| 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 | 37.5 | Very low | 51.5 | Low | 208 Ų | 208 | 163.6 Ų | 163.6 | 100% | 1.025 | 78% | 0.779 | S | S | * | * | 0 | 174.4 | 0 | -74.1 | 64.3 | 172.1 | 0 | 0 | 108.9 | |||||
| 2 | E | 40.2 | Very low | 52.9 | Low | 153 Ų | 153 | 154.8 Ų | 154.8 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 59.6 | 39.9 | 175.4 | -65.6 | 64.6 | -110.9 | 0 | 0 | 119.5 | Y4 | E2-Y4 PolarHBondContact O-N 3.47Å; E2-Y4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | S | 45.7 | Very low | 53.8 | Low | 127 Ų | 127 | 146.5 Ų | 146.5 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | -83.5 | 43.4 | 163.4 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | G5 | S3-G5 PolarHBondContact O-N 3.45Š| ||
| 4 | Y | 46.8 | Very low | 54.2 | Low | 202 Ų | 202 | 144.8 Ų | 144.8 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -72.2 | 82.2 | 170.4 | -73.8 | -72.1 | 0 | 0 | 0 | 109.6 | E2 R6 | E2-Y4 PolarHBondContact O-N 3.47Å; E2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-R6 PolarHBondContact O-N 3.18Å; Y4-R6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | G | 47.3 | Very low | 54.6 | Low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | -49.7 | 122.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S3 K7 | S3-G5 PolarHBondContact O-N 3.45Å; G5-K7 PolarHBondContact O-N 3.17Å | ||
| 6 | R | 49.9 | Very low | 54.8 | Low | 237 Ų | 237 | 145 Ų | 145 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | trans | -42 | 107.7 | -179.2 | -75.1 | -168.5 | -76.1 | -161.5 | -4.9 | 109.3 | Y4 R8 | Y4-R6 PolarHBondContact O-N 3.18Å; Y4-R6 VanDerWaalsContact O-N 3.16Å; R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 WeakPolarHBondContact O-CG 3.24Å; R6-R8 PolarHBondContact O-N 3Å | ||
| 7 | K | 53.8 | Low | 55.3 | Low | 149 Ų | 149 | 140.9 Ų | 140.9 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 94.3 | -172.4 | -61.2 | -173.7 | -174.6 | 177.9 | 0 | 107.8 | G5 A9 F80 | G5-K7 PolarHBondContact O-N 3.17Å; K7-A9 PolarHBondContact O-N 3.36Å; K7-F80 HydrophobicContact CB-CZ 4.49Å; K7-F80 HydrophobicContact CD-CD2 4.35Å; K7-F80 HydrophobicContact CD-CE2 3.37Å; K7-F80 HydrophobicContact CD-CZ 3.8Å | ||
| 8 | R | 56 | Low | 56.1 | Low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 72% | 0.724 | S | S | * | * | trans | -60.9 | 123.3 | -168.8 | -66.7 | -172 | -180 | -151.1 | 1.4 | 108.1 | R6 W10 | R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 WeakPolarHBondContact O-CG 3.24Å; R6-R8 PolarHBondContact O-N 3Å; R8-W10 PolarHBondContact O-N 3.47Å; R8-W10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | A | 58.9 | Low | 57.3 | Low | 84 Ų | 84 | 138.5 Ų | 138.5 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | trans | -50.6 | 121.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108 | K7 K11 | K7-A9 PolarHBondContact O-N 3.36Å; A9-K11 PolarHBondContact O-N 3.05Å | ||
| 10 | W | 65.8 | Low | 58.6 | Low | 158 Ų | 158 | 131.9 Ų | 131.9 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | trans | -65.2 | 102.9 | -178.2 | 173.1 | -86.1 | 0 | 0 | 0 | 108.3 | R8 R29 | R8-W10 PolarHBondContact O-N 3.47Å; R8-W10 VanDerWaalsContact O-N 3.08Å; W10-R29 HydrophobicContact CB-CG 4.49Å; W10-R29 HydrophobicContact CD2-CB 4.37Å; W10-R29 HydrophobicContact CD2-CG 3.54Å; W10-R29 HydrophobicContact CE3-CG 3.93Å; W10-R29 HydrophobicContact CG-CB 4.17Å; W10-R29 HydrophobicContact CG-CG 3.78Å; W10-R29 HydrophobicContact CH2-CG 4.44Å; W10-R29 HydrophobicContact CZ2-CG 4.12Å; W10-R29 HydrophobicContact CZ3-CG 4.35Å | ||
| 11 | K | 64.4 | Low | 59.8 | Low | 186 Ų | 186 | 130.7 Ų | 130.7 | 81% | 0.809 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 116.1 | 168 | -66.6 | -161.8 | 174.3 | -163.7 | 0 | 107.7 | A9 G13 | A9-K11 PolarHBondContact O-N 3.05Å; K11-G13 PolarHBondContact O-N 3.15Å; K11-G13 VanDerWaalsContact O-N 3.15Å |
| 12 | K | 68.8 | Low | 62.1 | Low | 58 Ų | 58 | 125.7 Ų | 125.7 | 25% | 0.252 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 118.5 | 169 | -167.4 | 174.4 | -172 | 177.2 | 0 | 107.3 | T15 N23 C26 | K12-T15 HydrophobicContact CD-CG2 4.46Å; K12-T15 HydrophobicContact CG-CG2 4.19Å; K12-N23 PolarHBondContact NZ-O 3.33Å; K12-N23 PolarHBondContact NZ-OD1 2.94Å; K12-C26 WeakPolarHBondContact CD-O 3.47Å; K12-C26 WeakPolarHBondContact CE-O 3.42Å; K12-C26 PolarHBondContact NZ-O 2.98Å |
| 13 | G | 64.4 | Low | 64.3 | Low | 47 Ų | 47 | 118.9 Ų | 118.9 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 158.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K11 T15 | K11-G13 PolarHBondContact O-N 3.15Å; K11-G13 VanDerWaalsContact O-N 3.15Å; G13-T15 WeakPolarHBondContact O-CG2 3.27Å; G13-T15 PolarHBondContact O-N 2.92Å |
| 14 | P | 59.6 | Low | 66 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 79% | 0.792 | 60% | 0.602 | S | S | * | * | trans | -59.1 | 98.3 | -177.6 | -23.6 | 34.1 | 0 | 0 | 0 | 112 | R16 | P14-R16 PolarHBondContact O-N 3.31Š| ||
| 15 | T | 59.4 | Low | 67.8 | Low | 55 Ų | 55 | 111.2 Ų | 111.2 | 34% | 0.337 | 60% | 0.597 | S | S | . | * | trans | -80.3 | 51.2 | -179 | 53.1 | 0 | 0 | 0 | 0 | 112 | K12 G13 G17 | K12-T15 HydrophobicContact CD-CG2 4.46Å; K12-T15 HydrophobicContact CG-CG2 4.19Å; G13-T15 WeakPolarHBondContact O-CG2 3.27Å; G13-T15 PolarHBondContact O-N 2.92Å; T15-G17 PolarHBondContact O-N 3.4Å | ||
| 16 | R | 57.7 | Low | 69.7 | Low | 238 Ų | 238 | 108.8 Ų | 108.8 | 90% | 0.898 | 57% | 0.571 | S | S | * | * | trans | -78.7 | 113.8 | 170.1 | -61.2 | -166.1 | -144.7 | -175.2 | 7.3 | 109.3 | P14 | P14-R16 PolarHBondContact O-N 3.31Š| ||
| 17 | G | 63.1 | Low | 71.5 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 78% | 0.784 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 114.9 | -2.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | T15 | T15-G17 PolarHBondContact O-N 3.4Š|
| 18 | K | 69.7 | Low | 73.4 | Confident | 210 Ų | 210 | 101.5 Ų | 101.5 | 91% | 0.913 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -141.4 | 43.9 | -178.6 | -62.7 | -172 | -179.6 | -177.2 | 0 | 114.7 | ||
| 19 | G | 80.5 | Confident | 75.1 | Confident | 25 Ų | 25 | 92 Ų | 92 | 26% | 0.258 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -161.5 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q33 | G19-Q33 VanDerWaalsContact CA-O 3.27Å; G19-Q33 WeakPolarHBondContact CA-O 3.45Å |
| 20 | G | 83.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 88.7 Ų | 88.7 | 6% | 0.062 | 49% | 0.486 | C | S | . | . | trans | -65.3 | 164.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q22 N23 Q33 R34 | G20-Q22 VanDerWaalsContact C-N 3.31Å; G20-Q22 PolarHBondContact O-N 3.41Å; G20-N23 WeakPolarHBondContact O-CB 3.37Å; G20-N23 PolarHBondContact O-N 3.08Å; G20-Q33 VanDerWaalsContact CA-OE1 3.31Å; G20-Q33 PolarHBondContact N-O 3Å; G20-Q33 PolarHBondContact O-OE1 3.46Å; G20-R34 VanDerWaalsContact CA-O 3.3Å; G20-R34 WeakPolarHBondContact CA-O 3.39Å; G20-R34 PolarHBondContact N-O 3.42Å | ||
| 21 | P | 82.7 | Confident | 78 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 70% | 0.695 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -61.3 | -32.7 | -170.5 | 18.5 | -27.5 | 0 | 0 | 0 | 114.1 | N23 | P21-N23 VanDerWaalsContact C-N 3.33Š|
| 22 | Q | 85.6 | Confident | 79.4 | Confident | 103 Ų | 103 | 77 Ų | 77 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -83 | -5 | 177.8 | -63.7 | 78.7 | 27.1 | 0 | 0 | 113.5 | G20 A24 A25 C26 Q33 W39 | G20-Q22 VanDerWaalsContact C-N 3.31Å; G20-Q22 PolarHBondContact O-N 3.41Å; Q22-A24 PolarHBondContact O-N 3.02Å; Q22-A25 PolarHBondContact O-N 3.33Å; Q22-A25 VanDerWaalsContact O-N 3.11Å; Q22-C26 PolarHBondContact O-N 3.26Å; Q22-Q33 VanDerWaalsContact OE1-OE1 3.14Å; Q22-W39 HydrophobicContact CB-CH2 3.81Å; Q22-W39 HydrophobicContact CB-CZ2 3.69Å |
| 23 | N | 86.3 | Confident | 80.6 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.053 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -60.8 | -29.8 | -178.4 | -168.7 | 30.9 | 0 | 0 | 0 | 113.1 | K12 G20 P21 Q33 | K12-N23 PolarHBondContact NZ-O 3.33Å; K12-N23 PolarHBondContact NZ-OD1 2.94Å; G20-N23 WeakPolarHBondContact O-CB 3.37Å; G20-N23 PolarHBondContact O-N 3.08Å; P21-N23 VanDerWaalsContact C-N 3.33Å; N23-Q33 HydrophobicContact CB-CB 3.94Å; N23-Q33 PolarHBondContact OD1-N 2.93Å |
| 24 | A | 82.5 | Confident | 81.9 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 69% | 0.694 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -70.1 | -30.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q22 | Q22-A24 PolarHBondContact O-N 3.02Š|
