 | -156.8 | 1.4 | 0 | 0 | 0 | 110.4 | |||||
| 906 | S | 30.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -134.6 | 152.8 | -163.8 | -56.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 907 | S | 30 | Very low | 30.7 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | 140.7 | 146.5 | 106 | 71.9 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 908 | K | 27.8 | Very low | 30.6 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | 76.9 | 160.4 | 151 | -69.9 | 158.2 | -177.2 | 172.4 | 0 | 120.4 | ||||
| 909 | I | 31.8 | Very low | 30.6 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | 69.1 | 86.7 | 176.8 | -47.6 | -179.2 | 0 | 0 | 0 | 112.9 | ||||
| 910 | S | 26.6 | Very low | 31.1 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | 80.5 | 123.9 | 62.3 | 77.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 911 | D | 24.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | 52.2 | 95.8 | 161.8 | -54.4 | -24.7 | 0 | 0 | 0 | 119.5 | ||||
| 912 | N | 26.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | -178.2 | 152 | 115 | -103.8 | -79.2 | 0 | 0 | 0 | 114.5 | |||||
| 913 | Q | 28.1 | Very low | 34.1 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | 41.9 | 93.9 | 147.2 | -64.1 | 166.8 | 45.1 | 0 | 0 | 119.7 | S915 | Q913-S915 VanDerWaalsContact C-N 3.35Å; Q913-S915 PolarHBondContact O-N 3.01Å | ||
| 914 | Y | 27.6 | Very low | 35.6 | Very low | 214 Ų | 214 | 123.8 Ų | 123.8 | 84% | 0.839 | 67% | 0.671 | S | S | * | * | trans | -76.6 | 80.1 | 160.4 | -83.2 | -73.7 | 0 | 0 | 0 | 112.2 | ||||
| 915 | S | 25.6 | Very low | 37.4 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -69.8 | 132 | 157.2 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | Q913 | Q913-S915 VanDerWaalsContact C-N 3.35Å; Q913-S915 PolarHBondContact O-N 3.01Å | ||
| 916 | R | 27.7 | Very low | 39.3 | Very low | 200 Ų | 200 | 122.3 Ų | 122.3 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | trans | -133.7 | 51.2 | -176.7 | -85.1 | -164.5 | 174.4 | -153.9 | 1.4 | 113 | ||||
| 917 | T | 34.8 | Very low | 41.9 | Very low | 48 Ų | 48 | 120.6 Ų | 120.6 | 29% | 0.294 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -116.6 | 149.3 | 148.3 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | D1028 H1112 | T917-D1028 WeakPolarHBondContact CB-OD2 3.43Å; T917-D1028 PolarHBondContact OG1-OD2 3.04Å; T917-H1112 VanDerWaalsContact CG2-NE2 3.3Å; T917-H1112 WeakPolarHBondContact CG2-NE2 3.24Å |
| 918 | S | 35.1 | Very low | 44.7 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | trans | -61.9 | 128 | -178.9 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | I920 | S918-I920 PolarHBondContact O-N 2.91Š| ||
| 919 | P | 32.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | trans | -57.6 | 139.7 | 170.6 | 25.9 | -33.8 | 0 | 0 | 0 | 108.7 | R921 | P919-R921 VanDerWaalsContact C-N 3.28Å; P919-R921 PolarHBondContact O-N 3.31Å | ||
| 920 | I | 48.9 | Very low | 50.5 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | trans | -65.2 | 90.8 | -179.3 | -56.3 | 177.3 | 0 | 0 | 0 | 108.2 | S918 S922 L1022 | S918-I920 PolarHBondContact O-N 2.91Å; I920-S922 PolarHBondContact O-N 2.94Å; I920-L1022 HydrophobicContact CG2-CD1 3.81Å | ||
| 921 | R | 51.9 | Low | 53.6 | Low | 162 Ų | 162 | 107 Ų | 107 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | trans | -64 | 133.5 | 178.5 | -73.6 | -177.3 | 173.5 | -171.3 | -3.6 | 108.9 | P919 F923 | P919-R921 VanDerWaalsContact C-N 3.28Å; P919-R921 PolarHBondContact O-N 3.31Å; R921-F923 VanDerWaalsContact C-N 3.27Å; R921-F923 HydrophobicContact CB-CD2 4.08Å; R921-F923 HydrophobicContact CB-CE2 3.7Å; R921-F923 HydrophobicContact CB-CZ 4.37Å; R921-F923 VanDerWaalsContact O-CD2 3.24Å; R921-F923 WeakPolarHBondContact O-CD2 3.27Å; R921-F923 PolarHBondContact O-N 3.1Å | ||
| 922 | S | 47.4 | Very low | 56.8 | Low | 121 Ų | 121 | 106 Ų | 106 | 85% | 0.846 | 54% | 0.542 | S | S | * | . | trans | -75 | 77.6 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | I920 | I920-S922 PolarHBondContact O-N 2.94Š| ||
| 923 | F | 62.8 | Low | 59.8 | Low | 39 Ų | 39 | 99.6 Ų | 99.6 | 17% | 0.171 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 138.6 | 165.3 | -62.2 | -95.6 | 0 | 0 | 0 | 109.4 | R921 E925 K979 R981 | R921-F923 VanDerWaalsContact C-N 3.27Å; R921-F923 HydrophobicContact CB-CD2 4.08Å; R921-F923 HydrophobicContact CB-CE2 3.7Å; R921-F923 HydrophobicContact CB-CZ 4.37Å; R921-F923 VanDerWaalsContact O-CD2 3.24Å; R921-F923 WeakPolarHBondContact O-CD2 3.27Å; R921-F923 PolarHBondContact O-N 3.1Å; F923-E925 PolarHBondContact O-N 2.89Å; F923-K979 WeakPolarHBondContact CE1-O 3.44Å; F923-R981 HydrophobicContact CD2-CB 4.44Å; F923-R981 HydrophobicContact CD2-CG 4.21Å; F923-R981 HydrophobicContact CE2-CB 4.07Å; F923-R981 HydrophobicContact CE2-CG 4.3Å |
| 924 | P | 64.8 | Low | 62.5 | Low | 84 Ų | 84 | 96.9 Ų | 96.9 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 123.8 | 177.3 | 27 | -34.6 | 0 | 0 | 0 | 110.7 | V927 | P924-V927 HydrophobicContact CB-CG2 3.77Å; P924-V927 HydrophobicContact CG-CB 4.19Å; P924-V927 HydrophobicContact CG-CG2 3.69Å |
| 925 | E | 69.2 | Low | 64.9 | Low | 118 Ų | 118 | 88 Ų | 88 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 143.8 | -172.2 | -61 | -168.5 | 149.9 | 0 | 0 | 113.1 | F923 V927 H1019 A1021 | F923-E925 PolarHBondContact O-N 2.89Å; E925-V927 PolarHBondContact O-N 3.47Å; E925-H1019 CarbonylContact C-O 3.32Å; E925-H1019 WeakPolarHBondContact CA-O 3.32Å; E925-A1021 WeakPolarHBondContact OE1-CB 3.43Å |
| 926 | N | 71.5 | Confident | 67 | Low | 93 Ų | 93 | 85.9 Ų | 85.9 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 7 | -179.6 | -51.9 | -81.7 | 0 | 0 | 0 | 115.5 | H1019 | N926-H1019 PolarHBondContact N-O 3.02Š|
| 927 | V | 83.9 | Confident | 69 | Low | 62 Ų | 62 | 79.1 Ų | 79.1 | 38% | 0.376 | 44% | 0.439 | S | S | . | . | trans | -64.8 | 142.2 | 166.8 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | P924 E925 R1018 H1019 | P924-V927 HydrophobicContact CB-CG2 3.77Å; P924-V927 HydrophobicContact CG-CB 4.19Å; P924-V927 HydrophobicContact CG-CG2 3.69Å; E925-V927 PolarHBondContact O-N 3.47Å; V927-R1018 WeakPolarHBondContact O-CA 3.31Å; V927-H1019 PolarHBondContact O-N 3.31Å | ||
| 928 | I | 88.4 | Confident | 70.4 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.5 | 171.3 | -62.2 | 173.9 | 0 | 0 | 0 | 107.7 | L987 T1016 V1017 R1018 | I928-L987 HydrophobicContact CD1-CD1 3.79Å; I928-L987 HydrophobicContact CG1-CD1 3.96Å; I928-L987 HydrophobicContact CG2-CD1 4.13Å; I928-T1016 HydrophobicContact CG2-CG2 3.75Å; I928-V1017 CarbonylContact C-O 3.55Å; I928-V1017 VanDerWaalsContact CA-O 3.22Å; I928-V1017 WeakPolarHBondContact CA-O 3.4Å; I928-V1017 WeakPolarHBondContact CG2-O 3.46Å; I928-R1018 HydrophobicContact CG1-CB 4.16Å; I928-R1018 HydrophobicContact CG1-CG 4.15Å |
| 929 | E | 89.2 | Confident | 72.2 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 24% | 0.243 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.4 | 178.8 | -169.5 | 173.4 | 147.9 | 0 | 0 | 111 | V931 K979 V1017 H1019 | E929-V931 HydrophobicContact CG-CG2 4.19Å; E929-K979 VanDerWaalsContact OE1-CD 3.28Å; E929-K979 WeakPolarHBondContact OE1-CD 3.43Å; E929-K979 WeakPolarHBondContact OE1-CE 3.49Å; E929-K979 VanDerWaalsContact OE1-CG 3.28Å; E929-K979 WeakPolarHBondContact OE1-CG 3.31Å; E929-K979 IonicContact OE1-NZ 2.68Å; E929-K979 PolarHBondContact OE1-NZ 2.87Å; E929-V1017 HydrophobicContact CB-CG2 4.49Å; E929-V1017 PolarHBondContact N-O 2.87Å; E929-V1017 WeakPolarHBondContact O-CG2 3.36Å; E929-V1017 PolarHBondContact O-N 2.82Å; E929-H1019 IonicContact OE2-NE2 3.64Å |
| 930 | D | 92.3 | Very high | 74.7 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.7 | 170.7 | -77.5 | -38.8 | 0 | 0 | 0 | 110.4 | L1014 T1016 | D930-L1014 HydrophobicContact CB-CD1 4.11Å; D930-T1016 WeakPolarHBondContact OD1-CA 3.42Å; D930-T1016 VanDerWaalsContact OD1-CB 3.24Å; D930-T1016 WeakPolarHBondContact OD1-CB 3.5Å; D930-T1016 WeakPolarHBondContact OD1-CG2 3.49Å; D930-T1016 PolarHBondContact OD1-OG1 3.13Å |
| 931 | V | 91.8 | Very high | 76.4 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.7 | -176.4 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | E929 V933 T977 K979 L980 L1015 V1017 | E929-V931 HydrophobicContact CG-CG2 4.19Å; V931-V933 HydrophobicContact CG1-CG2 4.18Å; V931-T977 HydrophobicContact CG1-CG2 3.86Å; V931-K979 HydrophobicContact CG1-CB 3.94Å; V931-K979 HydrophobicContact CG1-CD 3.99Å; V931-K979 HydrophobicContact CG2-CB 3.74Å; V931-K979 HydrophobicContact CG2-CD 4.22Å; V931-L980 HydrophobicContact CB-CD2 4.01Å; V931-L980 HydrophobicContact CB-CG 4.4Å; V931-L980 HydrophobicContact CG1-CD1 4.18Å; V931-L980 HydrophobicContact CG1-CD2 4.17Å; V931-L980 HydrophobicContact CG1-CG 3.99Å; V931-L980 HydrophobicContact CG2-CD2 3.83Å; V931-L980 HydrophobicContact CG2-CG 4.4Å; V931-L1015 PolarHBondContact N-O 2.85Å; V931-L1015 PolarHBondContact O-N 2.82Å; V931-V1017 HydrophobicContact CG2-CG2 4.12Å |
| 932 | K | 91.4 | Very high | 78.2 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.6 | 169.5 | -74.6 | 165.6 | 160 | -80.5 | 0 | 110.5 | T977 E1012 V1013 L1014 | K932-T977 WeakPolarHBondContact O-CG2 3.3Å; K932-E1012 HydrophobicContact CB-CG 4.3Å; K932-E1012 VanDerWaalsContact CD-OE1 3.29Å; K932-E1012 WeakPolarHBondContact CD-OE1 3.38Å; K932-E1012 HydrophobicContact CG-CG 4.46Å; K932-E1012 WeakPolarHBondContact CG-OE1 3.21Å; K932-E1012 IonicContact NZ-OE1 3.91Å; K932-E1012 PolarHBondContact NZ-OE1 2.77Å; K932-E1012 IonicContact NZ-OE2 3.28Å; K932-E1012 PolarHBondContact NZ-OE2 3.09Å; K932-V1013 CarbonylContact C-O 3.3Å; K932-L1014 HydrophobicContact CG-CD1 3.78Å |
| 933 | V | 90 | Very high | 80.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 108.4 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | V931 K935 L940 A973 A974 T977 L980 V1013 L1015 | V931-V933 HydrophobicContact CG1-CG2 4.18Å; V933-K935 PolarHBondContact O-N 3.36Å; V933-L940 HydrophobicContact CB-CD2 4.34Å; V933-L940 HydrophobicContact CG1-CB 4.34Å; V933-L940 HydrophobicContact CG1-CD2 4.08Å; V933-L940 HydrophobicContact CG1-CG 4.1Å; V933-A973 HydrophobicContact CG1-CB 3.75Å; V933-A974 HydrophobicContact CG1-CB 4.4Å; V933-T977 HydrophobicContact CG2-CG2 4Å; V933-L980 HydrophobicContact CG2-CD1 4.02Å; V933-V1013 PolarHBondContact N-O 2.76Å; V933-V1013 PolarHBondContact O-N 3.31Å; V933-L1015 HydrophobicContact CG2-CD1 3.71Å; V933-L1015 HydrophobicContact CG2-CG 4.24Å |
| 934 | Q | 84.8 | Confident | 81.4 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 111.2 | 175 | -168.5 | 67.9 | 15.1 | 0 | 0 | 110.3 | S936 A973 | Q934-S936 PolarHBondContact O-N 3.01Å; Q934-A973 WeakPolarHBondContact O-CB 3.45Å |
| 935 | K | 78.3 | Confident | 82.5 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | trans | -59.5 | 133.4 | -174.3 | -60.6 | -164.1 | -176.7 | -171.4 | 0 | 112 | V933 G937 L940 L1006 M1007 A1008 S1010 T1011 V1013 | V933-K935 PolarHBondContact O-N 3.36Å; K935-G937 VanDerWaalsContact CB-O 3.31Å; K935-G937 WeakPolarHBondContact CB-O 3.34Å; K935-G937 PolarHBondContact O-N 2.78Å; K935-L940 HydrophobicContact CD-CD1 4.09Å; K935-L940 HydrophobicContact CG-CD1 4.15Å; K935-L940 HydrophobicContact CG-CG 4.42Å; K935-L1006 WeakPolarHBondContact CE-O 3.33Å; K935-L1006 PolarHBondContact NZ-O 2.78Å; K935-M1007 PolarHBondContact NZ-O 3.43Å; K935-A1008 PolarHBondContact NZ-O 2.95Å; K935-S1010 WeakPolarHBondContact CD-O 3.28Å; K935-S1010 WeakPolarHBondContact CE-O 3.13Å; K935-T1011 PolarHBondContact N-O 3.09Å; K935-V1013 HydrophobicContact CD-CG2 4.21Å; K935-V1013 HydrophobicContact CG-CG2 4Å | ||
| 936 | S | 70.6 | Confident | 83.3 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 88.4 | 169.2 | 40.3 | 0 | 0 | 0 | 0 | 109 | Q934 A939 | Q934-S936 PolarHBondContact O-N 3.01Å; S936-A939 PolarHBondContact N-O 2.92Å; S936-A939 PolarHBondContact O-N 3.4Å; S936-A939 PolarHBondContact OG-O 3.13Å |
| 937 | G | 69 | Low | 83.9 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -138.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K935 A939 | K935-G937 VanDerWaalsContact CB-O 3.31Å; K935-G937 WeakPolarHBondContact CB-O 3.34Å; K935-G937 PolarHBondContact O-N 2.78Å; G937-A939 PolarHBondContact O-N 2.71Å |
| 938 | N | 65.5 | Low | 83.9 | Confident | 144 Ų | 144 | 49 Ų | 49 | 77% | 0.77 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.9 | -179.9 | -66.5 | 1.7 | 0 | 0 | 0 | 114.1 | ||
| 939 | A | 72.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 48 Ų | 48 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -120.8 | 125.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S936 G937 G941 | S936-A939 PolarHBondContact N-O 2.92Å; S936-A939 PolarHBondContact O-N 3.4Å; S936-A939 PolarHBondContact OG-O 3.13Å; G937-A939 PolarHBondContact O-N 2.71Å; A939-G941 VanDerWaalsContact C-N 3.34Å |
| 940 | L | 84.2 | Confident | 82.9 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | trans | -74.4 | -23.2 | 164.3 | -78.2 | 83.5 | 0 | 0 | 0 | 112.3 | V933 K935 L942 A973 A974 L1006 V1013 L1015 | V933-L940 HydrophobicContact CB-CD2 4.34Å; V933-L940 HydrophobicContact CG1-CB 4.34Å; V933-L940 HydrophobicContact CG1-CD2 4.08Å; V933-L940 HydrophobicContact CG1-CG 4.1Å; K935-L940 HydrophobicContact CD-CD1 4.09Å; K935-L940 HydrophobicContact CG-CD1 4.15Å; K935-L940 HydrophobicContact CG-CG 4.42Å; L940-L942 VanDerWaalsContact C-N 3.34Å; L940-L942 HydrophobicContact CB-CD2 4.37Å; L940-L942 HydrophobicContact CB-CG 4.04Å; L940-L942 HydrophobicContact CD2-CD2 3.99Å; L940-L942 HydrophobicContact CD2-CG 4.39Å; L940-A973 WeakPolarHBondContact O-CB 3.47Å; L940-A973 PolarHBondContact O-N 2.83Å; L940-A974 VanDerWaalsContact O-CB 3.28Å; L940-A974 WeakPolarHBondContact O-CB 3.49Å; L940-A974 PolarHBondContact O-N 2.89Å; L940-L1006 HydrophobicContact CD2-CD2 4.11Å; L940-V1013 HydrophobicContact CD1-CG2 4.34Å; L940-V1013 HydrophobicContact CD2-CB 4.23Å; L940-V1013 HydrophobicContact CD2-CG1 4.37Å; L940-V1013 HydrophobicContact CD2-CG2 4.34Å; L940-L1015 HydrophobicContact CD2-CD1 4.22Å; L940-L1015 HydrophobicContact CD2-CD2 4.48Å | ||
| 941 | G | 85.7 | Confident | 82.2 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 68.7 | 32.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A939 V969 | A939-G941 VanDerWaalsContact C-N 3.34Å; G941-V969 VanDerWaalsContact O-CB 3.32Å; G941-V969 WeakPolarHBondContact O-CB 3.22Å; G941-V969 WeakPolarHBondContact O-CG2 3.31Å; G941-V969 PolarHBondContact O-N 2.64Å |
| 942 | L | 88.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 168.9 | 164.4 | 65.4 | 77.8 | 0 | 0 | 0 | 109.9 | L940 I944 K967 A974 L980 L1006 L1015 | L940-L942 VanDerWaalsContact C-N 3.34Å; L940-L942 HydrophobicContact CB-CD2 4.37Å; L940-L942 HydrophobicContact CB-CG 4.04Å; L940-L942 HydrophobicContact CD2-CD2 3.99Å; L940-L942 HydrophobicContact CD2-CG 4.39Å; L942-I944 HydrophobicContact CD1-CG2 3.96Å; L942-K967 CarbonylContact C-O 3.53Å; L942-K967 VanDerWaalsContact CA-O 3.28Å; L942-K967 WeakPolarHBondContact CA-O 3.32Å; L942-A974 HydrophobicContact CB-CB 3.87Å; L942-A974 HydrophobicContact CD2-CB 4.01Å; L942-A974 HydrophobicContact CG-CB 4.31Å; L942-L980 HydrophobicContact CD2-CD1 4.3Å; L942-L1006 HydrophobicContact CD1-CD1 4.22Å; L942-L1015 HydrophobicContact CD2-CD1 3.65Å |
| 943 | S | 87.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.5 | 170.9 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | I965 S966 K967 | S943-I965 CarbonylContact O-C 3.35Å; S943-I965 WeakPolarHBondContact O-CA 3.46Å; S943-S966 WeakPolarHBondContact CB-OG 3.41Å; S943-S966 PolarHBondContact O-N 3.06Å; S943-S966 PolarHBondContact O-OG 2.93Å; S943-K967 PolarHBondContact N-O 3.04Å; S943-K967 PolarHBondContact O-N 3.28Å |
| 944 | I | 90.5 | Very high | 81.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 165.5 | 178.7 | 56.7 | 164.7 | 0 | 0 | 0 | 111.9 | L942 I963 F964 S966 A1002 V1003 L1006 | L942-I944 HydrophobicContact CD1-CG2 3.96Å; I944-I963 HydrophobicContact CB-CG2 3.9Å; I944-I963 HydrophobicContact CD1-CG2 3.72Å; I944-I963 HydrophobicContact CG1-CG2 4.42Å; I944-I963 HydrophobicContact CG2-CG2 3.97Å; I944-F964 CarbonylContact C-O 3.56Å; I944-F964 WeakPolarHBondContact CA-O 3.31Å; I944-F964 WeakPolarHBondContact CB-O 3.29Å; I944-S966 VanDerWaalsContact C-OG 3.23Å; I944-S966 PolarHBondContact N-OG 3.21Å; I944-S966 PolarHBondContact O-OG 3.07Å; I944-S966 VanDerWaalsContact O-OG 3.09Å; I944-A1002 HydrophobicContact CD1-CB 3.71Å; I944-V1003 HydrophobicContact CD1-CG2 3.95Å; I944-V1003 HydrophobicContact CG1-CG2 4.33Å; I944-L1006 HydrophobicContact CD1-CD1 3.87Å; I944-L1006 HydrophobicContact CG1-CD1 4.32Å; I944-L1006 HydrophobicContact CG2-CD1 4.04Å |
| 945 | V | 87.5 | Confident | 81.3 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 161.7 | 172.7 | 68.8 | 0 | 0 | 0 | 0 | 109.2 | F955 F964 L1093 | V945-F955 HydrophobicContact CG1-CD2 3.66Å; V945-F955 HydrophobicContact CG1-CE2 3.85Å; V945-F964 HydrophobicContact CG1-CB 4.19Å; V945-F964 PolarHBondContact N-O 3.08Å; V945-F964 PolarHBondContact O-N 3.05Å; V945-L1093 HydrophobicContact CB-CD1 4.42Å; V945-L1093 HydrophobicContact CG1-CD1 4.14Å; V945-L1093 HydrophobicContact CG2-CB 4.14Å; V945-L1093 HydrophobicContact CG2-CD1 4.28Å |
| 946 | G | 85.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | 80.9 | -180 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | H950 S951 G962 I963 H999 | G946-H950 CarbonylContact C-O 3.52Å; G946-H950 WeakPolarHBondContact CA-O 3.17Å; G946-S951 WeakPolarHBondContact CA-O 3.4Å; G946-S951 PolarHBondContact N-O 3.25Å; G946-G962 CarbonylContact C-O 3.49Å; G946-G962 WeakPolarHBondContact CA-O 3.35Å; G946-I963 WeakPolarHBondContact O-CD1 3.36Å; G946-H999 WeakPolarHBondContact O-CB 3.32Å; G946-H999 PolarHBondContact O-ND1 3.33Å | ||
| 947 | G | 85.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | 158.6 | -171.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D949 H950 G962 A997 | G947-D949 VanDerWaalsContact C-N 3.28Å; G947-H950 PolarHBondContact N-O 3.25Å; G947-G962 PolarHBondContact N-O 3.35Å; G947-A997 WeakPolarHBondContact CA-O 3.39Å | ||
| 948 | I | 82.8 | Confident | 80.2 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -82.2 | -10.6 | 163.3 | 55.2 | 167.3 | 0 | 0 | 0 | 113 | Q407 C409 A996 A997 T998 | Q407-I948 WeakPolarHBondContact O-CD1 3.39Å; C409-I948 VanDerWaalsContact SG-CD1 3.52Å; I948-A996 VanDerWaalsContact CD1-O 3.28Å; I948-A996 WeakPolarHBondContact CD1-O 3.42Å; I948-A996 WeakPolarHBondContact CG1-O 3.47Å; I948-A996 HydrophobicContact CG2-CB 3.88Å; I948-A996 WeakPolarHBondContact CG2-O 3.41Å; I948-A997 PolarHBondContact N-O 2.71Å; I948-T998 HydrophobicContact CD1-CG2 4.09Å; I948-T998 HydrophobicContact CG1-CG2 3.86Å |
| 949 | D | 81.8 | Confident | 80 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -112.6 | -12 | -176.9 | 63.4 | -45.7 | 0 | 0 | 0 | 113.5 | G947 T998 H999 | G947-D949 VanDerWaalsContact C-N 3.28Å; D949-T998 HydrophobicContact CB-CG2 4.34Å; D949-T998 WeakPolarHBondContact OD1-CA 3.34Å; D949-T998 WeakPolarHBondContact OD1-CB 3.41Å; D949-H999 PolarHBondContact OD1-N 2.65Å |
| 950 | H | 75.4 | Confident | 80 | Confident | 102 Ų | 102 | 39.2 Ų | 39.2 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -132.1 | 140.9 | -175.3 | -84.8 | 81.4 | 0 | 0 | 0 | 111.7 | G946 G947 H999 | G946-H950 CarbonylContact C-O 3.52Å; G946-H950 WeakPolarHBondContact CA-O 3.17Å; G947-H950 PolarHBondContact N-O 3.25Å; H950-H999 HydrophobicContact CB-CB 4.09Å |
| 951 | S | 77.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | trans | -61.4 | 139.5 | 177.6 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | G946 H953 S1057 | G946-S951 WeakPolarHBondContact CA-O 3.4Å; G946-S951 PolarHBondContact N-O 3.25Å; S951-H953 PolarHBondContact OG-CD2 3.31Å; S951-S1057 WeakPolarHBondContact CB-O 3.33Å; S951-S1057 PolarHBondContact OG-O 2.93Å | ||
| 952 | C | 82.3 | Confident | 79.7 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | trans | -110.5 | -3.6 | -177 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | F955 F964 | C952-F955 WeakPolarHBondContact O-CA 3.44Å; C952-F955 WeakPolarHBondContact O-CB 3.21Å; C952-F955 PolarHBondContact O-N 2.96Å; C952-F964 HydrophobicContact CB-CD2 3.74Å; C952-F964 HydrophobicContact CB-CE2 3.58Å | ||
| 953 | H | 83.7 | Confident | 79.9 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 141.4 | -180 | -61.4 | -74.6 | 0 | 0 | 0 | 111.7 | S951 D1055 D1058 | S951-H953 PolarHBondContact OG-CD2 3.31Å; H953-D1055 IonicContact CE1-OD2 2.71Å; H953-D1055 IonicContact NE2-OD2 3.71Å; H953-D1055 PolarHBondContact NE2-OD2 3.26Å; H953-D1058 IonicContact CG-OD1 3.17Å |
| 954 | P | 86.6 | Confident | 80.1 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 16% | 0.156 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85 | 8.2 | 8.1 | 34.1 | -36.7 | 0 | 0 | 0 | 116 | P1023 I1085 | P954-P1023 HydrophobicContact CB-CB 4.05Å; P954-P1023 HydrophobicContact CB-CG 3.86Å; P954-P1023 HydrophobicContact CG-CB 4.26Å; P954-P1023 HydrophobicContact CG-CG 3.71Å; P954-I1085 HydrophobicContact CG-CD1 3.83Å; P954-I1085 HydrophobicContact CG-CG1 4.24Å |
| 955 | F | 87.1 | Confident | 80.1 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -85.2 | 178.5 | -176.9 | -49 | -62.7 | 0 | 0 | 0 | 112.9 | V945 C952 G957 F964 L982 P1023 L1093 | V945-F955 HydrophobicContact CG1-CD2 3.66Å; V945-F955 HydrophobicContact CG1-CE2 3.85Å; C952-F955 WeakPolarHBondContact O-CA 3.44Å; C952-F955 WeakPolarHBondContact O-CB 3.21Å; C952-F955 PolarHBondContact O-N 2.96Å; F955-G957 VanDerWaalsContact C-N 3.29Å; F955-G957 PolarHBondContact O-N 2.84Å; F955-G957 VanDerWaalsContact O-N 3.12Å; F955-F964 HydrophobicContact CB-CB 4.07Å; F955-F964 HydrophobicContact CB-CD1 3.69Å; F955-F964 HydrophobicContact CB-CD2 3.96Å; F955-F964 HydrophobicContact CB-CE1 4.11Å; F955-F964 HydrophobicContact CB-CE2 4.36Å; F955-F964 HydrophobicContact CB-CG 3.61Å; F955-F964 HydrophobicContact CB-CZ 4.43Å; F955-F964 HydrophobicContact CD2-CB 4.01Å; F955-F964 HydrophobicContact CD2-CG 4.45Å; F955-F964 HydrophobicContact CG-CB 4.18Å; F955-F964 HydrophobicContact CG-CD1 4.5Å; F955-F964 HydrophobicContact CG-CG 4.27Å; F955-L982 HydrophobicContact CE1-CD2 3.6Å; F955-L982 HydrophobicContact CE1-CG 4.25Å; F955-L982 HydrophobicContact CZ-CD2 3.74Å; F955-L982 HydrophobicContact CZ-CG 3.95Å; F955-P1023 HydrophobicContact CD1-CG 3.86Å; F955-P1023 HydrophobicContact CE1-CG 3.79Å; F955-L1093 HydrophobicContact CE2-CD1 3.74Å; F955-L1093 HydrophobicContact CZ-CD1 4.48Å |
| 956 | G | 73.3 | Confident | 80.1 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | trans | 83.3 | -31.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | T958 A959 G960 | G956-T958 PolarHBondContact O-N 3.03Å; G956-T958 VanDerWaalsContact O-N 3.15Å; G956-A959 CarbonylContact O-C 3.54Å; G956-A959 WeakPolarHBondContact O-CA 3.2Å; G956-A959 PolarHBondContact O-N 2.56Å; G956-G960 PolarHBondContact O-N 2.84Å | ||
| 957 | G | 67.3 | Low | 80 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 76% | 0.763 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | 37 | -111.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F955 | F955-G957 VanDerWaalsContact C-N 3.29Å; F955-G957 PolarHBondContact O-N 2.84Å; F955-G957 VanDerWaalsContact O-N 3.12Å |
| 958 | T | 52.9 | Low | 80.1 | Confident | 147 Ų | 147 | 38.1 Ų | 38.1 | 90% | 0.902 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -83.9 | -5.2 | -177.8 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | G956 | G956-T958 PolarHBondContact O-N 3.03Å; G956-T958 VanDerWaalsContact O-N 3.15Å |
| 959 | A | 62.4 | Low | 80.3 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -110.9 | 5.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G956 R985 | G956-A959 CarbonylContact O-C 3.54Å; G956-A959 WeakPolarHBondContact O-CA 3.2Å; G956-A959 PolarHBondContact O-N 2.56Å; A959-R985 VanDerWaalsContact CB-NH2 3.27Å; A959-R985 PolarHBondContact O-NH2 3.01Å |
| 960 | G | 72.2 | Confident | 80 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | trans | 74.4 | -176.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | G956 R985 | G956-G960 PolarHBondContact O-N 2.84Å; G960-R985 PolarHBondContact O-NH1 3.12Å; G960-R985 PolarHBondContact O-NH2 3Å | ||
| 961 | P | 78 | Confident | 80.3 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -63.3 | 162.1 | -176.8 | 27.6 | -36 | 0 | 0 | 0 | 113.1 | R985 | P961-R985 PolarHBondContact O-NH1 2.91Š|
| 962 | G | 86.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | 166.5 | -173.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G946 G947 F964 | G946-G962 CarbonylContact C-O 3.49Å; G946-G962 WeakPolarHBondContact CA-O 3.35Å; G947-G962 PolarHBondContact N-O 3.35Å; G962-F964 VanDerWaalsContact O-CD2 3.28Å; G962-F964 WeakPolarHBondContact O-CD2 3.12Å; G962-F964 WeakPolarHBondContact O-CE2 3.43Å | ||
| 963 | I | 91.7 | Very high | 80.8 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.7 | 174 | -52.9 | -63.7 | 0 | 0 | 0 | 109.7 | I944 G946 R985 L986 M994 A1002 | I944-I963 HydrophobicContact CB-CG2 3.9Å; I944-I963 HydrophobicContact CD1-CG2 3.72Å; I944-I963 HydrophobicContact CG1-CG2 4.42Å; I944-I963 HydrophobicContact CG2-CG2 3.97Å; G946-I963 WeakPolarHBondContact O-CD1 3.36Å; I963-R985 CarbonylContact O-C 3.45Å; I963-R985 WeakPolarHBondContact O-CA 3.07Å; I963-R985 WeakPolarHBondContact O-CG 3.38Å; I963-L986 HydrophobicContact CB-CB 4.18Å; I963-L986 HydrophobicContact CG2-CB 3.99Å; I963-L986 HydrophobicContact CG2-CD2 3.97Å; I963-L986 PolarHBondContact O-N 3.29Å; I963-M994 HydrophobicContact CG1-CB 4.39Å; I963-A1002 HydrophobicContact CD1-CB 3.54Å; I963-A1002 HydrophobicContact CG1-CB 3.7Å; I963-A1002 HydrophobicContact CG2-CB 4.13Å |
| 964 | F | 91.9 | Very high | 81 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.2 | 179 | -57.9 | -91.7 | 0 | 0 | 0 | 111.6 | I944 V945 C952 F955 G962 S966 D984 R985 | I944-F964 CarbonylContact C-O 3.56Å; I944-F964 WeakPolarHBondContact CA-O 3.31Å; I944-F964 WeakPolarHBondContact CB-O 3.29Å; V945-F964 HydrophobicContact CG1-CB 4.19Å; V945-F964 PolarHBondContact N-O 3.08Å; V945-F964 PolarHBondContact O-N 3.05Å; C952-F964 HydrophobicContact CB-CD2 3.74Å; C952-F964 HydrophobicContact CB-CE2 3.58Å; F955-F964 HydrophobicContact CB-CB 4.07Å; F955-F964 HydrophobicContact CB-CD1 3.69Å; F955-F964 HydrophobicContact CB-CD2 3.96Å; F955-F964 HydrophobicContact CB-CE1 4.11Å; F955-F964 HydrophobicContact CB-CE2 4.36Å; F955-F964 HydrophobicContact CB-CG 3.61Å; F955-F964 HydrophobicContact CB-CZ 4.43Å; F955-F964 HydrophobicContact CD2-CB 4.01Å; F955-F964 HydrophobicContact CD2-CG 4.45Å; F955-F964 HydrophobicContact CG-CB 4.18Å; F955-F964 HydrophobicContact CG-CD1 4.5Å; F955-F964 HydrophobicContact CG-CG 4.27Å; G962-F964 VanDerWaalsContact O-CD2 3.28Å; G962-F964 WeakPolarHBondContact O-CD2 3.12Å; G962-F964 WeakPolarHBondContact O-CE2 3.43Å; F964-S966 PolarHBondContact O-N 3.41Å; F964-S966 VanDerWaalsContact O-N 3.16Å; F964-D984 CarbonylContact C-O 3.36Å; F964-D984 WeakPolarHBondContact CA-O 3.49Å; F964-R985 HydrophobicContact CD1-CB 3.87Å; F964-R985 HydrophobicContact CD1-CG 4.25Å; F964-R985 HydrophobicContact CE1-CB 3.73Å; F964-R985 HydrophobicContact CE1-CG 3.92Å; F964-R985 HydrophobicContact CZ-CG 4.3Å; F964-R985 VanDerWaalsContact CZ-CZ 3.49Å |