| 25 | A | 84.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 69% | 0.694 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -15.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q22 E27 | Q22-A25 PolarHBondContact O-N 3.33Å; Q22-A25 VanDerWaalsContact O-N 3.11Å; A25-E27 PolarHBondContact O-N 3.49Å |
| 26 | C | 86.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 85.4 Ų | 85.4 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | trans | -79.1 | 112.5 | 180 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | K12 Q22 W39 | K12-C26 WeakPolarHBondContact CD-O 3.47Å; K12-C26 WeakPolarHBondContact CE-O 3.42Å; K12-C26 PolarHBondContact NZ-O 2.98Å; Q22-C26 PolarHBondContact O-N 3.26Å; C26-W39 HydrophobicContact CB-CH2 3.58Å; C26-W39 HydrophobicContact CB-CZ3 3.43Å; C26-W39 VanDerWaalsContact CB-CZ3 3.43Å | ||
| 27 | E | 88.5 | Confident | 86.5 | Confident | 171 Ų | 171 | 75.5 Ų | 75.5 | 80% | 0.799 | 42% | 0.417 | S | S | * | . | trans | -87.7 | -14.7 | -178.9 | -58.1 | -170.9 | 165.4 | 0 | 0 | 113.9 | A25 | A25-E27 PolarHBondContact O-N 3.49Š| ||
| 28 | Y | 92.6 | Very high | 88 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | trans | -62.5 | 135 | -174 | -54.4 | -49.8 | 0 | 0 | 0 | 113.6 | A60 E61 A64 N82 L83 | Y28-A60 HydrophobicContact CD2-CB 4.01Å; Y28-A60 WeakPolarHBondContact CD2-O 3.42Å; Y28-A60 HydrophobicContact CE2-CB 3.94Å; Y28-E61 HydrophobicContact CE2-CG 4.22Å; Y28-A64 HydrophobicContact CD1-CB 4.04Å; Y28-A64 HydrophobicContact CD2-CB 3.74Å; Y28-A64 HydrophobicContact CE2-CB 4.28Å; Y28-A64 HydrophobicContact CG-CB 3.62Å; Y28-N82 HydrophobicContact CD1-CB 3.96Å; Y28-L83 HydrophobicContact CE1-CD2 3.76Å | ||
| 29 | R | 91.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 137.5 | 176.3 | -172.2 | 170.3 | 91.5 | -126.1 | -1.3 | 110.4 | W10 V31 Y67 F80 N82 | W10-R29 HydrophobicContact CB-CG 4.49Å; W10-R29 HydrophobicContact CD2-CB 4.37Å; W10-R29 HydrophobicContact CD2-CG 3.54Å; W10-R29 HydrophobicContact CE3-CG 3.93Å; W10-R29 HydrophobicContact CG-CB 4.17Å; W10-R29 HydrophobicContact CG-CG 3.78Å; W10-R29 HydrophobicContact CH2-CG 4.44Å; W10-R29 HydrophobicContact CZ2-CG 4.12Å; W10-R29 HydrophobicContact CZ3-CG 4.35Å; R29-V31 PolarHBondContact O-N 2.96Å; R29-Y67 HydrophobicContact CB-CE1 4.13Å; R29-Y67 HydrophobicContact CG-CE1 4.05Å; R29-Y67 PolarHBondContact NE-OH 3.41Å; R29-Y67 PolarHBondContact NH2-OH 3Å; R29-Y67 VanDerWaalsContact O-CD1 3.32Å; R29-Y67 WeakPolarHBondContact O-CD1 3.32Å; R29-F80 PolarHBondContact NH1-O 3.12Å; R29-F80 PolarHBondContact NH2-O 3.06Å; R29-N82 VanDerWaalsContact CB-OD1 3.26Å; R29-N82 WeakPolarHBondContact CB-OD1 3Å; R29-N82 PolarHBondContact N-OD1 2.72Å; R29-N82 PolarHBondContact O-ND2 3.42Å |
| 30 | G | 92.6 | Very high | 89.9 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | -4.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A41 E42 | G30-A41 WeakPolarHBondContact O-CA 3.29Å; G30-E42 WeakPolarHBondContact CA-O 3.17Å; G30-E42 PolarHBondContact O-N 2.9Å |
| 31 | V | 94.2 | Very high | 90.5 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.5 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | R29 W39 V40 A63 A64 | R29-V31 PolarHBondContact O-N 2.96Å; V31-W39 HydrophobicContact CG1-CD2 4.5Å; V31-W39 HydrophobicContact CG1-CE3 3.61Å; V31-W39 HydrophobicContact CG1-CZ3 4.19Å; V31-V40 WeakPolarHBondContact CA-O 3.48Å; V31-A63 HydrophobicContact CB-CB 4.44Å; V31-A63 HydrophobicContact CG1-CB 3.75Å; V31-A63 HydrophobicContact CG2-CB 3.85Å; V31-A64 HydrophobicContact CG2-CB 4.16Å |
| 32 | R | 93.2 | Very high | 91.1 | Very high | 92 Ų | 92 | 62.6 Ų | 62.6 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.1 | 172.5 | 62.9 | 178.7 | 174.5 | 94.1 | -1.8 | 111.2 | V40 E42 | R32-V40 HydrophobicContact CG-CB 4.2Å; R32-V40 PolarHBondContact N-O 3.27Å; R32-V40 PolarHBondContact O-N 3.37Å; R32-E42 IonicContact CZ-OE2 3.49Å; R32-E42 VanDerWaalsContact CZ-OE2 3.24Å; R32-E42 IonicContact NE-OE2 3.48Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE2 2.74Å; R32-E42 PolarHBondContact NH2-OE2 3.48Å |
| 33 | Q | 94.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.3 | 171.5 | -151.6 | -174.6 | 21.3 | 0 | 0 | 110.8 | G19 G20 Q22 N23 G37 W39 | G19-Q33 VanDerWaalsContact CA-O 3.27Å; G19-Q33 WeakPolarHBondContact CA-O 3.45Å; G20-Q33 VanDerWaalsContact CA-OE1 3.31Å; G20-Q33 PolarHBondContact N-O 3Å; G20-Q33 PolarHBondContact O-OE1 3.46Å; Q22-Q33 VanDerWaalsContact OE1-OE1 3.14Å; N23-Q33 HydrophobicContact CB-CB 3.94Å; N23-Q33 PolarHBondContact OD1-N 2.93Å; Q33-G37 VanDerWaalsContact CG-O 3.25Å; Q33-G37 WeakPolarHBondContact CG-O 3.39Å; Q33-G37 PolarHBondContact NE2-O 3.17Å; Q33-W39 HydrophobicContact CB-CD2 4.29Å; Q33-W39 HydrophobicContact CB-CE3 3.86Å; Q33-W39 HydrophobicContact CB-CH2 4.09Å; Q33-W39 HydrophobicContact CB-CZ2 4.48Å; Q33-W39 HydrophobicContact CB-CZ3 3.76Å; Q33-W39 HydrophobicContact CG-CD2 4.07Å; Q33-W39 HydrophobicContact CG-CE3 4.17Å; Q33-W39 HydrophobicContact CG-CH2 4.32Å; Q33-W39 HydrophobicContact CG-CZ2 4.22Å; Q33-W39 HydrophobicContact CG-CZ3 4.3Å |
| 34 | R | 92.5 | Very high | 91.9 | Very high | 127 Ų | 127 | 63.5 Ų | 63.5 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | trans | -74.5 | 160.9 | 169.7 | -162.2 | 179.8 | -66.6 | -154.2 | 1.9 | 109.6 | G20 W36 G37 K38 | G20-R34 VanDerWaalsContact CA-O 3.3Å; G20-R34 WeakPolarHBondContact CA-O 3.39Å; G20-R34 PolarHBondContact N-O 3.42Å; R34-W36 HydrophobicContact CG-CB 4.45Å; R34-W36 PolarHBondContact O-N 3.13Å; R34-G37 PolarHBondContact O-N 2.84Å; R34-K38 PolarHBondContact N-O 2.86Å | ||
| 35 | T | 91.1 | Very high | 92.1 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 73% | 0.73 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.1 | 170.2 | 45.6 | 0 | 0 | 0 | 0 | 113 | G37 | T35-G37 PolarHBondContact O-N 2.96Å; T35-G37 VanDerWaalsContact O-N 3.16Å |
| 36 | W | 89.1 | Confident | 92.1 | Very high | 205 Ų | 205 | 60.6 Ų | 60.6 | 78% | 0.777 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 1.6 | 170.9 | -173.5 | -112.3 | 0 | 0 | 0 | 114.9 | R34 K38 | R34-W36 HydrophobicContact CG-CB 4.45Å; R34-W36 PolarHBondContact O-N 3.13Å; W36-K38 PolarHBondContact O-N 2.82Å; W36-K38 VanDerWaalsContact O-N 3.09Å |
| 37 | G | 91.7 | Very high | 92.1 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 80.2 | -21.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q33 R34 T35 | Q33-G37 VanDerWaalsContact CG-O 3.25Å; Q33-G37 WeakPolarHBondContact CG-O 3.39Å; Q33-G37 PolarHBondContact NE2-O 3.17Å; R34-G37 PolarHBondContact O-N 2.84Å; T35-G37 PolarHBondContact O-N 2.96Å; T35-G37 VanDerWaalsContact O-N 3.16Å |
| 38 | K | 94.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | trans | -64.3 | 141.6 | 173.5 | -67.6 | -69.5 | -176.6 | 179.9 | 0 | 112.2 | R34 W36 | R34-K38 PolarHBondContact N-O 2.86Å; W36-K38 PolarHBondContact O-N 2.82Å; W36-K38 VanDerWaalsContact O-N 3.09Å | ||
| 39 | W | 95.6 | Very high | 91.9 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 147.1 | 172.1 | -62.9 | 93.5 | 0 | 0 | 0 | 110.2 | Q22 C26 V31 Q33 S56 F57 A58 A60 A63 | Q22-W39 HydrophobicContact CB-CH2 3.81Å; Q22-W39 HydrophobicContact CB-CZ2 3.69Å; C26-W39 HydrophobicContact CB-CH2 3.58Å; C26-W39 HydrophobicContact CB-CZ3 3.43Å; C26-W39 VanDerWaalsContact CB-CZ3 3.43Å; V31-W39 HydrophobicContact CG1-CD2 4.5Å; V31-W39 HydrophobicContact CG1-CE3 3.61Å; V31-W39 HydrophobicContact CG1-CZ3 4.19Å; Q33-W39 HydrophobicContact CB-CD2 4.29Å; Q33-W39 HydrophobicContact CB-CE3 3.86Å; Q33-W39 HydrophobicContact CB-CH2 4.09Å; Q33-W39 HydrophobicContact CB-CZ2 4.48Å; Q33-W39 HydrophobicContact CB-CZ3 3.76Å; Q33-W39 HydrophobicContact CG-CD2 4.07Å; Q33-W39 HydrophobicContact CG-CE3 4.17Å; Q33-W39 HydrophobicContact CG-CH2 4.32Å; Q33-W39 HydrophobicContact CG-CZ2 4.22Å; Q33-W39 HydrophobicContact CG-CZ3 4.3Å; W39-S56 CarbonylContact O-C 3.42Å; W39-S56 WeakPolarHBondContact O-CA 3.42Å; W39-F57 HydrophobicContact CB-CB 4.4Å; W39-F57 PolarHBondContact N-O 3.35Å; W39-F57 VanDerWaalsContact N-O 3.16Å; W39-F57 PolarHBondContact O-N 3.14Å; W39-A58 VanDerWaalsContact CD1-O 3.32Å; W39-A60 HydrophobicContact CD2-CB 3.85Å; W39-A60 HydrophobicContact CE3-CB 3.99Å; W39-A60 HydrophobicContact CG-CB 4.5Å; W39-A60 HydrophobicContact CH2-CB 4.03Å; W39-A60 HydrophobicContact CZ2-CB 3.89Å; W39-A60 HydrophobicContact CZ3-CB 4.08Å; W39-A63 HydrophobicContact CB-CB 4.06Å |
| 40 | V | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.6 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | V31 R32 | V31-V40 WeakPolarHBondContact CA-O 3.48Å; R32-V40 HydrophobicContact CG-CB 4.2Å; R32-V40 PolarHBondContact N-O 3.27Å; R32-V40 PolarHBondContact O-N 3.37Å |
| 41 | A | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G30 L54 G55 F57 A63 | G30-A41 WeakPolarHBondContact O-CA 3.29Å; A41-L54 HydrophobicContact CB-CB 4.1Å; A41-L54 HydrophobicContact CB-CD1 4.2Å; A41-L54 WeakPolarHBondContact O-CB 3.31Å; A41-L54 PolarHBondContact O-N 2.87Å; A41-G55 PolarHBondContact N-O 3.16Å; A41-F57 HydrophobicContact CB-CD2 4.25Å; A41-F57 HydrophobicContact CB-CE2 3.78Å; A41-A63 HydrophobicContact CB-CB 4.23Å; A41-A63 WeakPolarHBondContact CB-O 3.26Å |
| 42 | E | 95.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 86 Ų | 86 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.5 | 176.7 | 54.2 | -179.2 | -114.8 | 0 | 0 | 110.6 | G30 R32 R51 L52 Y67 | G30-E42 WeakPolarHBondContact CA-O 3.17Å; G30-E42 PolarHBondContact O-N 2.9Å; R32-E42 IonicContact CZ-OE2 3.49Å; R32-E42 VanDerWaalsContact CZ-OE2 3.24Å; R32-E42 IonicContact NE-OE2 3.48Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE2 2.74Å; R32-E42 PolarHBondContact NH2-OE2 3.48Å; E42-R51 WeakPolarHBondContact OE1-CD 3.23Å; E42-R51 IonicContact OE1-CZ 2.76Å; E42-R51 IonicContact OE1-NE 2.68Å; E42-R51 IonicContact OE1-NH1 3.55Å; E42-R51 PolarHBondContact OE1-NH1 3.13Å; E42-L52 CarbonylContact C-O 3.6Å; E42-L52 VanDerWaalsContact CA-O 3.23Å; E42-L52 WeakPolarHBondContact CA-O 3.41Å; E42-Y67 WeakPolarHBondContact O-CD2 3.44Å; E42-Y67 VanDerWaalsContact O-CE2 3.31Å; E42-Y67 WeakPolarHBondContact O-CE2 3.28Å |
| 43 | I | 94.1 | Very high | 92 | Very high | 4 Ų | 4 | 89.8 Ų | 89.8 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.3 | 179.5 | -166.7 | 163.8 | 0 | 0 | 0 | 111.3 | R51 L52 L54 Y67 A70 A71 L74 Y75 | I43-R51 WeakPolarHBondContact O-CA 3.3Å; I43-L52 HydrophobicContact CG2-CB 3.8Å; I43-L52 HydrophobicContact CG2-CD1 4.22Å; I43-L52 HydrophobicContact CG2-CG 4.44Å; I43-L52 PolarHBondContact N-O 3.03Å; I43-L52 PolarHBondContact O-N 3.18Å; I43-L54 HydrophobicContact CB-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD2 3.86Å; I43-L54 HydrophobicContact CG2-CG 4.17Å; I43-Y67 HydrophobicContact CB-CD2 4.23Å; I43-Y67 HydrophobicContact CB-CE2 3.79Å; I43-Y67 HydrophobicContact CD1-CE2 4.14Å; I43-Y67 HydrophobicContact CG1-CE2 3.79Å; I43-A70 HydrophobicContact CD1-CB 4.07Å; I43-A70 HydrophobicContact CG2-CB 4.35Å; I43-A71 HydrophobicContact CD1-CB 4.06Å; I43-L74 HydrophobicContact CD1-CB 4.42Å; I43-L74 HydrophobicContact CD1-CD2 3.69Å; I43-L74 HydrophobicContact CG1-CD2 3.94Å; I43-Y75 HydrophobicContact CD1-CE2 4.14Å |
| 44 | R | 93.4 | Very high | 92.1 | Very high | 129 Ų | 129 | 92.1 Ų | 92.1 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.2 | 173.3 | -74.2 | 176.2 | 154.6 | -149.2 | -22.6 | 107.6 | R51 Y75 | R44-R51 HydrophobicContact CG-CG 4.11Å; R44-Y75 PolarHBondContact O-OH 3.29Å |
| 45 | E | 88 | Confident | 92.3 | Very high | 39 Ų | 39 | 86.8 Ų | 86.8 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | trans | -81.4 | 149.9 | 171.4 | -53.7 | -169.3 | -149.9 | 0 | 0 | 110.6 | K48 L52 L74 | E45-K48 HydrophobicContact CB-CB 4.12Å; E45-K48 HydrophobicContact CB-CD 4.37Å; E45-K48 HydrophobicContact CB-CG 4.21Å; E45-K48 HydrophobicContact CG-CD 4.33Å; E45-K48 IonicContact OE1-NZ 2.82Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.42Å; E45-K48 WeakPolarHBondContact OE2-CE 3.41Å; E45-K48 IonicContact OE2-NZ 2.9Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; E45-L52 HydrophobicContact CG-CD1 4.37Å; E45-L74 HydrophobicContact CB-CD1 4.19Å; E45-L74 HydrophobicContact CB-CD2 4.36Å; E45-L74 HydrophobicContact CG-CD1 3.62Å; E45-L74 HydrophobicContact CG-CD2 4.06Å; E45-L74 HydrophobicContact CG-CG 4.49Å | ||
| 46 | P | 83.6 | Confident | 92.5 | Very high | 68 Ų | 68 | 84.5 Ų | 84.5 | 44% | 0.442 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -60 | 147.7 | 158.3 | 29.7 | -32.1 | 0 | 0 | 0 | 108.5 | K48 Y75 | P46-K48 PolarHBondContact O-N 3.22Å; P46-Y75 HydrophobicContact CG-CE1 4.14Å |
| 47 | N | 86.9 | Confident | 92.9 | Very high | 177 Ų | 177 | 76.3 Ų | 76.3 | 95% | 0.947 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 69.8 | -31.6 | -179.4 | -43.9 | -34.7 | 0 | 0 | 0 | 116.7 | ||
| 48 | K | 88.6 | Confident | 93.1 | Very high | 112 Ų | 112 | 78.1 Ų | 78.1 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | trans | -87.2 | 139.3 | 176 | -53.9 | -172.1 | -171.1 | 153.6 | 0 | 112.5 | E45 P46 | E45-K48 HydrophobicContact CB-CB 4.12Å; E45-K48 HydrophobicContact CB-CD 4.37Å; E45-K48 HydrophobicContact CB-CG 4.21Å; E45-K48 HydrophobicContact CG-CD 4.33Å; E45-K48 IonicContact OE1-NZ 2.82Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.42Å; E45-K48 WeakPolarHBondContact OE2-CE 3.41Å; E45-K48 IonicContact OE2-NZ 2.9Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; P46-K48 PolarHBondContact O-N 3.22Å | ||
| 49 | R | 89.1 | Confident | 93.1 | Very high | 239 Ų | 239 | 76.4 Ų | 76.4 | 90% | 0.902 | 37% | 0.374 | S | S | * | . | trans | -77.1 | -24.8 | 172.2 | 179.3 | 178.3 | -81 | -158.2 | -0.5 | 112.6 | ||||
| 50 | T | 91 | Very high | 93 | Very high | 86 Ų | 86 | 76.2 Ų | 76.2 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | trans | -65.7 | 156.5 | -177.2 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 51 | R | 92.9 | Very high | 93 | Very high | 142 Ų | 142 | 81.9 Ų | 81.9 | 54% | 0.536 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.8 | 170.6 | -51.1 | -169.4 | -169.3 | -144.8 | 2.3 | 107.8 | E42 I43 R44 | E42-R51 WeakPolarHBondContact OE1-CD 3.23Å; E42-R51 IonicContact OE1-CZ 2.76Å; E42-R51 IonicContact OE1-NE 2.68Å; E42-R51 IonicContact OE1-NH1 3.55Å; E42-R51 PolarHBondContact OE1-NH1 3.13Å; I43-R51 WeakPolarHBondContact O-CA 3.3Å; R44-R51 HydrophobicContact CG-CG 4.11Å |
| 52 | L | 93.8 | Very high | 93 | Very high | 77 Ų | 77 | 86 Ų | 86 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.1 | 170.2 | -57.5 | 178.3 | 0 | 0 | 0 | 108.3 | E42 I43 E45 | E42-L52 CarbonylContact C-O 3.6Å; E42-L52 VanDerWaalsContact CA-O 3.23Å; E42-L52 WeakPolarHBondContact CA-O 3.41Å; I43-L52 HydrophobicContact CG2-CB 3.8Å; I43-L52 HydrophobicContact CG2-CD1 4.22Å; I43-L52 HydrophobicContact CG2-CG 4.44Å; I43-L52 PolarHBondContact N-O 3.03Å; I43-L52 PolarHBondContact O-N 3.18Å; E45-L52 HydrophobicContact CG-CD1 4.37Å |
| 53 | W | 94.5 | Very high | 93 | Very high | 171 Ų | 171 | 84.7 Ų | 84.7 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.8 | 171.8 | 175.9 | 41.3 | 0 | 0 | 0 | 108.8 | G55 | W53-G55 PolarHBondContact NE1-O 3.08Å |
| 54 | L | 96.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 84.5 Ų | 84.5 | 29% | 0.293 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -17.5 | -175.2 | -59.4 | 176.4 | 0 | 0 | 0 | 113.1 | A41 I43 Y67 A70 | A41-L54 HydrophobicContact CB-CB 4.1Å; A41-L54 HydrophobicContact CB-CD1 4.2Å; A41-L54 WeakPolarHBondContact O-CB 3.31Å; A41-L54 PolarHBondContact O-N 2.87Å; I43-L54 HydrophobicContact CB-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD2 3.86Å; I43-L54 HydrophobicContact CG2-CG 4.17Å; L54-Y67 HydrophobicContact CD1-CD2 4.14Å; L54-A70 HydrophobicContact CD1-CB 3.54Å; L54-A70 HydrophobicContact CD2-CB 3.56Å; L54-A70 HydrophobicContact CG-CB 4.21Å |
| 55 | G | 96.5 | Very high | 93.1 | Very high | 15 Ų | 15 | 82.4 Ų | 82.4 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.5 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A41 W53 F57 | A41-G55 PolarHBondContact N-O 3.16Å; W53-G55 PolarHBondContact NE1-O 3.08Å; G55-F57 VanDerWaalsContact C-CE2 3.44Å |
| 56 | S | 96.9 | Very high | 93.5 | Very high | 71 Ų | 71 | 81.7 Ų | 81.7 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.9 | 172.3 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | W39 | W39-S56 CarbonylContact O-C 3.42Å; W39-S56 WeakPolarHBondContact O-CA 3.42Å |