| 965 | I | 90.8 | Very high | 81 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 106 | 171.5 | -61 | -176.5 | 0 | 0 | 0 | 108.7 | S943 K967 V968 L980 L982 G983 D984 V1017 | S943-I965 CarbonylContact O-C 3.35Å; S943-I965 WeakPolarHBondContact O-CA 3.46Å; I965-K967 WeakPolarHBondContact CG2-O 3.24Å; I965-V968 HydrophobicContact CG2-CG2 3.64Å; I965-L980 HydrophobicContact CD1-CB 4.27Å; I965-L980 HydrophobicContact CD1-CD2 3.91Å; I965-L980 HydrophobicContact CD1-CG 4.46Å; I965-L982 WeakPolarHBondContact O-CA 3.08Å; I965-G983 PolarHBondContact O-N 2.93Å; I965-D984 HydrophobicContact CD1-CB 4.24Å; I965-D984 HydrophobicContact CG1-CB 4.49Å; I965-D984 PolarHBondContact N-O 2.99Å; I965-V1017 HydrophobicContact CD1-CG1 4.38Å |
| 966 | S | 86.7 | Confident | 81 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -25.6 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | S943 I944 F964 L982 | S943-S966 WeakPolarHBondContact CB-OG 3.41Å; S943-S966 PolarHBondContact O-N 3.06Å; S943-S966 PolarHBondContact O-OG 2.93Å; I944-S966 VanDerWaalsContact C-OG 3.23Å; I944-S966 PolarHBondContact N-OG 3.21Å; I944-S966 PolarHBondContact O-OG 3.07Å; I944-S966 VanDerWaalsContact O-OG 3.09Å; F964-S966 PolarHBondContact O-N 3.41Å; F964-S966 VanDerWaalsContact O-N 3.16Å; S966-L982 WeakPolarHBondContact O-CD1 3.26Å |
| 967 | K | 85.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 148.5 | 176 | -158.2 | -169.7 | -180 | 97.6 | 0 | 112.4 | L942 S943 I965 E1086 N1089 | L942-K967 CarbonylContact C-O 3.53Å; L942-K967 VanDerWaalsContact CA-O 3.28Å; L942-K967 WeakPolarHBondContact CA-O 3.32Å; S943-K967 PolarHBondContact N-O 3.04Å; S943-K967 PolarHBondContact O-N 3.28Å; I965-K967 WeakPolarHBondContact CG2-O 3.24Å; K967-E1086 VanDerWaalsContact CD-OE1 3.29Å; K967-E1086 WeakPolarHBondContact CD-OE1 3.27Å; K967-E1086 WeakPolarHBondContact CG-OE1 3.48Å; K967-E1086 IonicContact NZ-OE1 3.61Å; K967-E1086 PolarHBondContact NZ-OE1 2.97Å; K967-E1086 IonicContact NZ-OE2 3.01Å; K967-E1086 PolarHBondContact NZ-OE2 3.18Å; K967-N1089 PolarHBondContact NZ-O 3.29Å; K967-N1089 PolarHBondContact NZ-OD1 2.98Å |
| 968 | V | 87.3 | Confident | 82.6 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.2 | 162.4 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | I965 A974 G975 L980 | I965-V968 HydrophobicContact CG2-CG2 3.64Å; V968-A974 HydrophobicContact CG1-CB 4.13Å; V968-G975 VanDerWaalsContact CG1-CA 3.5Å; V968-L980 HydrophobicContact CG2-CB 4.13Å |
| 969 | V | 85.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | trans | -85.8 | 120 | 173.5 | 180 | 0 | 0 | 0 | 0 | 108.1 | G941 D971 G972 G975 | G941-V969 VanDerWaalsContact O-CB 3.32Å; G941-V969 WeakPolarHBondContact O-CB 3.22Å; G941-V969 WeakPolarHBondContact O-CG2 3.31Å; G941-V969 PolarHBondContact O-N 2.64Å; V969-D971 PolarHBondContact O-N 2.9Å; V969-G972 PolarHBondContact O-N 3.24Å; V969-G975 WeakPolarHBondContact O-CA 3.33Å | ||
| 970 | P | 76.8 | Confident | 85.6 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 43% | 0.429 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -48.2 | -171.1 | -30.1 | 36.1 | 0 | 0 | 0 | 114.8 | G972 G975 | P970-G972 VanDerWaalsContact C-N 3.33Å; P970-G975 CarbonylContact O-C 3.4Å; P970-G975 VanDerWaalsContact O-C 3.3Å; P970-G975 WeakPolarHBondContact O-CA 3.1Å |
| 971 | D | 80.8 | Confident | 86.4 | Confident | 128 Ų | 128 | 37.4 Ų | 37.4 | 68% | 0.684 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.2 | 179.9 | -53.2 | -62.6 | 0 | 0 | 0 | 113.3 | V969 R976 | V969-D971 PolarHBondContact O-N 2.9Å; D971-R976 PolarHBondContact O-NE 3.28Å |
| 972 | G | 82.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -70 | 169.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V969 P970 A974 G975 R976 | V969-G972 PolarHBondContact O-N 3.24Å; P970-G972 VanDerWaalsContact C-N 3.33Å; G972-A974 VanDerWaalsContact C-N 3.29Å; G972-A974 PolarHBondContact O-N 3.14Å; G972-G975 PolarHBondContact O-N 3.13Å; G972-R976 WeakPolarHBondContact O-CB 3.4Å; G972-R976 VanDerWaalsContact O-CG 3.32Å; G972-R976 WeakPolarHBondContact O-CG 3.42Å; G972-R976 PolarHBondContact O-N 3.27Å; G972-R976 PolarHBondContact O-NE 3.42Å |
| 973 | A | 87.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V933 Q934 L940 | V933-A973 HydrophobicContact CG1-CB 3.75Å; Q934-A973 WeakPolarHBondContact O-CB 3.45Å; L940-A973 WeakPolarHBondContact O-CB 3.47Å; L940-A973 PolarHBondContact O-N 2.83Å |
| 974 | A | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V933 L940 L942 V968 G972 R976 T977 L980 | V933-A974 HydrophobicContact CG1-CB 4.4Å; L940-A974 VanDerWaalsContact O-CB 3.28Å; L940-A974 WeakPolarHBondContact O-CB 3.49Å; L940-A974 PolarHBondContact O-N 2.89Å; L942-A974 HydrophobicContact CB-CB 3.87Å; L942-A974 HydrophobicContact CD2-CB 4.01Å; L942-A974 HydrophobicContact CG-CB 4.31Å; V968-A974 HydrophobicContact CG1-CB 4.13Å; G972-A974 VanDerWaalsContact C-N 3.29Å; G972-A974 PolarHBondContact O-N 3.14Å; A974-R976 PolarHBondContact O-N 2.87Å; A974-T977 WeakPolarHBondContact O-CB 3.34Å; A974-T977 PolarHBondContact O-N 3.49Å; A974-T977 PolarHBondContact O-OG1 3.01Å; A974-L980 HydrophobicContact CB-CD1 3.87Å |
| 975 | G | 86.7 | Confident | 86.9 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -63.6 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V968 V969 P970 G972 T977 G978 | V968-G975 VanDerWaalsContact CG1-CA 3.5Å; V969-G975 WeakPolarHBondContact O-CA 3.33Å; P970-G975 CarbonylContact O-C 3.4Å; P970-G975 VanDerWaalsContact O-C 3.3Å; P970-G975 WeakPolarHBondContact O-CA 3.1Å; G972-G975 PolarHBondContact O-N 3.13Å; G975-T977 PolarHBondContact O-N 3.2Å; G975-T977 VanDerWaalsContact O-N 3.13Å; G975-G978 PolarHBondContact O-N 2.94Å |
| 976 | R | 86.3 | Confident | 87 | Confident | 167 Ų | 167 | 36.3 Ų | 36.3 | 63% | 0.63 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -63.5 | -14 | 175.4 | -71.8 | -176.8 | -63.9 | 157.6 | 3.7 | 114.4 | D971 G972 A974 G978 | D971-R976 PolarHBondContact O-NE 3.28Å; G972-R976 WeakPolarHBondContact O-CB 3.4Å; G972-R976 VanDerWaalsContact O-CG 3.32Å; G972-R976 WeakPolarHBondContact O-CG 3.42Å; G972-R976 PolarHBondContact O-N 3.27Å; G972-R976 PolarHBondContact O-NE 3.42Å; A974-R976 PolarHBondContact O-N 2.87Å; R976-G978 VanDerWaalsContact C-N 3.32Å |
| 977 | T | 88.3 | Confident | 87.3 | Confident | 36 Ų | 36 | 37.6 Ų | 37.6 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -71.4 | -27 | 169.9 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | V931 K932 V933 A974 G975 K979 | V931-T977 HydrophobicContact CG1-CG2 3.86Å; K932-T977 WeakPolarHBondContact O-CG2 3.3Å; V933-T977 HydrophobicContact CG2-CG2 4Å; A974-T977 WeakPolarHBondContact O-CB 3.34Å; A974-T977 PolarHBondContact O-N 3.49Å; A974-T977 PolarHBondContact O-OG1 3.01Å; G975-T977 PolarHBondContact O-N 3.2Å; G975-T977 VanDerWaalsContact O-N 3.13Å; T977-K979 PolarHBondContact O-N 2.82Å; T977-K979 VanDerWaalsContact O-N 3.1Å; T977-K979 PolarHBondContact OG1-N 3.02Å |
| 978 | G | 86.8 | Confident | 87.6 | Confident | 34 Ų | 34 | 36.8 Ų | 36.8 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 64.2 | 3.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G975 R976 | G975-G978 PolarHBondContact O-N 2.94Å; R976-G978 VanDerWaalsContact C-N 3.32Å |
| 979 | K | 88.3 | Confident | 87.9 | Confident | 87 Ų | 87 | 35.3 Ų | 35.3 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | trans | -102.6 | -21.9 | -171.7 | -71.6 | 161.7 | 166.6 | -81.8 | 0 | 114.3 | F923 E929 V931 T977 H1019 | F923-K979 WeakPolarHBondContact CE1-O 3.44Å; E929-K979 VanDerWaalsContact OE1-CD 3.28Å; E929-K979 WeakPolarHBondContact OE1-CD 3.43Å; E929-K979 WeakPolarHBondContact OE1-CE 3.49Å; E929-K979 VanDerWaalsContact OE1-CG 3.28Å; E929-K979 WeakPolarHBondContact OE1-CG 3.31Å; E929-K979 IonicContact OE1-NZ 2.68Å; E929-K979 PolarHBondContact OE1-NZ 2.87Å; V931-K979 HydrophobicContact CG1-CB 3.94Å; V931-K979 HydrophobicContact CG1-CD 3.99Å; V931-K979 HydrophobicContact CG2-CB 3.74Å; V931-K979 HydrophobicContact CG2-CD 4.22Å; T977-K979 PolarHBondContact O-N 2.82Å; T977-K979 VanDerWaalsContact O-N 3.1Å; T977-K979 PolarHBondContact OG1-N 3.02Å; K979-H1019 PolarHBondContact O-CE1 3.49Å | ||
| 980 | L | 89.9 | Confident | 88.2 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | trans | -100 | 138.3 | -176 | -59.3 | 168.7 | 0 | 0 | 0 | 111.2 | V931 V933 L942 I965 V968 A974 L1015 V1017 | V931-L980 HydrophobicContact CB-CD2 4.01Å; V931-L980 HydrophobicContact CB-CG 4.4Å; V931-L980 HydrophobicContact CG1-CD1 4.18Å; V931-L980 HydrophobicContact CG1-CD2 4.17Å; V931-L980 HydrophobicContact CG1-CG 3.99Å; V931-L980 HydrophobicContact CG2-CD2 3.83Å; V931-L980 HydrophobicContact CG2-CG 4.4Å; V933-L980 HydrophobicContact CG2-CD1 4.02Å; L942-L980 HydrophobicContact CD2-CD1 4.3Å; I965-L980 HydrophobicContact CD1-CB 4.27Å; I965-L980 HydrophobicContact CD1-CD2 3.91Å; I965-L980 HydrophobicContact CD1-CG 4.46Å; V968-L980 HydrophobicContact CG2-CB 4.13Å; A974-L980 HydrophobicContact CB-CD1 3.87Å; L980-L1015 HydrophobicContact CD1-CD1 3.95Å; L980-V1017 HydrophobicContact CD2-CG1 3.86Å; L980-V1017 HydrophobicContact CD2-CG2 3.97Å | ||
| 981 | R | 87.6 | Confident | 88.6 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | trans | -127 | 167.2 | 171.8 | 63.1 | 166.8 | -177.9 | -164 | 8 | 112.4 | F923 D984 H1019 E1020 | F923-R981 HydrophobicContact CD2-CB 4.44Å; F923-R981 HydrophobicContact CD2-CG 4.21Å; F923-R981 HydrophobicContact CE2-CB 4.07Å; F923-R981 HydrophobicContact CE2-CG 4.3Å; R981-D984 WeakPolarHBondContact CG-OD1 3.27Å; R981-D984 WeakPolarHBondContact CG-OD2 3.3Å; R981-D984 PolarHBondContact N-OD2 2.94Å; R981-D984 IonicContact NE-OD1 2.68Å; R981-D984 PolarHBondContact NE-OD1 2.96Å; R981-D984 VanDerWaalsContact NE-OD1 3.08Å; R981-H1019 PolarHBondContact NH2-O 2.87Å; R981-H1019 VanDerWaalsContact NH2-O 3.16Å; R981-E1020 PolarHBondContact NH2-O 2.88Å | ||
| 982 | L | 86.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 139.8 | 165.6 | 174.3 | 151.2 | 0 | 0 | 0 | 109.8 | F955 I965 S966 D984 L1022 L1026 L1114 | F955-L982 HydrophobicContact CE1-CD2 3.6Å; F955-L982 HydrophobicContact CE1-CG 4.25Å; F955-L982 HydrophobicContact CZ-CD2 3.74Å; F955-L982 HydrophobicContact CZ-CG 3.95Å; I965-L982 WeakPolarHBondContact O-CA 3.08Å; S966-L982 WeakPolarHBondContact O-CD1 3.26Å; L982-D984 VanDerWaalsContact C-N 3.34Å; L982-L1022 HydrophobicContact CD2-CD2 4Å; L982-L1022 WeakPolarHBondContact O-CD2 3.43Å; L982-L1026 HydrophobicContact CD2-CD2 4.2Å; L982-L1114 HydrophobicContact CD1-CD2 3.48Å; L982-L1114 VanDerWaalsContact CD1-CD2 3.48Å |
| 983 | G | 87.5 | Confident | 89.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | I965 R985 | I965-G983 PolarHBondContact O-N 2.93Å; G983-R985 PolarHBondContact O-N 3.45Å |
| 984 | D | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 132.2 | 172.8 | -69.2 | -21.8 | 0 | 0 | 0 | 110.6 | F964 I965 R981 L982 V1017 R1018 H1019 | F964-D984 CarbonylContact C-O 3.36Å; F964-D984 WeakPolarHBondContact CA-O 3.49Å; I965-D984 HydrophobicContact CD1-CB 4.24Å; I965-D984 HydrophobicContact CG1-CB 4.49Å; I965-D984 PolarHBondContact N-O 2.99Å; R981-D984 WeakPolarHBondContact CG-OD1 3.27Å; R981-D984 WeakPolarHBondContact CG-OD2 3.3Å; R981-D984 PolarHBondContact N-OD2 2.94Å; R981-D984 IonicContact NE-OD1 2.68Å; R981-D984 PolarHBondContact NE-OD1 2.96Å; R981-D984 VanDerWaalsContact NE-OD1 3.08Å; L982-D984 VanDerWaalsContact C-N 3.34Å; D984-V1017 HydrophobicContact CB-CB 4.47Å; D984-R1018 WeakPolarHBondContact CA-O 3.23Å; D984-H1019 WeakPolarHBondContact OD1-CA 3.35Å; D984-H1019 IonicContact OD1-CE1 3.01Å; D984-H1019 IonicContact OD1-CG 3.4Å; D984-H1019 IonicContact OD1-ND1 2.82Å; D984-H1019 PolarHBondContact OD1-ND1 3Å; D984-H1019 IonicContact OD2-CE1 3.27Å; D984-H1019 PolarHBondContact OD2-CE1 2.87Å; D984-H1019 IonicContact OD2-ND1 3.91Å; D984-H1019 PolarHBondContact OD2-ND1 2.91Å; D984-H1019 VanDerWaalsContact OD2-ND1 3.14Å |
| 985 | R | 92.5 | Very high | 89 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.8 | 173.2 | -172.3 | -173.3 | -61.5 | -122.2 | -1.8 | 109.6 | A959 G960 P961 I963 F964 G983 L987 V1017 R1018 E1020 | A959-R985 VanDerWaalsContact CB-NH2 3.27Å; A959-R985 PolarHBondContact O-NH2 3.01Å; G960-R985 PolarHBondContact O-NH1 3.12Å; G960-R985 PolarHBondContact O-NH2 3Å; P961-R985 PolarHBondContact O-NH1 2.91Å; I963-R985 CarbonylContact O-C 3.45Å; I963-R985 WeakPolarHBondContact O-CA 3.07Å; I963-R985 WeakPolarHBondContact O-CG 3.38Å; F964-R985 HydrophobicContact CD1-CB 3.87Å; F964-R985 HydrophobicContact CD1-CG 4.25Å; F964-R985 HydrophobicContact CE1-CB 3.73Å; F964-R985 HydrophobicContact CE1-CG 3.92Å; F964-R985 HydrophobicContact CZ-CG 4.3Å; F964-R985 VanDerWaalsContact CZ-CZ 3.49Å; G983-R985 PolarHBondContact O-N 3.45Å; R985-L987 HydrophobicContact CG-CD2 4.26Å; R985-V1017 CarbonylContact O-C 3.33Å; R985-V1017 VanDerWaalsContact O-CA 3.25Å; R985-V1017 WeakPolarHBondContact O-CA 3.29Å; R985-R1018 HydrophobicContact CB-CB 4.48Å; R985-R1018 PolarHBondContact N-O 3.4Å; R985-R1018 VanDerWaalsContact NE-NH2 3.17Å; R985-R1018 PolarHBondContact O-N 3.45Å; R985-E1020 VanDerWaalsContact CB-OE1 3.25Å; R985-E1020 WeakPolarHBondContact CB-OE1 3.5Å; R985-E1020 WeakPolarHBondContact CD-OE1 3.37Å; R985-E1020 IonicContact CZ-OE1 3.09Å; R985-E1020 IonicContact CZ-OE2 3.93Å; R985-E1020 IonicContact NE-OE1 3.14Å; R985-E1020 PolarHBondContact NE-OE1 3.28Å; R985-E1020 IonicContact NE-OE2 2.65Å; R985-E1020 PolarHBondContact NE-OE2 2.95Å; R985-E1020 IonicContact NH2-OE1 2.76Å; R985-E1020 IonicContact NH2-OE2 3.49Å; R985-E1020 PolarHBondContact NH2-OE2 2.95Å |
| 986 | L | 93.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.6 | 170.4 | -171.7 | 61.9 | 0 | 0 | 0 | 109.1 | I963 V989 M994 L1006 L1015 V1017 | I963-L986 HydrophobicContact CB-CB 4.18Å; I963-L986 HydrophobicContact CG2-CB 3.99Å; I963-L986 HydrophobicContact CG2-CD2 3.97Å; I963-L986 PolarHBondContact O-N 3.29Å; L986-V989 HydrophobicContact CD1-CG2 4.02Å; L986-V989 HydrophobicContact CD2-CG2 3.59Å; L986-V989 HydrophobicContact CG-CG2 4Å; L986-M994 HydrophobicContact CD2-CG 4.15Å; L986-M994 HydrophobicContact CG-CB 4.36Å; L986-M994 HydrophobicContact CG-CG 4.04Å; L986-L1006 HydrophobicContact CD2-CD1 4.28Å; L986-L1006 HydrophobicContact CD2-CD2 4.27Å; L986-L1006 HydrophobicContact CD2-CG 4.49Å; L986-L1015 HydrophobicContact CD1-CB 4.03Å; L986-L1015 HydrophobicContact CD1-CD2 3.97Å; L986-L1015 HydrophobicContact CD1-CG 4.49Å; L986-V1017 HydrophobicContact CD1-CG1 3.96Å |
| 987 | L | 92.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -39.4 | 178.6 | -63.6 | -176.6 | 0 | 0 | 0 | 111.9 | I928 R985 M994 T1016 R1018 | I928-L987 HydrophobicContact CD1-CD1 3.79Å; I928-L987 HydrophobicContact CG1-CD1 3.96Å; I928-L987 HydrophobicContact CG2-CD1 4.13Å; R985-L987 HydrophobicContact CG-CD2 4.26Å; L987-M994 PolarHBondContact O-N 3.34Å; L987-T1016 WeakPolarHBondContact CA-O 3.39Å; L987-T1016 HydrophobicContact CB-CG2 4.19Å; L987-T1016 WeakPolarHBondContact CB-O 3.36Å; L987-T1016 PolarHBondContact N-O 2.99Å; L987-R1018 HydrophobicContact CD1-CB 3.98Å; L987-R1018 HydrophobicContact CG-CB 4.2Å |
| 988 | A | 93.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I992 T1016 | A988-I992 CarbonylContact C-O 3.44Å; A988-I992 WeakPolarHBondContact CA-O 3.48Å; A988-I992 WeakPolarHBondContact CB-O 3.48Å; A988-T1016 PolarHBondContact N-O 2.59Å; A988-T1016 VanDerWaalsContact N-O 3.14Å; A988-T1016 PolarHBondContact O-N 3.14Å |
| 989 | V | 93 | Very high | 89 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.4 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | L986 G991 I992 M994 L1006 V1013 L1014 L1015 | L986-V989 HydrophobicContact CD1-CG2 4.02Å; L986-V989 HydrophobicContact CD2-CG2 3.59Å; L986-V989 HydrophobicContact CG-CG2 4Å; V989-G991 PolarHBondContact O-N 3.08Å; V989-G991 VanDerWaalsContact O-N 3.14Å; V989-I992 PolarHBondContact N-O 2.9Å; V989-I992 WeakPolarHBondContact O-CB 3.39Å; V989-I992 WeakPolarHBondContact O-CG1 3.21Å; V989-I992 PolarHBondContact O-N 3.47Å; V989-M994 HydrophobicContact CB-CE 4.46Å; V989-M994 HydrophobicContact CB-CG 4.43Å; V989-M994 HydrophobicContact CB-SD 4.5Å; V989-M994 HydrophobicContact CG2-CG 3.8Å; V989-M994 HydrophobicContact CG2-SD 4.02Å; V989-L1006 HydrophobicContact CG1-CD2 4.1Å; V989-L1006 HydrophobicContact CG2-CD2 3.73Å; V989-L1006 HydrophobicContact CG2-CG 4.12Å; V989-V1013 HydrophobicContact CG1-CG1 3.74Å; V989-L1014 WeakPolarHBondContact CA-O 3.45Å; V989-L1015 HydrophobicContact CG1-CD2 4.31Å; V989-L1015 HydrophobicContact CG2-CD2 3.96Å |
| 990 | N | 90.5 | Very high | 89 | Confident | 64 Ų | 64 | 31.3 Ų | 31.3 | 34% | 0.342 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 36.6 | -175.5 | -65.5 | -12.8 | 0 | 0 | 0 | 113 | I992 S1010 V1013 L1014 | N990-I992 VanDerWaalsContact C-N 3.33Å; N990-I992 PolarHBondContact O-N 2.92Å; N990-S1010 PolarHBondContact ND2-OG 3.03Å; N990-S1010 VanDerWaalsContact ND2-OG 3.14Å; N990-V1013 WeakPolarHBondContact OD1-CA 3.35Å; N990-L1014 PolarHBondContact N-O 3.27Å; N990-L1014 PolarHBondContact OD1-N 2.94Å |
| 991 | G | 85.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 32.4 Ų | 32.4 | 68% | 0.68 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -11.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V989 D993 | V989-G991 PolarHBondContact O-N 3.08Å; V989-G991 VanDerWaalsContact O-N 3.14Å; G991-D993 PolarHBondContact O-N 3.2Å |
| 992 | I | 86.5 | Confident | 89.1 | Confident | 94 Ų | 94 | 31 Ų | 31 | 48% | 0.482 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.9 | 176.6 | -50.9 | 173.9 | 0 | 0 | 0 | 109.3 | A988 V989 N990 M994 | A988-I992 CarbonylContact C-O 3.44Å; A988-I992 WeakPolarHBondContact CA-O 3.48Å; A988-I992 WeakPolarHBondContact CB-O 3.48Å; V989-I992 PolarHBondContact N-O 2.9Å; V989-I992 WeakPolarHBondContact O-CB 3.39Å; V989-I992 WeakPolarHBondContact O-CG1 3.21Å; V989-I992 PolarHBondContact O-N 3.47Å; N990-I992 VanDerWaalsContact C-N 3.33Å; N990-I992 PolarHBondContact O-N 2.92Å; I992-M994 HydrophobicContact CB-CE 3.89Å; I992-M994 HydrophobicContact CG2-CE 3.56Å; I992-M994 WeakPolarHBondContact O-CE 3.47Å; I992-M994 PolarHBondContact O-N 3.43Å |
| 993 | D | 89.5 | Confident | 89.3 | Confident | 67 Ų | 67 | 32.1 Ų | 32.1 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 121.2 | 179.9 | 179.3 | 34.2 | 0 | 0 | 0 | 112.5 | G991 S995 | G991-D993 PolarHBondContact O-N 3.2Å; D993-S995 VanDerWaalsContact CG-OG 3.3Å; D993-S995 WeakPolarHBondContact OD1-CB 3.33Å; D993-S995 PolarHBondContact OD1-N 3.18Å; D993-S995 PolarHBondContact OD1-OG 3.18Å; D993-S995 VanDerWaalsContact OD1-OG 3.05Å; D993-S995 PolarHBondContact OD2-OG 2.89Å |
| 994 | M | 90.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -95.7 | -3.4 | 175.9 | -62.3 | -66.3 | 107.1 | 0 | 0 | 112.6 | I963 L986 L987 V989 I992 A996 A997 A1002 S1005 | I963-M994 HydrophobicContact CG1-CB 4.39Å; L986-M994 HydrophobicContact CD2-CG 4.15Å; L986-M994 HydrophobicContact CG-CB 4.36Å; L986-M994 HydrophobicContact CG-CG 4.04Å; L987-M994 PolarHBondContact O-N 3.34Å; V989-M994 HydrophobicContact CB-CE 4.46Å; V989-M994 HydrophobicContact CB-CG 4.43Å; V989-M994 HydrophobicContact CB-SD 4.5Å; V989-M994 HydrophobicContact CG2-CG 3.8Å; V989-M994 HydrophobicContact CG2-SD 4.02Å; I992-M994 HydrophobicContact CB-CE 3.89Å; I992-M994 HydrophobicContact CG2-CE 3.56Å; I992-M994 WeakPolarHBondContact O-CE 3.47Å; I992-M994 PolarHBondContact O-N 3.43Å; M994-A996 PolarHBondContact O-N 3.31Å; M994-A997 PolarHBondContact O-N 2.84Å; M994-A997 VanDerWaalsContact O-N 3.11Å; M994-A997 HydrophobicContact SD-CB 4.17Å; M994-A1002 HydrophobicContact SD-CB 3.78Å; M994-S1005 WeakPolarHBondContact CE-OG 3.22Å | ||
| 995 | S | 83 | Confident | 89.1 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.8 | -165.4 | 79.3 | 0 | 0 | 0 | 0 | 116 | K384 D993 | K384-S995 WeakPolarHBondContact CE-OG 3.29Å; D993-S995 VanDerWaalsContact CG-OG 3.3Å; D993-S995 WeakPolarHBondContact OD1-CB 3.33Å; D993-S995 PolarHBondContact OD1-N 3.18Å; D993-S995 PolarHBondContact OD1-OG 3.18Å; D993-S995 VanDerWaalsContact OD1-OG 3.05Å; D993-S995 PolarHBondContact OD2-OG 2.89Å |
| 996 | A | 84 | Confident | 88.9 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 26.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K384 Q407 I948 M994 | K384-A996 HydrophobicContact CB-CB 3.82Å; K384-A996 HydrophobicContact CD-CB 4.32Å; K384-A996 HydrophobicContact CG-CB 3.85Å; Q407-A996 HydrophobicContact CB-CB 4.05Å; Q407-A996 VanDerWaalsContact CD-C 3.49Å; Q407-A996 HydrophobicContact CG-CB 3.83Å; Q407-A996 PolarHBondContact OE1-O 2.78Å; Q407-A996 VanDerWaalsContact OE1-O 3.07Å; I948-A996 VanDerWaalsContact CD1-O 3.28Å; I948-A996 WeakPolarHBondContact CD1-O 3.42Å; I948-A996 WeakPolarHBondContact CG1-O 3.47Å; I948-A996 HydrophobicContact CG2-CB 3.88Å; I948-A996 WeakPolarHBondContact CG2-O 3.41Å; M994-A996 PolarHBondContact O-N 3.31Å |
| 997 | A | 85.4 | Confident | 88.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | trans | -66.4 | 153.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G947 I948 M994 A1001 | G947-A997 WeakPolarHBondContact CA-O 3.39Å; I948-A997 PolarHBondContact N-O 2.71Å; M994-A997 PolarHBondContact O-N 2.84Å; M994-A997 VanDerWaalsContact O-N 3.11Å; M994-A997 HydrophobicContact SD-CB 4.17Å; A997-A1001 HydrophobicContact CB-CB 4.32Å | ||
| 998 | T | 89.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | trans | -69.1 | 155.7 | 164.8 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | I948 D949 H1000 A1001 A1002 | I948-T998 HydrophobicContact CD1-CG2 4.09Å; I948-T998 HydrophobicContact CG1-CG2 3.86Å; D949-T998 HydrophobicContact CB-CG2 4.34Å; D949-T998 WeakPolarHBondContact OD1-CA 3.34Å; D949-T998 WeakPolarHBondContact OD1-CB 3.41Å; T998-H1000 PolarHBondContact O-N 2.93Å; T998-A1001 PolarHBondContact O-N 2.93Å; T998-A1001 VanDerWaalsContact O-N 3.1Å; T998-A1001 VanDerWaalsContact OG1-CB 3.29Å; T998-A1001 WeakPolarHBondContact OG1-CB 3.4Å; T998-A1001 PolarHBondContact OG1-N 3.49Å; T998-A1001 VanDerWaalsContact OG1-N 3.11Å; T998-A1002 PolarHBondContact O-N 3.18Å | ||
| 999 | H | 88 | Confident | 86.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.2 | -42.3 | 174.7 | -168.2 | 80.6 | 0 | 0 | 0 | 111.1 | G946 D949 H950 A1002 V1003 | G946-H999 WeakPolarHBondContact O-CB 3.32Å; G946-H999 PolarHBondContact O-ND1 3.33Å; D949-H999 PolarHBondContact OD1-N 2.65Å; H950-H999 HydrophobicContact CB-CB 4.09Å; H999-A1002 PolarHBondContact O-N 3.14Å; H999-V1003 WeakPolarHBondContact O-CG2 3.11Å; H999-V1003 PolarHBondContact O-N 3.2Å |
| 1000 | H | 88.7 | Confident | 85.2 | Confident | 135 Ų | 135 | 48.7 Ų | 48.7 | 63% | 0.625 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 177.7 | -169.8 | 69.3 | 0 | 0 | 0 | 113.2 | T998 S1004 | T998-H1000 PolarHBondContact O-N 2.93Å; H1000-S1004 VanDerWaalsContact O-CB 3.31Å; H1000-S1004 WeakPolarHBondContact O-CB 3.41Å; H1000-S1004 PolarHBondContact O-N 2.98Å; H1000-S1004 PolarHBondContact O-OG 3.12Å |
| 1001 | A | 89.2 | Confident | 84.6 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A997 T998 S1004 S1005 | A997-A1001 HydrophobicContact CB-CB 4.32Å; T998-A1001 PolarHBondContact O-N 2.93Å; T998-A1001 VanDerWaalsContact O-N 3.1Å; T998-A1001 VanDerWaalsContact OG1-CB 3.29Å; T998-A1001 WeakPolarHBondContact OG1-CB 3.4Å; T998-A1001 PolarHBondContact OG1-N 3.49Å; T998-A1001 VanDerWaalsContact OG1-N 3.11Å; A1001-S1004 PolarHBondContact O-N 3.48Å; A1001-S1005 WeakPolarHBondContact O-CB 3.17Å; A1001-S1005 PolarHBondContact O-N 3.31Å; A1001-S1005 PolarHBondContact O-OG 3.01Å |
| 1002 | A | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I944 I963 M994 T998 H999 S1004 S1005 L1006 | I944-A1002 HydrophobicContact CD1-CB 3.71Å; I963-A1002 HydrophobicContact CD1-CB 3.54Å; I963-A1002 HydrophobicContact CG1-CB 3.7Å; I963-A1002 HydrophobicContact CG2-CB 4.13Å; M994-A1002 HydrophobicContact SD-CB 3.78Å; T998-A1002 PolarHBondContact O-N 3.18Å; H999-A1002 PolarHBondContact O-N 3.14Å; A1002-S1004 VanDerWaalsContact C-N 3.32Å; A1002-S1004 PolarHBondContact O-N 2.89Å; A1002-S1005 PolarHBondContact O-N 3.16Å; A1002-L1006 VanDerWaalsContact O-CG 3.31Å; A1002-L1006 WeakPolarHBondContact O-CG 3.4Å; A1002-L1006 PolarHBondContact O-N 2.99Å |
| 1003 | V | 90.3 | Very high | 84.8 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 171.1 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I944 H999 S1005 L1006 M1007 | I944-V1003 HydrophobicContact CD1-CG2 3.95Å; I944-V1003 HydrophobicContact CG1-CG2 4.33Å; H999-V1003 WeakPolarHBondContact O-CG2 3.11Å; H999-V1003 PolarHBondContact O-N 3.2Å; V1003-S1005 PolarHBondContact O-N 3.2Å; V1003-L1006 PolarHBondContact O-N 2.97Å; V1003-M1007 HydrophobicContact CG1-CG 4.12Å; V1003-M1007 VanDerWaalsContact O-CB 3.31Å; V1003-M1007 WeakPolarHBondContact O-CB 3.48Å; V1003-M1007 WeakPolarHBondContact O-CG 3.46Å; V1003-M1007 PolarHBondContact O-N 3.46Å |
| 1004 | S | 87.9 | Confident | 85 | Confident | 56 Ų | 56 | 46 Ų | 46 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | H1000 A1001 A1002 M1007 A1008 | H1000-S1004 VanDerWaalsContact O-CB 3.31Å; H1000-S1004 WeakPolarHBondContact O-CB 3.41Å; H1000-S1004 PolarHBondContact O-N 2.98Å; H1000-S1004 PolarHBondContact O-OG 3.12Å; A1001-S1004 PolarHBondContact O-N 3.48Å; A1002-S1004 VanDerWaalsContact C-N 3.32Å; A1002-S1004 PolarHBondContact O-N 2.89Å; S1004-M1007 PolarHBondContact O-N 2.92Å; S1004-A1008 PolarHBondContact O-N 3.47Å |
| 1005 | S | 88.2 | Confident | 85.1 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 112 | M994 A1001 A1002 V1003 M1007 A1008 | M994-S1005 WeakPolarHBondContact CE-OG 3.22Å; A1001-S1005 WeakPolarHBondContact O-CB 3.17Å; A1001-S1005 PolarHBondContact O-N 3.31Å; A1001-S1005 PolarHBondContact O-OG 3.01Å; A1002-S1005 PolarHBondContact O-N 3.16Å; V1003-S1005 PolarHBondContact O-N 3.2Å; S1005-M1007 VanDerWaalsContact C-N 3.35Å; S1005-A1008 WeakPolarHBondContact O-CB 3.48Å |
| 1006 | L | 87.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 173.8 | -69.5 | 168.1 | 0 | 0 | 0 | 112.4 | K935 L940 L942 I944 L986 V989 A1002 V1003 L1015 | K935-L1006 WeakPolarHBondContact CE-O 3.33Å; K935-L1006 PolarHBondContact NZ-O 2.78Å; L940-L1006 HydrophobicContact CD2-CD2 4.11Å; L942-L1006 HydrophobicContact CD1-CD1 4.22Å; I944-L1006 HydrophobicContact CD1-CD1 3.87Å; I944-L1006 HydrophobicContact CG1-CD1 4.32Å; I944-L1006 HydrophobicContact CG2-CD1 4.04Å; L986-L1006 HydrophobicContact CD2-CD1 4.28Å; L986-L1006 HydrophobicContact CD2-CD2 4.27Å; L986-L1006 HydrophobicContact CD2-CG 4.49Å; V989-L1006 HydrophobicContact CG1-CD2 4.1Å; V989-L1006 HydrophobicContact CG2-CD2 3.73Å; V989-L1006 HydrophobicContact CG2-CG 4.12Å; A1002-L1006 VanDerWaalsContact O-CG 3.31Å; A1002-L1006 WeakPolarHBondContact O-CG 3.4Å; A1002-L1006 PolarHBondContact O-N 2.99Å; V1003-L1006 PolarHBondContact O-N 2.97Å; L1006-L1015 HydrophobicContact CD2-CD2 3.48Å; L1006-L1015 VanDerWaalsContact CD2-CD2 3.48Å |
| 1007 | M | 84 | Confident | 86 | Confident | 106 Ų | 106 | 46.3 Ų | 46.3 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -82.2 | -16.1 | -177.8 | -70 | -60 | -65.4 | 0 | 0 | 114.2 | K935 V1003 S1004 S1005 | K935-M1007 PolarHBondContact NZ-O 3.43Å; V1003-M1007 HydrophobicContact CG1-CG 4.12Å; V1003-M1007 VanDerWaalsContact O-CB 3.31Å; V1003-M1007 WeakPolarHBondContact O-CB 3.48Å; V1003-M1007 WeakPolarHBondContact O-CG 3.46Å; V1003-M1007 PolarHBondContact O-N 3.46Å; S1004-M1007 PolarHBondContact O-N 2.92Å; S1005-M1007 VanDerWaalsContact C-N 3.35Å |
| 1008 | A | 78.8 | Confident | 86.3 | Confident | 47 Ų | 47 | 49 Ų | 49 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -47.7 | 148.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K935 S1004 S1005 S1010 | K935-A1008 PolarHBondContact NZ-O 2.95Å; S1004-A1008 PolarHBondContact O-N 3.47Å; S1005-A1008 WeakPolarHBondContact O-CB 3.48Å; A1008-S1010 PolarHBondContact O-N 3.07Å; A1008-S1010 PolarHBondContact O-OG 2.76Å |
| 1009 | S | 61.7 | Low | 86.3 | Confident | 129 Ų | 129 | 47.4 Ų | 47.4 | 90% | 0.902 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -74.3 | 37.6 | -162.4 | 57.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1010 | S | 68.8 | Low | 86.1 | Confident | 36 Ų | 36 | 46 Ų | 46 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | trans | -90.6 | 145.2 | 172.6 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | K935 N990 A1008 E1012 | K935-S1010 WeakPolarHBondContact CD-O 3.28Å; K935-S1010 WeakPolarHBondContact CE-O 3.13Å; N990-S1010 PolarHBondContact ND2-OG 3.03Å; N990-S1010 VanDerWaalsContact ND2-OG 3.14Å; A1008-S1010 PolarHBondContact O-N 3.07Å; A1008-S1010 PolarHBondContact O-OG 2.76Å; S1010-E1012 WeakPolarHBondContact CB-O 3.41Å; S1010-E1012 PolarHBondContact OG-O 3.27Å | ||
| 1011 | T | 79.9 | Confident | 85.6 | Confident | 106 Ų | 106 | 42.2 Ų | 42.2 | 65% | 0.65 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -85.6 | -36.6 | 178.3 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | K935 | K935-T1011 PolarHBondContact N-O 3.09Š|
| 1012 | E | 85.5 | Confident | 85.4 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.5 | 164.4 | -166.6 | -168.6 | -123.6 | 0 | 0 | 109 | K932 S1010 | K932-E1012 HydrophobicContact CB-CG 4.3Å; K932-E1012 VanDerWaalsContact CD-OE1 3.29Å; K932-E1012 WeakPolarHBondContact CD-OE1 3.38Å; K932-E1012 HydrophobicContact CG-CG 4.46Å; K932-E1012 WeakPolarHBondContact CG-OE1 3.21Å; K932-E1012 IonicContact NZ-OE1 3.91Å; K932-E1012 PolarHBondContact NZ-OE1 2.77Å; K932-E1012 IonicContact NZ-OE2 3.28Å; K932-E1012 PolarHBondContact NZ-OE2 3.09Å; S1010-E1012 WeakPolarHBondContact CB-O 3.41Å; S1010-E1012 PolarHBondContact OG-O 3.27Å |
| 1013 | V | 89.8 | Confident | 85 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.4 | 169 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | K932 V933 K935 L940 V989 N990 L1015 | K932-V1013 CarbonylContact C-O 3.3Å; V933-V1013 PolarHBondContact N-O 2.76Å; V933-V1013 PolarHBondContact O-N 3.31Å; K935-V1013 HydrophobicContact CD-CG2 4.21Å; K935-V1013 HydrophobicContact CG-CG2 4Å; L940-V1013 HydrophobicContact CD1-CG2 4.34Å; L940-V1013 HydrophobicContact CD2-CB 4.23Å; L940-V1013 HydrophobicContact CD2-CG1 4.37Å; L940-V1013 HydrophobicContact CD2-CG2 4.34Å; V989-V1013 HydrophobicContact CG1-CG1 3.74Å; N990-V1013 WeakPolarHBondContact OD1-CA 3.35Å; V1013-L1015 HydrophobicContact CG1-CD2 3.57Å; V1013-L1015 HydrophobicContact CG1-CG 4.22Å |
| 1014 | L | 92.2 | Very high | 84.6 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.4 | 170 | -173.5 | 67.8 | 0 | 0 | 0 | 109.3 | D930 K932 V989 N990 | D930-L1014 HydrophobicContact CB-CD1 4.11Å; K932-L1014 HydrophobicContact CG-CD1 3.78Å; V989-L1014 WeakPolarHBondContact CA-O 3.45Å; N990-L1014 PolarHBondContact N-O 3.27Å; N990-L1014 PolarHBondContact OD1-N 2.94Å |
| 1015 | L | 93.8 | Very high | 84.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.3 | 176.6 | -55.1 | 178.6 | 0 | 0 | 0 | 109.4 | V931 V933 L940 L942 L980 L986 V989 L1006 V1013 V1017 | V931-L1015 PolarHBondContact N-O 2.85Å; V931-L1015 PolarHBondContact O-N 2.82Å; V933-L1015 HydrophobicContact CG2-CD1 3.71Å; V933-L1015 HydrophobicContact CG2-CG 4.24Å; L940-L1015 HydrophobicContact CD2-CD1 4.22Å; L940-L1015 HydrophobicContact CD2-CD2 4.48Å; L942-L1015 HydrophobicContact CD2-CD1 3.65Å; L980-L1015 HydrophobicContact CD1-CD1 3.95Å; L986-L1015 HydrophobicContact CD1-CB 4.03Å; L986-L1015 HydrophobicContact CD1-CD2 3.97Å; L986-L1015 HydrophobicContact CD1-CG 4.49Å; V989-L1015 HydrophobicContact CG1-CD2 4.31Å; V989-L1015 HydrophobicContact CG2-CD2 3.96Å; L1006-L1015 HydrophobicContact CD2-CD2 3.48Å; L1006-L1015 VanDerWaalsContact CD2-CD2 3.48Å; V1013-L1015 HydrophobicContact CG1-CD2 3.57Å; V1013-L1015 HydrophobicContact CG1-CG 4.22Å; L1015-V1017 HydrophobicContact CB-CG1 4.21Å; L1015-V1017 PolarHBondContact O-N 3.34Å |
| 1016 | T | 93.6 | Very high | 84.4 | Confident | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 114.2 | 167.2 | -50.7 | 0 | 0 | 0 | 0 | 107.5 | I928 D930 L987 A988 | I928-T1016 HydrophobicContact CG2-CG2 3.75Å; D930-T1016 WeakPolarHBondContact OD1-CA 3.42Å; D930-T1016 VanDerWaalsContact OD1-CB 3.24Å; D930-T1016 WeakPolarHBondContact OD1-CB 3.5Å; D930-T1016 WeakPolarHBondContact OD1-CG2 3.49Å; D930-T1016 PolarHBondContact OD1-OG1 3.13Å; L987-T1016 WeakPolarHBondContact CA-O 3.39Å; L987-T1016 HydrophobicContact CB-CG2 4.19Å; L987-T1016 WeakPolarHBondContact CB-O 3.36Å; L987-T1016 PolarHBondContact N-O 2.99Å; A988-T1016 PolarHBondContact N-O 2.59Å; A988-T1016 VanDerWaalsContact N-O 3.14Å; A988-T1016 PolarHBondContact O-N 3.14Å |
| 1017 | V | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 157.4 | -177.5 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | I928 E929 V931 I965 L980 D984 R985 L986 L1015 | I928-V1017 CarbonylContact C-O 3.55Å; I928-V1017 VanDerWaalsContact CA-O 3.22Å; I928-V1017 WeakPolarHBondContact CA-O 3.4Å; I928-V1017 WeakPolarHBondContact CG2-O 3.46Å; E929-V1017 HydrophobicContact CB-CG2 4.49Å; E929-V1017 PolarHBondContact N-O 2.87Å; E929-V1017 WeakPolarHBondContact O-CG2 3.36Å; E929-V1017 PolarHBondContact O-N 2.82Å; V931-V1017 HydrophobicContact CG2-CG2 4.12Å; I965-V1017 HydrophobicContact CD1-CG1 4.38Å; L980-V1017 HydrophobicContact CD2-CG1 3.86Å; L980-V1017 HydrophobicContact CD2-CG2 3.97Å; D984-V1017 HydrophobicContact CB-CB 4.47Å; R985-V1017 CarbonylContact O-C 3.33Å; R985-V1017 VanDerWaalsContact O-CA 3.25Å; R985-V1017 WeakPolarHBondContact O-CA 3.29Å; L986-V1017 HydrophobicContact CD1-CG1 3.96Å; L1015-V1017 HydrophobicContact CB-CG1 4.21Å; L1015-V1017 PolarHBondContact O-N 3.34Å |
| 1018 | R | 91.4 | Very high | 84.7 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.1 | 169.7 | -176.9 | 170.7 | 65.3 | -169.4 | 2.2 | 110.5 | V927 I928 D984 R985 L987 E1020 | V927-R1018 WeakPolarHBondContact O-CA 3.31Å; I928-R1018 HydrophobicContact CG1-CB 4.16Å; I928-R1018 HydrophobicContact CG1-CG 4.15Å; D984-R1018 WeakPolarHBondContact CA-O 3.23Å; R985-R1018 HydrophobicContact CB-CB 4.48Å; R985-R1018 PolarHBondContact N-O 3.4Å; R985-R1018 VanDerWaalsContact NE-NH2 3.17Å; R985-R1018 PolarHBondContact O-N 3.45Å; L987-R1018 HydrophobicContact CD1-CB 3.98Å; L987-R1018 HydrophobicContact CG-CB 4.2Å; R1018-E1020 IonicContact CZ-OE1 2.9Å; R1018-E1020 IonicContact NE-OE1 2.66Å; R1018-E1020 PolarHBondContact NE-OE1 3.2Å; R1018-E1020 IonicContact NH2-OE1 2.77Å; R1018-E1020 PolarHBondContact NH2-OE1 3.11Å; R1018-E1020 PolarHBondContact O-N 3.07Å |
| 1019 | H | 88.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -78.3 | 67.2 | -178.4 | -60.5 | -61.3 | 0 | 0 | 0 | 112.2 | E925 N926 V927 E929 K979 R981 D984 | E925-H1019 CarbonylContact C-O 3.32Å; E925-H1019 WeakPolarHBondContact CA-O 3.32Å; N926-H1019 PolarHBondContact N-O 3.02Å; V927-H1019 PolarHBondContact O-N 3.31Å; E929-H1019 IonicContact OE2-NE2 3.64Å; K979-H1019 PolarHBondContact O-CE1 3.49Å; R981-H1019 PolarHBondContact NH2-O 2.87Å; R981-H1019 VanDerWaalsContact NH2-O 3.16Å; D984-H1019 WeakPolarHBondContact OD1-CA 3.35Å; D984-H1019 IonicContact OD1-CE1 3.01Å; D984-H1019 IonicContact OD1-CG 3.4Å; D984-H1019 IonicContact OD1-ND1 2.82Å; D984-H1019 PolarHBondContact OD1-ND1 3Å; D984-H1019 IonicContact OD2-CE1 3.27Å; D984-H1019 PolarHBondContact OD2-CE1 2.87Å; D984-H1019 IonicContact OD2-ND1 3.91Å; D984-H1019 PolarHBondContact OD2-ND1 2.91Å; D984-H1019 VanDerWaalsContact OD2-ND1 3.14Å | ||
| 1020 | E | 83.8 | Confident | 86.8 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 156.2 | 175 | -95.7 | 158 | -111.5 | 0 | 0 | 112.6 | R981 R985 R1018 | R981-E1020 PolarHBondContact NH2-O 2.88Å; R985-E1020 VanDerWaalsContact CB-OE1 3.25Å; R985-E1020 WeakPolarHBondContact CB-OE1 3.5Å; R985-E1020 WeakPolarHBondContact CD-OE1 3.37Å; R985-E1020 IonicContact CZ-OE1 3.09Å; R985-E1020 IonicContact CZ-OE2 3.93Å; R985-E1020 IonicContact NE-OE1 3.14Å; R985-E1020 PolarHBondContact NE-OE1 3.28Å; R985-E1020 IonicContact NE-OE2 2.65Å; R985-E1020 PolarHBondContact NE-OE2 2.95Å; R985-E1020 IonicContact NH2-OE1 2.76Å; R985-E1020 IonicContact NH2-OE2 3.49Å; R985-E1020 PolarHBondContact NH2-OE2 2.95Å; R1018-E1020 IonicContact CZ-OE1 2.9Å; R1018-E1020 IonicContact NE-OE1 2.66Å; R1018-E1020 PolarHBondContact NE-OE1 3.2Å; R1018-E1020 IonicContact NH2-OE1 2.77Å; R1018-E1020 PolarHBondContact NH2-OE1 3.11Å; R1018-E1020 PolarHBondContact O-N 3.07Å |
| 1021 | A | 79.5 | Confident | 87.9 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 142.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | E925 | E925-A1021 WeakPolarHBondContact OE1-CB 3.43Š|
| 1022 | L | 83.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 37.1 Ų | 37.1 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 155.8 | -179.6 | -68.9 | 171.2 | 0 | 0 | 0 | 111.7 | I920 L982 L1026 | I920-L1022 HydrophobicContact CG2-CD1 3.81Å; L982-L1022 HydrophobicContact CD2-CD2 4Å; L982-L1022 WeakPolarHBondContact O-CD2 3.43Å; L1022-L1026 HydrophobicContact CB-CD2 4.25Å; L1022-L1026 HydrophobicContact CD1-CD2 4.01Å; L1022-L1026 HydrophobicContact CD2-CD2 4.13Å; L1022-L1026 HydrophobicContact CG-CD2 4.37Å |
| 1023 | P | 84.1 | Confident | 88.3 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 142.8 | 171 | -27.1 | 35.6 | 0 | 0 | 0 | 112.6 | P954 F955 L1026 C1116 | P954-P1023 HydrophobicContact CB-CB 4.05Å; P954-P1023 HydrophobicContact CB-CG 3.86Å; P954-P1023 HydrophobicContact CG-CB 4.26Å; P954-P1023 HydrophobicContact CG-CG 3.71Å; F955-P1023 HydrophobicContact CD1-CG 3.86Å; F955-P1023 HydrophobicContact CE1-CG 3.79Å; P1023-L1026 WeakPolarHBondContact O-CB 3.05Å; P1023-L1026 PolarHBondContact O-N 3.42Å; P1023-C1116 HydrophobicContact CB-CB 3.78Å |
| 1024 | S | 81.6 | Confident | 87.8 | Confident | 92 Ų | 92 | 42 Ų | 42 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 141.4 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.6 | L1026 C1116 D1117 | S1024-L1026 PolarHBondContact O-N 2.91Å; S1024-L1026 VanDerWaalsContact O-N 3.14Å; S1024-C1116 WeakPolarHBondContact O-CB 3.48Å; S1024-D1117 WeakPolarHBondContact O-CB 3.41Å; S1024-D1117 PolarHBondContact O-N 3.17Å |
| 1025 | G | 83.6 | Confident | 86.7 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 25 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1027 D1117 | G1025-R1027 WeakPolarHBondContact O-CG 3.38Å; G1025-R1027 PolarHBondContact O-N 3.18Å; G1025-R1027 VanDerWaalsContact O-N 3.11Å; G1025-R1027 PolarHBondContact O-NE 2.85Å; G1025-D1117 WeakPolarHBondContact CA-OD1 3.43Å; G1025-D1117 WeakPolarHBondContact CA-OD2 3.49Å; G1025-D1117 PolarHBondContact N-OD2 3.42Å |
| 1026 | L | 88 | Confident | 85.5 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -55.9 | 114.5 | 172.4 | -171.1 | 75.9 | 0 | 0 | 0 | 110.1 | L982 L1022 P1023 S1024 I1085 L1114 V1115 C1116 | L982-L1026 HydrophobicContact CD2-CD2 4.2Å; L1022-L1026 HydrophobicContact CB-CD2 4.25Å; L1022-L1026 HydrophobicContact CD1-CD2 4.01Å; L1022-L1026 HydrophobicContact CD2-CD2 4.13Å; L1022-L1026 HydrophobicContact CG-CD2 4.37Å; P1023-L1026 WeakPolarHBondContact O-CB 3.05Å; P1023-L1026 PolarHBondContact O-N 3.42Å; S1024-L1026 PolarHBondContact O-N 2.91Å; S1024-L1026 VanDerWaalsContact O-N 3.14Å; L1026-I1085 HydrophobicContact CD1-CD1 3.55Å; L1026-L1114 HydrophobicContact CD1-CD1 3.97Å; L1026-L1114 HydrophobicContact CD1-CD2 4.38Å; L1026-L1114 HydrophobicContact CD1-CG 4.09Å; L1026-L1114 HydrophobicContact CG-CD1 4.18Å; L1026-V1115 CarbonylContact C-O 3.25Å; L1026-V1115 VanDerWaalsContact CA-O 3.29Å; L1026-V1115 WeakPolarHBondContact CA-O 3.41Å; L1026-C1116 HydrophobicContact CB-CB 4.48Å; L1026-C1116 HydrophobicContact CD1-CB 4.09Å | ||
| 1027 | R | 90.5 | Very high | 85 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.1 | -173.8 | -76.6 | 166.1 | -83.4 | 148.5 | -7.9 | 109.5 | G1025 L1029 R1077 D1082 V1115 D1117 | G1025-R1027 WeakPolarHBondContact O-CG 3.38Å; G1025-R1027 PolarHBondContact O-N 3.18Å; G1025-R1027 VanDerWaalsContact O-N 3.11Å; G1025-R1027 PolarHBondContact O-NE 2.85Å; R1027-L1029 HydrophobicContact CB-CD2 4.26Å; R1027-R1077 PolarHBondContact NH1-O 2.63Å; R1027-D1082 IonicContact CZ-OD1 3.78Å; R1027-D1082 IonicContact CZ-OD2 2.81Å; R1027-D1082 IonicContact NH1-OD1 3.92Å; R1027-D1082 PolarHBondContact NH1-OD1 2.85Å; R1027-D1082 IonicContact NH1-OD2 2.75Å; R1027-D1082 PolarHBondContact NH1-OD2 3.47Å; R1027-D1082 IonicContact NH2-OD1 2.99Å; R1027-D1082 PolarHBondContact NH2-OD1 3.28Å; R1027-D1082 IonicContact NH2-OD2 3.3Å; R1027-V1115 HydrophobicContact CB-CG2 3.88Å; R1027-V1115 PolarHBondContact N-O 3.4Å; R1027-V1115 PolarHBondContact O-N 2.94Å; R1027-D1117 IonicContact NH2-OD1 2.72Å; R1027-D1117 PolarHBondContact NH2-OD1 3.07Å |
| 1028 | D | 87.3 | Confident | 84.6 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 168.2 | -170.1 | -1 | 0 | 0 | 0 | 108.7 | T917 H1112 L1114 | T917-D1028 WeakPolarHBondContact CB-OD2 3.43Å; T917-D1028 PolarHBondContact OG1-OD2 3.04Å; D1028-H1112 VanDerWaalsContact CG-CE1 3.48Å; D1028-H1112 IonicContact OD1-CE1 3.73Å; D1028-H1112 PolarHBondContact OD1-CE1 3.27Å; D1028-H1112 IonicContact OD1-ND1 2.72Å; D1028-H1112 PolarHBondContact OD1-ND1 2.81Å; D1028-H1112 IonicContact OD1-NE2 2.84Å; D1028-H1112 IonicContact OD2-CE1 2.97Å; D1028-H1112 PolarHBondContact OD2-CE1 3.25Å; D1028-H1112 IonicContact OD2-NE2 2.72Å; D1028-L1114 HydrophobicContact CB-CD1 4.29Å |
| 1029 | L | 92 | Very high | 84.5 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 138 | -175.1 | 61.8 | 97.7 | 0 | 0 | 0 | 112.2 | R1027 V1031 R1077 L1078 F1113 V1115 | R1027-L1029 HydrophobicContact CB-CD2 4.26Å; L1029-V1031 HydrophobicContact CD1-CG2 3.77Å; L1029-R1077 HydrophobicContact CD2-CB 4.35Å; L1029-L1078 HydrophobicContact CD1-CD1 4.1Å; L1029-L1078 HydrophobicContact CD1-CD2 4Å; L1029-L1078 HydrophobicContact CD1-CG 3.82Å; L1029-L1078 HydrophobicContact CD2-CD2 3.84Å; L1029-L1078 HydrophobicContact CD2-CG 4.3Å; L1029-L1078 HydrophobicContact CG-CD2 4.45Å; L1029-F1113 HydrophobicContact CD1-CB 4.02Å; L1029-F1113 HydrophobicContact CD1-CD2 3.98Å; L1029-F1113 HydrophobicContact CD1-CG 4.35Å; L1029-F1113 HydrophobicContact CG-CB 4.22Å; L1029-F1113 PolarHBondContact N-O 3.32Å; L1029-F1113 PolarHBondContact O-N 3.23Å; L1029-V1115 HydrophobicContact CD2-CG2 4.06Å |
| 1030 | T | 91.9 | Very high | 84.5 | Confident | 55 Ų | 55 | 50.1 Ų | 50.1 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.5 | 171.5 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | R1077 H1110 V1111 H1112 | T1030-R1077 PolarHBondContact O-NH2 3.48Å; T1030-H1110 HydrophobicContact CG2-CB 4.16Å; T1030-V1111 WeakPolarHBondContact CA-O 3.34Å; T1030-H1112 PolarHBondContact OG1-CD2 2.9Å |
| 1031 | V | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.9 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L1029 L1039 A1071 V1072 D1075 L1078 V1111 F1113 | L1029-V1031 HydrophobicContact CD1-CG2 3.77Å; V1031-L1039 HydrophobicContact CG1-CD1 4.41Å; V1031-A1071 HydrophobicContact CG1-CB 4.06Å; V1031-V1072 HydrophobicContact CG1-CG2 4.17Å; V1031-D1075 HydrophobicContact CG1-CB 4.06Å; V1031-D1075 HydrophobicContact CG2-CB 4.22Å; V1031-L1078 HydrophobicContact CG2-CD1 4.22Å; V1031-V1111 PolarHBondContact N-O 2.84Å; V1031-V1111 PolarHBondContact O-N 2.86Å; V1031-F1113 HydrophobicContact CB-CD2 4.47Å; V1031-F1113 HydrophobicContact CB-CE2 4.01Å; V1031-F1113 HydrophobicContact CG2-CD2 3.95Å; V1031-F1113 HydrophobicContact CG2-CE2 3.73Å |
| 1032 | T | 88.3 | Confident | 85.4 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.3 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | S1109 H1110 | T1032-S1109 CarbonylContact C-O 3.58Å; T1032-S1109 WeakPolarHBondContact CA-O 3.48Å; T1032-H1110 PolarHBondContact OG1-CD2 3.46Å; T1032-H1110 VanDerWaalsContact OG1-CD2 3.32Å |
| 1033 | R | 86 | Confident | 85.9 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | trans | -99 | 128.8 | 170.4 | 70 | 174 | -164 | -123.5 | -1.1 | 110.6 | E1037 A1071 S1107 G1108 S1109 | R1033-E1037 WeakPolarHBondContact CA-OE1 3.4Å; R1033-E1037 HydrophobicContact CB-CG 3.89Å; R1033-A1071 HydrophobicContact CB-CB 3.61Å; R1033-S1107 VanDerWaalsContact CZ-O 3.25Å; R1033-S1107 PolarHBondContact NH1-O 3.47Å; R1033-S1107 PolarHBondContact NH1-OG 3.06Å; R1033-S1107 PolarHBondContact NH2-O 2.79Å; R1033-G1108 PolarHBondContact NH1-O 3.11Å; R1033-G1108 PolarHBondContact NH2-O 2.98Å; R1033-S1109 PolarHBondContact N-O 3.27Å | ||
| 1034 | L | 80.3 | Confident | 86.2 | Confident | 116 Ų | 116 | 50.6 Ų | 50.6 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | trans | -75.6 | 166.3 | 175.3 | -58.8 | 177.5 | 0 | 0 | 0 | 111.1 | G1036 E1037 | L1034-G1036 PolarHBondContact O-N 3.48Å; L1034-E1037 WeakPolarHBondContact CB-OE1 3.24Å; L1034-E1037 PolarHBondContact N-OE1 2.79Å; L1034-E1037 PolarHBondContact O-N 2.93Å | ||
| 1035 | G | 67.3 | Low | 86.5 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 94% | 0.938 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 105.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1036 | G | 69.5 | Low | 86.7 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 88% | 0.876 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -1.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | L1034 | L1034-G1036 PolarHBondContact O-N 3.48Š|
| 1037 | E | 82.5 | Confident | 86.4 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | trans | -76.8 | 146.4 | 177.2 | 86.6 | -177.8 | 148.5 | 0 | 0 | 112 | R1033 L1034 A1071 K1074 | R1033-E1037 WeakPolarHBondContact CA-OE1 3.4Å; R1033-E1037 HydrophobicContact CB-CG 3.89Å; L1034-E1037 WeakPolarHBondContact CB-OE1 3.24Å; L1034-E1037 PolarHBondContact N-OE1 2.79Å; L1034-E1037 PolarHBondContact O-N 2.93Å; E1037-A1071 HydrophobicContact CG-CB 4.29Å; E1037-K1074 IonicContact OE2-NZ 2.76Å; E1037-K1074 PolarHBondContact OE2-NZ 3.41Å | ||
| 1038 | P | 85.1 | Confident | 85.6 | Confident | 84 Ų | 84 | 48 Ų | 48 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | trans | -68 | 149.4 | 175.2 | 29.1 | -34.3 | 0 | 0 | 0 | 110.8 | G1040 A1070 A1071 | P1038-G1040 VanDerWaalsContact C-N 3.26Å; P1038-G1040 PolarHBondContact O-N 2.89Å; P1038-A1070 HydrophobicContact CG-CB 4.11Å; P1038-A1071 PolarHBondContact O-N 3.4Å | ||
| 1039 | L | 89.7 | Confident | 85.3 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | trans | -59 | -42.5 | 170.8 | -176.9 | 59 | 0 | 0 | 0 | 110.8 | V1031 L1041 V1072 L1104 V1111 F1113 | V1031-L1039 HydrophobicContact CG1-CD1 4.41Å; L1039-L1041 HydrophobicContact CD2-CD2 4.37Å; L1039-L1041 HydrophobicContact CG-CD2 4.48Å; L1039-V1072 HydrophobicContact CD1-CG2 3.81Å; L1039-V1072 HydrophobicContact CG-CG2 4.03Å; L1039-V1072 WeakPolarHBondContact O-CB 3.4Å; L1039-V1072 WeakPolarHBondContact O-CG2 3.45Å; L1039-V1072 PolarHBondContact O-N 3.19Å; L1039-L1104 HydrophobicContact CD2-CB 4.45Å; L1039-L1104 HydrophobicContact CD2-CD2 3.85Å; L1039-V1111 HydrophobicContact CD1-CB 4.08Å; L1039-V1111 HydrophobicContact CD1-CG1 4.36Å; L1039-V1111 HydrophobicContact CD1-CG2 3.8Å; L1039-V1111 HydrophobicContact CD2-CG1 4.21Å; L1039-V1111 HydrophobicContact CD2-CG2 4.45Å; L1039-F1113 HydrophobicContact CD1-CE2 4.4Å; L1039-F1113 HydrophobicContact CD1-CZ 4.25Å; L1039-F1113 HydrophobicContact CD2-CZ 4.11Å | ||
| 1040 | G | 89.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | trans | 78.9 | 46.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1038 I1067 | P1038-G1040 VanDerWaalsContact C-N 3.26Å; P1038-G1040 PolarHBondContact O-N 2.89Å; G1040-I1067 PolarHBondContact O-N 2.85Å | ||
| 1041 | L | 91 | Very high | 84.3 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.9 | 164.8 | 70 | 81.2 | 0 | 0 | 0 | 109.3 | L1039 I1043 V1072 I1084 L1104 F1113 | L1039-L1041 HydrophobicContact CD2-CD2 4.37Å; L1039-L1041 HydrophobicContact CG-CD2 4.48Å; L1041-I1043 HydrophobicContact CD1-CG2 3.55Å; L1041-V1072 HydrophobicContact CB-CG2 4.47Å; L1041-V1072 HydrophobicContact CD2-CG2 4.08Å; L1041-I1084 HydrophobicContact CD1-CD1 4.47Å; L1041-I1084 HydrophobicContact CD2-CD1 4.48Å; L1041-L1104 HydrophobicContact CD1-CD1 3.73Å; L1041-L1104 HydrophobicContact CD1-CD2 4.21Å; L1041-L1104 HydrophobicContact CD2-CD2 4.18Å; L1041-F1113 HydrophobicContact CD2-CE1 3.66Å; L1041-F1113 HydrophobicContact CD2-CZ 3.64Å |
| 1042 | E | 90.7 | Very high | 83.6 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152.5 | 165.9 | -68.4 | 173.1 | -149.9 | 0 | 0 | 108.2 | S1064 K1065 I1067 | E1042-S1064 WeakPolarHBondContact CB-OG 3.47Å; E1042-S1064 PolarHBondContact O-N 2.99Å; E1042-S1064 PolarHBondContact O-OG 3.3Å; E1042-K1065 HydrophobicContact CB-CB 4.19Å; E1042-K1065 HydrophobicContact CG-CD 4.46Å; E1042-K1065 PolarHBondContact N-O 3.23Å; E1042-K1065 WeakPolarHBondContact OE1-CD 3.44Å; E1042-K1065 WeakPolarHBondContact OE1-CE 3.44Å; E1042-K1065 IonicContact OE1-NZ 2.72Å; E1042-K1065 PolarHBondContact OE1-NZ 2.93Å; E1042-K1065 IonicContact OE2-NZ 3.32Å; E1042-I1067 HydrophobicContact CG-CD1 4.39Å |
| 1043 | I | 93.2 | Very high | 82.5 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 160.7 | -179.2 | 51.7 | 162.6 | 0 | 0 | 0 | 111.8 | L1041 I1061 F1062 S1064 I1084 V1097 A1100 A1101 L1104 | L1041-I1043 HydrophobicContact CD1-CG2 3.55Å; I1043-I1061 HydrophobicContact CB-CG2 4.06Å; I1043-I1061 HydrophobicContact CD1-CG2 4.01Å; I1043-I1061 HydrophobicContact CG2-CG2 3.95Å; I1043-F1062 CarbonylContact C-O 3.34Å; I1043-F1062 WeakPolarHBondContact CA-O 3.37Å; I1043-S1064 WeakPolarHBondContact CA-OG 3.41Å; I1043-S1064 PolarHBondContact N-OG 3.38Å; I1043-S1064 PolarHBondContact O-OG 3.36Å; I1043-I1084 HydrophobicContact CG2-CD1 3.91Å; I1043-V1097 HydrophobicContact CD1-CG2 3.86Å; I1043-V1097 WeakPolarHBondContact CD1-O 3.36Å; I1043-V1097 HydrophobicContact CG1-CG2 3.94Å; I1043-A1100 HydrophobicContact CD1-CB 3.41Å; I1043-A1100 VanDerWaalsContact CD1-CB 3.41Å; I1043-A1101 HydrophobicContact CD1-CB 4.35Å; I1043-L1104 HydrophobicContact CD1-CD1 3.91Å; I1043-L1104 HydrophobicContact CG1-CD1 4.3Å; I1043-L1104 HydrophobicContact CG2-CD1 3.94Å |
| 1044 | A | 90.4 | Very high | 81.7 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 177.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1051 F1062 F1124 | A1044-V1051 HydrophobicContact CB-CG1 3.94Å; A1044-V1051 HydrophobicContact CB-CG2 4.37Å; A1044-F1062 PolarHBondContact N-O 3.14Å; A1044-F1062 PolarHBondContact O-N 3.23Å; A1044-F1124 HydrophobicContact CB-CZ 4.11Å |
| 1045 | G | 89.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99 | -146.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1049 G1060 | G1045-S1049 CarbonylContact C-O 3.6Å; G1045-S1049 WeakPolarHBondContact CA-O 3.31Å; G1045-S1049 WeakPolarHBondContact O-CB 3.49Å; G1045-G1060 CarbonylContact C-O 3.52Å; G1045-G1060 VanDerWaalsContact CA-O 3.3Å; G1045-G1060 WeakPolarHBondContact CA-O 3.38Å |
| 1046 | G | 86.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | 82.9 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | S1049 S1050 E1059 G1060 I1095 | G1046-S1049 CarbonylContact O-C 3.26Å; G1046-S1049 VanDerWaalsContact O-C 3.29Å; G1046-S1049 WeakPolarHBondContact O-CA 3.11Å; G1046-S1049 PolarHBondContact O-N 3.47Å; G1046-S1050 PolarHBondContact O-N 3.49Å; G1046-E1059 CarbonylContact C-O 3.52Å; G1046-E1059 WeakPolarHBondContact CA-O 3.18Å; G1046-E1059 PolarHBondContact N-O 3.02Å; G1046-G1060 PolarHBondContact N-O 3.38Å; G1046-I1095 CarbonylContact C-O 3.44Å; G1046-I1095 WeakPolarHBondContact CA-O 3.35Å |
| 1047 | V | 81.6 | Confident | 81.5 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 134.8 | -174.4 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | S1049 E1059 I1095 | V1047-S1049 PolarHBondContact O-N 2.87Å; V1047-E1059 VanDerWaalsContact CA-OE1 3.27Å; V1047-E1059 WeakPolarHBondContact CA-OE1 3.09Å; V1047-E1059 HydrophobicContact CG2-CB 4.29Å; V1047-I1095 PolarHBondContact N-O 2.94Å |
| 1048 | N | 74.6 | Confident | 81.5 | Confident | 143 Ų | 143 | 47 Ų | 47 | 77% | 0.765 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 14.8 | -168.5 | -57.1 | -77.1 | 0 | 0 | 0 | 115.1 | E1059 | N1048-E1059 PolarHBondContact N-OE1 3Š|
| 1049 | S | 79.9 | Confident | 81.5 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 44% | 0.441 | 26% | 0.256 | S | S | . | . | trans | -148.1 | 33.4 | -174.9 | -74.2 | 0 | 0 | 0 | 0 | 113.5 | G1045 G1046 V1047 V1051 | G1045-S1049 CarbonylContact C-O 3.6Å; G1045-S1049 WeakPolarHBondContact CA-O 3.31Å; G1045-S1049 WeakPolarHBondContact O-CB 3.49Å; G1046-S1049 CarbonylContact O-C 3.26Å; G1046-S1049 VanDerWaalsContact O-C 3.29Å; G1046-S1049 WeakPolarHBondContact O-CA 3.11Å; G1046-S1049 PolarHBondContact O-N 3.47Å; V1047-S1049 PolarHBondContact O-N 2.87Å; S1049-V1051 PolarHBondContact O-N 2.66Å | ||
| 1050 | S | 80.3 | Confident | 81.4 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | trans | -48.7 | 132.1 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | G1046 H1052 D1055 D1058 | G1046-S1050 PolarHBondContact O-N 3.49Å; S1050-H1052 PolarHBondContact OG-N 3.41Å; S1050-D1055 PolarHBondContact OG-O 3.21Å; S1050-D1058 VanDerWaalsContact CB-O 3.24Å; S1050-D1058 WeakPolarHBondContact CB-O 3.22Å; S1050-D1058 PolarHBondContact OG-O 2.9Å | ||