| 57 | F | 97 | Very high | 94.1 | Very high | 33 Ų | 33 | 78.9 Ų | 78.9 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.1 | -161.9 | -59.2 | -76.1 | 0 | 0 | 0 | 111.1 | W39 A41 G55 E62 A63 A66 | W39-F57 HydrophobicContact CB-CB 4.4Å; W39-F57 PolarHBondContact N-O 3.35Å; W39-F57 VanDerWaalsContact N-O 3.16Å; W39-F57 PolarHBondContact O-N 3.14Å; A41-F57 HydrophobicContact CB-CD2 4.25Å; A41-F57 HydrophobicContact CB-CE2 3.78Å; G55-F57 VanDerWaalsContact C-CE2 3.44Å; F57-E62 HydrophobicContact CB-CB 4.22Å; F57-E62 HydrophobicContact CB-CG 4.12Å; F57-E62 WeakPolarHBondContact CB-OE2 3.13Å; F57-E62 HydrophobicContact CD1-CB 4.46Å; F57-E62 HydrophobicContact CD1-CG 3.6Å; F57-E62 HydrophobicContact CE1-CG 4.43Å; F57-E62 HydrophobicContact CG-CG 4.15Å; F57-A63 HydrophobicContact CB-CB 4.02Å; F57-A63 HydrophobicContact CD2-CB 3.61Å; F57-A63 HydrophobicContact CE2-CB 4.46Å; F57-A63 HydrophobicContact CG-CB 4.04Å; F57-A66 HydrophobicContact CE1-CB 3.91Å; F57-A66 HydrophobicContact CE2-CB 3.81Å; F57-A66 HydrophobicContact CZ-CB 3.32Å |
| 58 | A | 95.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 56% | 0.562 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -79.9 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W39 E62 | W39-A58 VanDerWaalsContact CD1-O 3.32Å; A58-E62 PolarHBondContact N-OE2 2.84Å |
| 59 | T | 95.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -120.3 | 162.3 | -178.5 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | E61 E62 A63 | T59-E61 VanDerWaalsContact C-N 3.34Å; T59-E62 VanDerWaalsContact OG1-CB 3.23Å; T59-E62 WeakPolarHBondContact OG1-CB 3.49Å; T59-E62 PolarHBondContact OG1-N 3.17Å; T59-E62 VanDerWaalsContact OG1-N 3.1Å; T59-A63 PolarHBondContact O-N 2.85Å |
| 60 | A | 94.3 | Very high | 95 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.3 | -32.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y28 W39 A64 | Y28-A60 HydrophobicContact CD2-CB 4.01Å; Y28-A60 WeakPolarHBondContact CD2-O 3.42Å; Y28-A60 HydrophobicContact CE2-CB 3.94Å; W39-A60 HydrophobicContact CD2-CB 3.85Å; W39-A60 HydrophobicContact CE3-CB 3.99Å; W39-A60 HydrophobicContact CG-CB 4.5Å; W39-A60 HydrophobicContact CH2-CB 4.03Å; W39-A60 HydrophobicContact CZ2-CB 3.89Å; W39-A60 HydrophobicContact CZ3-CB 4.08Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.42Å |
| 61 | E | 94.6 | Very high | 95.1 | Very high | 119 Ų | 119 | 54.8 Ų | 54.8 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.8 | -43.1 | 179.9 | -66 | 171.3 | -171.4 | 0 | 0 | 111.9 | Y28 T59 A63 A64 L65 | Y28-E61 HydrophobicContact CE2-CG 4.22Å; T59-E61 VanDerWaalsContact C-N 3.34Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 2.77Å; E61-A64 CarbonylContact O-C 3.48Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-A64 VanDerWaalsContact O-N 3.12Å; E61-L65 PolarHBondContact O-N 2.86Å |
| 62 | E | 95.3 | Very high | 95 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.3 | -173.4 | -168.7 | -168.2 | 0 | 0 | 110.8 | F57 A58 T59 A64 L65 A66 | F57-E62 HydrophobicContact CB-CB 4.22Å; F57-E62 HydrophobicContact CB-CG 4.12Å; F57-E62 WeakPolarHBondContact CB-OE2 3.13Å; F57-E62 HydrophobicContact CD1-CB 4.46Å; F57-E62 HydrophobicContact CD1-CG 3.6Å; F57-E62 HydrophobicContact CE1-CG 4.43Å; F57-E62 HydrophobicContact CG-CG 4.15Å; A58-E62 PolarHBondContact N-OE2 2.84Å; T59-E62 VanDerWaalsContact OG1-CB 3.23Å; T59-E62 WeakPolarHBondContact OG1-CB 3.49Å; T59-E62 PolarHBondContact OG1-N 3.17Å; T59-E62 VanDerWaalsContact OG1-N 3.1Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.68Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 2.92Å; E62-A66 PolarHBondContact O-N 2.94Å |
| 63 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V31 W39 A41 F57 T59 E61 Y67 | V31-A63 HydrophobicContact CB-CB 4.44Å; V31-A63 HydrophobicContact CG1-CB 3.75Å; V31-A63 HydrophobicContact CG2-CB 3.85Å; W39-A63 HydrophobicContact CB-CB 4.06Å; A41-A63 HydrophobicContact CB-CB 4.23Å; A41-A63 WeakPolarHBondContact CB-O 3.26Å; F57-A63 HydrophobicContact CB-CB 4.02Å; F57-A63 HydrophobicContact CD2-CB 3.61Å; F57-A63 HydrophobicContact CE2-CB 4.46Å; F57-A63 HydrophobicContact CG-CB 4.04Å; T59-A63 PolarHBondContact O-N 2.85Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 2.77Å; A63-Y67 WeakPolarHBondContact O-CB 3.29Å; A63-Y67 PolarHBondContact O-N 3.45Å |
| 64 | A | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y28 V31 A60 E61 E62 Y67 D68 N82 L83 | Y28-A64 HydrophobicContact CD1-CB 4.04Å; Y28-A64 HydrophobicContact CD2-CB 3.74Å; Y28-A64 HydrophobicContact CE2-CB 4.28Å; Y28-A64 HydrophobicContact CG-CB 3.62Å; V31-A64 HydrophobicContact CG2-CB 4.16Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.42Å; E61-A64 CarbonylContact O-C 3.48Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-A64 VanDerWaalsContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.68Å; A64-Y67 PolarHBondContact O-N 2.78Å; A64-D68 WeakPolarHBondContact O-CB 3.42Å; A64-D68 PolarHBondContact O-N 3.09Å; A64-N82 HydrophobicContact CB-CB 4.02Å; A64-L83 HydrophobicContact CB-CD1 3.98Å; A64-L83 HydrophobicContact CB-CG 4.34Å |
| 65 | L | 95 | Very high | 94.4 | Very high | 85 Ų | 85 | 56 Ų | 56 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 172.5 | -84.3 | 174.3 | 0 | 0 | 0 | 112.2 | E61 E62 Y67 D68 E69 L83 L86 | E61-L65 PolarHBondContact O-N 2.86Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 2.92Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.08Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-D68 VanDerWaalsContact O-N 3.11Å; L65-E69 PolarHBondContact O-N 3.15Å; L65-L83 HydrophobicContact CD2-CD1 4.2Å; L65-L83 HydrophobicContact CG-CD1 3.9Å; L65-L86 HydrophobicContact CD1-CD1 4.35Å; L65-L86 HydrophobicContact CD2-CD1 3.62Å; L65-L86 HydrophobicContact CG-CD1 4.19Å |
| 66 | A | 95.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F57 E62 D68 A70 | F57-A66 HydrophobicContact CE1-CB 3.91Å; F57-A66 HydrophobicContact CE2-CB 3.81Å; F57-A66 HydrophobicContact CZ-CB 3.32Å; E62-A66 PolarHBondContact O-N 2.94Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-A70 PolarHBondContact O-N 2.76Å; A66-A70 VanDerWaalsContact O-N 3.12Å |
| 67 | Y | 95.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 172.2 | -177 | -90.1 | 0 | 0 | 0 | 112.5 | R29 E42 I43 L54 A63 A64 L65 A70 A71 N82 | R29-Y67 HydrophobicContact CB-CE1 4.13Å; R29-Y67 HydrophobicContact CG-CE1 4.05Å; R29-Y67 PolarHBondContact NE-OH 3.41Å; R29-Y67 PolarHBondContact NH2-OH 3Å; R29-Y67 VanDerWaalsContact O-CD1 3.32Å; R29-Y67 WeakPolarHBondContact O-CD1 3.32Å; E42-Y67 WeakPolarHBondContact O-CD2 3.44Å; E42-Y67 VanDerWaalsContact O-CE2 3.31Å; E42-Y67 WeakPolarHBondContact O-CE2 3.28Å; I43-Y67 HydrophobicContact CB-CD2 4.23Å; I43-Y67 HydrophobicContact CB-CE2 3.79Å; I43-Y67 HydrophobicContact CD1-CE2 4.14Å; I43-Y67 HydrophobicContact CG1-CE2 3.79Å; L54-Y67 HydrophobicContact CD1-CD2 4.14Å; A63-Y67 WeakPolarHBondContact O-CB 3.29Å; A63-Y67 PolarHBondContact O-N 3.45Å; A64-Y67 PolarHBondContact O-N 2.78Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.08Å; Y67-A70 PolarHBondContact O-N 3.34Å; Y67-A71 HydrophobicContact CE1-CB 4.19Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.46Å; Y67-N82 VanDerWaalsContact CD1-ND2 3.32Å; Y67-N82 WeakPolarHBondContact CD1-ND2 3.28Å |
| 68 | D | 94.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | -178 | -78.1 | -7.7 | 0 | 0 | 0 | 112.7 | A64 L65 A66 A71 R72 L81 N82 L83 | A64-D68 WeakPolarHBondContact O-CB 3.42Å; A64-D68 PolarHBondContact O-N 3.09Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-D68 VanDerWaalsContact O-N 3.11Å; A66-D68 VanDerWaalsContact C-N 3.34Å; D68-A71 PolarHBondContact O-N 3.49Å; D68-R72 WeakPolarHBondContact O-CB 3.42Å; D68-R72 PolarHBondContact O-N 3.36Å; D68-L81 HydrophobicContact CB-CB 4.16Å; D68-L81 HydrophobicContact CB-CD1 4.23Å; D68-L81 HydrophobicContact CB-CD2 3.91Å; D68-L81 HydrophobicContact CB-CG 4.3Å; D68-L81 VanDerWaalsContact O-CD2 3.29Å; D68-L81 WeakPolarHBondContact O-CD2 3.33Å; D68-L81 WeakPolarHBondContact OD1-CA 3.23Å; D68-N82 WeakPolarHBondContact OD1-CB 3.31Å; D68-N82 PolarHBondContact OD1-N 2.84Å; D68-N82 PolarHBondContact OD1-ND2 2.95Å; D68-N82 WeakPolarHBondContact OD2-CB 3.48Å; D68-N82 PolarHBondContact OD2-N 2.74Å; D68-L83 PolarHBondContact OD2-N 2.91Å |
| 69 | E | 94.1 | Very high | 92.8 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 170.6 | 173.9 | 160.1 | -140 | 0 | 0 | 111.6 | L65 A71 R72 R73 | L65-E69 PolarHBondContact O-N 3.15Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.77Å; E69-R72 PolarHBondContact O-N 3.22Å; E69-R72 IonicContact OE1-NH2 3.48Å; E69-R72 PolarHBondContact OE1-NH2 3.32Å; E69-R73 WeakPolarHBondContact O-CG 3.31Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-CZ 3.74Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.49Å; E69-R73 IonicContact OE1-NH2 3.24Å; E69-R73 PolarHBondContact OE1-NH2 2.81Å; E69-R73 IonicContact OE2-NH2 2.84Å |