| 1051 | V | 83.2 | Confident | 81.6 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | trans | -113.9 | 4.1 | 175.8 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | A1044 S1049 F1062 I1119 F1124 L1127 | A1044-V1051 HydrophobicContact CB-CG1 3.94Å; A1044-V1051 HydrophobicContact CB-CG2 4.37Å; S1049-V1051 PolarHBondContact O-N 2.66Å; V1051-F1062 HydrophobicContact CG2-CD2 3.63Å; V1051-F1062 HydrophobicContact CG2-CE2 4.15Å; V1051-F1062 HydrophobicContact CG2-CG 4.47Å; V1051-I1119 HydrophobicContact CG2-CD1 3.85Å; V1051-F1124 HydrophobicContact CG2-CE2 4.12Å; V1051-F1124 HydrophobicContact CG2-CZ 4.39Å; V1051-L1127 WeakPolarHBondContact O-CD1 3.37Å | ||
| 1052 | H | 76.7 | Confident | 81.7 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | trans | -73.9 | 128.4 | -176 | -174.1 | -94.6 | 0 | 0 | 0 | 110.9 | S1050 Y1054 D1055 D1058 I1119 | S1050-H1052 PolarHBondContact OG-N 3.41Å; H1052-Y1054 VanDerWaalsContact C-N 3.3Å; H1052-Y1054 PolarHBondContact O-N 3.16Å; H1052-D1055 WeakPolarHBondContact CB-O 3.3Å; H1052-D1055 VanDerWaalsContact ND1-CB 3.28Å; H1052-D1055 WeakPolarHBondContact ND1-CB 3.1Å; H1052-D1055 PolarHBondContact ND1-N 2.87Å; H1052-D1055 VanDerWaalsContact ND1-N 3.1Å; H1052-D1058 HydrophobicContact CB-CB 3.82Å; H1052-D1058 IonicContact CD2-OD2 3.32Å; H1052-D1058 PolarHBondContact CD2-OD2 2.68Å; H1052-D1058 IonicContact CG-OD2 2.68Å; H1052-I1119 HydrophobicContact CB-CD1 4.32Å; H1052-I1119 HydrophobicContact CB-CG1 4.47Å | ||
| 1053 | P | 64.6 | Low | 81.8 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 28% | 0.279 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23 | -164.3 | 23 | -26.8 | 0 | 0 | 0 | 114 | I1119 C1123 L1127 | P1053-I1119 HydrophobicContact CG-CG2 4.35Å; P1053-C1123 HydrophobicContact CG-CB 4.09Å; P1053-L1127 HydrophobicContact CB-CD1 3.76Å; P1053-L1127 HydrophobicContact CB-CD2 3.95Å; P1053-L1127 HydrophobicContact CB-CG 4.11Å; P1053-L1127 HydrophobicContact CG-CD1 3.84Å |
| 1054 | Y | 69.3 | Low | 81.7 | Confident | 120 Ų | 120 | 38.9 Ų | 38.9 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -0.2 | -174 | -50.9 | -58 | 0 | 0 | 0 | 113 | R178 H1052 | R178-Y1054 VanDerWaalsContact NH1-CE2 3.29Å; R178-Y1054 PolarHBondContact NH1-OH 2.97Å; H1052-Y1054 VanDerWaalsContact C-N 3.3Å; H1052-Y1054 PolarHBondContact O-N 3.16Å |
| 1055 | D | 70.7 | Confident | 81.7 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | trans | -148.4 | 98.5 | -179.5 | -164 | -33.2 | 0 | 0 | 0 | 110.7 | H953 S1050 H1052 S1057 D1058 | H953-D1055 IonicContact CE1-OD2 2.71Å; H953-D1055 IonicContact NE2-OD2 3.71Å; H953-D1055 PolarHBondContact NE2-OD2 3.26Å; S1050-D1055 PolarHBondContact OG-O 3.21Å; H1052-D1055 WeakPolarHBondContact CB-O 3.3Å; H1052-D1055 VanDerWaalsContact ND1-CB 3.28Å; H1052-D1055 WeakPolarHBondContact ND1-CB 3.1Å; H1052-D1055 PolarHBondContact ND1-N 2.87Å; H1052-D1055 VanDerWaalsContact ND1-N 3.1Å; D1055-S1057 PolarHBondContact O-N 3.13Å; D1055-S1057 WeakPolarHBondContact OD1-CA 3.23Å; D1055-S1057 WeakPolarHBondContact OD1-CB 3.35Å; D1055-S1057 PolarHBondContact OD1-N 3.05Å; D1055-S1057 PolarHBondContact OD1-OG 2.88Å; D1055-D1058 HydrophobicContact CB-CB 4.21Å; D1055-D1058 PolarHBondContact O-N 3.48Å; D1055-D1058 PolarHBondContact OD1-N 3.1Å | ||
| 1056 | P | 71.4 | Confident | 81.8 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 73% | 0.734 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -2.3 | 179 | 31.8 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 1057 | S | 72.4 | Confident | 81.9 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.4 | 173.7 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | S951 D1055 E1059 | S951-S1057 WeakPolarHBondContact CB-O 3.33Å; S951-S1057 PolarHBondContact OG-O 2.93Å; D1055-S1057 PolarHBondContact O-N 3.13Å; D1055-S1057 WeakPolarHBondContact OD1-CA 3.23Å; D1055-S1057 WeakPolarHBondContact OD1-CB 3.35Å; D1055-S1057 PolarHBondContact OD1-N 3.05Å; D1055-S1057 PolarHBondContact OD1-OG 2.88Å; S1057-E1059 PolarHBondContact O-N 2.81Å |
| 1058 | D | 82.5 | Confident | 82.1 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -81.8 | 94.5 | 173.9 | -175.8 | 5.1 | 0 | 0 | 0 | 111.1 | H953 S1050 H1052 D1055 G1060 R1083 | H953-D1058 IonicContact CG-OD1 3.17Å; S1050-D1058 VanDerWaalsContact CB-O 3.24Å; S1050-D1058 WeakPolarHBondContact CB-O 3.22Å; S1050-D1058 PolarHBondContact OG-O 2.9Å; H1052-D1058 HydrophobicContact CB-CB 3.82Å; H1052-D1058 IonicContact CD2-OD2 3.32Å; H1052-D1058 PolarHBondContact CD2-OD2 2.68Å; H1052-D1058 IonicContact CG-OD2 2.68Å; D1055-D1058 HydrophobicContact CB-CB 4.21Å; D1055-D1058 PolarHBondContact O-N 3.48Å; D1055-D1058 PolarHBondContact OD1-N 3.1Å; D1058-G1060 PolarHBondContact O-N 3.01Å; D1058-G1060 PolarHBondContact OD1-N 3.48Å; D1058-G1060 VanDerWaalsContact OD1-N 3.16Å; D1058-R1083 IonicContact OD1-CZ 3.45Å; D1058-R1083 IonicContact OD1-NH1 2.62Å; D1058-R1083 PolarHBondContact OD1-NH1 3.48Å; D1058-R1083 IonicContact OD1-NH2 3.7Å; D1058-R1083 PolarHBondContact OD1-NH2 2.99Å; D1058-R1083 IonicContact OD2-CZ 2.87Å; D1058-R1083 IonicContact OD2-NH1 2.67Å; D1058-R1083 IonicContact OD2-NH2 2.78Å; D1058-R1083 PolarHBondContact OD2-NH2 3.41Å | ||
| 1059 | E | 84.4 | Confident | 82.5 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | trans | -87.2 | 24.1 | 179.7 | -58.4 | -166.2 | 117 | 0 | 0 | 113.1 | G1046 V1047 N1048 S1057 | G1046-E1059 CarbonylContact C-O 3.52Å; G1046-E1059 WeakPolarHBondContact CA-O 3.18Å; G1046-E1059 PolarHBondContact N-O 3.02Å; V1047-E1059 VanDerWaalsContact CA-OE1 3.27Å; V1047-E1059 WeakPolarHBondContact CA-OE1 3.09Å; V1047-E1059 HydrophobicContact CG2-CB 4.29Å; N1048-E1059 PolarHBondContact N-OE1 3Å; S1057-E1059 PolarHBondContact O-N 2.81Å | ||
| 1060 | G | 88.5 | Confident | 83 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -61.2 | 156.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1045 G1046 D1058 F1062 | G1045-G1060 CarbonylContact C-O 3.52Å; G1045-G1060 VanDerWaalsContact CA-O 3.3Å; G1045-G1060 WeakPolarHBondContact CA-O 3.38Å; G1046-G1060 PolarHBondContact N-O 3.38Å; D1058-G1060 PolarHBondContact O-N 3.01Å; D1058-G1060 PolarHBondContact OD1-N 3.48Å; D1058-G1060 VanDerWaalsContact OD1-N 3.16Å; G1060-F1062 VanDerWaalsContact O-CD2 3.28Å; G1060-F1062 WeakPolarHBondContact O-CD2 3.27Å; G1060-F1062 VanDerWaalsContact O-CE2 3.24Å; G1060-F1062 WeakPolarHBondContact O-CE2 3.29Å | ||
| 1061 | I | 92.7 | Very high | 83.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.2 | 168.6 | -61.7 | -66.5 | 0 | 0 | 0 | 108.8 | I1043 R1083 I1084 L1092 A1100 | I1043-I1061 HydrophobicContact CB-CG2 4.06Å; I1043-I1061 HydrophobicContact CD1-CG2 4.01Å; I1043-I1061 HydrophobicContact CG2-CG2 3.95Å; I1061-R1083 CarbonylContact O-C 3.48Å; I1061-R1083 WeakPolarHBondContact O-CA 3.43Å; I1061-R1083 WeakPolarHBondContact O-CG 3.38Å; I1061-I1084 HydrophobicContact CG2-CB 4.44Å; I1061-I1084 PolarHBondContact O-N 3.47Å; I1061-L1092 HydrophobicContact CB-CB 4.43Å; I1061-L1092 HydrophobicContact CB-CD1 4.46Å; I1061-L1092 HydrophobicContact CG1-CB 4.12Å; I1061-L1092 HydrophobicContact CG2-CD1 4.16Å; I1061-A1100 HydrophobicContact CD1-CB 3.66Å; I1061-A1100 HydrophobicContact CG1-CB 3.89Å; I1061-A1100 HydrophobicContact CG2-CB 4.11Å |
| 1062 | F | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.6 | -176.5 | -56.8 | -88.2 | 0 | 0 | 0 | 111.2 | I1043 A1044 V1051 G1060 S1064 D1082 R1083 I1119 F1124 | I1043-F1062 CarbonylContact C-O 3.34Å; I1043-F1062 WeakPolarHBondContact CA-O 3.37Å; A1044-F1062 PolarHBondContact N-O 3.14Å; A1044-F1062 PolarHBondContact O-N 3.23Å; V1051-F1062 HydrophobicContact CG2-CD2 3.63Å; V1051-F1062 HydrophobicContact CG2-CE2 4.15Å; V1051-F1062 HydrophobicContact CG2-CG 4.47Å; G1060-F1062 VanDerWaalsContact O-CD2 3.28Å; G1060-F1062 WeakPolarHBondContact O-CD2 3.27Å; G1060-F1062 VanDerWaalsContact O-CE2 3.24Å; G1060-F1062 WeakPolarHBondContact O-CE2 3.29Å; F1062-S1064 PolarHBondContact O-N 3.15Å; F1062-D1082 WeakPolarHBondContact CA-O 3.44Å; F1062-R1083 HydrophobicContact CD1-CB 3.94Å; F1062-R1083 HydrophobicContact CD1-CG 4.33Å; F1062-R1083 HydrophobicContact CE1-CB 3.93Å; F1062-R1083 HydrophobicContact CE1-CG 4.13Å; F1062-I1119 HydrophobicContact CD1-CB 4.47Å; F1062-I1119 HydrophobicContact CD1-CD1 3.92Å; F1062-I1119 HydrophobicContact CD1-CG1 3.96Å; F1062-I1119 HydrophobicContact CD2-CD1 3.83Å; F1062-I1119 HydrophobicContact CE1-CD1 3.99Å; F1062-I1119 HydrophobicContact CE1-CG1 3.79Å; F1062-I1119 HydrophobicContact CE2-CD1 3.91Å; F1062-I1119 HydrophobicContact CG-CD1 3.83Å; F1062-I1119 HydrophobicContact CG-CG1 4.38Å; F1062-I1119 HydrophobicContact CZ-CD1 3.98Å; F1062-I1119 HydrophobicContact CZ-CG1 4.08Å; F1062-F1124 HydrophobicContact CB-CE2 3.87Å |
| 1063 | I | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 112 | 170.6 | -62.1 | -178 | 0 | 0 | 0 | 108.4 | I1066 L1078 G1081 D1082 I1084 | I1063-I1066 HydrophobicContact CG2-CD1 4.43Å; I1063-I1066 HydrophobicContact CG2-CG1 3.82Å; I1063-L1078 HydrophobicContact CD1-CB 3.95Å; I1063-L1078 HydrophobicContact CD1-CD1 4.12Å; I1063-L1078 HydrophobicContact CD1-CD2 4.02Å; I1063-L1078 HydrophobicContact CD1-CG 4.26Å; I1063-G1081 PolarHBondContact O-N 3.11Å; I1063-D1082 HydrophobicContact CD1-CB 4.22Å; I1063-D1082 PolarHBondContact N-O 3.05Å; I1063-I1084 HydrophobicContact CD1-CD1 4.42Å; I1063-I1084 HydrophobicContact CD1-CG1 4.4Å; I1063-I1084 HydrophobicContact CG1-CD1 3.86Å; I1063-I1084 HydrophobicContact CG1-CG1 3.93Å |
| 1064 | S | 89.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -22 | -177.1 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | E1042 I1043 F1062 F1124 | E1042-S1064 WeakPolarHBondContact CB-OG 3.47Å; E1042-S1064 PolarHBondContact O-N 2.99Å; E1042-S1064 PolarHBondContact O-OG 3.3Å; I1043-S1064 WeakPolarHBondContact CA-OG 3.41Å; I1043-S1064 PolarHBondContact N-OG 3.38Å; I1043-S1064 PolarHBondContact O-OG 3.36Å; F1062-S1064 PolarHBondContact O-N 3.15Å; S1064-F1124 VanDerWaalsContact CB-CZ 3.46Å |
| 1065 | K | 90.2 | Very high | 86.7 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 149.9 | 178.3 | 158.4 | -175.5 | 168.8 | -162.8 | 0 | 109.1 | L16 E1042 | L16-K1065 HydrophobicContact CB-CD 4.1Å; L16-K1065 HydrophobicContact CD1-CB 4.24Å; L16-K1065 HydrophobicContact CD1-CD 3.88Å; L16-K1065 HydrophobicContact CD1-CG 4.04Å; L16-K1065 HydrophobicContact CD2-CD 3.84Å; L16-K1065 HydrophobicContact CG-CD 4.14Å; E1042-K1065 HydrophobicContact CB-CB 4.19Å; E1042-K1065 HydrophobicContact CG-CD 4.46Å; E1042-K1065 PolarHBondContact N-O 3.23Å; E1042-K1065 WeakPolarHBondContact OE1-CD 3.44Å; E1042-K1065 WeakPolarHBondContact OE1-CE 3.44Å; E1042-K1065 IonicContact OE1-NZ 2.72Å; E1042-K1065 PolarHBondContact OE1-NZ 2.93Å; E1042-K1065 IonicContact OE2-NZ 3.32Å |
| 1066 | I | 91.5 | Very high | 87.6 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.4 | 166.3 | -66.6 | 171.3 | 0 | 0 | 0 | 107.1 | I1063 P1068 V1072 A1073 L1078 V1080 | I1063-I1066 HydrophobicContact CG2-CD1 4.43Å; I1063-I1066 HydrophobicContact CG2-CG1 3.82Å; I1066-P1068 VanDerWaalsContact O-CD 3.27Å; I1066-P1068 WeakPolarHBondContact O-CD 3.46Å; I1066-V1072 HydrophobicContact CD1-CG1 4.02Å; I1066-V1072 HydrophobicContact CG1-CG1 4.06Å; I1066-V1072 HydrophobicContact CG2-CB 4.43Å; I1066-V1072 HydrophobicContact CG2-CG1 3.93Å; I1066-A1073 HydrophobicContact CG2-CB 3.8Å; I1066-L1078 HydrophobicContact CD1-CB 4.43Å; I1066-L1078 WeakPolarHBondContact CD1-O 3.25Å; I1066-V1080 HydrophobicContact CG1-CG2 4.37Å |
| 1067 | I | 88.8 | Confident | 88.6 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | trans | -92.8 | 111.7 | 178.4 | -56.3 | -178.1 | 0 | 0 | 0 | 107.7 | G1040 E1042 A1070 | G1040-I1067 PolarHBondContact O-N 2.85Å; E1042-I1067 HydrophobicContact CG-CD1 4.39Å; I1067-A1070 WeakPolarHBondContact O-CB 3.42Å; I1067-A1070 PolarHBondContact O-N 3.05Å | ||
| 1068 | P | 86.1 | Confident | 89.5 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 25% | 0.253 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 154.8 | -168.6 | -28 | 45.2 | 0 | 0 | 0 | 114.4 | E15 I1066 A1070 A1073 | E15-P1068 HydrophobicContact CB-CB 4.28Å; E15-P1068 HydrophobicContact CB-CG 3.66Å; E15-P1068 HydrophobicContact CG-CB 3.78Å; E15-P1068 HydrophobicContact CG-CG 3.74Å; E15-P1068 WeakPolarHBondContact OE1-CB 3.13Å; E15-P1068 VanDerWaalsContact OE2-CB 3.32Å; E15-P1068 WeakPolarHBondContact OE2-CB 3.41Å; E15-P1068 WeakPolarHBondContact OE2-CG 3.44Å; I1066-P1068 VanDerWaalsContact O-CD 3.27Å; I1066-P1068 WeakPolarHBondContact O-CD 3.46Å; P1068-A1070 PolarHBondContact O-N 2.96Å; P1068-A1073 HydrophobicContact CB-CB 4.35Å |
| 1069 | G | 83.5 | Confident | 89.9 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 54% | 0.536 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -5.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1074 | G1069-K1074 WeakPolarHBondContact O-CE 3.29Å; G1069-K1074 PolarHBondContact O-NZ 3.05Å |
| 1070 | A | 89.9 | Confident | 90.2 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -87.8 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1038 I1067 P1068 V1072 A1073 K1074 | P1038-A1070 HydrophobicContact CG-CB 4.11Å; I1067-A1070 WeakPolarHBondContact O-CB 3.42Å; I1067-A1070 PolarHBondContact O-N 3.05Å; P1068-A1070 PolarHBondContact O-N 2.96Å; A1070-V1072 PolarHBondContact O-N 2.61Å; A1070-A1073 PolarHBondContact O-N 3.26Å; A1070-A1073 VanDerWaalsContact O-N 3.15Å; A1070-K1074 WeakPolarHBondContact O-CG 3.39Å; A1070-K1074 PolarHBondContact O-N 3.15Å |
| 1071 | A | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.6 | -47.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | V1031 R1033 E1037 P1038 A1073 K1074 D1075 | V1031-A1071 HydrophobicContact CG1-CB 4.06Å; R1033-A1071 HydrophobicContact CB-CB 3.61Å; E1037-A1071 HydrophobicContact CG-CB 4.29Å; P1038-A1071 PolarHBondContact O-N 3.4Å; A1071-A1073 PolarHBondContact O-N 2.93Å; A1071-K1074 PolarHBondContact O-N 2.95Å; A1071-D1075 WeakPolarHBondContact O-CB 3.4Å; A1071-D1075 PolarHBondContact O-N 3.22Å; A1071-D1075 VanDerWaalsContact O-N 3.08Å |
| 1072 | V | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 179.1 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | V1031 L1039 L1041 I1066 A1070 D1075 G1076 L1078 | V1031-V1072 HydrophobicContact CG1-CG2 4.17Å; L1039-V1072 HydrophobicContact CD1-CG2 3.81Å; L1039-V1072 HydrophobicContact CG-CG2 4.03Å; L1039-V1072 WeakPolarHBondContact O-CB 3.4Å; L1039-V1072 WeakPolarHBondContact O-CG2 3.45Å; L1039-V1072 PolarHBondContact O-N 3.19Å; L1041-V1072 HydrophobicContact CB-CG2 4.47Å; L1041-V1072 HydrophobicContact CD2-CG2 4.08Å; I1066-V1072 HydrophobicContact CD1-CG1 4.02Å; I1066-V1072 HydrophobicContact CG1-CG1 4.06Å; I1066-V1072 HydrophobicContact CG2-CB 4.43Å; I1066-V1072 HydrophobicContact CG2-CG1 3.93Å; A1070-V1072 PolarHBondContact O-N 2.61Å; V1072-D1075 PolarHBondContact O-N 2.68Å; V1072-G1076 PolarHBondContact O-N 3.29Å; V1072-L1078 HydrophobicContact CG1-CB 3.94Å; V1072-L1078 HydrophobicContact CG1-CD1 3.93Å; V1072-L1078 HydrophobicContact CG2-CD1 4.27Å |
| 1073 | A | 89.8 | Confident | 90.3 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.3 | -32.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I1066 P1068 A1070 A1071 D1075 | I1066-A1073 HydrophobicContact CG2-CB 3.8Å; P1068-A1073 HydrophobicContact CB-CB 4.35Å; A1070-A1073 PolarHBondContact O-N 3.26Å; A1070-A1073 VanDerWaalsContact O-N 3.15Å; A1071-A1073 PolarHBondContact O-N 2.93Å; A1073-D1075 VanDerWaalsContact C-N 3.34Å |
| 1074 | K | 87.2 | Confident | 90.3 | Very high | 131 Ų | 131 | 35.5 Ų | 35.5 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69.6 | -32 | 172.4 | -72.4 | 168.5 | 173.3 | 168.7 | 0 | 112.5 | E1037 G1069 A1070 A1071 | E1037-K1074 IonicContact OE2-NZ 2.76Å; E1037-K1074 PolarHBondContact OE2-NZ 3.41Å; G1069-K1074 WeakPolarHBondContact O-CE 3.29Å; G1069-K1074 PolarHBondContact O-NZ 3.05Å; A1070-K1074 WeakPolarHBondContact O-CG 3.39Å; A1070-K1074 PolarHBondContact O-N 3.15Å; A1071-K1074 PolarHBondContact O-N 2.95Å |
| 1075 | D | 91.5 | Very high | 90.4 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.6 | -39.1 | 179.7 | -170.9 | -80.7 | 0 | 0 | 0 | 112.6 | V1031 A1071 V1072 A1073 R1077 | V1031-D1075 HydrophobicContact CG1-CB 4.06Å; V1031-D1075 HydrophobicContact CG2-CB 4.22Å; A1071-D1075 WeakPolarHBondContact O-CB 3.4Å; A1071-D1075 PolarHBondContact O-N 3.22Å; A1071-D1075 VanDerWaalsContact O-N 3.08Å; V1072-D1075 PolarHBondContact O-N 2.68Å; A1073-D1075 VanDerWaalsContact C-N 3.34Å; D1075-R1077 VanDerWaalsContact CG-NH2 3.32Å; D1075-R1077 PolarHBondContact O-N 2.66Å; D1075-R1077 VanDerWaalsContact O-N 3.09Å; D1075-R1077 WeakPolarHBondContact OD1-CB 3.38Å; D1075-R1077 IonicContact OD1-CZ 3.59Å; D1075-R1077 IonicContact OD1-NE 3.65Å; D1075-R1077 PolarHBondContact OD1-NE 3.06Å; D1075-R1077 IonicContact OD1-NH2 2.69Å; D1075-R1077 PolarHBondContact OD1-NH2 3.18Å; D1075-R1077 IonicContact OD2-CZ 2.76Å; D1075-R1077 IonicContact OD2-NE 3.17Å; D1075-R1077 IonicContact OD2-NH2 3.39Å; D1075-R1077 PolarHBondContact OD2-NH2 3.45Å |
| 1076 | G | 89.2 | Confident | 90.4 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 56% | 0.557 | 21% | 0.207 | S | C | * | . | trans | 72 | -3.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1072 | V1072-G1076 PolarHBondContact O-N 3.29Š| ||
| 1077 | R | 92.3 | Very high | 90.4 | Very high | 121 Ų | 121 | 33.1 Ų | 33.1 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | trans | -85.6 | -10.9 | -178.3 | -64.8 | 176.8 | -68.2 | 168.7 | -2.4 | 115 | R1027 L1029 T1030 D1075 | R1027-R1077 PolarHBondContact NH1-O 2.63Å; L1029-R1077 HydrophobicContact CD2-CB 4.35Å; T1030-R1077 PolarHBondContact O-NH2 3.48Å; D1075-R1077 VanDerWaalsContact CG-NH2 3.32Å; D1075-R1077 PolarHBondContact O-N 2.66Å; D1075-R1077 VanDerWaalsContact O-N 3.09Å; D1075-R1077 WeakPolarHBondContact OD1-CB 3.38Å; D1075-R1077 IonicContact OD1-CZ 3.59Å; D1075-R1077 IonicContact OD1-NE 3.65Å; D1075-R1077 PolarHBondContact OD1-NE 3.06Å; D1075-R1077 IonicContact OD1-NH2 2.69Å; D1075-R1077 PolarHBondContact OD1-NH2 3.18Å; D1075-R1077 IonicContact OD2-CZ 2.76Å; D1075-R1077 IonicContact OD2-NE 3.17Å; D1075-R1077 IonicContact OD2-NH2 3.39Å; D1075-R1077 PolarHBondContact OD2-NH2 3.45Å | ||
| 1078 | L | 92.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | trans | -101.4 | 143.8 | 172.9 | -70.9 | 174 | 0 | 0 | 0 | 110 | L1029 V1031 I1063 I1066 V1072 F1113 V1115 | L1029-L1078 HydrophobicContact CD1-CD1 4.1Å; L1029-L1078 HydrophobicContact CD1-CD2 4Å; L1029-L1078 HydrophobicContact CD1-CG 3.82Å; L1029-L1078 HydrophobicContact CD2-CD2 3.84Å; L1029-L1078 HydrophobicContact CD2-CG 4.3Å; L1029-L1078 HydrophobicContact CG-CD2 4.45Å; V1031-L1078 HydrophobicContact CG2-CD1 4.22Å; I1063-L1078 HydrophobicContact CD1-CB 3.95Å; I1063-L1078 HydrophobicContact CD1-CD1 4.12Å; I1063-L1078 HydrophobicContact CD1-CD2 4.02Å; I1063-L1078 HydrophobicContact CD1-CG 4.26Å; I1066-L1078 HydrophobicContact CD1-CB 4.43Å; I1066-L1078 WeakPolarHBondContact CD1-O 3.25Å; V1072-L1078 HydrophobicContact CG1-CB 3.94Å; V1072-L1078 HydrophobicContact CG1-CD1 3.93Å; V1072-L1078 HydrophobicContact CG2-CD1 4.27Å; L1078-F1113 HydrophobicContact CD1-CD1 4.34Å; L1078-F1113 HydrophobicContact CD1-CD2 4.07Å; L1078-F1113 HydrophobicContact CD1-CE1 4.26Å; L1078-F1113 HydrophobicContact CD1-CE2 3.98Å; L1078-F1113 HydrophobicContact CD1-CG 4.24Å; L1078-F1113 HydrophobicContact CD1-CZ 4.07Å; L1078-V1115 HydrophobicContact CD2-CB 4.35Å; L1078-V1115 HydrophobicContact CD2-CG1 3.59Å; L1078-V1115 HydrophobicContact CD2-CG2 3.96Å | ||
| 1079 | S | 91.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | trans | -124.5 | 156.7 | 178.7 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | G1081 D1082 | S1079-G1081 PolarHBondContact O-N 3.05Å; S1079-D1082 PolarHBondContact N-OD2 2.88Å; S1079-D1082 WeakPolarHBondContact O-CB 3.31Å; S1079-D1082 PolarHBondContact O-N 3.42Å | ||
| 1080 | V | 90.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 135.6 | 166.7 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | I1066 P1121 F1124 | I1066-V1080 HydrophobicContact CG1-CG2 4.37Å; V1080-P1121 HydrophobicContact CB-CB 4.38Å; V1080-P1121 HydrophobicContact CG1-CB 4.47Å; V1080-P1121 WeakPolarHBondContact O-CB 3.45Å; V1080-F1124 HydrophobicContact CG1-CB 4.43Å; V1080-F1124 HydrophobicContact CG1-CD1 4.44Å; V1080-F1124 HydrophobicContact CG1-CG 4.4Å |
| 1081 | G | 88.9 | Confident | 90 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -20.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1063 S1079 R1083 G1118 I1119 | I1063-G1081 PolarHBondContact O-N 3.11Å; S1079-G1081 PolarHBondContact O-N 3.05Å; G1081-R1083 PolarHBondContact O-N 3.13Å; G1081-G1118 CarbonylContact O-C 3.58Å; G1081-G1118 VanDerWaalsContact O-CA 3.25Å; G1081-G1118 WeakPolarHBondContact O-CA 3.43Å; G1081-I1119 CarbonylContact C-O 3.16Å; G1081-I1119 WeakPolarHBondContact CA-O 3.29Å; G1081-I1119 PolarHBondContact O-N 3.03Å |
| 1082 | D | 93.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 135.1 | 173.3 | -78.6 | -19.3 | 0 | 0 | 0 | 110.3 | R1027 F1062 I1063 S1079 | R1027-D1082 IonicContact CZ-OD1 3.78Å; R1027-D1082 IonicContact CZ-OD2 2.81Å; R1027-D1082 IonicContact NH1-OD1 3.92Å; R1027-D1082 PolarHBondContact NH1-OD1 2.85Å; R1027-D1082 IonicContact NH1-OD2 2.75Å; R1027-D1082 PolarHBondContact NH1-OD2 3.47Å; R1027-D1082 IonicContact NH2-OD1 2.99Å; R1027-D1082 PolarHBondContact NH2-OD1 3.28Å; R1027-D1082 IonicContact NH2-OD2 3.3Å; F1062-D1082 WeakPolarHBondContact CA-O 3.44Å; I1063-D1082 HydrophobicContact CD1-CB 4.22Å; I1063-D1082 PolarHBondContact N-O 3.05Å; S1079-D1082 PolarHBondContact N-OD2 2.88Å; S1079-D1082 WeakPolarHBondContact O-CB 3.31Å; S1079-D1082 PolarHBondContact O-N 3.42Å |
| 1083 | R | 93.2 | Very high | 89.6 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.1 | 173.1 | -176.2 | -163.2 | -60.7 | -101 | -9.3 | 109.2 | D1058 I1061 F1062 G1081 V1115 C1116 | D1058-R1083 IonicContact OD1-CZ 3.45Å; D1058-R1083 IonicContact OD1-NH1 2.62Å; D1058-R1083 PolarHBondContact OD1-NH1 3.48Å; D1058-R1083 IonicContact OD1-NH2 3.7Å; D1058-R1083 PolarHBondContact OD1-NH2 2.99Å; D1058-R1083 IonicContact OD2-CZ 2.87Å; D1058-R1083 IonicContact OD2-NH1 2.67Å; D1058-R1083 IonicContact OD2-NH2 2.78Å; D1058-R1083 PolarHBondContact OD2-NH2 3.41Å; I1061-R1083 CarbonylContact O-C 3.48Å; I1061-R1083 WeakPolarHBondContact O-CA 3.43Å; I1061-R1083 WeakPolarHBondContact O-CG 3.38Å; F1062-R1083 HydrophobicContact CD1-CB 3.94Å; F1062-R1083 HydrophobicContact CD1-CG 4.33Å; F1062-R1083 HydrophobicContact CE1-CB 3.93Å; F1062-R1083 HydrophobicContact CE1-CG 4.13Å; G1081-R1083 PolarHBondContact O-N 3.13Å; R1083-V1115 CarbonylContact O-C 3.29Å; R1083-V1115 WeakPolarHBondContact O-CA 3.46Å; R1083-V1115 VanDerWaalsContact O-CB 3.28Å; R1083-V1115 WeakPolarHBondContact O-CB 3.43Å; R1083-C1116 PolarHBondContact N-O 3.3Å; R1083-C1116 PolarHBondContact O-N 3.47Å |
| 1084 | I | 94 | Very high | 89 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.8 | 172.1 | -47.4 | 177.2 | 0 | 0 | 0 | 109.3 | L1041 I1043 I1061 I1063 V1087 L1092 F1113 V1115 | L1041-I1084 HydrophobicContact CD1-CD1 4.47Å; L1041-I1084 HydrophobicContact CD2-CD1 4.48Å; I1043-I1084 HydrophobicContact CG2-CD1 3.91Å; I1061-I1084 HydrophobicContact CG2-CB 4.44Å; I1061-I1084 PolarHBondContact O-N 3.47Å; I1063-I1084 HydrophobicContact CD1-CD1 4.42Å; I1063-I1084 HydrophobicContact CD1-CG1 4.4Å; I1063-I1084 HydrophobicContact CG1-CD1 3.86Å; I1063-I1084 HydrophobicContact CG1-CG1 3.93Å; I1084-V1087 HydrophobicContact CG2-CG2 3.6Å; I1084-L1092 HydrophobicContact CB-CD1 3.94Å; I1084-L1092 HydrophobicContact CG2-CD1 3.53Å; I1084-L1092 HydrophobicContact CG2-CG 4.3Å; I1084-F1113 HydrophobicContact CD1-CE1 4.31Å; I1084-F1113 HydrophobicContact CG2-CD1 4.12Å; I1084-V1115 HydrophobicContact CG1-CG1 4.38Å |
| 1085 | I | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -46.1 | 178.4 | -57.8 | 175.6 | 0 | 0 | 0 | 110.5 | P954 L1026 L1092 L1093 L1114 C1116 | P954-I1085 HydrophobicContact CG-CD1 3.83Å; P954-I1085 HydrophobicContact CG-CG1 4.24Å; L1026-I1085 HydrophobicContact CD1-CD1 3.55Å; I1085-L1092 PolarHBondContact O-N 3.26Å; I1085-L1093 HydrophobicContact CG2-CD1 4.16Å; I1085-L1093 HydrophobicContact CG2-CD2 4.27Å; I1085-L1093 HydrophobicContact CG2-CG 4.18Å; I1085-L1114 WeakPolarHBondContact CA-O 3.31Å; I1085-L1114 HydrophobicContact CB-CD2 4.21Å; I1085-L1114 HydrophobicContact CB-CG 4.31Å; I1085-L1114 HydrophobicContact CG2-CD2 4.03Å; I1085-L1114 PolarHBondContact N-O 3.28Å; I1085-C1116 HydrophobicContact CD1-CB 3.97Å |
| 1086 | E | 90.8 | Very high | 88.7 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.9 | 173.6 | -58.2 | -147.3 | 144.4 | 0 | 0 | 112.9 | K967 N1089 K1090 F1113 L1114 | K967-E1086 VanDerWaalsContact CD-OE1 3.29Å; K967-E1086 WeakPolarHBondContact CD-OE1 3.27Å; K967-E1086 WeakPolarHBondContact CG-OE1 3.48Å; K967-E1086 IonicContact NZ-OE1 3.61Å; K967-E1086 PolarHBondContact NZ-OE1 2.97Å; K967-E1086 IonicContact NZ-OE2 3.01Å; K967-E1086 PolarHBondContact NZ-OE2 3.18Å; E1086-N1089 WeakPolarHBondContact OE2-CA 3.28Å; E1086-K1090 CarbonylContact C-O 3.52Å; E1086-K1090 VanDerWaalsContact CA-O 3.24Å; E1086-K1090 WeakPolarHBondContact CA-O 3.21Å; E1086-K1090 WeakPolarHBondContact CB-O 3.4Å; E1086-F1113 WeakPolarHBondContact O-CA 3.45Å; E1086-L1114 HydrophobicContact CB-CB 3.98Å; E1086-L1114 HydrophobicContact CG-CB 4.38Å; E1086-L1114 HydrophobicContact CG-CD2 4.32Å; E1086-L1114 PolarHBondContact N-O 3.45Å; E1086-L1114 VanDerWaalsContact N-O 3.12Å; E1086-L1114 PolarHBondContact O-N 2.88Å |
| 1087 | V | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 125 | 168.5 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | I1084 N1089 K1090 L1092 V1103 L1104 V1111 H1112 F1113 | I1084-V1087 HydrophobicContact CG2-CG2 3.6Å; V1087-N1089 VanDerWaalsContact C-N 3.27Å; V1087-N1089 PolarHBondContact O-N 3.4Å; V1087-K1090 PolarHBondContact N-O 3.12Å; V1087-K1090 WeakPolarHBondContact O-CB 3.05Å; V1087-K1090 PolarHBondContact O-N 2.9Å; V1087-L1092 HydrophobicContact CB-CD2 4.47Å; V1087-L1092 HydrophobicContact CG2-CD1 3.86Å; V1087-L1092 HydrophobicContact CG2-CD2 4.49Å; V1087-L1092 HydrophobicContact CG2-CG 4.36Å; V1087-V1103 HydrophobicContact CB-CG1 3.81Å; V1087-V1103 HydrophobicContact CG1-CG1 3.98Å; V1087-L1104 HydrophobicContact CG1-CD2 4.25Å; V1087-L1104 HydrophobicContact CG2-CD2 3.92Å; V1087-V1111 HydrophobicContact CG1-CG1 3.84Å; V1087-H1112 CarbonylContact C-O 3.59Å; V1087-H1112 WeakPolarHBondContact CA-O 3.27Å; V1087-F1113 HydrophobicContact CG2-CD1 3.82Å; V1087-F1113 HydrophobicContact CG2-CE1 3.98Å |
| 1088 | N | 89.5 | Confident | 88.6 | Confident | 55 Ų | 55 | 35.5 Ų | 35.5 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 51.2 | -179.2 | -78.6 | -4.2 | 0 | 0 | 0 | 112.7 | K1090 H1110 V1111 H1112 | N1088-K1090 PolarHBondContact O-N 2.89Å; N1088-H1110 PolarHBondContact ND2-O 3.26Å; N1088-H1110 VanDerWaalsContact ND2-O 3.15Å; N1088-V1111 WeakPolarHBondContact OD1-CA 3.29Å; N1088-H1112 PolarHBondContact N-O 3.19Å; N1088-H1112 WeakPolarHBondContact OD1-CB 3.36Å; N1088-H1112 PolarHBondContact OD1-N 3.28Å |
| 1089 | N | 79.8 | Confident | 88.6 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 12.4 | -177.9 | -79.3 | -73.1 | 0 | 0 | 0 | 116.6 | K967 E1086 V1087 | K967-N1089 PolarHBondContact NZ-O 3.29Å; K967-N1089 PolarHBondContact NZ-OD1 2.98Å; E1086-N1089 WeakPolarHBondContact OE2-CA 3.28Å; V1087-N1089 VanDerWaalsContact C-N 3.27Å; V1087-N1089 PolarHBondContact O-N 3.4Å |
| 1090 | K | 84 | Confident | 88.6 | Confident | 94 Ų | 94 | 37 Ų | 37 | 41% | 0.409 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.5 | 167.6 | -56 | 178.2 | -171.1 | 169.1 | 0 | 109.3 | E1086 V1087 N1088 V1103 S1106 | E1086-K1090 CarbonylContact C-O 3.52Å; E1086-K1090 VanDerWaalsContact CA-O 3.24Å; E1086-K1090 WeakPolarHBondContact CA-O 3.21Å; E1086-K1090 WeakPolarHBondContact CB-O 3.4Å; V1087-K1090 PolarHBondContact N-O 3.12Å; V1087-K1090 WeakPolarHBondContact O-CB 3.05Å; V1087-K1090 PolarHBondContact O-N 2.9Å; N1088-K1090 PolarHBondContact O-N 2.89Å; K1090-V1103 HydrophobicContact CB-CG1 4.23Å; K1090-V1103 HydrophobicContact CD-CB 4.36Å; K1090-V1103 HydrophobicContact CD-CG1 3.85Å; K1090-V1103 HydrophobicContact CD-CG2 3.71Å; K1090-S1106 PolarHBondContact NZ-OG 2.69Å |
| 1091 | S | 85.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 141 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | L1093 | S1091-L1093 PolarHBondContact OG-N 2.66Å |
| 1092 | L | 89.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -107.3 | 10.1 | 172.3 | -45.6 | -166.8 | 0 | 0 | 0 | 112.5 | I1061 I1084 I1085 V1087 I1095 A1100 V1103 | I1061-L1092 HydrophobicContact CB-CB 4.43Å; I1061-L1092 HydrophobicContact CB-CD1 4.46Å; I1061-L1092 HydrophobicContact CG1-CB 4.12Å; I1061-L1092 HydrophobicContact CG2-CD1 4.16Å; I1084-L1092 HydrophobicContact CB-CD1 3.94Å; I1084-L1092 HydrophobicContact CG2-CD1 3.53Å; I1084-L1092 HydrophobicContact CG2-CG 4.3Å; I1085-L1092 PolarHBondContact O-N 3.26Å; V1087-L1092 HydrophobicContact CB-CD2 4.47Å; V1087-L1092 HydrophobicContact CG2-CD1 3.86Å; V1087-L1092 HydrophobicContact CG2-CD2 4.49Å; V1087-L1092 HydrophobicContact CG2-CG 4.36Å; L1092-I1095 HydrophobicContact CB-CD1 3.96Å; L1092-I1095 HydrophobicContact CB-CG1 4.3Å; L1092-I1095 HydrophobicContact CD2-CD1 3.77Å; L1092-I1095 HydrophobicContact CG-CD1 4.39Å; L1092-A1100 HydrophobicContact CD1-CB 4.27Å; L1092-V1103 HydrophobicContact CD2-CB 4.14Å; L1092-V1103 HydrophobicContact CD2-CG1 3.76Å; L1092-V1103 HydrophobicContact CD2-CG2 4.4Å | ||
| 1093 | L | 85 | Confident | 88.7 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 132.1 | 172 | -55.2 | -178.6 | 0 | 0 | 0 | 109.5 | V945 F955 I1085 S1091 | V945-L1093 HydrophobicContact CB-CD1 4.42Å; V945-L1093 HydrophobicContact CG1-CD1 4.14Å; V945-L1093 HydrophobicContact CG2-CB 4.14Å; V945-L1093 HydrophobicContact CG2-CD1 4.28Å; F955-L1093 HydrophobicContact CE2-CD1 3.74Å; F955-L1093 HydrophobicContact CZ-CD1 4.48Å; I1085-L1093 HydrophobicContact CG2-CD1 4.16Å; I1085-L1093 HydrophobicContact CG2-CD2 4.27Å; I1085-L1093 HydrophobicContact CG2-CG 4.18Å; S1091-L1093 PolarHBondContact OG-N 2.66Å |
| 1094 | G | 78.8 | Confident | 88.6 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 57% | 0.567 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 25.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1095 | I | 83.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | trans | -118.3 | 159.9 | 173.4 | 74 | 174.4 | 0 | 0 | 0 | 112.4 | G1046 V1047 L1092 Q1099 A1100 | G1046-I1095 CarbonylContact C-O 3.44Å; G1046-I1095 WeakPolarHBondContact CA-O 3.35Å; V1047-I1095 PolarHBondContact N-O 2.94Å; L1092-I1095 HydrophobicContact CB-CD1 3.96Å; L1092-I1095 HydrophobicContact CB-CG1 4.3Å; L1092-I1095 HydrophobicContact CD2-CD1 3.77Å; L1092-I1095 HydrophobicContact CG-CD1 4.39Å; I1095-Q1099 HydrophobicContact CB-CB 4.11Å; I1095-Q1099 HydrophobicContact CD1-CB 4.09Å; I1095-Q1099 HydrophobicContact CG1-CB 4.4Å; I1095-A1100 HydrophobicContact CD1-CB 3.8Å; I1095-A1100 HydrophobicContact CG1-CB 4.26Å | ||
| 1096 | T | 88.4 | Confident | 88 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 157 | 173.5 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | Q1098 Q1099 A1100 | T1096-Q1098 PolarHBondContact O-N 2.84Å; T1096-Q1099 PolarHBondContact O-N 3.31Å; T1096-Q1099 VanDerWaalsContact O-N 3.12Å; T1096-Q1099 WeakPolarHBondContact OG1-CG 3.48Å; T1096-Q1099 PolarHBondContact OG1-N 3.45Å; T1096-Q1099 PolarHBondContact OG1-OE1 3.23Å; T1096-A1100 PolarHBondContact O-N 3.48Å |
| 1097 | V | 90.7 | Very high | 87.6 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.9 | -33.7 | 174.8 | 67.4 | 0 | 0 | 0 | 0 | 113 | I1043 A1100 A1101 | I1043-V1097 HydrophobicContact CD1-CG2 3.86Å; I1043-V1097 WeakPolarHBondContact CD1-O 3.36Å; I1043-V1097 HydrophobicContact CG1-CG2 3.94Å; V1097-A1100 PolarHBondContact O-N 3.14Å; V1097-A1101 WeakPolarHBondContact O-CB 3.35Å; V1097-A1101 PolarHBondContact O-N 3.1Å |
| 1098 | Q | 88.6 | Confident | 87.2 | Confident | 115 Ų | 115 | 50.9 Ų | 50.9 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 176.7 | -175.4 | 60.9 | 54.9 | 0 | 0 | 111.4 | T1096 A1100 A1101 D1102 | T1096-Q1098 PolarHBondContact O-N 2.84Å; Q1098-A1100 VanDerWaalsContact C-N 3.26Å; Q1098-A1100 PolarHBondContact O-N 2.63Å; Q1098-A1101 CarbonylContact O-C 3.45Å; Q1098-A1101 WeakPolarHBondContact O-CB 3.26Å; Q1098-A1101 PolarHBondContact O-N 3.11Å; Q1098-A1101 VanDerWaalsContact O-N 3.11Å; Q1098-D1102 PolarHBondContact NE2-OD1 2.93Å; Q1098-D1102 PolarHBondContact O-N 2.84Å |
| 1099 | Q | 91.4 | Very high | 87 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 176.9 | -70.7 | 161.9 | -51.3 | 0 | 0 | 111.6 | I1095 T1096 D1102 V1103 | I1095-Q1099 HydrophobicContact CB-CB 4.11Å; I1095-Q1099 HydrophobicContact CD1-CB 4.09Å; I1095-Q1099 HydrophobicContact CG1-CB 4.4Å; T1096-Q1099 PolarHBondContact O-N 3.31Å; T1096-Q1099 VanDerWaalsContact O-N 3.12Å; T1096-Q1099 WeakPolarHBondContact OG1-CG 3.48Å; T1096-Q1099 PolarHBondContact OG1-N 3.45Å; T1096-Q1099 PolarHBondContact OG1-OE1 3.23Å; Q1099-D1102 PolarHBondContact O-N 2.79Å; Q1099-V1103 WeakPolarHBondContact O-CG2 3.28Å; Q1099-V1103 PolarHBondContact O-N 3.24Å |
| 1100 | A | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1043 I1061 L1092 I1095 T1096 V1097 Q1098 D1102 V1103 L1104 | I1043-A1100 HydrophobicContact CD1-CB 3.41Å; I1043-A1100 VanDerWaalsContact CD1-CB 3.41Å; I1061-A1100 HydrophobicContact CD1-CB 3.66Å; I1061-A1100 HydrophobicContact CG1-CB 3.89Å; I1061-A1100 HydrophobicContact CG2-CB 4.11Å; L1092-A1100 HydrophobicContact CD1-CB 4.27Å; I1095-A1100 HydrophobicContact CD1-CB 3.8Å; I1095-A1100 HydrophobicContact CG1-CB 4.26Å; T1096-A1100 PolarHBondContact O-N 3.48Å; V1097-A1100 PolarHBondContact O-N 3.14Å; Q1098-A1100 VanDerWaalsContact C-N 3.26Å; Q1098-A1100 PolarHBondContact O-N 2.63Å; A1100-D1102 PolarHBondContact O-N 2.85Å; A1100-V1103 PolarHBondContact O-N 2.66Å; A1100-L1104 WeakPolarHBondContact O-CD1 3.21Å; A1100-L1104 WeakPolarHBondContact O-CG 3.38Å; A1100-L1104 PolarHBondContact O-N 3.02Å |
| 1101 | A | 91.6 | Very high | 87.8 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1043 V1097 Q1098 V1103 L1104 N1105 | I1043-A1101 HydrophobicContact CD1-CB 4.35Å; V1097-A1101 WeakPolarHBondContact O-CB 3.35Å; V1097-A1101 PolarHBondContact O-N 3.1Å; Q1098-A1101 CarbonylContact O-C 3.45Å; Q1098-A1101 WeakPolarHBondContact O-CB 3.26Å; Q1098-A1101 PolarHBondContact O-N 3.11Å; Q1098-A1101 VanDerWaalsContact O-N 3.11Å; A1101-V1103 VanDerWaalsContact C-N 3.33Å; A1101-V1103 PolarHBondContact O-N 3.29Å; A1101-L1104 PolarHBondContact O-N 3.03Å; A1101-N1105 VanDerWaalsContact O-CB 3.3Å; A1101-N1105 WeakPolarHBondContact O-CB 3.43Å; A1101-N1105 PolarHBondContact O-N 2.99Å; A1101-N1105 PolarHBondContact O-ND2 2.89Å; A1101-N1105 VanDerWaalsContact O-ND2 3.09Å |
| 1102 | D | 90.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 176.7 | -60.6 | -25.4 | 0 | 0 | 0 | 111.8 | Q1098 Q1099 A1100 S1106 | Q1098-D1102 PolarHBondContact NE2-OD1 2.93Å; Q1098-D1102 PolarHBondContact O-N 2.84Å; Q1099-D1102 PolarHBondContact O-N 2.79Å; A1100-D1102 PolarHBondContact O-N 2.85Å; D1102-S1106 VanDerWaalsContact O-CB 3.26Å; D1102-S1106 WeakPolarHBondContact O-CB 3.27Å; D1102-S1106 PolarHBondContact O-N 3.33Å; D1102-S1106 PolarHBondContact O-OG 2.85Å |
| 1103 | V | 91.6 | Very high | 88.3 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 171.5 | 165 | 0 | 0 | 0 | 0 | 111.8 | V1087 K1090 L1092 Q1099 A1100 A1101 S1106 S1107 | V1087-V1103 HydrophobicContact CB-CG1 3.81Å; V1087-V1103 HydrophobicContact CG1-CG1 3.98Å; K1090-V1103 HydrophobicContact CB-CG1 4.23Å; K1090-V1103 HydrophobicContact CD-CB 4.36Å; K1090-V1103 HydrophobicContact CD-CG1 3.85Å; K1090-V1103 HydrophobicContact CD-CG2 3.71Å; L1092-V1103 HydrophobicContact CD2-CB 4.14Å; L1092-V1103 HydrophobicContact CD2-CG1 3.76Å; L1092-V1103 HydrophobicContact CD2-CG2 4.4Å; Q1099-V1103 WeakPolarHBondContact O-CG2 3.28Å; Q1099-V1103 PolarHBondContact O-N 3.24Å; A1100-V1103 PolarHBondContact O-N 2.66Å; A1101-V1103 VanDerWaalsContact C-N 3.33Å; A1101-V1103 PolarHBondContact O-N 3.29Å; V1103-S1106 PolarHBondContact O-N 3.47Å; V1103-S1106 PolarHBondContact O-OG 2.93Å; V1103-S1107 PolarHBondContact O-N 2.76Å |
| 1104 | L | 91.3 | Very high | 88.6 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177 | -72.1 | 159 | 0 | 0 | 0 | 111.8 | L1039 L1041 I1043 V1087 A1100 A1101 S1107 F1113 | L1039-L1104 HydrophobicContact CD2-CB 4.45Å; L1039-L1104 HydrophobicContact CD2-CD2 3.85Å; L1041-L1104 HydrophobicContact CD1-CD1 3.73Å; L1041-L1104 HydrophobicContact CD1-CD2 4.21Å; L1041-L1104 HydrophobicContact CD2-CD2 4.18Å; I1043-L1104 HydrophobicContact CD1-CD1 3.91Å; I1043-L1104 HydrophobicContact CG1-CD1 4.3Å; I1043-L1104 HydrophobicContact CG2-CD1 3.94Å; V1087-L1104 HydrophobicContact CG1-CD2 4.25Å; V1087-L1104 HydrophobicContact CG2-CD2 3.92Å; A1100-L1104 WeakPolarHBondContact O-CD1 3.21Å; A1100-L1104 WeakPolarHBondContact O-CG 3.38Å; A1100-L1104 PolarHBondContact O-N 3.02Å; A1101-L1104 PolarHBondContact O-N 3.03Å; L1104-S1107 VanDerWaalsContact O-CB 3.25Å; L1104-S1107 WeakPolarHBondContact O-CB 3.45Å; L1104-S1107 PolarHBondContact O-N 2.99Å; L1104-S1107 PolarHBondContact O-OG 3.28Å; L1104-F1113 HydrophobicContact CD2-CE1 3.84Å; L1104-F1113 HydrophobicContact CD2-CZ 4.27Å |
| 1105 | N | 87.5 | Confident | 89.3 | Confident | 127 Ų | 127 | 45.9 Ų | 45.9 | 68% | 0.679 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.9 | -34.1 | 177.5 | -70.9 | -32.3 | 0 | 0 | 0 | 112.4 | A1101 S1107 | A1101-N1105 VanDerWaalsContact O-CB 3.3Å; A1101-N1105 WeakPolarHBondContact O-CB 3.43Å; A1101-N1105 PolarHBondContact O-N 2.99Å; A1101-N1105 PolarHBondContact O-ND2 2.89Å; A1101-N1105 VanDerWaalsContact O-ND2 3.09Å; N1105-S1107 VanDerWaalsContact C-N 3.28Å; N1105-S1107 PolarHBondContact O-N 3.21Å |
| 1106 | S | 84.4 | Confident | 89.7 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 47% | 0.469 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | K1090 D1102 V1103 | K1090-S1106 PolarHBondContact NZ-OG 2.69Å; D1102-S1106 VanDerWaalsContact O-CB 3.26Å; D1102-S1106 WeakPolarHBondContact O-CB 3.27Å; D1102-S1106 PolarHBondContact O-N 3.33Å; D1102-S1106 PolarHBondContact O-OG 2.85Å; V1103-S1106 PolarHBondContact O-N 3.47Å; V1103-S1106 PolarHBondContact O-OG 2.93Å |
| 1107 | S | 82.6 | Confident | 89.6 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | trans | -69.3 | 152.5 | 172.9 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | R1033 V1103 L1104 N1105 V1111 | R1033-S1107 VanDerWaalsContact CZ-O 3.25Å; R1033-S1107 PolarHBondContact NH1-O 3.47Å; R1033-S1107 PolarHBondContact NH1-OG 3.06Å; R1033-S1107 PolarHBondContact NH2-O 2.79Å; V1103-S1107 PolarHBondContact O-N 2.76Å; L1104-S1107 VanDerWaalsContact O-CB 3.25Å; L1104-S1107 WeakPolarHBondContact O-CB 3.45Å; L1104-S1107 PolarHBondContact O-N 2.99Å; L1104-S1107 PolarHBondContact O-OG 3.28Å; N1105-S1107 VanDerWaalsContact C-N 3.28Å; N1105-S1107 PolarHBondContact O-N 3.21Å; S1107-V1111 WeakPolarHBondContact OG-CG2 3.14Å | ||
| 1108 | G | 83.4 | Confident | 89.4 | Confident | 36 Ų | 36 | 45 Ų | 45 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | trans | -82.9 | -168.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1033 H1110 V1111 | R1033-G1108 PolarHBondContact NH1-O 3.11Å; R1033-G1108 PolarHBondContact NH2-O 2.98Å; G1108-H1110 PolarHBondContact O-N 3.31Å; G1108-V1111 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1109 | S | 85.3 | Confident | 89.1 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -64.6 | -21.9 | 174.9 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | T1032 R1033 | T1032-S1109 CarbonylContact C-O 3.58Å; T1032-S1109 WeakPolarHBondContact CA-O 3.48Å; R1033-S1109 PolarHBondContact N-O 3.27Å |
| 1110 | H | 88.4 | Confident | 88.1 | Confident | 117 Ų | 117 | 39.3 Ų | 39.3 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.6 | 169.9 | -57.4 | 93.6 | 0 | 0 | 0 | 108.2 | T1030 T1032 N1088 G1108 | T1030-H1110 HydrophobicContact CG2-CB 4.16Å; T1032-H1110 PolarHBondContact OG1-CD2 3.46Å; T1032-H1110 VanDerWaalsContact OG1-CD2 3.32Å; N1088-H1110 PolarHBondContact ND2-O 3.26Å; N1088-H1110 VanDerWaalsContact ND2-O 3.15Å; G1108-H1110 PolarHBondContact O-N 3.31Å |
| 1111 | V | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 102 | -176.9 | -166.5 | 0 | 0 | 0 | 0 | 108.8 | T1030 V1031 L1039 V1087 N1088 S1107 G1108 F1113 | T1030-V1111 WeakPolarHBondContact CA-O 3.34Å; V1031-V1111 PolarHBondContact N-O 2.84Å; V1031-V1111 PolarHBondContact O-N 2.86Å; L1039-V1111 HydrophobicContact CD1-CB 4.08Å; L1039-V1111 HydrophobicContact CD1-CG1 4.36Å; L1039-V1111 HydrophobicContact CD1-CG2 3.8Å; L1039-V1111 HydrophobicContact CD2-CG1 4.21Å; L1039-V1111 HydrophobicContact CD2-CG2 4.45Å; V1087-V1111 HydrophobicContact CG1-CG1 3.84Å; N1088-V1111 WeakPolarHBondContact OD1-CA 3.29Å; S1107-V1111 WeakPolarHBondContact OG-CG2 3.14Å; G1108-V1111 WeakPolarHBondContact O-CG2 3.36Å; V1111-F1113 HydrophobicContact CB-CD2 4.48Å; V1111-F1113 HydrophobicContact CB-CE2 3.83Å; V1111-F1113 HydrophobicContact CB-CZ 4.38Å; V1111-F1113 HydrophobicContact CG1-CD2 4.1Å; V1111-F1113 HydrophobicContact CG1-CE1 4.33Å; V1111-F1113 HydrophobicContact CG1-CE2 3.48Å; V1111-F1113 VanDerWaalsContact CG1-CE2 3.48Å; V1111-F1113 HydrophobicContact CG1-CZ 3.63Å; V1111-F1113 VanDerWaalsContact O-CD2 3.24Å; V1111-F1113 WeakPolarHBondContact O-CD2 3.38Å |
| 1112 | H | 92.4 | Very high | 84.9 | Confident | 41 Ų | 41 | 42 Ų | 42 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.9 | 179 | -168.9 | -58.2 | 0 | 0 | 0 | 109 | T917 D1028 T1030 V1087 N1088 | T917-H1112 VanDerWaalsContact CG2-NE2 3.3Å; T917-H1112 WeakPolarHBondContact CG2-NE2 3.24Å; D1028-H1112 VanDerWaalsContact CG-CE1 3.48Å; D1028-H1112 IonicContact OD1-CE1 3.73Å; D1028-H1112 PolarHBondContact OD1-CE1 3.27Å; D1028-H1112 IonicContact OD1-ND1 2.72Å; D1028-H1112 PolarHBondContact OD1-ND1 2.81Å; D1028-H1112 IonicContact OD1-NE2 2.84Å; D1028-H1112 IonicContact OD2-CE1 2.97Å; D1028-H1112 PolarHBondContact OD2-CE1 3.25Å; D1028-H1112 IonicContact OD2-NE2 2.72Å; T1030-H1112 PolarHBondContact OG1-CD2 2.9Å; V1087-H1112 CarbonylContact C-O 3.59Å; V1087-H1112 WeakPolarHBondContact CA-O 3.27Å; N1088-H1112 PolarHBondContact N-O 3.19Å; N1088-H1112 WeakPolarHBondContact OD1-CB 3.36Å; N1088-H1112 PolarHBondContact OD1-N 3.28Å |
| 1113 | F | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.6 | -179.7 | -66.3 | -95.1 | 0 | 0 | 0 | 110.2 | L1029 V1031 L1039 L1041 L1078 I1084 E1086 V1087 L1104 V1111 V1115 | L1029-F1113 HydrophobicContact CD1-CB 4.02Å; L1029-F1113 HydrophobicContact CD1-CD2 3.98Å; L1029-F1113 HydrophobicContact CD1-CG 4.35Å; L1029-F1113 HydrophobicContact CG-CB 4.22Å; L1029-F1113 PolarHBondContact N-O 3.32Å; L1029-F1113 PolarHBondContact O-N 3.23Å; V1031-F1113 HydrophobicContact CB-CD2 4.47Å; V1031-F1113 HydrophobicContact CB-CE2 4.01Å; V1031-F1113 HydrophobicContact CG2-CD2 3.95Å; V1031-F1113 HydrophobicContact CG2-CE2 3.73Å; L1039-F1113 HydrophobicContact CD1-CE2 4.4Å; L1039-F1113 HydrophobicContact CD1-CZ 4.25Å; L1039-F1113 HydrophobicContact CD2-CZ 4.11Å; L1041-F1113 HydrophobicContact CD2-CE1 3.66Å; L1041-F1113 HydrophobicContact CD2-CZ 3.64Å; L1078-F1113 HydrophobicContact CD1-CD1 4.34Å; L1078-F1113 HydrophobicContact CD1-CD2 4.07Å; L1078-F1113 HydrophobicContact CD1-CE1 4.26Å; L1078-F1113 HydrophobicContact CD1-CE2 3.98Å; L1078-F1113 HydrophobicContact CD1-CG 4.24Å; L1078-F1113 HydrophobicContact CD1-CZ 4.07Å; I1084-F1113 HydrophobicContact CD1-CE1 4.31Å; I1084-F1113 HydrophobicContact CG2-CD1 4.12Å; E1086-F1113 WeakPolarHBondContact O-CA 3.45Å; V1087-F1113 HydrophobicContact CG2-CD1 3.82Å; V1087-F1113 HydrophobicContact CG2-CE1 3.98Å; L1104-F1113 HydrophobicContact CD2-CE1 3.84Å; L1104-F1113 HydrophobicContact CD2-CZ 4.27Å; V1111-F1113 HydrophobicContact CB-CD2 4.48Å; V1111-F1113 HydrophobicContact CB-CE2 3.83Å; V1111-F1113 HydrophobicContact CB-CZ 4.38Å; V1111-F1113 HydrophobicContact CG1-CD2 4.1Å; V1111-F1113 HydrophobicContact CG1-CE1 4.33Å; V1111-F1113 HydrophobicContact CG1-CE2 3.48Å; V1111-F1113 VanDerWaalsContact CG1-CE2 3.48Å; V1111-F1113 HydrophobicContact CG1-CZ 3.63Å; V1111-F1113 VanDerWaalsContact O-CD2 3.24Å; V1111-F1113 WeakPolarHBondContact O-CD2 3.38Å; F1113-V1115 HydrophobicContact CB-CG1 4.04Å |
| 1114 | L | 91.8 | Very high | 81.5 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.9 | 156.2 | -175 | 70.6 | 0 | 0 | 0 | 107.3 | L982 L1026 D1028 I1085 E1086 | L982-L1114 HydrophobicContact CD1-CD2 3.48Å; L982-L1114 VanDerWaalsContact CD1-CD2 3.48Å; L1026-L1114 HydrophobicContact CD1-CD1 3.97Å; L1026-L1114 HydrophobicContact CD1-CD2 4.38Å; L1026-L1114 HydrophobicContact CD1-CG 4.09Å; L1026-L1114 HydrophobicContact CG-CD1 4.18Å; D1028-L1114 HydrophobicContact CB-CD1 4.29Å; I1085-L1114 WeakPolarHBondContact CA-O 3.31Å; I1085-L1114 HydrophobicContact CB-CD2 4.21Å; I1085-L1114 HydrophobicContact CB-CG 4.31Å; I1085-L1114 HydrophobicContact CG2-CD2 4.03Å; I1085-L1114 PolarHBondContact N-O 3.28Å; E1086-L1114 HydrophobicContact CB-CB 3.98Å; E1086-L1114 HydrophobicContact CG-CB 4.38Å; E1086-L1114 HydrophobicContact CG-CD2 4.32Å; E1086-L1114 PolarHBondContact N-O 3.45Å; E1086-L1114 VanDerWaalsContact N-O 3.12Å; E1086-L1114 PolarHBondContact O-N 2.88Å |
| 1115 | V | 93.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 160.4 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | L1026 R1027 L1029 L1078 R1083 I1084 F1113 | L1026-V1115 CarbonylContact C-O 3.25Å; L1026-V1115 VanDerWaalsContact CA-O 3.29Å; L1026-V1115 WeakPolarHBondContact CA-O 3.41Å; R1027-V1115 HydrophobicContact CB-CG2 3.88Å; R1027-V1115 PolarHBondContact N-O 3.4Å; R1027-V1115 PolarHBondContact O-N 2.94Å; L1029-V1115 HydrophobicContact CD2-CG2 4.06Å; L1078-V1115 HydrophobicContact CD2-CB 4.35Å; L1078-V1115 HydrophobicContact CD2-CG1 3.59Å; L1078-V1115 HydrophobicContact CD2-CG2 3.96Å; R1083-V1115 CarbonylContact O-C 3.29Å; R1083-V1115 WeakPolarHBondContact O-CA 3.46Å; R1083-V1115 VanDerWaalsContact O-CB 3.28Å; R1083-V1115 WeakPolarHBondContact O-CB 3.43Å; I1084-V1115 HydrophobicContact CG1-CG1 4.38Å; F1113-V1115 HydrophobicContact CB-CG1 4.04Å |
| 1116 | C | 91.3 | Very high | 77.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 172.9 | 163.9 | 75.3 | 0 | 0 | 0 | 0 | 110.4 | P1023 S1024 L1026 R1083 I1085 G1118 | P1023-C1116 HydrophobicContact CB-CB 3.78Å; S1024-C1116 WeakPolarHBondContact O-CB 3.48Å; L1026-C1116 HydrophobicContact CB-CB 4.48Å; L1026-C1116 HydrophobicContact CD1-CB 4.09Å; R1083-C1116 PolarHBondContact N-O 3.3Å; R1083-C1116 PolarHBondContact O-N 3.47Å; I1085-C1116 HydrophobicContact CD1-CB 3.97Å; C1116-G1118 PolarHBondContact O-N 2.89Å |
| 1117 | D | 88 | Confident | 75.6 | Confident | 81 Ų | 81 | 31.8 Ų | 31.8 | 43% | 0.433 | 19% | 0.193 | S | C | . | . | trans | -60.1 | 136 | 171.4 | -57.2 | -23.5 | 0 | 0 | 0 | 109.3 | S1024 G1025 R1027 | S1024-D1117 WeakPolarHBondContact O-CB 3.41Å; S1024-D1117 PolarHBondContact O-N 3.17Å; G1025-D1117 WeakPolarHBondContact CA-OD1 3.43Å; G1025-D1117 WeakPolarHBondContact CA-OD2 3.49Å; G1025-D1117 PolarHBondContact N-OD2 3.42Å; R1027-D1117 IonicContact NH2-OD1 2.72Å; R1027-D1117 PolarHBondContact NH2-OD1 3.07Å | ||
| 1118 | G | 85.7 | Confident | 73.7 | Confident | 30 Ų | 30 | 33 Ų | 33 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | -124.8 | -123.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1081 C1116 | G1081-G1118 CarbonylContact O-C 3.58Å; G1081-G1118 VanDerWaalsContact O-CA 3.25Å; G1081-G1118 WeakPolarHBondContact O-CA 3.43Å; C1116-G1118 PolarHBondContact O-N 2.89Å | ||
| 1119 | I | 82 | Confident | 71.5 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -78.2 | 133.3 | 173.6 | -63.8 | 161.5 | 0 | 0 | 0 | 107 | V1051 H1052 P1053 F1062 G1081 C1123 F1124 L1127 | V1051-I1119 HydrophobicContact CG2-CD1 3.85Å; H1052-I1119 HydrophobicContact CB-CD1 4.32Å; H1052-I1119 HydrophobicContact CB-CG1 4.47Å; P1053-I1119 HydrophobicContact CG-CG2 4.35Å; F1062-I1119 HydrophobicContact CD1-CB 4.47Å; F1062-I1119 HydrophobicContact CD1-CD1 3.92Å; F1062-I1119 HydrophobicContact CD1-CG1 3.96Å; F1062-I1119 HydrophobicContact CD2-CD1 3.83Å; F1062-I1119 HydrophobicContact CE1-CD1 3.99Å; F1062-I1119 HydrophobicContact CE1-CG1 3.79Å; F1062-I1119 HydrophobicContact CE2-CD1 3.91Å; F1062-I1119 HydrophobicContact CG-CD1 3.83Å; F1062-I1119 HydrophobicContact CG-CG1 4.38Å; F1062-I1119 HydrophobicContact CZ-CD1 3.98Å; F1062-I1119 HydrophobicContact CZ-CG1 4.08Å; G1081-I1119 CarbonylContact C-O 3.16Å; G1081-I1119 WeakPolarHBondContact CA-O 3.29Å; G1081-I1119 PolarHBondContact O-N 3.03Å; I1119-C1123 HydrophobicContact CG2-CB 3.87Å; I1119-F1124 HydrophobicContact CB-CD2 4.05Å; I1119-F1124 HydrophobicContact CD1-CD2 3.96Å; I1119-F1124 HydrophobicContact CD1-CE2 3.94Å; I1119-F1124 HydrophobicContact CG2-CB 4.21Å; I1119-F1124 HydrophobicContact CG2-CD2 3.98Å; I1119-L1127 HydrophobicContact CG2-CD1 4.16Å |
| 1120 | N | 71.4 | Confident | 69.2 | Low | 85 Ų | 85 | 32.1 Ų | 32.1 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | trans | -56.2 | 127.8 | 172 | -179.9 | -20.5 | 0 | 0 | 0 | 108.9 | V1122 C1123 F1124 | N1120-V1122 PolarHBondContact O-N 2.76Å; N1120-V1122 VanDerWaalsContact OD1-CB 3.32Å; N1120-V1122 WeakPolarHBondContact OD1-CB 3.27Å; N1120-V1122 WeakPolarHBondContact OD1-CG2 3.37Å; N1120-V1122 PolarHBondContact OD1-N 2.97Å; N1120-C1123 WeakPolarHBondContact O-CB 3.47Å; N1120-C1123 PolarHBondContact O-N 2.85Å; N1120-F1124 PolarHBondContact O-N 2.81Å | ||
| 1121 | P | 60.9 | Low | 66.7 | Low | 58 Ų | 58 | 29.3 Ų | 29.3 | 38% | 0.377 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -47.2 | -35.6 | 178.6 | 12 | -27.4 | 0 | 0 | 0 | 113 | R63 V1080 C1123 F1124 | R63-P1121 PolarHBondContact NH1-O 3.44Å; V1080-P1121 HydrophobicContact CB-CB 4.38Å; V1080-P1121 HydrophobicContact CG1-CB 4.47Å; V1080-P1121 WeakPolarHBondContact O-CB 3.45Å; P1121-C1123 PolarHBondContact O-N 2.9Å; P1121-F1124 WeakPolarHBondContact O-CB 3.34Å; P1121-F1124 PolarHBondContact O-N 3.46Å |
| 1122 | V | 55.2 | Low | 63.8 | Low | 23 Ų | 23 | 32.9 Ų | 32.9 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | R63 E86 Y109 N1120 F1124 | R63-V1122 VanDerWaalsContact CZ-O 3.26Å; R63-V1122 PolarHBondContact NH1-O 3.31Å; R63-V1122 PolarHBondContact NH2-O 3Å; E86-V1122 VanDerWaalsContact OE2-CA 3.25Å; E86-V1122 WeakPolarHBondContact OE2-CA 3.43Å; E86-V1122 WeakPolarHBondContact OE2-CG1 3.47Å; E86-V1122 VanDerWaalsContact OE2-O 3.1Å; Y109-V1122 HydrophobicContact CD2-CG1 3.21Å; Y109-V1122 HydrophobicContact CE2-CG1 4.03Å; Y109-V1122 HydrophobicContact CG-CG1 3.71Å; N1120-V1122 PolarHBondContact O-N 2.76Å; N1120-V1122 VanDerWaalsContact OD1-CB 3.32Å; N1120-V1122 WeakPolarHBondContact OD1-CB 3.27Å; N1120-V1122 WeakPolarHBondContact OD1-CG2 3.37Å; N1120-V1122 PolarHBondContact OD1-N 2.97Å; V1122-F1124 VanDerWaalsContact C-N 3.29Å; V1122-F1124 PolarHBondContact O-N 2.77Å |
| 1123 | C | 56.6 | Low | 60.8 | Low | 26 Ų | 26 | 33.6 Ų | 33.6 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.9 | -25.9 | 174 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | P1053 I1119 N1120 P1121 L1127 | P1053-C1123 HydrophobicContact CG-CB 4.09Å; I1119-C1123 HydrophobicContact CG2-CB 3.87Å; N1120-C1123 WeakPolarHBondContact O-CB 3.47Å; N1120-C1123 PolarHBondContact O-N 2.85Å; P1121-C1123 PolarHBondContact O-N 2.9Å; C1123-L1127 WeakPolarHBondContact O-CD1 3.41Å; C1123-L1127 PolarHBondContact O-N 3.36Å |
| 1124 | F | 55.3 | Low | 57.7 | Low | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -52.9 | -164.5 | -160.8 | -74.6 | 0 | 0 | 0 | 114 | A1044 V1051 F1062 S1064 V1080 I1119 N1120 P1121 V1122 S1126 L1127 Q1128 | A1044-F1124 HydrophobicContact CB-CZ 4.11Å; V1051-F1124 HydrophobicContact CG2-CE2 4.12Å; V1051-F1124 HydrophobicContact CG2-CZ 4.39Å; F1062-F1124 HydrophobicContact CB-CE2 3.87Å; S1064-F1124 VanDerWaalsContact CB-CZ 3.46Å; V1080-F1124 HydrophobicContact CG1-CB 4.43Å; V1080-F1124 HydrophobicContact CG1-CD1 4.44Å; V1080-F1124 HydrophobicContact CG1-CG 4.4Å; I1119-F1124 HydrophobicContact CB-CD2 4.05Å; I1119-F1124 HydrophobicContact CD1-CD2 3.96Å; I1119-F1124 HydrophobicContact CD1-CE2 3.94Å; I1119-F1124 HydrophobicContact CG2-CB 4.21Å; I1119-F1124 HydrophobicContact CG2-CD2 3.98Å; N1120-F1124 PolarHBondContact O-N 2.81Å; P1121-F1124 WeakPolarHBondContact O-CB 3.34Å; P1121-F1124 PolarHBondContact O-N 3.46Å; V1122-F1124 VanDerWaalsContact C-N 3.29Å; V1122-F1124 PolarHBondContact O-N 2.77Å; F1124-S1126 PolarHBondContact O-N 3.29Å; F1124-L1127 WeakPolarHBondContact O-CB 3.14Å; F1124-L1127 PolarHBondContact O-N 3.43Å; F1124-L1127 VanDerWaalsContact O-N 3.09Å; F1124-Q1128 HydrophobicContact CE1-CB 4.49Å; F1124-Q1128 PolarHBondContact O-N 2.82Å |
| 1125 | S | 45.8 | Very low | 54.6 | Low | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.3 | -16.8 | -173.2 | -31 | 0 | 0 | 0 | 0 | 113.5 | R20 R63 N1129 | R20-S1125 PolarHBondContact NH1-O 2.82Å; R63-S1125 VanDerWaalsContact CZ-CB 3.48Å; R63-S1125 PolarHBondContact NH1-OG 3.03Å; S1125-N1129 VanDerWaalsContact O-CG 3.31Å; S1125-N1129 PolarHBondContact O-ND2 3.31Å; S1125-N1129 PolarHBondContact O-OD1 2.84Å |