| 70 | A | 94.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I43 L54 A66 Y67 R72 R73 L74 | I43-A70 HydrophobicContact CD1-CB 4.07Å; I43-A70 HydrophobicContact CG2-CB 4.35Å; L54-A70 HydrophobicContact CD1-CB 3.54Å; L54-A70 HydrophobicContact CD2-CB 3.56Å; L54-A70 HydrophobicContact CG-CB 4.21Å; A66-A70 PolarHBondContact O-N 2.76Å; A66-A70 VanDerWaalsContact O-N 3.12Å; Y67-A70 PolarHBondContact O-N 3.34Å; A70-R72 PolarHBondContact O-N 3.21Å; A70-R73 PolarHBondContact O-N 3.47Å; A70-L74 VanDerWaalsContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CB 3.41Å; A70-L74 PolarHBondContact O-N 2.88Å |
| 71 | A | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I43 Y67 D68 E69 L74 Y75 A79 L81 | I43-A71 HydrophobicContact CD1-CB 4.06Å; Y67-A71 HydrophobicContact CE1-CB 4.19Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.46Å; D68-A71 PolarHBondContact O-N 3.49Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.77Å; A71-L74 PolarHBondContact O-N 3.23Å; A71-Y75 HydrophobicContact CB-CD2 4.12Å; A71-Y75 WeakPolarHBondContact O-CB 3.5Å; A71-Y75 WeakPolarHBondContact O-CD2 3.28Å; A71-Y75 PolarHBondContact O-N 2.83Å; A71-A79 HydrophobicContact CB-CB 4.39Å; A71-A79 WeakPolarHBondContact O-CB 3.43Å; A71-L81 HydrophobicContact CB-CD2 3.85Å |
| 72 | R | 92 | Very high | 92.2 | Very high | 129 Ų | 129 | 58.9 Ų | 58.9 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 173.8 | 176.6 | 177.6 | 56.7 | 107.9 | 2 | 112.5 | D68 E69 A70 G76 | D68-R72 WeakPolarHBondContact O-CB 3.42Å; D68-R72 PolarHBondContact O-N 3.36Å; E69-R72 PolarHBondContact O-N 3.22Å; E69-R72 IonicContact OE1-NH2 3.48Å; E69-R72 PolarHBondContact OE1-NH2 3.32Å; A70-R72 PolarHBondContact O-N 3.21Å; R72-G76 CarbonylContact O-C 3.55Å; R72-G76 VanDerWaalsContact O-CA 3.31Å; R72-G76 WeakPolarHBondContact O-CA 3.31Å; R72-G76 PolarHBondContact O-N 2.97Å |
| 73 | R | 91.4 | Very high | 91.9 | Very high | 188 Ų | 188 | 56 Ų | 56 | 71% | 0.709 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 175.8 | -66.4 | 176.1 | -171.9 | -164.8 | 5.1 | 112.2 | E69 A70 | E69-R73 WeakPolarHBondContact O-CG 3.31Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-CZ 3.74Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.49Å; E69-R73 IonicContact OE1-NH2 3.24Å; E69-R73 PolarHBondContact OE1-NH2 2.81Å; E69-R73 IonicContact OE2-NH2 2.84Å; A70-R73 PolarHBondContact O-N 3.47Å |
| 74 | L | 91.1 | Very high | 91.3 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -85.4 | -43.4 | -174.5 | -178.8 | 72.8 | 0 | 0 | 0 | 114.3 | I43 E45 A70 A71 | I43-L74 HydrophobicContact CD1-CB 4.42Å; I43-L74 HydrophobicContact CD1-CD2 3.69Å; I43-L74 HydrophobicContact CG1-CD2 3.94Å; E45-L74 HydrophobicContact CB-CD1 4.19Å; E45-L74 HydrophobicContact CB-CD2 4.36Å; E45-L74 HydrophobicContact CG-CD1 3.62Å; E45-L74 HydrophobicContact CG-CD2 4.06Å; E45-L74 HydrophobicContact CG-CG 4.49Å; A70-L74 VanDerWaalsContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CB 3.41Å; A70-L74 PolarHBondContact O-N 2.88Å; A71-L74 PolarHBondContact O-N 3.23Å |
| 75 | Y | 89.6 | Confident | 90.6 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -102 | -3.9 | -175.1 | -61 | -75.7 | 0 | 0 | 0 | 113.4 | I43 R44 P46 A71 | I43-Y75 HydrophobicContact CD1-CE2 4.14Å; R44-Y75 PolarHBondContact O-OH 3.29Å; P46-Y75 HydrophobicContact CG-CE1 4.14Å; A71-Y75 HydrophobicContact CB-CD2 4.12Å; A71-Y75 WeakPolarHBondContact O-CB 3.5Å; A71-Y75 WeakPolarHBondContact O-CD2 3.28Å; A71-Y75 PolarHBondContact O-N 2.83Å |
| 76 | G | 89 | Confident | 89.6 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | trans | 84.2 | -169.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | R72 D78 A79 | R72-G76 CarbonylContact O-C 3.55Å; R72-G76 VanDerWaalsContact O-CA 3.31Å; R72-G76 WeakPolarHBondContact O-CA 3.31Å; R72-G76 PolarHBondContact O-N 2.97Å; G76-D78 VanDerWaalsContact C-N 3.29Å; G76-D78 PolarHBondContact O-N 3.27Å; G76-A79 WeakPolarHBondContact O-CB 3.32Å; G76-A79 PolarHBondContact O-N 3.45Å | ||
| 77 | P | 87.2 | Confident | 88.1 | Confident | 106 Ų | 106 | 71 Ų | 71 | 69% | 0.688 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.3 | -173.7 | 25.5 | -34.2 | 0 | 0 | 0 | 113.4 | A79 R87 | P77-A79 PolarHBondContact O-N 2.99Å; P77-R87 PolarHBondContact O-NH1 3.49Å |
| 78 | D | 86.5 | Confident | 86.1 | Confident | 134 Ų | 134 | 75.7 Ų | 75.7 | 72% | 0.717 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 16.7 | -179.9 | -61.1 | -29.4 | 0 | 0 | 0 | 113.5 | G76 F80 | G76-D78 VanDerWaalsContact C-N 3.29Å; G76-D78 PolarHBondContact O-N 3.27Å; D78-F80 PolarHBondContact O-N 3.27Å |
| 79 | A | 88.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | trans | -54.6 | 138.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A71 G76 P77 L81 R87 | A71-A79 HydrophobicContact CB-CB 4.39Å; A71-A79 WeakPolarHBondContact O-CB 3.43Å; G76-A79 WeakPolarHBondContact O-CB 3.32Å; G76-A79 PolarHBondContact O-N 3.45Å; P77-A79 PolarHBondContact O-N 2.99Å; A79-L81 HydrophobicContact CB-CD2 3.76Å; A79-L81 HydrophobicContact CB-CG 4.47Å; A79-L81 PolarHBondContact O-N 2.83Å; A79-R87 PolarHBondContact O-NH1 3.38Å; A79-R87 PolarHBondContact O-NH2 3.43Å | ||
| 80 | F | 87.2 | Confident | 82.2 | Confident | 120 Ų | 120 | 78 Ų | 78 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | trans | -76.6 | 115.7 | 168.2 | -74.4 | -99.4 | 0 | 0 | 0 | 107.9 | K7 R29 D78 | K7-F80 HydrophobicContact CB-CZ 4.49Å; K7-F80 HydrophobicContact CD-CD2 4.35Å; K7-F80 HydrophobicContact CD-CE2 3.37Å; K7-F80 HydrophobicContact CD-CZ 3.8Å; R29-F80 PolarHBondContact NH1-O 3.12Å; R29-F80 PolarHBondContact NH2-O 3.06Å; D78-F80 PolarHBondContact O-N 3.27Å | ||
| 81 | L | 92 | Very high | 80.2 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | trans | -108.8 | 152.2 | -176.6 | -58.2 | -170 | 0 | 0 | 0 | 110.1 | D68 A71 A79 R87 | D68-L81 HydrophobicContact CB-CB 4.16Å; D68-L81 HydrophobicContact CB-CD1 4.23Å; D68-L81 HydrophobicContact CB-CD2 3.91Å; D68-L81 HydrophobicContact CB-CG 4.3Å; D68-L81 VanDerWaalsContact O-CD2 3.29Å; D68-L81 WeakPolarHBondContact O-CD2 3.33Å; D68-L81 WeakPolarHBondContact OD1-CA 3.23Å; A71-L81 HydrophobicContact CB-CD2 3.85Å; A79-L81 HydrophobicContact CB-CD2 3.76Å; A79-L81 HydrophobicContact CB-CG 4.47Å; A79-L81 PolarHBondContact O-N 2.83Å; L81-R87 HydrophobicContact CD1-CG 4.04Å | ||
| 82 | N | 91.8 | Very high | 78.2 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 17% | 0.171 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -69.4 | -39.7 | 176.9 | -68.4 | -43.5 | 0 | 0 | 0 | 112.2 | Y28 R29 A64 Y67 D68 P84 | Y28-N82 HydrophobicContact CD1-CB 3.96Å; R29-N82 VanDerWaalsContact CB-OD1 3.26Å; R29-N82 WeakPolarHBondContact CB-OD1 3Å; R29-N82 PolarHBondContact N-OD1 2.72Å; R29-N82 PolarHBondContact O-ND2 3.42Å; A64-N82 HydrophobicContact CB-CB 4.02Å; Y67-N82 VanDerWaalsContact CD1-ND2 3.32Å; Y67-N82 WeakPolarHBondContact CD1-ND2 3.28Å; D68-N82 WeakPolarHBondContact OD1-CB 3.31Å; D68-N82 PolarHBondContact OD1-N 2.84Å; D68-N82 PolarHBondContact OD1-ND2 2.95Å; D68-N82 WeakPolarHBondContact OD2-CB 3.48Å; D68-N82 PolarHBondContact OD2-N 2.74Å; N82-P84 VanDerWaalsContact C-CD 3.41Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å |
| 83 | L | 89.7 | Confident | 76.3 | Confident | 26 Ų | 26 | 77.6 Ų | 77.6 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | trans | -117.5 | 68.6 | -172.8 | -61.7 | 172.5 | 0 | 0 | 0 | 110.6 | Y28 A64 L65 D68 H85 L86 | Y28-L83 HydrophobicContact CE1-CD2 3.76Å; A64-L83 HydrophobicContact CB-CD1 3.98Å; A64-L83 HydrophobicContact CB-CG 4.34Å; L65-L83 HydrophobicContact CD2-CD1 4.2Å; L65-L83 HydrophobicContact CG-CD1 3.9Å; D68-L83 PolarHBondContact OD2-N 2.91Å; L83-H85 PolarHBondContact O-N 2.89Å; L83-L86 HydrophobicContact CB-CB 4.49Å; L83-L86 HydrophobicContact CB-CD1 3.87Å; L83-L86 HydrophobicContact CB-CG 4.14Å; L83-L86 HydrophobicContact CD1-CD1 3.79Å; L83-L86 HydrophobicContact CG-CD1 4.38Å; L83-L86 PolarHBondContact O-N 3.06Å; L83-L86 VanDerWaalsContact O-N 3.1Å | ||