| 1126 | S | 44.8 | Very low | 51.4 | Low | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.9 | -30.2 | 168 | -69.9 | 0 | 0 | 0 | 0 | 112.9 | R63 D88 F1124 Q1128 N1129 | R63-S1126 PolarHBondContact NH2-OG 2.82Å; D88-S1126 PolarHBondContact OD2-OG 2.93Å; F1124-S1126 PolarHBondContact O-N 3.29Å; S1126-Q1128 VanDerWaalsContact C-N 3.34Å; S1126-N1129 VanDerWaalsContact O-CB 3.32Å; S1126-N1129 WeakPolarHBondContact O-CB 3.35Å; S1126-N1129 PolarHBondContact O-N 2.81Å |
| 1127 | L | 46.9 | Very low | 48.3 | Very low | 39 Ų | 39 | 58.1 Ų | 58.1 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 170.5 | -82.8 | 156.5 | 0 | 0 | 0 | 112.6 | V1051 P1053 I1119 C1123 F1124 N1129 L1130 A1131 | V1051-L1127 WeakPolarHBondContact O-CD1 3.37Å; P1053-L1127 HydrophobicContact CB-CD1 3.76Å; P1053-L1127 HydrophobicContact CB-CD2 3.95Å; P1053-L1127 HydrophobicContact CB-CG 4.11Å; P1053-L1127 HydrophobicContact CG-CD1 3.84Å; I1119-L1127 HydrophobicContact CG2-CD1 4.16Å; C1123-L1127 WeakPolarHBondContact O-CD1 3.41Å; C1123-L1127 PolarHBondContact O-N 3.36Å; F1124-L1127 WeakPolarHBondContact O-CB 3.14Å; F1124-L1127 PolarHBondContact O-N 3.43Å; F1124-L1127 VanDerWaalsContact O-N 3.09Å; L1127-N1129 PolarHBondContact O-N 2.83Å; L1127-N1129 VanDerWaalsContact O-N 3.09Å; L1127-L1130 PolarHBondContact O-N 2.8Å; L1127-A1131 PolarHBondContact O-N 3.42Å |
| 1128 | Q | 44.4 | Very low | 45.3 | Very low | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -17.2 | -179.3 | -154.4 | -175 | 40.5 | 0 | 0 | 111.1 | R20 F1124 S1126 | R20-Q1128 WeakPolarHBondContact CD-O 3.49Å; R20-Q1128 PolarHBondContact NE-O 3.17Å; R20-Q1128 VanDerWaalsContact NH1-CB 3.28Å; R20-Q1128 VanDerWaalsContact NH2-CG 3.31Å; F1124-Q1128 HydrophobicContact CE1-CB 4.49Å; F1124-Q1128 PolarHBondContact O-N 2.82Å; S1126-Q1128 VanDerWaalsContact C-N 3.34Å |
| 1129 | N | 37.4 | Very low | 42.6 | Very low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79.6 | -37.9 | 170.3 | -54.3 | -21.3 | 0 | 0 | 0 | 114.2 | R20 Q21 D44 A65 S1125 S1126 L1127 | R20-N1129 VanDerWaalsContact CD-OD1 3.22Å; R20-N1129 WeakPolarHBondContact CD-OD1 3.05Å; R20-N1129 PolarHBondContact NH1-OD1 3.21Å; Q21-N1129 PolarHBondContact NE2-O 3.35Å; D44-N1129 HydrophobicContact CB-CB 3.65Å; D44-N1129 PolarHBondContact OD1-ND2 3.14Å; D44-N1129 PolarHBondContact OD2-ND2 3.34Å; D44-N1129 PolarHBondContact OD2-OD1 2.93Å; A65-N1129 WeakPolarHBondContact CB-ND2 3.18Å; S1125-N1129 VanDerWaalsContact O-CG 3.31Å; S1125-N1129 PolarHBondContact O-ND2 3.31Å; S1125-N1129 PolarHBondContact O-OD1 2.84Å; S1126-N1129 VanDerWaalsContact O-CB 3.32Å; S1126-N1129 WeakPolarHBondContact O-CB 3.35Å; S1126-N1129 PolarHBondContact O-N 2.81Å; L1127-N1129 PolarHBondContact O-N 2.83Å; L1127-N1129 VanDerWaalsContact O-N 3.09Å |
| 1130 | L | 35.8 | Very low | 39.9 | Very low | 85 Ų | 85 | 69.5 Ų | 69.5 | 45% | 0.445 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -79.7 | -27.3 | 179.2 | -89.1 | 65.2 | 0 | 0 | 0 | 112.9 | L1127 T1132 L1133 | L1127-L1130 PolarHBondContact O-N 2.8Å; L1130-T1132 PolarHBondContact O-N 3.19Å; L1130-L1133 PolarHBondContact O-N 2.82Å |
| 1131 | A | 35.4 | Very low | 37.8 | Very low | 57 Ų | 57 | 71.5 Ų | 71.5 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.2 | -47.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1127 L1133 R1134 | L1127-A1131 PolarHBondContact O-N 3.42Å; A1131-L1133 PolarHBondContact O-N 2.79Å; A1131-R1134 PolarHBondContact O-N 2.97Å |
| 1132 | T | 32 | Very low | 36.3 | Very low | 75 Ų | 75 | 73 Ų | 73 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -67.5 | -21 | -175.8 | -44.7 | 0 | 0 | 0 | 0 | 112.9 | Q21 L1130 R1134 | Q21-T1132 HydrophobicContact CB-CG2 4.18Å; Q21-T1132 HydrophobicContact CG-CG2 4.49Å; Q21-T1132 PolarHBondContact OE1-O 3.19Å; L1130-T1132 PolarHBondContact O-N 3.19Å; T1132-R1134 PolarHBondContact O-N 2.86Å |
| 1133 | L | 28.6 | Very low | 34.9 | Very low | 56 Ų | 56 | 78.1 Ų | 78.1 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -79.4 | -12.9 | -177.6 | -119.7 | 173.1 | 0 | 0 | 0 | 113.8 | S45 L1130 A1131 S1135 W1359 | S45-L1133 WeakPolarHBondContact OG-CD1 3.21Å; L1130-L1133 PolarHBondContact O-N 2.82Å; A1131-L1133 PolarHBondContact O-N 2.79Å; L1133-S1135 PolarHBondContact O-N 3.11Å; L1133-W1359 HydrophobicContact CD2-CH2 3.58Å; L1133-W1359 HydrophobicContact CD2-CZ3 4.06Å |
| 1134 | R | 29.3 | Very low | 33.6 | Very low | 210 Ų | 210 | 82.6 Ų | 82.6 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -74.4 | -2.1 | -175.6 | -70.8 | -171 | 173.4 | -175.7 | 0 | 114.9 | A1131 T1132 C1136 | A1131-R1134 PolarHBondContact O-N 2.97Å; T1132-R1134 PolarHBondContact O-N 2.86Å; R1134-C1136 VanDerWaalsContact C-N 3.3Å; R1134-C1136 PolarHBondContact O-N 2.96Å; R1134-C1136 VanDerWaalsContact O-N 3.13Å |
| 1135 | S | 26.8 | Very low | 32.2 | Very low | 95 Ų | 95 | 91 Ų | 91 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | trans | -87.2 | 60 | 175 | -164.4 | 0 | 0 | 0 | 0 | 113 | L1133 | L1133-S1135 PolarHBondContact O-N 3.11Š| ||
| 1136 | C | 25 | Very low | 31.4 | Very low | 60 Ų | 60 | 99 Ų | 99 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | trans | -147.5 | 97.7 | 175.9 | -98.1 | 0 | 0 | 0 | 0 | 112 | R1134 W1359 R1363 | R1134-C1136 VanDerWaalsContact C-N 3.3Å; R1134-C1136 PolarHBondContact O-N 2.96Å; R1134-C1136 VanDerWaalsContact O-N 3.13Å; C1136-W1359 HydrophobicContact CB-CZ2 4.11Å; C1136-W1359 VanDerWaalsContact SG-CZ2 3.59Å; C1136-R1363 PolarHBondContact SG-NH1 3.03Å | ||
| 1137 | N | 26.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 102.3 Ų | 102.3 | 95% | 0.947 | 60% | 0.6 | S | S | * | * | trans | -68.1 | 145.6 | 176.6 | -72.3 | -53.9 | 0 | 0 | 0 | 113.3 | ||||
| 1138 | G | 25.9 | Very low | 29.8 | Very low | 70 Ų | 70 | 110.5 Ų | 110.5 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | trans | 114.2 | 93.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1139 | S | 28.7 | Very low | 29 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | -170.9 | 119.1 | 100.4 | 28.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1140 | E | 25.1 | Very low | 28.5 | Very low | 182 Ų | 182 | 119.7 Ų | 119.7 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.7 | 157.6 | -62.4 | 169.8 | 117.4 | 0 | 0 | 109.7 | ||
| 1141 | P | 28.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 125.9 | 157.6 | 31 | -30.5 | 0 | 0 | 0 | 109.2 | ||
| 1142 | S | 28.2 | Very low | 28 | Very low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60 | 143 | -175 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1143 | P | 26.1 | Very low | 28 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136.6 | 158.5 | 31.5 | -33.1 | 0 | 0 | 0 | 109.4 | ||
| 1144 | V | 29 | Very low | 28.1 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -137.6 | 134.7 | 171 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1145 | E | 26.8 | Very low | 28.3 | Very low | 179 Ų | 179 | 121.8 Ų | 121.8 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -67.9 | 142 | -170.2 | -59.3 | 141 | 120.6 | 0 | 0 | 112.9 | ||||
| 1146 | I | 27.8 | Very low | 28.4 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -96.9 | 96 | 161.7 | -61 | 179.7 | 0 | 0 | 0 | 107.5 | ||||
| 1147 | A | 29.8 | Very low | 28.7 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 113.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1148 | K | 28.2 | Very low | 28.9 | Very low | 211 Ų | 211 | 125.3 Ų | 125.3 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | 42.5 | 131.4 | 146.7 | -56.5 | -179.8 | -179.6 | -179.4 | 0 | 120.6 | ||||
| 1149 | G | 27.4 | Very low | 29.1 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 129.2 | 109.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1150 | D | 28.7 | Very low | 29 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 49.7 | 157.4 | 137.5 | -62.6 | -8.1 | 0 | 0 | 0 | 122.9 | ||||
| 1151 | V | 29.5 | Very low | 29.2 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | cis | -173.8 | 144.2 | -44.4 | 127.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1152 | G | 30.2 | Very low | 29.2 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 109.5 | 145.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1153 | S | 32.4 | Very low | 29.2 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | cis | -151.9 | 138.3 | -3.7 | -165.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1154 | S | 30.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 40.7 | 120 | 142.5 | -50.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1155 | A | 33.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | -137.8 | 130.3 | 108 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1156 | K | 29.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.635 | 77% | 0.772 | S | S | * | * | trans | -118.1 | 135.9 | -177.2 | -73.5 | -179 | 179.7 | 174.5 | 0 | 111.7 | ||||
| 1157 | S | 31.5 | Very low | 29.7 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -162.3 | 128.4 | 125.1 | -151.5 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1158 | Q | 29.7 | Very low | 29.6 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | 61 | 132.4 | 60.9 | -95.9 | 178.1 | -25.4 | 0 | 0 | 112.9 | |||||
| 1159 | V | 30.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 118 Ų | 118 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -136.8 | 167.7 | 13.9 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1160 | N | 26.7 | Very low | 30.1 | Very low | 152 Ų | 152 | 120.3 Ų | 120.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -57 | -177.3 | 165.3 | -48.5 | -34.3 | 0 | 0 | 0 | 112.9 | ||||
| 1161 | A | 28.1 | Very low | 30 | Very low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | cis | -163.5 | 176.1 | 22 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1162 | S | 28.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 60.3 | 93.2 | 145 | 57.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1163 | S | 28.6 | Very low | 30.2 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | -15.2 | 156.1 | 117.5 | 53 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1164 | P | 32.5 | Very low | 30.3 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | -152.2 | 178.9 | 50.2 | 44 | -22.6 | 0 | 0 | 0 | 120.8 | |||||
| 1165 | S | 28.4 | Very low | 30.2 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -17.3 | 142.4 | 166.3 | 56.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1166 | S | 28.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | -168.6 | 167.4 | 112.4 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1167 | G | 29.9 | Very low | 30.3 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -158.2 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1168 | S | 29.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -172.7 | 121.6 | 171.1 | 31.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1169 | Y | 31.1 | Very low | 30 | Very low | 222 Ų | 222 | 134.9 Ų | 134.9 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | 55.9 | -179.4 | 133.2 | -59.2 | -62 | 0 | 0 | 0 | 120.5 | ||||
| 1170 | P | 34 | Very low | 30.1 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -135.4 | -177.5 | -70.5 | 42.5 | -28.1 | 0 | 0 | 0 | 116.2 | |||||
| 1171 | S | 27.2 | Very low | 30 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -48.9 | 154.3 | 177.1 | -44.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1172 | K | 32.2 | Very low | 30.3 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -136.3 | 149.8 | 148.2 | -76.6 | -166.9 | 176.2 | 179 | 0 | 112.2 | ||||
| 1173 | I | 30.7 | Very low | 30.5 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -103.2 | 170 | -175.3 | -25 | 178.6 | 0 | 0 | 0 | 110 | ||||
| 1174 | P | 35 | Very low | 30.6 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -143.7 | -178.4 | 107.2 | 36.3 | -19.9 | 0 | 0 | 0 | 116.1 | |||||
| 1175 | R | 28.7 | Very low | 30.6 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -112.5 | -175.7 | -164.9 | -59.1 | 169.2 | 168 | 164.7 | -8 | 113.8 | ||||
| 1176 | K | 31.5 | Very low | 31 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | 90.7 | 153.1 | 168.1 | -53.1 | -176.9 | 175.3 | -175.9 | 0 | 114.2 | ||||
| 1177 | V | 32.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -134.7 | 161.1 | 19.8 | -172.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1178 | L | 31.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -51.4 | 146.8 | 165.7 | -85.2 | 68.1 | 0 | 0 | 0 | 113.1 | ||||
| 1179 | S | 25.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | 81.3 | 117.6 | 57.7 | 93 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1180 | T | 31.2 | Very low | 31.9 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | trans | -166.1 | 155.9 | 155.4 | 23.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1181 | S | 25.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -126.8 | 154.3 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1182 | M | 34 | Very low | 32.1 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -148.9 | 134 | 149.7 | -73.4 | -154.6 | 168.3 | 0 | 0 | 107 | ||||
| 1183 | H | 32.7 | Very low | 32.1 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | 51.3 | 134.8 | 88.9 | -65.5 | -87.5 | 0 | 0 | 0 | 113 | |||||
| 1184 | E | 31.1 | Very low | 32.5 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | cis | -151.4 | -171.4 | 35.7 | -147.1 | 157.1 | -146 | 0 | 0 | 114.8 | ||||
| 1185 | E | 31.8 | Very low | 32.2 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -95.1 | -161.7 | -169.8 | -119 | -156.8 | 126.8 | 0 | 0 | 112.9 | ||||
| 1186 | P | 37.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -131 | -170 | 1.4 | 28 | -2.2 | 0 | 0 | 0 | 116.4 | ||||
| 1187 | S | 30.3 | Very low | 32.4 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -102.7 | 174.3 | -172.2 | 59.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1188 | A | 35.7 | Very low | 32.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 157 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1189 | K | 33.7 | Very low | 32.6 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -152.2 | -179 | -165 | -104.7 | -173.2 | 178.3 | -173 | 0 | 109.1 | ||||
| 1190 | P | 37.8 | Very low | 33 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 80% | 0.802 | S | S | * | * | cis | -136.2 | -172 | -30.3 | 38.5 | -19.2 | 0 | 0 | 0 | 113.9 | ||||
| 1191 | E | 29.3 | Very low | 33.2 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 25.3 | 144.1 | 142.3 | -63.8 | 163 | 126.6 | 0 | 0 | 124.1 | ||||
| 1192 | I | 36.2 | Very low | 33.7 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -176.9 | 162.2 | 120.3 | -92.6 | 163 | 0 | 0 | 0 | 111.9 | |||||
| 1193 | N | 32.9 | Very low | 33.8 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -95.2 | -154.1 | -169 | -65.1 | -59.5 | 0 | 0 | 0 | 113.8 | ||||
| 1194 | P | 38.1 | Very low | 33.8 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -128.8 | -178.5 | -81.7 | 40.1 | -24.8 | 0 | 0 | 0 | 115.3 | |||||
| 1195 | A | 29.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | 47.6 | 125.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1196 | G | 32.1 | Very low | 33.9 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -164.9 | 156.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1197 | S | 31.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -142.5 | -177 | -168.7 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1198 | T | 34.8 | Very low | 33.9 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 76.8 | 155 | 174.5 | 83.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1199 | S | 33.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -171.9 | 159 | -29.5 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1200 | G | 34.4 | Very low | 33.6 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 123.5 | 142.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1201 | D | 35.1 | Very low | 33.2 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | cis | -149.1 | 172.8 | -0.8 | -112.3 | -32.8 | 0 | 0 | 0 | 114.5 | ||||
| 1202 | T | 35.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -77.4 | 152.3 | -159.2 | 59.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1203 | A | 35.2 | Very low | 33.3 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | -159 | 143.7 | 129.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1204 | N | 32.6 | Very low | 34.2 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -129 | 154.6 | -173.3 | -104.8 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 1205 | V | 33.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 172.1 | 109 | 148.8 | 147.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1206 | M | 33.1 | Very low | 34.5 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | 63.2 | 133.6 | 83.9 | -68.8 | -178 | -177.3 | 0 | 0 | 113.7 | |||||
| 1207 | T | 35 | Very low | 34.6 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | cis | -153.6 | 166 | 15.3 | 25.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1208 | R | 32.7 | Very low | 34.9 | Very low | 230 Ų | 230 | 132.8 Ų | 132.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -42 | 142.3 | 175.6 | -75.6 | 175.3 | 170.3 | 174.3 | -4.8 | 122.6 | ||||
| 1209 | S | 29.5 | Very low | 34.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | 71.3 | 152.9 | 120.2 | -54.7 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1210 | A | 32.9 | Very low | 35 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | 75.4 | 153.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1211 | E | 29.2 | Very low | 35 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | cis | -165.4 | 171 | -31.8 | -162.4 | 169.6 | 154.8 | 0 | 0 | 109.7 | ||||
| 1212 | M | 32.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | trans | 77.7 | 143.1 | 166.5 | -60 | -169.2 | 64.8 | 0 | 0 | 120.6 | ||||
| 1213 | P | 35.7 | Very low | 34.5 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -121.3 | -148.8 | -177.9 | 51.1 | -38.6 | 0 | 0 | 0 | 113.2 | ||||
| 1214 | P | 52 | Low | 34.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -121.4 | -176.4 | -134.2 | 36.3 | -13.6 | 0 | 0 | 0 | 116.2 | ||||
| 1215 | P | 39.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -152.5 | 141.3 | 136.5 | 34 | -14.6 | 0 | 0 | 0 | 119.6 | ||||
| 1216 | V | 34.9 | Very low | 33.9 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | trans | 72.7 | 153.9 | 133.3 | -179 | 0 | 0 | 0 | 0 | 122 | ||||
| 1217 | A | 34.7 | Very low | 33.6 | Very low | 85 Ų | 85 | 146.4 Ų | 146.4 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | trans | -103.3 | -152.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1218 | P | 36.9 | Very low | 33.5 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | cis | -146.2 | 161 | 1.8 | 43.3 | -23 | 0 | 0 | 0 | 120.4 | ||||
| 1219 | K | 31.7 | Very low | 33.3 | Very low | 208 Ų | 208 | 140 Ų | 140 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | 50.3 | 160.9 | 143.1 | -78.8 | -171.7 | 175.8 | 179.7 | 0 | 124.1 | ||||
| 1220 | P | 39.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -114.4 | -171.1 | -158.9 | 44.6 | -36 | 0 | 0 | 0 | 115.9 | ||||
| 1221 | K | 35 | Very low | 33.1 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | -126.1 | 151.1 | 166.3 | -72.5 | -173.6 | 176.8 | -179.2 | 0 | 112.4 | ||||
| 1222 | L | 27.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -86.7 | 165.7 | 171.9 | -68.2 | 89.3 | 0 | 0 | 0 | 111.6 | L1224 | L1222-L1224 HydrophobicContact CD2-CD1 3.98Š| ||
| 1223 | N | 32.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -146.7 | 147.9 | 131 | -114.9 | -17.8 | 0 | 0 | 0 | 111 | ||||
| 1224 | L | 27.3 | Very low | 33 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 142.2 | 176.9 | -70.9 | 77.9 | 0 | 0 | 0 | 110.2 | L1222 | L1222-L1224 HydrophobicContact CD2-CD1 3.98Š| ||
| 1225 | T | 31.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -140.6 | 158.4 | 144 | 39 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1226 | K | 28.2 | Very low | 31.5 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 81% | 0.809 | 82% | 0.823 | S | S | * | * | trans | -114.1 | 170.9 | -173.1 | -65.1 | 177.6 | 178.2 | 173.6 | 0 | 111.5 | ||||
| 1227 | S | 27.9 | Very low | 31.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | 84.8 | 135.7 | 150.7 | -51.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1228 | G | 31.5 | Very low | 31.1 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 155.6 | 88.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1229 | N | 28.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -76.1 | 148.3 | 168.6 | -62.9 | -26.1 | 0 | 0 | 0 | 109.6 | ||||
| 1230 | L | 32 | Very low | 30.9 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | -179.9 | 175.6 | 112.3 | -94.1 | 162.8 | 0 | 0 | 0 | 112.6 | |||||
| 1231 | C | 27.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -91.8 | 167.5 | -161.9 | -71.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1232 | P | 36.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -101.4 | 170.8 | -172.4 | 40.2 | -36 | 0 | 0 | 0 | 114.2 | ||||
| 1233 | A | 28.5 | Very low | 30.9 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -162.1 | 147.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1234 | S | 28.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 44.9 | 104.7 | 143.7 | 59.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1235 | A | 28.6 | Very low | 31.1 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | 44.1 | 132 | 113.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1236 | S | 32.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | -154.9 | 150.2 | 125.4 | -14.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1237 | T | 28 | Very low | 31.4 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 161.3 | 173.5 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1238 | L | 32.1 | Very low | 31.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | -167 | 170.8 | 115.7 | -102.7 | 165.3 | 0 | 0 | 0 | 112.7 | |||||
| 1239 | N | 29.1 | Very low | 31.8 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -96 | 166 | -169.9 | -53.9 | -36.1 | 0 | 0 | 0 | 113 | ||||
| 1240 | D | 34.9 | Very low | 32.2 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | -176 | 128.4 | 122.1 | -95.3 | -39.2 | 0 | 0 | 0 | 108.3 | |||||
| 1241 | S | 36.2 | Very low | 32.3 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | 67.5 | 140.5 | 72.5 | 85.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1242 | D | 32.9 | Very low | 32.5 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | cis | -155.1 | 170.6 | -5.7 | -142.7 | -37.3 | 0 | 0 | 0 | 109.8 | ||||
| 1243 | G | 33.8 | Very low | 32.2 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 168.4 | 128.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1244 | S | 31.5 | Very low | 32.4 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -153 | 173.6 | -155.1 | 52 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1245 | F | 32.3 | Very low | 32.5 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 149.4 | 174.2 | -65.5 | -79 | 0 | 0 | 0 | 116.8 | ||||
| 1246 | S | 36 | Very low | 32.6 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -150.9 | 162.9 | 6.4 | 35.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1247 | D | 30.4 | Very low | 32.9 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 175 | 173.1 | -52.8 | -95 | 0 | 0 | 0 | 114.7 | ||||
| 1248 | V | 35.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | -174.7 | 133.6 | 127.1 | 142.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1249 | D | 33.2 | Very low | 33.1 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 51 | 122.4 | 157.4 | -64.3 | -4.1 | 0 | 0 | 0 | 125.5 | ||||
| 1250 | P | 35.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -119.6 | 129.5 | 158.5 | 36.7 | -24.3 | 0 | 0 | 0 | 114.7 | ||||
| 1251 | V | 36.1 | Very low | 33 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -151.6 | 149.3 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1252 | A | 31.5 | Very low | 32.7 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | cis | -167.1 | 146.6 | -36.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1253 | V | 28.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 44.7 | 114.9 | 147.5 | -178.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1254 | S | 33.2 | Very low | 32.3 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 159.3 | 148.7 | 128 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1255 | R | 31.5 | Very low | 32.3 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | cis | -151.2 | 154.7 | -12 | -109.1 | 168.5 | -165 | -159.1 | 5 | 110 | ||||
| 1256 | L | 30.5 | Very low | 32.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -72.5 | -176.7 | 174.1 | -82.5 | 162.8 | 0 | 0 | 0 | 112.2 | ||||
| 1257 | P | 37.7 | Very low | 32 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -150.1 | 171.3 | 18.9 | 42.2 | -20.6 | 0 | 0 | 0 | 121.3 | ||||
| 1258 | N | 32.5 | Very low | 31.9 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 70.3 | 147.5 | 148.4 | -65.4 | -21 | 0 | 0 | 0 | 120.5 | ||||
| 1259 | A | 33.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | cis | -148.8 | 143.8 | 21.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1260 | R | 32.7 | Very low | 31.5 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 41.2 | 115.9 | 146.5 | -62.7 | 177.7 | 176.1 | 168.2 | -2.3 | 119.8 | ||||
| 1261 | V | 28.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | 77 | 112.8 | 52.5 | 176.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1262 | V | 30.7 | Very low | 31.1 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | -148.3 | 134.5 | 111.5 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1263 | S | 27.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -138.2 | 154.2 | 169.4 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1264 | L | 30.8 | Very low | 30.9 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -135.2 | 118.1 | 156.1 | -79 | 162.7 | 0 | 0 | 0 | 104.2 | ||||
| 1265 | E | 30.7 | Very low | 30.7 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | cis | 58.4 | 142.5 | 48.2 | -68 | -145.6 | 133.4 | 0 | 0 | 114.8 | ||||
| 1266 | L | 31.5 | Very low | 30.8 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 81% | 0.809 | S | S | * | * | cis | -170.6 | 159.9 | -31.8 | -151.1 | 115.1 | 0 | 0 | 0 | 106.2 | ||||
| 1267 | S | 30.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 175 | 121.7 | 140.9 | -83.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1268 | L | 28.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -112.8 | 148.9 | 155.5 | -78.7 | 161 | 0 | 0 | 0 | 106.7 | ||||
| 1269 | Q | 33 | Very low | 30.9 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -153.7 | 160.4 | 153.7 | -121.8 | 155.7 | 15.7 | 0 | 0 | 114 | ||||
| 1270 | T | 27.1 | Very low | 30.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -129.8 | 149.3 | -156.1 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1271 | C | 30.9 | Very low | 30.9 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 90% | 0.899 | 82% | 0.817 | S | S | * | * | trans | 177.5 | 158.8 | 157 | -101.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1272 | A | 31.3 | Very low | 31.2 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | cis | -163.3 | 167.5 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1273 | K | 27.3 | Very low | 31.2 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -46.8 | 142.6 | -177 | -56.9 | 168.9 | 178.1 | 176.8 | 0 | 115.7 | ||||
| 1274 | A | 27.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | 162.2 | 152 | 108.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1275 | G | 30.8 | Very low | 31.8 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 114 | 105.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1276 | S | 31.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -131.8 | 174.1 | 151.6 | -50 | 0 | 0 | 0 | 0 | 106 | ||||
| 1277 | P | 34.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | cis | -128.3 | -141.2 | 5.9 | 43.2 | -22.7 | 0 | 0 | 0 | 109.3 | ||||
| 1278 | P | 36.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | cis | -128.4 | -165.9 | -18.6 | 39.1 | -19.7 | 0 | 0 | 0 | 114.1 | ||||
| 1279 | D | 32.1 | Very low | 34.2 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 154.6 | -177.7 | -60.5 | -86.2 | 0 | 0 | 0 | 116.9 | ||||
| 1280 | G | 30.4 | Very low | 34.8 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -179 | 99.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1281 | H | 35.4 | Very low | 35.7 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 143.1 | 165.4 | -96.2 | -59.1 | 0 | 0 | 0 | 110.8 | ||||
| 1282 | P | 36 | Very low | 36.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -135.7 | 166.6 | 131.6 | 35.5 | -23.8 | 0 | 0 | 0 | 115.9 | ||||
| 1283 | E | 30.7 | Very low | 37.3 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -56.4 | 174.4 | -166.1 | -59.3 | 177 | 110.6 | 0 | 0 | 119.6 | ||||
| 1284 | K | 33.1 | Very low | 38.1 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | -86.1 | 145.2 | -174.7 | -58.7 | -179.1 | 179.1 | -174.6 | 0 | 113.2 | ||||
| 1285 | L | 37.7 | Very low | 39 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -123.5 | 137 | 158 | -83.2 | 166.9 | 0 | 0 | 0 | 110.2 | ||||
| 1286 | P | 41.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 148.9 | -170.4 | -22.1 | 34.4 | 0 | 0 | 0 | 115.4 | T1288 | P1286-T1288 PolarHBondContact O-N 3.03Š| ||
| 1287 | F | 34.7 | Very low | 40.4 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -27.5 | -179.7 | -174.8 | -102.2 | 0 | 0 | 0 | 114.4 | K1289 K1290 L1291 | F1287-K1289 PolarHBondContact O-N 3.13Å; F1287-K1290 PolarHBondContact O-N 2.76Å; F1287-K1290 VanDerWaalsContact O-N 3.13Å; F1287-L1291 HydrophobicContact CE1-CB 4.48Å; F1287-L1291 HydrophobicContact CE1-CD1 4.13Å; F1287-L1291 HydrophobicContact CE1-CD2 4.44Å; F1287-L1291 HydrophobicContact CZ-CD1 4.46Å; F1287-L1291 PolarHBondContact O-N 3.17Å |
| 1288 | T | 44.4 | Very low | 41 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 56% | 0.558 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.9 | -47.2 | -171.6 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | P1286 K1290 L1291 E1292 | P1286-T1288 PolarHBondContact O-N 3.03Å; T1288-K1290 VanDerWaalsContact C-N 3.27Å; T1288-K1290 PolarHBondContact O-N 3.15Å; T1288-L1291 WeakPolarHBondContact O-CB 3.48Å; T1288-L1291 PolarHBondContact O-N 3.01Å; T1288-E1292 PolarHBondContact O-N 3.28Å; T1288-E1292 VanDerWaalsContact O-N 3.12Å |
| 1289 | K | 51.2 | Low | 41.3 | Very low | 170 Ų | 170 | 133 Ų | 133 | 74% | 0.739 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.7 | -17.5 | -180 | -80.3 | -168.6 | 172.4 | -174.7 | 0 | 114.8 | F1287 | F1287-K1289 PolarHBondContact O-N 3.13Å |
| 1290 | K | 45.6 | Very low | 41.8 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.5 | -32.5 | 169.4 | -79 | -175.8 | 174.6 | 178.5 | 0 | 111.6 | F1287 T1288 F1294 | F1287-K1290 PolarHBondContact O-N 2.76Å; F1287-K1290 VanDerWaalsContact O-N 3.13Å; T1288-K1290 VanDerWaalsContact C-N 3.27Å; T1288-K1290 PolarHBondContact O-N 3.15Å; K1290-F1294 PolarHBondContact O-N 3.19Å |
| 1291 | L | 46.3 | Very low | 42.1 | Very low | 93 Ų | 93 | 132 Ų | 132 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.3 | -45.2 | 178.2 | -160.6 | 71 | 0 | 0 | 0 | 111.7 | F1287 T1288 K1293 F1294 Q1295 | F1287-L1291 HydrophobicContact CE1-CB 4.48Å; F1287-L1291 HydrophobicContact CE1-CD1 4.13Å; F1287-L1291 HydrophobicContact CE1-CD2 4.44Å; F1287-L1291 HydrophobicContact CZ-CD1 4.46Å; F1287-L1291 PolarHBondContact O-N 3.17Å; T1288-L1291 WeakPolarHBondContact O-CB 3.48Å; T1288-L1291 PolarHBondContact O-N 3.01Å; L1291-K1293 VanDerWaalsContact C-N 3.31Å; L1291-K1293 PolarHBondContact O-N 2.96Å; L1291-F1294 PolarHBondContact O-N 3.44Å; L1291-F1294 VanDerWaalsContact O-N 3.15Å; L1291-Q1295 WeakPolarHBondContact O-CB 3.4Å; L1291-Q1295 PolarHBondContact O-N 3.21Å |
| 1292 | E | 45.7 | Very low | 42.1 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -61 | -37.1 | 177.9 | -69.5 | 178.4 | 132.6 | 0 | 0 | 113.1 | T1288 Q1295 T1296 | T1288-E1292 PolarHBondContact O-N 3.28Å; T1288-E1292 VanDerWaalsContact O-N 3.12Å; E1292-Q1295 PolarHBondContact O-N 3.5Å; E1292-T1296 PolarHBondContact O-N 3.41Å; E1292-T1296 PolarHBondContact O-OG1 2.69Å |
| 1293 | K | 50.4 | Low | 41.9 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 62% | 0.622 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | -42.2 | 175.1 | -159.9 | 179.8 | -178.2 | -169.4 | 0 | 111.3 | L1291 Q1295 T1296 E1297 | L1291-K1293 VanDerWaalsContact C-N 3.31Å; L1291-K1293 PolarHBondContact O-N 2.96Å; K1293-Q1295 VanDerWaalsContact C-N 3.32Å; K1293-Q1295 PolarHBondContact O-N 3.47Å; K1293-T1296 PolarHBondContact O-N 3.49Å; K1293-T1296 PolarHBondContact O-OG1 3.15Å; K1293-T1296 VanDerWaalsContact O-OG1 3.13Å; K1293-E1297 WeakPolarHBondContact O-CB 3.43Å; K1293-E1297 PolarHBondContact O-N 2.85Å |
| 1294 | F | 43.5 | Very low | 41.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 62% | 0.618 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.3 | -31.1 | 177.2 | -145.7 | -101.8 | 0 | 0 | 0 | 112.6 | K1290 L1291 I1298 | K1290-F1294 PolarHBondContact O-N 3.19Å; L1291-F1294 PolarHBondContact O-N 3.44Å; L1291-F1294 VanDerWaalsContact O-N 3.15Å; F1294-I1298 HydrophobicContact CD1-CD1 3.71Å; F1294-I1298 HydrophobicContact CE1-CD1 3.83Å; F1294-I1298 WeakPolarHBondContact O-CB 3.37Å; F1294-I1298 WeakPolarHBondContact O-CD1 3.34Å; F1294-I1298 VanDerWaalsContact O-CG1 3.29Å; F1294-I1298 WeakPolarHBondContact O-CG1 3.39Å; F1294-I1298 PolarHBondContact O-N 2.97Å |
| 1295 | Q | 46.2 | Very low | 42 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 46% | 0.458 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.8 | -49.9 | 175.1 | -164.8 | 77.4 | 30.9 | 0 | 0 | 110.9 | L1291 E1292 K1293 E1297 I1298 E1299 | L1291-Q1295 WeakPolarHBondContact O-CB 3.4Å; L1291-Q1295 PolarHBondContact O-N 3.21Å; E1292-Q1295 PolarHBondContact O-N 3.5Å; K1293-Q1295 VanDerWaalsContact C-N 3.32Å; K1293-Q1295 PolarHBondContact O-N 3.47Å; Q1295-E1297 VanDerWaalsContact C-N 3.33Å; Q1295-E1297 PolarHBondContact O-N 2.92Å; Q1295-I1298 PolarHBondContact O-N 3.03Å; Q1295-E1299 PolarHBondContact NE2-OE1 3.33Å; Q1295-E1299 WeakPolarHBondContact O-CB 3.18Å; Q1295-E1299 WeakPolarHBondContact O-CG 3.5Å; Q1295-E1299 PolarHBondContact O-N 3.45Å |
| 1296 | T | 49.1 | Very low | 41.5 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.1 | -33.1 | 177.4 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | E1292 K1293 I1298 E1299 S1300 | E1292-T1296 PolarHBondContact O-N 3.41Å; E1292-T1296 PolarHBondContact O-OG1 2.69Å; K1293-T1296 PolarHBondContact O-N 3.49Å; K1293-T1296 PolarHBondContact O-OG1 3.15Å; K1293-T1296 VanDerWaalsContact O-OG1 3.13Å; T1296-I1298 VanDerWaalsContact C-N 3.34Å; T1296-E1299 PolarHBondContact O-N 3.02Å; T1296-S1300 VanDerWaalsContact O-CB 3.27Å; T1296-S1300 WeakPolarHBondContact O-CB 3.41Å; T1296-S1300 PolarHBondContact O-N 3.09Å; T1296-S1300 PolarHBondContact O-OG 2.93Å |
| 1297 | E | 44.1 | Very low | 41 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 45% | 0.449 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.3 | -16 | 177.7 | -164.7 | 159.1 | -163.3 | 0 | 0 | 113.3 | K1293 Q1295 Q1301 | K1293-E1297 WeakPolarHBondContact O-CB 3.43Å; K1293-E1297 PolarHBondContact O-N 2.85Å; Q1295-E1297 VanDerWaalsContact C-N 3.33Å; Q1295-E1297 PolarHBondContact O-N 2.92Å; E1297-Q1301 VanDerWaalsContact O-CD 3.28Å; E1297-Q1301 VanDerWaalsContact O-CG 3.28Å; E1297-Q1301 WeakPolarHBondContact O-CG 3.44Å; E1297-Q1301 PolarHBondContact O-NE2 2.79Å |
| 1298 | I | 46.6 | Very low | 40.9 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 46% | 0.456 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -89.1 | -31.8 | 167.2 | -73.2 | 170.3 | 0 | 0 | 0 | 111.6 | F1294 Q1295 T1296 | F1294-I1298 HydrophobicContact CD1-CD1 3.71Å; F1294-I1298 HydrophobicContact CE1-CD1 3.83Å; F1294-I1298 WeakPolarHBondContact O-CB 3.37Å; F1294-I1298 WeakPolarHBondContact O-CD1 3.34Å; F1294-I1298 VanDerWaalsContact O-CG1 3.29Å; F1294-I1298 WeakPolarHBondContact O-CG1 3.39Å; F1294-I1298 PolarHBondContact O-N 2.97Å; Q1295-I1298 PolarHBondContact O-N 3.03Å; T1296-I1298 VanDerWaalsContact C-N 3.34Å |
| 1299 | E | 42.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 54% | 0.542 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -81.6 | -26.2 | 179.1 | -72.8 | 167 | -169.4 | 0 | 0 | 112.3 | Q1295 T1296 Q1301 | Q1295-E1299 PolarHBondContact NE2-OE1 3.33Å; Q1295-E1299 WeakPolarHBondContact O-CB 3.18Å; Q1295-E1299 WeakPolarHBondContact O-CG 3.5Å; Q1295-E1299 PolarHBondContact O-N 3.45Å; T1296-E1299 PolarHBondContact O-N 3.02Å; E1299-Q1301 VanDerWaalsContact C-N 3.34Å |
| 1300 | S | 42.1 | Very low | 39.3 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 54% | 0.538 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -5.3 | 172.3 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | T1296 R1302 | T1296-S1300 VanDerWaalsContact O-CB 3.27Å; T1296-S1300 WeakPolarHBondContact O-CB 3.41Å; T1296-S1300 PolarHBondContact O-N 3.09Å; T1296-S1300 PolarHBondContact O-OG 2.93Å; S1300-R1302 VanDerWaalsContact C-N 3.34Å |
| 1301 | Q | 37.5 | Very low | 38.8 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 28.6 | 175.1 | -68.4 | 179.4 | 17.5 | 0 | 0 | 111.8 | E1297 E1299 | E1297-Q1301 VanDerWaalsContact O-CD 3.28Å; E1297-Q1301 VanDerWaalsContact O-CG 3.28Å; E1297-Q1301 WeakPolarHBondContact O-CG 3.44Å; E1297-Q1301 PolarHBondContact O-NE2 2.79Å; E1299-Q1301 VanDerWaalsContact C-N 3.34Å |
| 1302 | R | 34.9 | Very low | 38.2 | Very low | 226 Ų | 226 | 118.7 Ų | 118.7 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -134.7 | 10.4 | -177.6 | -77.5 | -173.6 | 158.3 | -161.1 | -8.1 | 114.7 | S1300 | S1300-R1302 VanDerWaalsContact C-N 3.34Š|
| 1303 | S | 31.6 | Very low | 37.6 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -117.6 | 167.4 | 162.2 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1304 | D | 31.3 | Very low | 36.8 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | 78.7 | 166.3 | 172.6 | -46.1 | -45.2 | 0 | 0 | 0 | 116.6 | ||||
| 1305 | D | 34.5 | Very low | 36.1 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 91% | 0.914 | 71% | 0.707 | S | S | * | * | trans | 60.3 | 60.4 | -172.5 | -67.4 | -12.4 | 0 | 0 | 0 | 118 | ||||
| 1306 | A | 27.7 | Very low | 35.6 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -121 | 94 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1307 | A | 30.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -160.4 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1308 | A | 32.9 | Very low | 34 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 66.5 | 89.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1309 | A | 30.6 | Very low | 33.3 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -80.2 | 167.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1310 | G | 31.8 | Very low | 32.8 | Very low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | 169.4 | 72.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1311 | T | 35.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 57.8 | 151.1 | 147.4 | 52.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1312 | N | 32.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | cis | -163.9 | 164.2 | -33.1 | -147.2 | -11.7 | 0 | 0 | 0 | 111.5 | ||||
| 1313 | N | 32.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | trans | 72.4 | 127.8 | 163.3 | -63 | -40.4 | 0 | 0 | 0 | 120.8 | ||||
| 1314 | G | 33.8 | Very low | 32.4 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | 166 | 41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1315 | K | 30.5 | Very low | 32.3 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -39.1 | 146.8 | -175.6 | -57.5 | 169.4 | -177.6 | 174.8 | 0 | 114.4 | ||||
| 1316 | S | 34.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | cis | -150.2 | 170.6 | 26.9 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1317 | K | 29.1 | Very low | 33.8 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -141.1 | 134.5 | -164.1 | -178.7 | -177.4 | -177.3 | -179.9 | 0 | 112.6 | ||||
| 1318 | L | 31.2 | Very low | 34.6 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -134.6 | 162.4 | 165.9 | -82.6 | 177.3 | 0 | 0 | 0 | 109.8 | ||||
| 1319 | P | 31.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 168.3 | -138.6 | 36.3 | -38.4 | 0 | 0 | 0 | 117 | ||||
| 1320 | M | 32.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 131.8 Ų | 131.8 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 152.7 | 171.8 | -59.5 | -167 | -60.8 | 0 | 0 | 112.5 | ||||
| 1321 | S | 34.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -134.6 | 161.1 | 152.8 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1322 | A | 34.4 | Very low | 36.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -121.5 | 149 | -147 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1323 | G | 31.1 | Very low | 37.8 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 100.4 | 106.2 | 131 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1324 | S | 36.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -143.3 | 114.7 | 150.8 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | R1326 | S1324-R1326 PolarHBondContact O-N 3.02Š| ||
| 1325 | V | 30.5 | Very low | 39 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -83.5 | 100.5 | -174.2 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1326 | R | 40.1 | Very low | 40 | Very low | 202 Ų | 202 | 124.8 Ų | 124.8 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | trans | -76.1 | 138.6 | 170.8 | -69.9 | -178.7 | 175.8 | 168.1 | -0.5 | 110.3 | S1324 | S1324-R1326 PolarHBondContact O-N 3.02Š| ||
| 1327 | T | 52.2 | Low | 40.8 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | trans | -79.7 | 150.2 | 175.3 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | K1329 A1330 E1331 | T1327-K1329 PolarHBondContact O-N 2.67Å; T1327-A1330 WeakPolarHBondContact O-CB 3.21Å; T1327-A1330 PolarHBondContact O-N 2.92Å; T1327-A1330 PolarHBondContact OG1-N 3.05Å; T1327-E1331 PolarHBondContact O-N 3.29Å; T1327-E1331 VanDerWaalsContact O-N 3.15Å | ||
| 1328 | K | 47.1 | Very low | 41.9 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -50.6 | -25.5 | 169.4 | -96 | -177.4 | 172.6 | 179.1 | 0 | 113.5 | N1332 | K1328-N1332 VanDerWaalsContact O-CB 3.29Å; K1328-N1332 WeakPolarHBondContact O-CB 3.37Å; K1328-N1332 VanDerWaalsContact O-CG 3.24Å; K1328-N1332 PolarHBondContact O-N 3.32Å; K1328-N1332 PolarHBondContact O-OD1 2.88Å |
| 1329 | K | 48.8 | Very low | 43 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82 | -9.5 | 177.8 | -163.6 | 170.9 | -177.5 | 177.5 | 0 | 114.1 | T1327 R1333 | T1327-K1329 PolarHBondContact O-N 2.67Å; K1329-R1333 WeakPolarHBondContact O-CG 3.2Å; K1329-R1333 PolarHBondContact O-NE 3.36Å; K1329-R1333 VanDerWaalsContact O-NE 3.17Å |
| 1330 | A | 42.8 | Very low | 44.1 | Very low | 44 Ų | 44 | 113.4 Ų | 113.4 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -92.9 | -44.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1327 N1332 R1333 L1334 | T1327-A1330 WeakPolarHBondContact O-CB 3.21Å; T1327-A1330 PolarHBondContact O-N 2.92Å; T1327-A1330 PolarHBondContact OG1-N 3.05Å; A1330-N1332 PolarHBondContact O-N 2.81Å; A1330-R1333 WeakPolarHBondContact O-CB 3.15Å; A1330-R1333 PolarHBondContact O-N 2.69Å; A1330-L1334 PolarHBondContact O-N 3.14Å |
| 1331 | E | 44 | Very low | 45.2 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -56 | -50.7 | 176.3 | -166.1 | 166.2 | -125.6 | 0 | 0 | 112 | T1327 R1333 L1334 I1335 | T1327-E1331 PolarHBondContact O-N 3.29Å; T1327-E1331 VanDerWaalsContact O-N 3.15Å; E1331-R1333 PolarHBondContact O-N 3.15Å; E1331-R1333 VanDerWaalsContact O-N 3.17Å; E1331-L1334 PolarHBondContact O-N 3.29Å; E1331-L1334 VanDerWaalsContact O-N 3.15Å; E1331-I1335 HydrophobicContact CG-CD1 4.17Å; E1331-I1335 WeakPolarHBondContact O-CG1 3.5Å; E1331-I1335 PolarHBondContact O-N 3.24Å; E1331-I1335 VanDerWaalsContact O-N 3.13Å |
| 1332 | N | 45 | Very low | 46.2 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -23.6 | 174.4 | -74.1 | 8.2 | 0 | 0 | 0 | 114 | K1328 A1330 M1336 | K1328-N1332 VanDerWaalsContact O-CB 3.29Å; K1328-N1332 WeakPolarHBondContact O-CB 3.37Å; K1328-N1332 VanDerWaalsContact O-CG 3.24Å; K1328-N1332 PolarHBondContact O-N 3.32Å; K1328-N1332 PolarHBondContact O-OD1 2.88Å; A1330-N1332 PolarHBondContact O-N 2.81Å; N1332-M1336 WeakPolarHBondContact O-CB 3.43Å; N1332-M1336 WeakPolarHBondContact O-CE 3.47Å; N1332-M1336 VanDerWaalsContact O-CG 3.29Å; N1332-M1336 WeakPolarHBondContact O-CG 3.45Å; N1332-M1336 PolarHBondContact O-N 2.85Å |
| 1333 | R | 50.2 | Low | 47.5 | Very low | 146 Ų | 146 | 108.1 Ų | 108.1 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.1 | -42.4 | 174.6 | -71.4 | -172.4 | -137.5 | -157.1 | 9.7 | 111.4 | K1329 A1330 E1331 M1336 S1337 | K1329-R1333 WeakPolarHBondContact O-CG 3.2Å; K1329-R1333 PolarHBondContact O-NE 3.36Å; K1329-R1333 VanDerWaalsContact O-NE 3.17Å; A1330-R1333 WeakPolarHBondContact O-CB 3.15Å; A1330-R1333 PolarHBondContact O-N 2.69Å; E1331-R1333 PolarHBondContact O-N 3.15Å; E1331-R1333 VanDerWaalsContact O-N 3.17Å; R1333-M1336 PolarHBondContact O-N 2.86Å; R1333-S1337 PolarHBondContact O-N 2.62Å; R1333-S1337 PolarHBondContact O-OG 2.9Å |
| 1334 | L | 42.9 | Very low | 48.8 | Very low | 93 Ų | 93 | 106.5 Ų | 106.5 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | -179.8 | -164.6 | 68.3 | 0 | 0 | 0 | 110.8 | A1330 E1331 M1336 S1337 E1338 | A1330-L1334 PolarHBondContact O-N 3.14Å; E1331-L1334 PolarHBondContact O-N 3.29Å; E1331-L1334 VanDerWaalsContact O-N 3.15Å; L1334-M1336 VanDerWaalsContact C-N 3.27Å; L1334-M1336 PolarHBondContact O-N 2.75Å; L1334-S1337 WeakPolarHBondContact CA-OG 3.47Å; L1334-S1337 PolarHBondContact O-N 2.86Å; L1334-S1337 VanDerWaalsContact O-N 3.11Å; L1334-S1337 PolarHBondContact O-OG 2.88Å; L1334-E1338 WeakPolarHBondContact O-CG 3.36Å; L1334-E1338 PolarHBondContact O-N 3.38Å |
| 1335 | I | 48.8 | Very low | 49.5 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 41% | 0.41 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -34.9 | 176.4 | -62.8 | 166.4 | 0 | 0 | 0 | 111.6 | E1331 K1339 | E1331-I1335 HydrophobicContact CG-CD1 4.17Å; E1331-I1335 WeakPolarHBondContact O-CG1 3.5Å; E1331-I1335 PolarHBondContact O-N 3.24Å; E1331-I1335 VanDerWaalsContact O-N 3.13Å; I1335-K1339 WeakPolarHBondContact O-CG 3.27Å; I1335-K1339 PolarHBondContact O-N 3.31Å |
| 1336 | M | 52.5 | Low | 50.3 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 174.2 | -79.1 | -168.5 | -62.7 | 0 | 0 | 113.2 | N1332 R1333 L1334 F1340 F1351 | N1332-M1336 WeakPolarHBondContact O-CB 3.43Å; N1332-M1336 WeakPolarHBondContact O-CE 3.47Å; N1332-M1336 VanDerWaalsContact O-CG 3.29Å; N1332-M1336 WeakPolarHBondContact O-CG 3.45Å; N1332-M1336 PolarHBondContact O-N 2.85Å; R1333-M1336 PolarHBondContact O-N 2.86Å; L1334-M1336 VanDerWaalsContact C-N 3.27Å; L1334-M1336 PolarHBondContact O-N 2.75Å; M1336-F1340 WeakPolarHBondContact O-CB 3.49Å; M1336-F1340 PolarHBondContact O-N 2.9Å; M1336-F1340 VanDerWaalsContact O-N 3.13Å; M1336-F1351 HydrophobicContact CG-CZ 4.31Å; M1336-F1351 HydrophobicContact SD-CZ 3.97Å |
| 1337 | S | 50 | Low | 51.6 | Low | 60 Ų | 60 | 94.9 Ų | 94.9 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.4 | 40.1 | 0 | 0 | 0 | 0 | 112.4 | R1333 L1334 F1340 | R1333-S1337 PolarHBondContact O-N 2.62Å; R1333-S1337 PolarHBondContact O-OG 2.9Å; L1334-S1337 WeakPolarHBondContact CA-OG 3.47Å; L1334-S1337 PolarHBondContact O-N 2.86Å; L1334-S1337 VanDerWaalsContact O-N 3.11Å; L1334-S1337 PolarHBondContact O-OG 2.88Å; S1337-F1340 PolarHBondContact O-N 3.33Å |
| 1338 | E | 52.3 | Low | 52.1 | Low | 127 Ų | 127 | 93.3 Ų | 93.3 | 59% | 0.593 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -45.2 | -179.9 | -69.7 | 172.7 | 166.6 | 0 | 0 | 111.4 | L1334 F1340 H1341 | L1334-E1338 WeakPolarHBondContact O-CG 3.36Å; L1334-E1338 PolarHBondContact O-N 3.38Å; E1338-F1340 PolarHBondContact O-N 3.27Å; E1338-H1341 PolarHBondContact O-N 2.77Å |
| 1339 | K | 55.5 | Low | 52.5 | Low | 139 Ų | 139 | 89.8 Ų | 89.8 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 176.3 | -74 | -173.2 | 175.9 | -170.5 | 0 | 113.4 | I1335 H1341 S1342 L1343 | I1335-K1339 WeakPolarHBondContact O-CG 3.27Å; I1335-K1339 PolarHBondContact O-N 3.31Å; K1339-H1341 PolarHBondContact O-N 3.07Å; K1339-S1342 PolarHBondContact O-N 2.93Å; K1339-S1342 PolarHBondContact O-OG 3.48Å; K1339-L1343 PolarHBondContact O-N 2.72Å |
| 1340 | F | 54.9 | Low | 53.2 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -27.3 | -176.2 | -168.4 | -111.8 | 0 | 0 | 0 | 113.1 | M1336 S1337 E1338 L1343 Q1348 F1351 E1352 | M1336-F1340 WeakPolarHBondContact O-CB 3.49Å; M1336-F1340 PolarHBondContact O-N 2.9Å; M1336-F1340 VanDerWaalsContact O-N 3.13Å; S1337-F1340 PolarHBondContact O-N 3.33Å; E1338-F1340 PolarHBondContact O-N 3.27Å; F1340-L1343 HydrophobicContact CD2-CD1 4.22Å; F1340-Q1348 HydrophobicContact CD2-CG 4.25Å; F1340-Q1348 HydrophobicContact CE2-CB 3.88Å; F1340-Q1348 HydrophobicContact CE2-CG 3.88Å; F1340-Q1348 HydrophobicContact CZ-CB 4.07Å; F1340-Q1348 HydrophobicContact CZ-CG 4.1Å; F1340-Q1348 PolarHBondContact O-NE2 3.2Å; F1340-F1351 AromaticContact CD2-CD1 3.48Å; F1340-F1351 HydrophobicContact CD2-CD1 3.48Å; F1340-F1351 VanDerWaalsContact CD2-CD1 3.48Å; F1340-F1351 AromaticContact CD2-CE1 3.87Å; F1340-F1351 HydrophobicContact CD2-CE1 3.87Å; F1340-F1351 AromaticContact CE2-CD1 3.71Å; F1340-F1351 HydrophobicContact CE2-CD1 3.71Å; F1340-F1351 HydrophobicContact CE2-CE1 4.42Å; F1340-E1352 HydrophobicContact CE2-CG 4.41Å; F1340-E1352 HydrophobicContact CZ-CG 4.28Å |
| 1341 | H | 55.1 | Low | 54.3 | Low | 161 Ų | 161 | 85.4 Ų | 85.4 | 75% | 0.745 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.9 | 177.6 | -72.6 | 29.3 | 0 | 0 | 0 | 114.1 | E1338 K1339 | E1338-H1341 PolarHBondContact O-N 2.77Å; K1339-H1341 PolarHBondContact O-N 3.07Å |
| 1342 | S | 56.3 | Low | 55.2 | Low | 96 Ų | 96 | 84 Ų | 84 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -10.7 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | K1339 | K1339-S1342 PolarHBondContact O-N 2.93Å; K1339-S1342 PolarHBondContact O-OG 3.48Å |
| 1343 | L | 60.3 | Low | 56 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -73 | 145.3 | 179.8 | -68.3 | -175.8 | 0 | 0 | 0 | 112 | K1339 F1340 E1347 Q1348 F1351 | K1339-L1343 PolarHBondContact O-N 2.72Å; F1340-L1343 HydrophobicContact CD2-CD1 4.22Å; L1343-E1347 HydrophobicContact CB-CB 3.93Å; L1343-E1347 HydrophobicContact CD1-CB 4.23Å; L1343-E1347 HydrophobicContact CD2-CB 3.97Å; L1343-E1347 HydrophobicContact CG-CB 4.24Å; L1343-Q1348 HydrophobicContact CB-CG 3.65Å; L1343-F1351 HydrophobicContact CD1-CB 4.39Å |
| 1344 | S | 58.9 | Low | 56.8 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | trans | -65.9 | 160.4 | 168.9 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | A1346 E1347 Q1348 | S1344-A1346 PolarHBondContact O-N 3.31Å; S1344-A1346 PolarHBondContact OG-N 3.24Å; S1344-E1347 WeakPolarHBondContact CB-OE2 3.39Å; S1344-E1347 PolarHBondContact N-OE2 2.89Å; S1344-E1347 PolarHBondContact O-N 2.81Å; S1344-E1347 PolarHBondContact OG-N 3.01Å; S1344-E1347 PolarHBondContact OG-OE2 3.15Å; S1344-Q1348 WeakPolarHBondContact O-CG 3.19Å; S1344-Q1348 PolarHBondContact O-N 2.9Å | ||
| 1345 | P | 52 | Low | 58.2 | Low | 55 Ų | 55 | 81 Ų | 81 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -13.6 | 174.9 | -25.4 | 35.6 | 0 | 0 | 0 | 115.1 | R1349 | P1345-R1349 WeakPolarHBondContact O-CG 3.37Å; P1345-R1349 PolarHBondContact O-NE 3.06Å |
| 1346 | A | 46.5 | Very low | 59 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -81.8 | -47.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1344 R1349 A1350 | S1344-A1346 PolarHBondContact O-N 3.31Å; S1344-A1346 PolarHBondContact OG-N 3.24Å; A1346-R1349 PolarHBondContact O-N 2.86Å; A1346-A1350 PolarHBondContact O-N 3.38Å |
| 1347 | E | 66.8 | Low | 59.5 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 177.9 | -65.7 | 158.4 | 113.6 | 0 | 0 | 112.3 | L1343 S1344 R1349 A1350 F1351 | L1343-E1347 HydrophobicContact CB-CB 3.93Å; L1343-E1347 HydrophobicContact CD1-CB 4.23Å; L1343-E1347 HydrophobicContact CD2-CB 3.97Å; L1343-E1347 HydrophobicContact CG-CB 4.24Å; S1344-E1347 WeakPolarHBondContact CB-OE2 3.39Å; S1344-E1347 PolarHBondContact N-OE2 2.89Å; S1344-E1347 PolarHBondContact O-N 2.81Å; S1344-E1347 PolarHBondContact OG-N 3.01Å; S1344-E1347 PolarHBondContact OG-OE2 3.15Å; E1347-R1349 VanDerWaalsContact C-N 3.35Å; E1347-R1349 PolarHBondContact O-N 3.28Å; E1347-A1350 PolarHBondContact O-N 3.12Å; E1347-F1351 VanDerWaalsContact O-CB 3.32Å; E1347-F1351 WeakPolarHBondContact O-CB 3.48Å; E1347-F1351 PolarHBondContact O-N 3.15Å |
| 1348 | Q | 62.7 | Low | 60.3 | Low | 54 Ų | 54 | 78.8 Ų | 78.8 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 172.5 | -72.2 | 178.5 | -24.7 | 0 | 0 | 111.4 | F1340 L1343 S1344 F1351 E1352 | F1340-Q1348 HydrophobicContact CD2-CG 4.25Å; F1340-Q1348 HydrophobicContact CE2-CB 3.88Å; F1340-Q1348 HydrophobicContact CE2-CG 3.88Å; F1340-Q1348 HydrophobicContact CZ-CB 4.07Å; F1340-Q1348 HydrophobicContact CZ-CG 4.1Å; F1340-Q1348 PolarHBondContact O-NE2 3.2Å; L1343-Q1348 HydrophobicContact CB-CG 3.65Å; S1344-Q1348 WeakPolarHBondContact O-CG 3.19Å; S1344-Q1348 PolarHBondContact O-N 2.9Å; Q1348-F1351 PolarHBondContact O-N 3.16Å; Q1348-E1352 WeakPolarHBondContact O-CG 3.12Å; Q1348-E1352 PolarHBondContact O-N 3.2Å |