| 84 | P | 83.3 | Confident | 74.3 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -60.9 | -29.2 | -175.3 | 26.3 | -35.4 | 0 | 0 | 0 | 113.2 | N82 L86 R87 | N82-P84 VanDerWaalsContact C-CD 3.41Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-L86 PolarHBondContact O-N 3.45Å; P84-R87 VanDerWaalsContact O-CB 3.29Å; P84-R87 WeakPolarHBondContact O-CB 3.13Å; P84-R87 VanDerWaalsContact O-CG 3.31Å; P84-R87 WeakPolarHBondContact O-CG 3.46Å; P84-R87 PolarHBondContact O-N 2.85Å; P84-R87 VanDerWaalsContact O-N 3.16Å |
| 85 | H | 81.4 | Confident | 72.4 | Confident | 162 Ų | 162 | 81.4 Ų | 81.4 | 75% | 0.75 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.9 | -31.6 | 177.7 | -51.8 | -63.3 | 0 | 0 | 0 | 112.8 | L83 R87 | L83-H85 PolarHBondContact O-N 2.89Å; H85-R87 VanDerWaalsContact C-N 3.28Å; H85-R87 PolarHBondContact O-N 3.22Å |
| 86 | L | 73.7 | Confident | 70.5 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 52% | 0.518 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -78.6 | -10.3 | -179 | -57.1 | -178.9 | 0 | 0 | 0 | 113 | L65 L83 P84 V88 | L65-L86 HydrophobicContact CD1-CD1 4.35Å; L65-L86 HydrophobicContact CD2-CD1 3.62Å; L65-L86 HydrophobicContact CG-CD1 4.19Å; L83-L86 HydrophobicContact CB-CB 4.49Å; L83-L86 HydrophobicContact CB-CD1 3.87Å; L83-L86 HydrophobicContact CB-CG 4.14Å; L83-L86 HydrophobicContact CD1-CD1 3.79Å; L83-L86 HydrophobicContact CG-CD1 4.38Å; L83-L86 PolarHBondContact O-N 3.06Å; L83-L86 VanDerWaalsContact O-N 3.1Å; P84-L86 PolarHBondContact O-N 3.45Å; L86-V88 PolarHBondContact O-N 2.9Å |
| 87 | R | 62.6 | Low | 68.8 | Low | 102 Ų | 102 | 91 Ų | 91 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -27.5 | 176.4 | -64.7 | -175.4 | -165.1 | -135.7 | 10.2 | 113.5 | P77 A79 L81 P84 H85 S89 | P77-R87 PolarHBondContact O-NH1 3.49Å; A79-R87 PolarHBondContact O-NH1 3.38Å; A79-R87 PolarHBondContact O-NH2 3.43Å; L81-R87 HydrophobicContact CD1-CG 4.04Å; P84-R87 VanDerWaalsContact O-CB 3.29Å; P84-R87 WeakPolarHBondContact O-CB 3.13Å; P84-R87 VanDerWaalsContact O-CG 3.31Å; P84-R87 WeakPolarHBondContact O-CG 3.46Å; P84-R87 PolarHBondContact O-N 2.85Å; P84-R87 VanDerWaalsContact O-N 3.16Å; H85-R87 VanDerWaalsContact C-N 3.28Å; H85-R87 PolarHBondContact O-N 3.22Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å |
| 88 | V | 55.2 | Low | 67 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 66% | 0.661 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.4 | -26.5 | -169.5 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | L86 A92 | L86-V88 PolarHBondContact O-N 2.9Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å |
| 89 | S | 54 | Low | 65.3 | Low | 86 Ų | 86 | 97.8 Ų | 97.8 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.1 | -40.1 | -176 | -167.6 | 0 | 0 | 0 | 0 | 113.5 | R87 A92 A93 | R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å; S89-A92 PolarHBondContact O-N 3.05Å; S89-A93 VanDerWaalsContact O-CB 3.28Å; S89-A93 WeakPolarHBondContact O-CB 3.17Å; S89-A93 PolarHBondContact O-N 3.14Å |
| 90 | A | 53.1 | Low | 63.6 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A92 A93 H94 | A90-A92 VanDerWaalsContact C-N 3.31Å; A90-A92 PolarHBondContact O-N 3.31Å; A90-A93 PolarHBondContact O-N 2.9Å; A90-H94 PolarHBondContact O-CD2 2.86Å; A90-H94 PolarHBondContact O-N 3.41Å |
| 91 | A | 51.5 | Low | 62 | Low | 67 Ų | 67 | 102.3 Ų | 102.3 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q95 | A91-Q95 VanDerWaalsContact O-CG 3.29Å; A91-Q95 WeakPolarHBondContact O-CG 3.43Å; A91-Q95 PolarHBondContact O-N 3.39Å |
| 92 | A | 51.5 | Low | 60.3 | Low | 30 Ų | 30 | 104.1 Ų | 104.1 | 25% | 0.248 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -68.9 | -33.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V88 S89 A90 Q95 R96 | V88-A92 WeakPolarHBondContact O-CB 3.34Å; S89-A92 PolarHBondContact O-N 3.05Å; A90-A92 VanDerWaalsContact C-N 3.31Å; A90-A92 PolarHBondContact O-N 3.31Å; A92-Q95 PolarHBondContact O-N 3.3Å; A92-R96 VanDerWaalsContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CG 3.27Å; A92-R96 PolarHBondContact O-N 2.98Å |
| 93 | A | 52.6 | Low | 58.6 | Low | 39 Ų | 39 | 107.7 Ų | 107.7 | 32% | 0.322 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.9 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S89 A90 Q95 R96 I97 | S89-A93 VanDerWaalsContact O-CB 3.28Å; S89-A93 WeakPolarHBondContact O-CB 3.17Å; S89-A93 PolarHBondContact O-N 3.14Å; A90-A93 PolarHBondContact O-N 2.9Å; A93-Q95 PolarHBondContact O-N 2.94Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.07Å; A93-I97 WeakPolarHBondContact O-CG1 3.45Å; A93-I97 PolarHBondContact O-N 2.84Å |
| 94 | H | 48.4 | Very low | 57 | Low | 157 Ų | 157 | 108.6 Ų | 108.6 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -28.4 | 174.4 | -71 | -64.6 | 0 | 0 | 0 | 113.2 | A90 | A90-H94 PolarHBondContact O-CD2 2.86Å; A90-H94 PolarHBondContact O-N 3.41Å |
| 95 | Q | 51 | Low | 55.6 | Low | 166 Ų | 166 | 114 Ų | 114 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.5 | -29.3 | 171.7 | -67.4 | -82.2 | -15 | 0 | 0 | 112.9 | A91 A92 A93 | A91-Q95 VanDerWaalsContact O-CG 3.29Å; A91-Q95 WeakPolarHBondContact O-CG 3.43Å; A91-Q95 PolarHBondContact O-N 3.39Å; A92-Q95 PolarHBondContact O-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.94Å |
| 96 | R | 51.1 | Low | 54.1 | Low | 208 Ų | 208 | 110.2 Ų | 110.2 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -86.2 | -22.2 | -178.9 | -79.7 | -179.5 | 160.4 | 102.8 | -2.5 | 114.4 | A92 A93 R98 | A92-R96 VanDerWaalsContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CG 3.27Å; A92-R96 PolarHBondContact O-N 2.98Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.07Å; R96-R98 PolarHBondContact O-N 2.95Å |
| 97 | I | 52.6 | Low | 53 | Low | 117 Ų | 117 | 110.1 Ų | 110.1 | 60% | 0.6 | 61% | 0.61 | S | S | * | * | trans | -79.3 | 62.9 | 167.5 | -54.5 | 168.6 | 0 | 0 | 0 | 108.7 | A93 W99 | A93-I97 WeakPolarHBondContact O-CG1 3.45Å; A93-I97 PolarHBondContact O-N 2.84Å; I97-W99 PolarHBondContact O-N 3.4Å | ||
| 98 | R | 49.5 | Very low | 52.3 | Low | 213 Ų | 213 | 108.5 Ų | 108.5 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | trans | -69.9 | 113.9 | 163.4 | -178.7 | 179.2 | -178 | -178.5 | 2.2 | 107.1 | R96 L100 | R96-R98 PolarHBondContact O-N 2.95Å; R98-L100 PolarHBondContact O-N 3.09Å | ||
| 99 | W | 50.7 | Low | 52.1 | Low | 170 Ų | 170 | 106.6 Ų | 106.6 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | trans | -52.2 | 107.1 | 172.4 | -62.2 | 90.5 | 0 | 0 | 0 | 110.3 | I97 N119 | I97-W99 PolarHBondContact O-N 3.4Å; W99-N119 WeakPolarHBondContact CH2-OD1 3.3Å | ||
| 100 | L | 53.5 | Low | 52 | Low | 138 Ų | 138 | 107.6 Ų | 107.6 | 72% | 0.723 | 63% | 0.628 | S | S | * | * | trans | -73.7 | 123.7 | 170.1 | -75.2 | 165.8 | 0 | 0 | 0 | 107.7 | R98 A104 | R98-L100 PolarHBondContact O-N 3.09Å; L100-A104 HydrophobicContact CB-CB 4.36Å; L100-A104 HydrophobicContact CD2-CB 4.15Å | ||
| 101 | P | 53.9 | Low | 52.1 | Low | 81 Ų | 81 | 109.3 Ų | 109.3 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | trans | -60.4 | 149.3 | 173.7 | 27.1 | -34.1 | 0 | 0 | 0 | 109.5 | S103 A104 | P101-S103 PolarHBondContact O-N 2.97Å; P101-A104 WeakPolarHBondContact O-CB 3.2Å; P101-A104 PolarHBondContact O-N 3.17Å | ||
| 102 | A | 54.7 | Low | 52.1 | Low | 70 Ų | 70 | 110.5 Ų | 110.5 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -57.2 | -24.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A104 R105 | A102-A104 VanDerWaalsContact C-N 3.28Å; A102-A104 PolarHBondContact O-N 3.16Å; A102-R105 PolarHBondContact O-N 2.73Å |
| 103 | S | 57.5 | Low | 52.1 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -63.1 | -25.5 | 173 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | P101 R105 | P101-S103 PolarHBondContact O-N 2.97Å; S103-R105 VanDerWaalsContact C-N 3.26Å; S103-R105 PolarHBondContact O-N 2.7Å |
| 104 | A | 56.1 | Low | 52.2 | Low | 45 Ų | 45 | 115.4 Ų | 115.4 | 37% | 0.372 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -77.5 | -6.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L100 P101 A102 G106 | L100-A104 HydrophobicContact CB-CB 4.36Å; L100-A104 HydrophobicContact CD2-CB 4.15Å; P101-A104 WeakPolarHBondContact O-CB 3.2Å; P101-A104 PolarHBondContact O-N 3.17Å; A102-A104 VanDerWaalsContact C-N 3.28Å; A102-A104 PolarHBondContact O-N 3.16Å; A104-G106 PolarHBondContact O-N 3.09Å |
| 105 | R | 52.4 | Low | 52.4 | Low | 174 Ų | 174 | 117.5 Ų | 117.5 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68 | -15.8 | 178.8 | -73.8 | -174 | 168.9 | 117.8 | -1.4 | 114.2 | A102 S103 A107 A109 | A102-R105 PolarHBondContact O-N 2.73Å; S103-R105 VanDerWaalsContact C-N 3.26Å; S103-R105 PolarHBondContact O-N 2.7Å; R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.04Å; R105-A107 VanDerWaalsContact O-N 3.17Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å |
| 106 | G | 49.6 | Very low | 52.4 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.1 | -16.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | A104 | A104-G106 PolarHBondContact O-N 3.09Å |
| 107 | A | 51.9 | Low | 52.4 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -122.5 | -29.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R105 | R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.04Å; R105-A107 VanDerWaalsContact O-N 3.17Å |
| 108 | A | 48 | Very low | 52.4 | Low | 68 Ų | 68 | 111.5 Ų | 111.5 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -98.5 | -12.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A110 | A108-A110 VanDerWaalsContact C-N 3.26Å; A108-A110 PolarHBondContact O-N 2.77Å |
| 109 | A | 50.2 | Low | 52.5 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -11.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | R105 | R105-A109 WeakPolarHBondContact O-CB 3.37Š|
| 110 | A | 52.4 | Low | 52.8 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 89% | 0.893 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A108 | A108-A110 VanDerWaalsContact C-N 3.26Å; A108-A110 PolarHBondContact O-N 2.77Å |
| 111 | A | 54.3 | Low | 52.8 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -113 | -7.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 112 | V | 52.4 | Low | 52.8 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -111.3 | 112.6 | -179.6 | -174.1 | 0 | 0 | 0 | 0 | 109 | A114 | V112-A114 PolarHBondContact O-N 3.2Š|
| 113 | P | 51.9 | Low | 52.6 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 43% | 0.429 | 67% | 0.67 | S | S | . | * | trans | -65.5 | 132.7 | 179.5 | 28.1 | -34.5 | 0 | 0 | 0 | 110.5 | Y115 | P113-Y115 HydrophobicContact CB-CD1 4.01Å; P113-Y115 HydrophobicContact CB-CE1 3.49Å; P113-Y115 VanDerWaalsContact CB-CE1 3.49Å; P113-Y115 HydrophobicContact CB-CE2 4.38Å; P113-Y115 HydrophobicContact CG-CE1 3.8Å; P113-Y115 HydrophobicContact CG-CE2 3.91Å; P113-Y115 VanDerWaalsContact CG-CZ 3.41Å; P113-Y115 WeakPolarHBondContact CG-OH 3.46Å; P113-Y115 PolarHBondContact O-N 3.04Å | ||
| 114 | A | 55.3 | Low | 52.7 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 87% | 0.868 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 8 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V112 | V112-A114 PolarHBondContact O-N 3.2Š|
| 115 | Y | 51.3 | Low | 53.5 | Low | 202 Ų | 202 | 109.9 Ų | 109.9 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -6.2 | -178.8 | 47.4 | -115.5 | 0 | 0 | 0 | 114.8 | P113 | P113-Y115 HydrophobicContact CB-CD1 4.01Å; P113-Y115 HydrophobicContact CB-CE1 3.49Å; P113-Y115 VanDerWaalsContact CB-CE1 3.49Å; P113-Y115 HydrophobicContact CB-CE2 4.38Å; P113-Y115 HydrophobicContact CG-CE1 3.8Å; P113-Y115 HydrophobicContact CG-CE2 3.91Å; P113-Y115 VanDerWaalsContact CG-CZ 3.41Å; P113-Y115 WeakPolarHBondContact CG-OH 3.46Å; P113-Y115 PolarHBondContact O-N 3.04Å |
| 116 | G | 50.6 | Low | 54.6 | Low | 56 Ų | 56 | 107 Ų | 107 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -100.7 | -7.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 117 | L | 51.2 | Low | 55.8 | Low | 151 Ų | 151 | 109.1 Ų | 109.1 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | trans | -114.4 | 61.5 | -167.8 | -64.1 | -178.9 | 0 | 0 | 0 | 113.9 | ||||
| 118 | L | 53.4 | Low | 57 | Low | 158 Ų | 158 | 106.5 Ų | 106.5 | 83% | 0.827 | 63% | 0.634 | S | S | * | * | trans | -85.3 | 119.4 | 168.6 | -67 | -179.4 | 0 | 0 | 0 | 111 | L120 | L118-L120 PolarHBondContact O-N 3.32Å; L118-L120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | N | 52.2 | Low | 58.4 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 44% | 0.439 | 63% | 0.631 | S | S | . | * | trans | -74.3 | 96.8 | 175.5 | 176.6 | 11.1 | 0 | 0 | 0 | 110.5 | W99 N121 A122 | W99-N119 WeakPolarHBondContact CH2-OD1 3.3Å; N119-N121 PolarHBondContact O-N 2.95Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 WeakPolarHBondContact OD1-CA 3.36Å; N119-N121 WeakPolarHBondContact OD1-CB 3.5Å; N119-N121 PolarHBondContact OD1-N 2.76Å; N119-A122 WeakPolarHBondContact O-CB 3.47Å; N119-A122 PolarHBondContact O-N 2.85Å | ||
| 120 | L | 57 | Low | 59.8 | Low | 151 Ų | 151 | 109.6 Ų | 109.6 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -4.4 | 176 | -71.1 | 154.1 | 0 | 0 | 0 | 114.4 | L118 | L118-L120 PolarHBondContact O-N 3.32Å; L118-L120 VanDerWaalsContact O-N 3.11Å |
| 121 | N | 52.5 | Low | 61.2 | Low | 125 Ų | 125 | 108.6 Ų | 108.6 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 7.6 | 172.7 | -162.6 | 47.6 | 0 | 0 | 0 | 112.9 | N119 | N119-N121 PolarHBondContact O-N 2.95Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 WeakPolarHBondContact OD1-CA 3.36Å; N119-N121 WeakPolarHBondContact OD1-CB 3.5Å; N119-N121 PolarHBondContact OD1-N 2.76Å |
| 122 | A | 54.5 | Low | 62.3 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -69.7 | 127.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | N119 H124 | N119-A122 WeakPolarHBondContact O-CB 3.47Å; N119-A122 PolarHBondContact O-N 2.85Å; A122-H124 PolarHBondContact O-N 3.43Å |
| 123 | Q | 49.9 | Very low | 63.7 | Low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | trans | -56.9 | 122.8 | -170.1 | -66.2 | -160.8 | -19.1 | 0 | 0 | 112.6 | N125 | Q123-N125 PolarHBondContact O-N 2.97Š| ||
| 124 | H | 60.4 | Low | 65.1 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | trans | -65 | 5.7 | -176.6 | -57 | 95.7 | 0 | 0 | 0 | 115.2 | A122 V126 | A122-H124 PolarHBondContact O-N 3.43Å; H124-V126 PolarHBondContact O-N 3.5Å | ||
| 125 | N | 71.5 | Confident | 66.2 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | trans | -73.1 | 114.4 | 178.2 | -172 | -24.7 | 0 | 0 | 0 | 109.5 | Q123 H127 V128 I129 | Q123-N125 PolarHBondContact O-N 2.97Å; N125-H127 PolarHBondContact O-N 3.03Å; N125-H127 VanDerWaalsContact OD1-CB 3.3Å; N125-H127 WeakPolarHBondContact OD1-CB 3.45Å; N125-H127 PolarHBondContact OD1-N 3.41Å; N125-V128 HydrophobicContact CB-CB 4.47Å; N125-V128 HydrophobicContact CB-CG2 4.05Å; N125-V128 PolarHBondContact O-N 2.87Å; N125-I129 PolarHBondContact O-N 3.11Å; N125-I129 VanDerWaalsContact O-N 3.14Å | ||
| 126 | V | 75.8 | Confident | 67.2 | Low | 113 Ų | 113 | 108 Ų | 108 | 69% | 0.685 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -48.4 | -36.1 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | H124 I129 H130 | H124-V126 PolarHBondContact O-N 3.5Å; V126-I129 PolarHBondContact O-N 3.03Å; V126-H130 VanDerWaalsContact O-CB 3.28Å; V126-H130 WeakPolarHBondContact O-CB 3.41Å; V126-H130 PolarHBondContact O-N 3.43Å |
| 127 | H | 75.9 | Confident | 68.2 | Low | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -44.4 | 176.8 | -170.5 | 89.7 | 0 | 0 | 0 | 112.7 | N125 H130 Q131 | N125-H127 PolarHBondContact O-N 3.03Å; N125-H127 VanDerWaalsContact OD1-CB 3.3Å; N125-H127 WeakPolarHBondContact OD1-CB 3.45Å; N125-H127 PolarHBondContact OD1-N 3.41Å; H127-H130 PolarHBondContact O-N 3.12Å; H127-Q131 VanDerWaalsContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 3.45Å |
| 128 | V | 77.2 | Confident | 69.3 | Low | 42 Ų | 42 | 112.8 Ų | 112.8 | 26% | 0.255 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.8 | -38.9 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | N125 R132 | N125-V128 HydrophobicContact CB-CB 4.47Å; N125-V128 HydrophobicContact CB-CG2 4.05Å; N125-V128 PolarHBondContact O-N 2.87Å; V128-R132 WeakPolarHBondContact O-CB 3.16Å; V128-R132 PolarHBondContact O-N 2.96Å |
| 129 | I | 76.6 | Confident | 69.7 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -48.1 | 175 | -61.5 | 171.3 | 0 | 0 | 0 | 110 | N125 V126 R132 L133 | N125-I129 PolarHBondContact O-N 3.11Å; N125-I129 VanDerWaalsContact O-N 3.14Å; V126-I129 PolarHBondContact O-N 3.03Å; I129-R132 PolarHBondContact O-N 2.91Å; I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å |
| 130 | H | 80.2 | Confident | 69.6 | Low | 104 Ų | 104 | 110.3 Ų | 110.3 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -43.3 | 178.4 | -178.5 | -105.9 | 0 | 0 | 0 | 112.3 | V126 H127 R132 L133 Q134 | V126-H130 VanDerWaalsContact O-CB 3.28Å; V126-H130 WeakPolarHBondContact O-CB 3.41Å; V126-H130 PolarHBondContact O-N 3.43Å; H127-H130 PolarHBondContact O-N 3.12Å; H130-R132 PolarHBondContact O-N 3.2Å; H130-L133 WeakPolarHBondContact O-CB 3.38Å; H130-L133 PolarHBondContact O-N 2.96Å; H130-L133 VanDerWaalsContact O-N 3.17Å; H130-Q134 PolarHBondContact CE1-NE2 2.9Å; H130-Q134 WeakPolarHBondContact O-CG 3.29Å; H130-Q134 PolarHBondContact O-N 3.29Å |