| 1349 | R | 57.3 | Low | 61 | Low | 90 Ų | 90 | 78.7 Ų | 78.7 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68 | -39 | 176.2 | -75 | 179.4 | -63.7 | 140.4 | -5.5 | 112.5 | D137 S139 P1345 A1346 E1347 E1352 A1353 | D137-R1349 WeakPolarHBondContact OD1-CD 3.47Å; S139-R1349 PolarHBondContact OG-NH1 3.27Å; P1345-R1349 WeakPolarHBondContact O-CG 3.37Å; P1345-R1349 PolarHBondContact O-NE 3.06Å; A1346-R1349 PolarHBondContact O-N 2.86Å; E1347-R1349 VanDerWaalsContact C-N 3.35Å; E1347-R1349 PolarHBondContact O-N 3.28Å; R1349-E1352 PolarHBondContact O-N 3.13Å; R1349-A1353 WeakPolarHBondContact O-CB 3.3Å; R1349-A1353 PolarHBondContact O-N 3.19Å |
| 1350 | A | 61.4 | Low | 61.6 | Low | 61 Ų | 61 | 74.2 Ų | 74.2 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1346 E1347 A1353 E1354 | A1346-A1350 PolarHBondContact O-N 3.38Å; E1347-A1350 PolarHBondContact O-N 3.12Å; A1350-A1353 PolarHBondContact O-N 3.43Å; A1350-E1354 WeakPolarHBondContact O-CB 3.36Å; A1350-E1354 PolarHBondContact O-N 2.98Å |
| 1351 | F | 67 | Low | 62.3 | Low | 47 Ų | 47 | 78 Ų | 78 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.4 | -30 | 177 | -175.1 | -116.4 | 0 | 0 | 0 | 113.1 | M1336 F1340 L1343 E1347 Q1348 K1355 | M1336-F1351 HydrophobicContact CG-CZ 4.31Å; M1336-F1351 HydrophobicContact SD-CZ 3.97Å; F1340-F1351 AromaticContact CD2-CD1 3.48Å; F1340-F1351 HydrophobicContact CD2-CD1 3.48Å; F1340-F1351 VanDerWaalsContact CD2-CD1 3.48Å; F1340-F1351 AromaticContact CD2-CE1 3.87Å; F1340-F1351 HydrophobicContact CD2-CE1 3.87Å; F1340-F1351 AromaticContact CE2-CD1 3.71Å; F1340-F1351 HydrophobicContact CE2-CD1 3.71Å; F1340-F1351 HydrophobicContact CE2-CE1 4.42Å; L1343-F1351 HydrophobicContact CD1-CB 4.39Å; E1347-F1351 VanDerWaalsContact O-CB 3.32Å; E1347-F1351 WeakPolarHBondContact O-CB 3.48Å; E1347-F1351 PolarHBondContact O-N 3.15Å; Q1348-F1351 PolarHBondContact O-N 3.16Å; F1351-K1355 HydrophobicContact CD1-CD 4.44Å; F1351-K1355 HydrophobicContact CE1-CD 4.39Å; F1351-K1355 WeakPolarHBondContact O-CG 3.13Å; F1351-K1355 PolarHBondContact O-N 3.33Å |
| 1352 | E | 63.1 | Low | 63 | Low | 76 Ų | 76 | 73.1 Ų | 73.1 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 170.6 | -77.3 | -162.4 | -174.2 | 0 | 0 | 113.5 | F1340 Q1348 R1349 E1354 K1355 R1356 | F1340-E1352 HydrophobicContact CE2-CG 4.41Å; F1340-E1352 HydrophobicContact CZ-CG 4.28Å; Q1348-E1352 WeakPolarHBondContact O-CG 3.12Å; Q1348-E1352 PolarHBondContact O-N 3.2Å; R1349-E1352 PolarHBondContact O-N 3.13Å; E1352-E1354 VanDerWaalsContact C-N 3.31Å; E1352-K1355 WeakPolarHBondContact O-CB 3.09Å; E1352-K1355 PolarHBondContact O-N 2.63Å; E1352-R1356 VanDerWaalsContact O-CG 3.28Å; E1352-R1356 WeakPolarHBondContact O-CG 3.5Å; E1352-R1356 PolarHBondContact O-N 2.94Å; E1352-R1356 IonicContact OE2-NH2 3.24Å; E1352-R1356 PolarHBondContact OE2-NH2 2.96Å; E1352-R1356 VanDerWaalsContact OE2-NH2 3.13Å |
| 1353 | A | 61.1 | Low | 63.6 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1349 A1350 R1356 A1357 | R1349-A1353 WeakPolarHBondContact O-CB 3.3Å; R1349-A1353 PolarHBondContact O-N 3.19Å; A1350-A1353 PolarHBondContact O-N 3.43Å; A1353-R1356 PolarHBondContact O-N 3.48Å; A1353-A1357 WeakPolarHBondContact O-CB 3.34Å; A1353-A1357 PolarHBondContact O-N 2.68Å |
| 1354 | E | 68 | Low | 64 | Low | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 172.1 | -172 | -175.2 | -168.9 | 0 | 0 | 111.7 | A1350 E1352 R1356 A1357 A1358 | A1350-E1354 WeakPolarHBondContact O-CB 3.36Å; A1350-E1354 PolarHBondContact O-N 2.98Å; E1352-E1354 VanDerWaalsContact C-N 3.31Å; E1354-R1356 PolarHBondContact O-N 3.37Å; E1354-A1357 PolarHBondContact O-N 2.58Å; E1354-A1358 VanDerWaalsContact O-CB 3.27Å; E1354-A1358 WeakPolarHBondContact O-CB 3.17Å; E1354-A1358 PolarHBondContact O-N 3.16Å |
| 1355 | K | 71.1 | Confident | 64.7 | Low | 98 Ų | 98 | 76.7 Ų | 76.7 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 173.1 | -79.7 | 170.2 | 178.5 | 167.7 | 0 | 112.5 | F1351 E1352 A1358 W1359 | F1351-K1355 HydrophobicContact CD1-CD 4.44Å; F1351-K1355 HydrophobicContact CE1-CD 4.39Å; F1351-K1355 WeakPolarHBondContact O-CG 3.13Å; F1351-K1355 PolarHBondContact O-N 3.33Å; E1352-K1355 WeakPolarHBondContact O-CB 3.09Å; E1352-K1355 PolarHBondContact O-N 2.63Å; K1355-A1358 PolarHBondContact O-N 3.05Å; K1355-W1359 VanDerWaalsContact O-CB 3.29Å; K1355-W1359 WeakPolarHBondContact O-CB 3.48Å; K1355-W1359 PolarHBondContact O-N 2.83Å |
| 1356 | R | 65.9 | Low | 65.6 | Low | 89 Ų | 89 | 76.9 Ų | 76.9 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 177.1 | -69.1 | 170.5 | -140.4 | 159.9 | 1.2 | 110.4 | E1352 A1353 E1354 W1359 R1360 | E1352-R1356 VanDerWaalsContact O-CG 3.28Å; E1352-R1356 WeakPolarHBondContact O-CG 3.5Å; E1352-R1356 PolarHBondContact O-N 2.94Å; E1352-R1356 IonicContact OE2-NH2 3.24Å; E1352-R1356 PolarHBondContact OE2-NH2 2.96Å; E1352-R1356 VanDerWaalsContact OE2-NH2 3.13Å; A1353-R1356 PolarHBondContact O-N 3.48Å; E1354-R1356 PolarHBondContact O-N 3.37Å; R1356-W1359 PolarHBondContact O-N 3.21Å; R1356-R1360 WeakPolarHBondContact O-CB 3.35Å; R1356-R1360 WeakPolarHBondContact O-CG 3.31Å; R1356-R1360 PolarHBondContact O-N 3.45Å |
| 1357 | A | 63.2 | Low | 66.7 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1353 E1354 W1359 R1360 Q1361 | A1353-A1357 WeakPolarHBondContact O-CB 3.34Å; A1353-A1357 PolarHBondContact O-N 2.68Å; E1354-A1357 PolarHBondContact O-N 2.58Å; A1357-W1359 VanDerWaalsContact C-N 3.34Å; A1357-W1359 PolarHBondContact O-N 3.1Å; A1357-R1360 PolarHBondContact O-N 3.27Å; A1357-Q1361 WeakPolarHBondContact O-CG 3.44Å; A1357-Q1361 PolarHBondContact O-N 2.88Å |
| 1358 | A | 67.3 | Low | 67.1 | Low | 53 Ų | 53 | 78.2 Ų | 78.2 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1354 K1355 A1362 | E1354-A1358 VanDerWaalsContact O-CB 3.27Å; E1354-A1358 WeakPolarHBondContact O-CB 3.17Å; E1354-A1358 PolarHBondContact O-N 3.16Å; K1355-A1358 PolarHBondContact O-N 3.05Å; A1358-A1362 WeakPolarHBondContact O-CB 3.34Å; A1358-A1362 PolarHBondContact O-N 3.01Å |
| 1359 | W | 67 | Low | 67.7 | Low | 124 Ų | 124 | 77.7 Ų | 77.7 | 47% | 0.47 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 174.2 | -168.7 | 93.7 | 0 | 0 | 0 | 111.8 | L1133 C1136 K1355 R1356 A1357 Q1361 A1362 R1363 | L1133-W1359 HydrophobicContact CD2-CH2 3.58Å; L1133-W1359 HydrophobicContact CD2-CZ3 4.06Å; C1136-W1359 HydrophobicContact CB-CZ2 4.11Å; C1136-W1359 VanDerWaalsContact SG-CZ2 3.59Å; K1355-W1359 VanDerWaalsContact O-CB 3.29Å; K1355-W1359 WeakPolarHBondContact O-CB 3.48Å; K1355-W1359 PolarHBondContact O-N 2.83Å; R1356-W1359 PolarHBondContact O-N 3.21Å; A1357-W1359 VanDerWaalsContact C-N 3.34Å; A1357-W1359 PolarHBondContact O-N 3.1Å; W1359-Q1361 PolarHBondContact O-N 3.3Å; W1359-A1362 PolarHBondContact O-N 3.23Å; W1359-R1363 HydrophobicContact CZ3-CB 4.45Å; W1359-R1363 WeakPolarHBondContact O-CB 3.28Å; W1359-R1363 PolarHBondContact O-N 3.41Å |
| 1360 | R | 66.6 | Low | 68.3 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 170.7 | -75 | 174.5 | -175.9 | 176.9 | -0.5 | 111 | D68 N69 R1356 A1357 A1362 R1363 L1364 | D68-R1360 IonicContact OD1-CZ 3.84Å; D68-R1360 IonicContact OD1-NE 3.87Å; D68-R1360 IonicContact OD1-NH2 3.21Å; D68-R1360 PolarHBondContact OD1-NH2 2.78Å; N69-R1360 PolarHBondContact O-NH1 2.92Å; N69-R1360 PolarHBondContact O-NH2 2.98Å; R1356-R1360 WeakPolarHBondContact O-CB 3.35Å; R1356-R1360 WeakPolarHBondContact O-CG 3.31Å; R1356-R1360 PolarHBondContact O-N 3.45Å; A1357-R1360 PolarHBondContact O-N 3.27Å; R1360-A1362 PolarHBondContact O-N 3.04Å; R1360-R1363 PolarHBondContact O-N 3.47Å; R1360-L1364 WeakPolarHBondContact O-CB 3.31Å; R1360-L1364 PolarHBondContact O-N 3.01Å |
| 1361 | Q | 69.7 | Low | 68.7 | Low | 121 Ų | 121 | 76.5 Ų | 76.5 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 175.5 | -73.4 | -176.8 | 15.5 | 0 | 0 | 113.5 | A1357 W1359 K1365 | A1357-Q1361 WeakPolarHBondContact O-CG 3.44Å; A1357-Q1361 PolarHBondContact O-N 2.88Å; W1359-Q1361 PolarHBondContact O-N 3.3Å; Q1361-K1365 WeakPolarHBondContact O-CG 3.23Å; Q1361-K1365 PolarHBondContact O-N 3.26Å; Q1361-K1365 VanDerWaalsContact O-N 3.13Å |
| 1362 | A | 70.3 | Confident | 69.3 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 50% | 0.496 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A1358 W1359 R1360 S1366 | A1358-A1362 WeakPolarHBondContact O-CB 3.34Å; A1358-A1362 PolarHBondContact O-N 3.01Å; W1359-A1362 PolarHBondContact O-N 3.23Å; R1360-A1362 PolarHBondContact O-N 3.04Å; A1362-S1366 PolarHBondContact O-N 3.02Å; A1362-S1366 VanDerWaalsContact O-N 3.16Å |
| 1363 | R | 69.8 | Low | 69.9 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 174.2 | -174.9 | 61.9 | 171.8 | -167.6 | -5.8 | 111.2 | C1136 W1359 R1360 K1365 S1366 L1367 | C1136-R1363 PolarHBondContact SG-NH1 3.03Å; W1359-R1363 HydrophobicContact CZ3-CB 4.45Å; W1359-R1363 WeakPolarHBondContact O-CB 3.28Å; W1359-R1363 PolarHBondContact O-N 3.41Å; R1360-R1363 PolarHBondContact O-N 3.47Å; R1363-K1365 PolarHBondContact O-N 3.19Å; R1363-S1366 WeakPolarHBondContact O-CB 3.44Å; R1363-S1366 PolarHBondContact O-N 2.86Å; R1363-S1366 VanDerWaalsContact O-N 3.14Å; R1363-L1367 HydrophobicContact CG-CD1 4.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.47Å; R1363-L1367 PolarHBondContact O-N 3.31Å |
| 1364 | L | 68.8 | Low | 70.4 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54.9 | -52.6 | 175.6 | -168.4 | 77.7 | 0 | 0 | 0 | 111.1 | N23 R1360 S1366 L1367 E1368 | N23-L1364 WeakPolarHBondContact OD1-CD1 3.4Å; R1360-L1364 WeakPolarHBondContact O-CB 3.31Å; R1360-L1364 PolarHBondContact O-N 3.01Å; L1364-S1366 VanDerWaalsContact C-N 3.26Å; L1364-S1366 PolarHBondContact O-N 2.85Å; L1364-L1367 PolarHBondContact O-N 2.89Å; L1364-E1368 WeakPolarHBondContact O-CG 3.08Å; L1364-E1368 PolarHBondContact O-N 2.81Å |
| 1365 | K | 74 | Confident | 70.9 | Confident | 125 Ų | 125 | 78.2 Ų | 78.2 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.1 | -31.5 | 177.5 | -74.6 | 174.7 | 178.1 | 171.4 | 0 | 113.8 | Q1361 R1363 E1368 A1369 | Q1361-K1365 WeakPolarHBondContact O-CG 3.23Å; Q1361-K1365 PolarHBondContact O-N 3.26Å; Q1361-K1365 VanDerWaalsContact O-N 3.13Å; R1363-K1365 PolarHBondContact O-N 3.19Å; K1365-E1368 WeakPolarHBondContact CA-OE2 3.39Å; K1365-A1369 WeakPolarHBondContact O-CB 3.49Å; K1365-A1369 PolarHBondContact O-N 3.41Å; K1365-A1369 VanDerWaalsContact O-N 3.15Å |
| 1366 | S | 70.9 | Confident | 71.4 | Confident | 58 Ų | 58 | 79.1 Ų | 79.1 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 173.4 | -165 | 0 | 0 | 0 | 0 | 111.7 | A1362 R1363 L1364 A1369 D1370 | A1362-S1366 PolarHBondContact O-N 3.02Å; A1362-S1366 VanDerWaalsContact O-N 3.16Å; R1363-S1366 WeakPolarHBondContact O-CB 3.44Å; R1363-S1366 PolarHBondContact O-N 2.86Å; R1363-S1366 VanDerWaalsContact O-N 3.14Å; L1364-S1366 VanDerWaalsContact C-N 3.26Å; L1364-S1366 PolarHBondContact O-N 2.85Å; S1366-A1369 PolarHBondContact O-N 2.8Å; S1366-D1370 PolarHBondContact O-N 2.69Å |
| 1367 | L | 69 | Low | 72 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 178.2 | -68.6 | 170.7 | 0 | 0 | 0 | 111.8 | R1363 L1364 A1369 D1370 A1371 | R1363-L1367 HydrophobicContact CG-CD1 4.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.47Å; R1363-L1367 PolarHBondContact O-N 3.31Å; L1364-L1367 PolarHBondContact O-N 2.89Å; L1367-A1369 PolarHBondContact O-N 2.8Å; L1367-D1370 PolarHBondContact O-N 2.88Å; L1367-A1371 VanDerWaalsContact O-CB 3.32Å; L1367-A1371 WeakPolarHBondContact O-CB 3.33Å; L1367-A1371 PolarHBondContact O-N 2.88Å |
| 1368 | E | 74.3 | Confident | 72.5 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 170.8 | -70.4 | 170.6 | 160.8 | 0 | 0 | 111.1 | L1364 K1365 D1370 A1371 V1372 | L1364-E1368 WeakPolarHBondContact O-CG 3.08Å; L1364-E1368 PolarHBondContact O-N 2.81Å; K1365-E1368 WeakPolarHBondContact CA-OE2 3.39Å; E1368-D1370 VanDerWaalsContact C-N 3.32Å; E1368-D1370 PolarHBondContact O-N 2.64Å; E1368-A1371 PolarHBondContact O-N 2.74Å; E1368-V1372 WeakPolarHBondContact O-CG2 3.29Å; E1368-V1372 PolarHBondContact O-N 3.47Å |
| 1369 | A | 76.3 | Confident | 73.1 | Confident | 43 Ų | 43 | 82 Ų | 82 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1365 S1366 L1367 K1373 | K1365-A1369 WeakPolarHBondContact O-CB 3.49Å; K1365-A1369 PolarHBondContact O-N 3.41Å; K1365-A1369 VanDerWaalsContact O-N 3.15Å; S1366-A1369 PolarHBondContact O-N 2.8Å; L1367-A1369 PolarHBondContact O-N 2.8Å; A1369-K1373 WeakPolarHBondContact O-CD 3.35Å; A1369-K1373 WeakPolarHBondContact O-CE 3.33Å; A1369-K1373 VanDerWaalsContact O-CG 3.28Å; A1369-K1373 WeakPolarHBondContact O-CG 3.14Å; A1369-K1373 PolarHBondContact O-N 3.13Å |
| 1370 | D | 68.5 | Low | 73.8 | Confident | 81 Ų | 81 | 83 Ų | 83 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -80.9 | -32.8 | 174.9 | -73.8 | -32.2 | 0 | 0 | 0 | 112.7 | S1366 L1367 E1368 K1373 A1374 | S1366-D1370 PolarHBondContact O-N 2.69Å; L1367-D1370 PolarHBondContact O-N 2.88Å; E1368-D1370 VanDerWaalsContact C-N 3.32Å; E1368-D1370 PolarHBondContact O-N 2.64Å; D1370-K1373 WeakPolarHBondContact O-CB 3.49Å; D1370-K1373 PolarHBondContact O-N 3.35Å; D1370-K1373 WeakPolarHBondContact OD1-CD 3.17Å; D1370-K1373 IonicContact OD1-NZ 2.72Å; D1370-K1373 PolarHBondContact OD1-NZ 2.83Å; D1370-A1374 PolarHBondContact O-N 3.45Å |
| 1371 | A | 71.8 | Confident | 74.3 | Confident | 45 Ų | 45 | 85 Ų | 85 | 37% | 0.372 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1367 E1368 K1373 A1374 E1375 | L1367-A1371 VanDerWaalsContact O-CB 3.32Å; L1367-A1371 WeakPolarHBondContact O-CB 3.33Å; L1367-A1371 PolarHBondContact O-N 2.88Å; E1368-A1371 PolarHBondContact O-N 2.74Å; A1371-K1373 VanDerWaalsContact C-N 3.33Å; A1371-K1373 PolarHBondContact O-N 3.2Å; A1371-A1374 WeakPolarHBondContact O-CB 3.5Å; A1371-A1374 PolarHBondContact O-N 3.15Å; A1371-A1374 VanDerWaalsContact O-N 3.12Å; A1371-E1375 PolarHBondContact O-N 2.95Å |
| 1372 | V | 79.5 | Confident | 74.7 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | E1368 A1374 L1376 | E1368-V1372 WeakPolarHBondContact O-CG2 3.29Å; E1368-V1372 PolarHBondContact O-N 3.47Å; V1372-A1374 VanDerWaalsContact C-N 3.35Å; V1372-L1376 HydrophobicContact CG1-CD1 4.4Å; V1372-L1376 WeakPolarHBondContact O-CB 3.3Å; V1372-L1376 PolarHBondContact O-N 3.5Å |
| 1373 | K | 75.5 | Confident | 75.1 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 172.1 | -67.5 | 163.3 | -151.3 | 152.7 | 0 | 111.3 | A1369 D1370 A1371 L1376 V1377 | A1369-K1373 WeakPolarHBondContact O-CD 3.35Å; A1369-K1373 WeakPolarHBondContact O-CE 3.33Å; A1369-K1373 VanDerWaalsContact O-CG 3.28Å; A1369-K1373 WeakPolarHBondContact O-CG 3.14Å; A1369-K1373 PolarHBondContact O-N 3.13Å; D1370-K1373 WeakPolarHBondContact O-CB 3.49Å; D1370-K1373 PolarHBondContact O-N 3.35Å; D1370-K1373 WeakPolarHBondContact OD1-CD 3.17Å; D1370-K1373 IonicContact OD1-NZ 2.72Å; D1370-K1373 PolarHBondContact OD1-NZ 2.83Å; A1371-K1373 VanDerWaalsContact C-N 3.33Å; A1371-K1373 PolarHBondContact O-N 3.2Å; K1373-L1376 PolarHBondContact O-N 3.26Å; K1373-V1377 WeakPolarHBondContact O-CG2 3.47Å; K1373-V1377 PolarHBondContact O-N 2.87Å |
| 1374 | A | 70.4 | Confident | 75.2 | Confident | 40 Ų | 40 | 87.7 Ų | 87.7 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 D1370 A1371 V1372 L1376 V1377 M1378 | M1-A1374 HydrophobicContact CE-CB 4.13Å; D1370-A1374 PolarHBondContact O-N 3.45Å; A1371-A1374 WeakPolarHBondContact O-CB 3.5Å; A1371-A1374 PolarHBondContact O-N 3.15Å; A1371-A1374 VanDerWaalsContact O-N 3.12Å; V1372-A1374 VanDerWaalsContact C-N 3.35Å; A1374-L1376 VanDerWaalsContact C-N 3.34Å; A1374-L1376 PolarHBondContact O-N 2.96Å; A1374-V1377 PolarHBondContact O-N 3.46Å; A1374-M1378 WeakPolarHBondContact O-CG 3.46Å; A1374-M1378 PolarHBondContact O-N 3.19Å |
| 1375 | E | 79.6 | Confident | 75.3 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 173.4 | -70.5 | -163.9 | 152.3 | 0 | 0 | 111.5 | M1 A1371 V1377 M1378 E1379 | M1-E1375 WeakPolarHBondContact CA-OE1 3.4Å; M1-E1375 HydrophobicContact CE-CG 3.6Å; M1-E1375 HydrophobicContact CG-CG 3.88Å; M1-E1375 WeakPolarHBondContact CG-OE1 3.46Å; M1-E1375 PolarHBondContact N-OE1 3.02Å; A1371-E1375 PolarHBondContact O-N 2.95Å; E1375-V1377 VanDerWaalsContact C-N 3.35Å; E1375-V1377 PolarHBondContact O-N 2.69Å; E1375-M1378 HydrophobicContact CG-CE 4.27Å; E1375-M1378 PolarHBondContact O-N 3.29Å; E1375-E1379 VanDerWaalsContact O-CB 3.31Å; E1375-E1379 WeakPolarHBondContact O-CB 3.45Å; E1375-E1379 PolarHBondContact O-N 2.9Å |
| 1376 | L | 80.8 | Confident | 75.2 | Confident | 117 Ų | 117 | 86 Ų | 86 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -36 | 172.9 | -89.9 | 165.5 | 0 | 0 | 0 | 113.9 | V1372 K1373 A1374 K1380 | V1372-L1376 HydrophobicContact CG1-CD1 4.4Å; V1372-L1376 WeakPolarHBondContact O-CB 3.3Å; V1372-L1376 PolarHBondContact O-N 3.5Å; K1373-L1376 PolarHBondContact O-N 3.26Å; A1374-L1376 VanDerWaalsContact C-N 3.34Å; A1374-L1376 PolarHBondContact O-N 2.96Å; L1376-K1380 WeakPolarHBondContact O-CB 3.43Å; L1376-K1380 PolarHBondContact O-N 2.83Å |
| 1377 | V | 77.7 | Confident | 75 | Confident | 94 Ų | 94 | 86.4 Ų | 86.4 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.8 | -45 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | K1373 A1374 E1375 K1380 V1381 | K1373-V1377 WeakPolarHBondContact O-CG2 3.47Å; K1373-V1377 PolarHBondContact O-N 2.87Å; A1374-V1377 PolarHBondContact O-N 3.46Å; E1375-V1377 VanDerWaalsContact C-N 3.35Å; E1375-V1377 PolarHBondContact O-N 2.69Å; V1377-K1380 WeakPolarHBondContact O-CB 3.41Å; V1377-K1380 PolarHBondContact O-N 2.81Å; V1377-V1381 HydrophobicContact CG1-CG2 4.47Å; V1377-V1381 WeakPolarHBondContact O-CG2 3.38Å; V1377-V1381 PolarHBondContact O-N 2.88Å |
| 1378 | M | 74.5 | Confident | 74.5 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.6 | -70.6 | -171 | -64.5 | 0 | 0 | 112.4 | M1 A1374 E1375 K1380 V1381 R1382 | M1-M1378 HydrophobicContact CE-CE 3.57Å; M1-M1378 HydrophobicContact CG-CE 4.27Å; M1-M1378 HydrophobicContact SD-CE 3.79Å; A1374-M1378 WeakPolarHBondContact O-CG 3.46Å; A1374-M1378 PolarHBondContact O-N 3.19Å; E1375-M1378 HydrophobicContact CG-CE 4.27Å; E1375-M1378 PolarHBondContact O-N 3.29Å; M1378-K1380 PolarHBondContact O-N 2.84Å; M1378-V1381 PolarHBondContact O-N 2.97Å; M1378-R1382 WeakPolarHBondContact O-CB 3.45Å; M1378-R1382 PolarHBondContact O-N 3.2Å |
| 1379 | E | 80.7 | Confident | 73.6 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 31% | 0.308 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -31.7 | 174.5 | 178.2 | 61.8 | -173 | 0 | 0 | 112 | E1375 R1382 K1383 | E1375-E1379 VanDerWaalsContact O-CB 3.31Å; E1375-E1379 WeakPolarHBondContact O-CB 3.45Å; E1375-E1379 PolarHBondContact O-N 2.9Å; E1379-R1382 IonicContact OE1-CZ 2.68Å; E1379-R1382 IonicContact OE1-NH2 3.49Å; E1379-R1382 PolarHBondContact OE1-NH2 3.34Å; E1379-R1382 IonicContact OE2-CZ 3.96Å; E1379-R1382 VanDerWaalsContact OE2-CZ 3.28Å; E1379-R1382 IonicContact OE2-NE 3.56Å; E1379-R1382 PolarHBondContact OE2-NE 3.28Å; E1379-R1382 IonicContact OE2-NH2 3.63Å; E1379-R1382 PolarHBondContact OE2-NH2 3.26Å; E1379-K1383 WeakPolarHBondContact O-CG 3.37Å; E1379-K1383 PolarHBondContact O-N 2.9Å; E1379-K1383 VanDerWaalsContact OE1-CE 3.23Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.44Å; E1379-K1383 IonicContact OE1-NZ 2.83Å; E1379-K1383 PolarHBondContact OE1-NZ 3.2Å |
| 1380 | K | 80.8 | Confident | 72.6 | Confident | 146 Ų | 146 | 91.8 Ų | 91.8 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -76.2 | -36.5 | 174.3 | -170.1 | 169.1 | -174.9 | 171.3 | 0 | 113 | L1376 V1377 M1378 L1384 | L1376-K1380 WeakPolarHBondContact O-CB 3.43Å; L1376-K1380 PolarHBondContact O-N 2.83Å; V1377-K1380 WeakPolarHBondContact O-CB 3.41Å; V1377-K1380 PolarHBondContact O-N 2.81Å; M1378-K1380 PolarHBondContact O-N 2.84Å; K1380-L1384 WeakPolarHBondContact O-CG 3.28Å; K1380-L1384 PolarHBondContact O-N 3.44Å; K1380-L1384 VanDerWaalsContact O-N 3.14Å |
| 1381 | V | 78.2 | Confident | 71.9 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 172.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | V1377 M1378 K1383 L1384 T1385 | V1377-V1381 HydrophobicContact CG1-CG2 4.47Å; V1377-V1381 WeakPolarHBondContact O-CG2 3.38Å; V1377-V1381 PolarHBondContact O-N 2.88Å; M1378-V1381 PolarHBondContact O-N 2.97Å; V1381-K1383 PolarHBondContact O-N 3.27Å; V1381-L1384 WeakPolarHBondContact O-CB 3.27Å; V1381-L1384 PolarHBondContact O-N 2.77Å; V1381-L1384 VanDerWaalsContact O-N 3.12Å; V1381-T1385 PolarHBondContact O-N 3.21Å; V1381-T1385 PolarHBondContact O-OG1 3.33Å |
| 1382 | R | 78.3 | Confident | 70.5 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 174.9 | -175.5 | 174.7 | 72.5 | 93.5 | -5.8 | 111.6 | M1378 E1379 L1384 T1385 E1386 | M1378-R1382 WeakPolarHBondContact O-CB 3.45Å; M1378-R1382 PolarHBondContact O-N 3.2Å; E1379-R1382 IonicContact OE1-CZ 2.68Å; E1379-R1382 IonicContact OE1-NH2 3.49Å; E1379-R1382 PolarHBondContact OE1-NH2 3.34Å; E1379-R1382 IonicContact OE2-CZ 3.96Å; E1379-R1382 VanDerWaalsContact OE2-CZ 3.28Å; E1379-R1382 IonicContact OE2-NE 3.56Å; E1379-R1382 PolarHBondContact OE2-NE 3.28Å; E1379-R1382 IonicContact OE2-NH2 3.63Å; E1379-R1382 PolarHBondContact OE2-NH2 3.26Å; R1382-L1384 VanDerWaalsContact C-N 3.27Å; R1382-L1384 PolarHBondContact O-N 2.78Å; R1382-T1385 WeakPolarHBondContact CA-OG1 3.22Å; R1382-T1385 PolarHBondContact O-N 2.82Å; R1382-T1385 VanDerWaalsContact O-N 3.16Å; R1382-T1385 PolarHBondContact O-OG1 2.84Å; R1382-E1386 HydrophobicContact CG-CG 4.43Å; R1382-E1386 VanDerWaalsContact CG-OE1 3.32Å; R1382-E1386 WeakPolarHBondContact CG-OE1 3.41Å; R1382-E1386 IonicContact CZ-OE1 2.97Å; R1382-E1386 IonicContact NE-OE1 3.26Å; R1382-E1386 IonicContact NH1-OE1 2.7Å; R1382-E1386 PolarHBondContact NH1-OE1 2.82Å; R1382-E1386 IonicContact NH1-OE2 3.49Å; R1382-E1386 PolarHBondContact NH1-OE2 2.96Å; R1382-E1386 WeakPolarHBondContact O-CB 3.42Å; R1382-E1386 WeakPolarHBondContact O-CG 3.41Å; R1382-E1386 PolarHBondContact O-N 2.77Å |
| 1383 | K | 77.3 | Confident | 68.5 | Low | 108 Ų | 108 | 106.3 Ų | 106.3 | 47% | 0.47 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -29.4 | 176 | -79 | 166.4 | 170.3 | 152.3 | 0 | 113.9 | E1379 V1381 S1387 | E1379-K1383 WeakPolarHBondContact O-CG 3.37Å; E1379-K1383 PolarHBondContact O-N 2.9Å; E1379-K1383 VanDerWaalsContact OE1-CE 3.23Å; E1379-K1383 WeakPolarHBondContact OE1-CE 3.44Å; E1379-K1383 IonicContact OE1-NZ 2.83Å; E1379-K1383 PolarHBondContact OE1-NZ 3.2Å; V1381-K1383 PolarHBondContact O-N 3.27Å; K1383-S1387 VanDerWaalsContact O-CB 3.32Å; K1383-S1387 WeakPolarHBondContact O-CB 3.46Å; K1383-S1387 PolarHBondContact O-N 2.96Å; K1383-S1387 PolarHBondContact O-OG 3.27Å |
| 1384 | L | 72.9 | Confident | 68.2 | Low | 101 Ų | 101 | 106.1 Ų | 106.1 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.6 | -33.9 | 174.1 | -75 | 164.6 | 0 | 0 | 0 | 112.6 | K1380 V1381 R1382 N1388 | K1380-L1384 WeakPolarHBondContact O-CG 3.28Å; K1380-L1384 PolarHBondContact O-N 3.44Å; K1380-L1384 VanDerWaalsContact O-N 3.14Å; V1381-L1384 WeakPolarHBondContact O-CB 3.27Å; V1381-L1384 PolarHBondContact O-N 2.77Å; V1381-L1384 VanDerWaalsContact O-N 3.12Å; R1382-L1384 VanDerWaalsContact C-N 3.27Å; R1382-L1384 PolarHBondContact O-N 2.78Å; L1384-N1388 PolarHBondContact O-N 2.95Å |
| 1385 | T | 70.5 | Confident | 68.1 | Low | 72 Ų | 72 | 109.5 Ų | 109.5 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.8 | -48.3 | 172.1 | 20 | 0 | 0 | 0 | 0 | 110.9 | V1381 R1382 S1387 N1388 E1389 | V1381-T1385 PolarHBondContact O-N 3.21Å; V1381-T1385 PolarHBondContact O-OG1 3.33Å; R1382-T1385 WeakPolarHBondContact CA-OG1 3.22Å; R1382-T1385 PolarHBondContact O-N 2.82Å; R1382-T1385 VanDerWaalsContact O-N 3.16Å; R1382-T1385 PolarHBondContact O-OG1 2.84Å; T1385-S1387 PolarHBondContact O-N 2.96Å; T1385-N1388 PolarHBondContact O-N 2.7Å; T1385-E1389 PolarHBondContact O-N 3.03Å |
| 1386 | E | 72.1 | Confident | 67.4 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 35% | 0.346 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.7 | -33.6 | 174.3 | -70.3 | 167.9 | 175.5 | 0 | 0 | 112.4 | R1382 N1390 | R1382-E1386 HydrophobicContact CG-CG 4.43Å; R1382-E1386 VanDerWaalsContact CG-OE1 3.32Å; R1382-E1386 WeakPolarHBondContact CG-OE1 3.41Å; R1382-E1386 IonicContact CZ-OE1 2.97Å; R1382-E1386 IonicContact NE-OE1 3.26Å; R1382-E1386 IonicContact NH1-OE1 2.7Å; R1382-E1386 PolarHBondContact NH1-OE1 2.82Å; R1382-E1386 IonicContact NH1-OE2 3.49Å; R1382-E1386 PolarHBondContact NH1-OE2 2.96Å; R1382-E1386 WeakPolarHBondContact O-CB 3.42Å; R1382-E1386 WeakPolarHBondContact O-CG 3.41Å; R1382-E1386 PolarHBondContact O-N 2.77Å; E1386-N1390 PolarHBondContact O-N 3.2Å; E1386-N1390 PolarHBondContact O-ND2 2.98Å |
| 1387 | S | 67.1 | Low | 66.6 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.6 | -32.8 | 175 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | K1383 T1385 | K1383-S1387 VanDerWaalsContact O-CB 3.32Å; K1383-S1387 WeakPolarHBondContact O-CB 3.46Å; K1383-S1387 PolarHBondContact O-N 2.96Å; K1383-S1387 PolarHBondContact O-OG 3.27Å; T1385-S1387 PolarHBondContact O-N 2.96Å |
| 1388 | N | 58.3 | Low | 65.9 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.4 | -34.6 | 178.9 | -78.1 | -1.9 | 0 | 0 | 0 | 112.2 | L1384 T1385 N1390 L1391 Q1392 | L1384-N1388 PolarHBondContact O-N 2.95Å; T1385-N1388 PolarHBondContact O-N 2.7Å; N1388-N1390 VanDerWaalsContact C-N 3.34Å; N1388-L1391 PolarHBondContact O-N 3.2Å; N1388-L1391 VanDerWaalsContact O-N 3.07Å; N1388-Q1392 PolarHBondContact O-N 3Å |
| 1389 | E | 54.8 | Low | 65.4 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.4 | -37.7 | 176.2 | -70.7 | 175.4 | 168.3 | 0 | 0 | 111.3 | T1385 L1391 Q1392 | T1385-E1389 PolarHBondContact O-N 3.03Å; E1389-L1391 PolarHBondContact O-N 3.21Å; E1389-Q1392 PolarHBondContact O-N 2.83Å |
| 1390 | N | 56.3 | Low | 64.3 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 9.1 | 171.8 | -71.5 | -82.2 | 0 | 0 | 0 | 114.2 | E1386 N1388 | E1386-N1390 PolarHBondContact O-N 3.2Å; E1386-N1390 PolarHBondContact O-ND2 2.98Å; N1388-N1390 VanDerWaalsContact C-N 3.34Å |
| 1391 | L | 52.5 | Low | 63 | Low | 139 Ų | 139 | 113.8 Ų | 113.8 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 6.4 | 169.7 | -77.9 | 166.8 | 0 | 0 | 0 | 112.2 | N1388 E1389 | N1388-L1391 PolarHBondContact O-N 3.2Å; N1388-L1391 VanDerWaalsContact O-N 3.07Å; E1389-L1391 PolarHBondContact O-N 3.21Å |
| 1392 | Q | 42.6 | Very low | 61.7 | Low | 173 Ų | 173 | 116.2 Ų | 116.2 | 81% | 0.808 | 59% | 0.586 | S | S | * | * | trans | -119.6 | 8.7 | 173.6 | -65.8 | -173.2 | -22.8 | 0 | 0 | 112.4 | N1388 E1389 | N1388-Q1392 PolarHBondContact O-N 3Å; E1389-Q1392 PolarHBondContact O-N 2.83Å | ||
| 1393 | L | 38.2 | Very low | 60.2 | Low | 205 Ų | 205 | 116.4 Ų | 116.4 | 100% | 1.073 | 60% | 0.601 | S | S | * | * | trans | -118 | 0 | 171.7 | -72.3 | 169.1 | 0 | 0 | 0 | 109.3 |
Retrieved 1,393 of 1,393 residues in 275 ms
(Link to these results)