| 131 | Q | 81.7 | Confident | 69.2 | Low | 88 Ų | 88 | 108 Ų | 108 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -45.5 | 174.3 | -173.9 | 178.4 | 19.9 | 0 | 0 | 111.4 | H127 L133 Q134 E135 | H127-Q131 VanDerWaalsContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 3.45Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.04Å; Q131-Q134 PolarHBondContact O-N 2.9Å; Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 2.92Å |
| 132 | R | 77.3 | Confident | 69.3 | Low | 138 Ų | 138 | 107.8 Ų | 107.8 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.8 | -39.6 | 173.7 | -113 | 68.7 | -137.3 | -148.5 | 5.2 | 112.3 | V128 I129 H130 Q134 E135 L136 | V128-R132 WeakPolarHBondContact O-CB 3.16Å; V128-R132 PolarHBondContact O-N 2.96Å; I129-R132 PolarHBondContact O-N 2.91Å; H130-R132 PolarHBondContact O-N 3.2Å; R132-Q134 VanDerWaalsContact C-N 3.31Å; R132-Q134 PolarHBondContact O-N 2.98Å; R132-E135 IonicContact CZ-OE1 3.68Å; R132-E135 IonicContact CZ-OE2 2.72Å; R132-E135 VanDerWaalsContact CZ-OE2 3.23Å; R132-E135 IonicContact NE-OE1 3.64Å; R132-E135 PolarHBondContact NE-OE1 3.33Å; R132-E135 IonicContact NE-OE2 3.23Å; R132-E135 PolarHBondContact NE-OE2 2.84Å; R132-E135 IonicContact NH2-OE1 3.34Å; R132-E135 PolarHBondContact NH2-OE1 3.18Å; R132-E135 IonicContact NH2-OE2 3.45Å; R132-E135 PolarHBondContact NH2-OE2 3.09Å; R132-E135 PolarHBondContact O-N 3.01Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.83Å |
| 133 | L | 81.9 | Confident | 68.8 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -37.5 | 176.8 | -142.4 | 78.5 | 0 | 0 | 0 | 111.7 | I129 H130 Q131 K137 | I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å; H130-L133 WeakPolarHBondContact O-CB 3.38Å; H130-L133 PolarHBondContact O-N 2.96Å; H130-L133 VanDerWaalsContact O-N 3.17Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.04Å; L133-K137 WeakPolarHBondContact O-CB 3.44Å; L133-K137 PolarHBondContact O-N 3.48Å |
| 134 | Q | 80.2 | Confident | 68.6 | Low | 98 Ų | 98 | 111.8 Ų | 111.8 | 46% | 0.458 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.7 | -42.6 | 173.7 | -70.6 | -175.8 | -20.1 | 0 | 0 | 112.5 | H130 Q131 R132 L136 K137 N138 | H130-Q134 PolarHBondContact CE1-NE2 2.9Å; H130-Q134 WeakPolarHBondContact O-CG 3.29Å; H130-Q134 PolarHBondContact O-N 3.29Å; Q131-Q134 PolarHBondContact O-N 2.9Å; R132-Q134 VanDerWaalsContact C-N 3.31Å; R132-Q134 PolarHBondContact O-N 2.98Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 2.95Å; Q134-K137 PolarHBondContact O-N 3.5Å; Q134-N138 WeakPolarHBondContact O-CB 3.28Å; Q134-N138 VanDerWaalsContact O-CG 3.24Å; Q134-N138 PolarHBondContact O-N 3.49Å |
| 135 | E | 78.9 | Confident | 68.2 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 31% | 0.308 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -55.9 | -45.6 | 172.6 | -73.3 | 172.1 | -161.2 | 0 | 0 | 111.2 | Q131 R132 N138 N139 | Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 2.92Å; R132-E135 IonicContact CZ-OE1 3.68Å; R132-E135 IonicContact CZ-OE2 2.72Å; R132-E135 VanDerWaalsContact CZ-OE2 3.23Å; R132-E135 IonicContact NE-OE1 3.64Å; R132-E135 PolarHBondContact NE-OE1 3.33Å; R132-E135 IonicContact NE-OE2 3.23Å; R132-E135 PolarHBondContact NE-OE2 2.84Å; R132-E135 IonicContact NH2-OE1 3.34Å; R132-E135 PolarHBondContact NH2-OE1 3.18Å; R132-E135 IonicContact NH2-OE2 3.45Å; R132-E135 PolarHBondContact NH2-OE2 3.09Å; R132-E135 PolarHBondContact O-N 3.01Å; E135-N138 PolarHBondContact O-N 3.33Å; E135-N139 WeakPolarHBondContact O-CB 3.42Å; E135-N139 VanDerWaalsContact O-CG 3.29Å; E135-N139 PolarHBondContact O-N 3.17Å; E135-N139 PolarHBondContact O-ND2 2.93Å; E135-N139 VanDerWaalsContact O-ND2 3.09Å |
| 136 | L | 71.6 | Confident | 67.5 | Low | 123 Ų | 123 | 111.3 Ų | 111.3 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 177.5 | -69.6 | 171.5 | 0 | 0 | 0 | 112.5 | R132 Q134 G140 | R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.83Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 2.95Å; L136-G140 WeakPolarHBondContact O-CA 3.49Å; L136-G140 PolarHBondContact O-N 2.74Å |
| 137 | K | 73.3 | Confident | 66.7 | Low | 176 Ų | 176 | 111.4 Ų | 111.4 | 77% | 0.765 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -35.9 | 176.2 | -174.8 | 171.8 | 178.4 | 178.1 | 0 | 112.4 | L133 Q134 | L133-K137 WeakPolarHBondContact O-CB 3.44Å; L133-K137 PolarHBondContact O-N 3.48Å; Q134-K137 PolarHBondContact O-N 3.5Å |
| 138 | N | 72.6 | Confident | 65.8 | Low | 132 Ų | 132 | 111.5 Ų | 111.5 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.6 | -30.2 | 179.1 | -67.9 | -8.3 | 0 | 0 | 0 | 112.6 | Q134 E135 | Q134-N138 WeakPolarHBondContact O-CB 3.28Å; Q134-N138 VanDerWaalsContact O-CG 3.24Å; Q134-N138 PolarHBondContact O-N 3.49Å; E135-N138 PolarHBondContact O-N 3.33Å |
| 139 | N | 62.9 | Low | 64.9 | Low | 134 Ų | 134 | 113.6 Ų | 113.6 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90.4 | -5 | 176.6 | -64.6 | -32.2 | 0 | 0 | 0 | 113.3 | E135 S141 | E135-N139 WeakPolarHBondContact O-CB 3.42Å; E135-N139 VanDerWaalsContact O-CG 3.29Å; E135-N139 PolarHBondContact O-N 3.17Å; E135-N139 PolarHBondContact O-ND2 2.93Å; E135-N139 VanDerWaalsContact O-ND2 3.09Å; N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.42Å |
| 140 | G | 50.4 | Low | 63.7 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 66% | 0.656 | S | S | * | * | trans | -81.1 | 42.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L136 | L136-G140 WeakPolarHBondContact O-CA 3.49Å; L136-G140 PolarHBondContact O-N 2.74Å | ||
| 141 | S | 47.6 | Very low | 62.1 | Low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | -98.3 | 110 | 166.7 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | N139 A143 | N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.42Å; S141-A143 PolarHBondContact O-N 2.88Å | ||
| 142 | P | 55 | Low | 61 | Low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -67 | 107.3 | 173.4 | 27.8 | -32 | 0 | 0 | 0 | 108.2 | K144 | P142-K144 PolarHBondContact O-N 3.19Š| ||
| 143 | A | 44.3 | Very low | 59.8 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | -57.5 | 102.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S141 | S141-A143 PolarHBondContact O-N 2.88Š| ||
| 144 | K | 45.8 | Very low | 58.2 | Low | 190 Ų | 190 | 122.2 Ų | 122.2 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 123.7 | 177.2 | -179.8 | 178.9 | -179.5 | 178.3 | 0 | 108.3 | P142 | P142-K144 PolarHBondContact O-N 3.19Š|
| 145 | P | 52.5 | Low | 56.6 | Low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.5 | 179.8 | 23.9 | -33 | 0 | 0 | 0 | 109.3 | ||
| 146 | P | 56.3 | Low | 55.1 | Low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.3 | 179.3 | 25.7 | -33.7 | 0 | 0 | 0 | 109.7 | ||
| 147 | P | 57.6 | Low | 53.7 | Low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.3 | 177.8 | 26.9 | -34.3 | 0 | 0 | 0 | 110.3 | A149 | P147-A149 PolarHBondContact O-N 3.06Š|
| 148 | P | 57.1 | Low | 52.5 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.2 | 179.6 | 25.2 | -33.7 | 0 | 0 | 0 | 110.3 | ||
| 149 | A | 58.7 | Low | 51.3 | Low | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P147 R151 | P147-A149 PolarHBondContact O-N 3.06Å; A149-R151 PolarHBondContact O-N 3.18Å |
| 150 | P | 52.8 | Low | 50.6 | Low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125 | 179.4 | 26 | -33.6 | 0 | 0 | 0 | 110.3 | V152 | P150-V152 PolarHBondContact O-N 3.16Š|
| 151 | R | 46.2 | Very low | 50.4 | Low | 246 Ų | 246 | 131.5 Ų | 131.5 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 98 | 170.6 | -75.2 | -177.6 | -179.9 | -117.5 | 0.5 | 109.1 | A149 S153 | A149-R151 PolarHBondContact O-N 3.18Å; R151-S153 PolarHBondContact O-N 3.3Å | ||
| 152 | V | 58.3 | Low | 50.3 | Low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -76.2 | 112.7 | 166.4 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | P150 | P150-V152 PolarHBondContact O-N 3.16Š| ||
| 153 | S | 52.5 | Low | 50.5 | Low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -62.1 | 140.4 | 177.4 | -58 | 0 | 0 | 0 | 0 | 111.3 | R151 A155 | R151-S153 PolarHBondContact O-N 3.3Å; S153-A155 PolarHBondContact O-N 3.11Å | ||
| 154 | P | 47.4 | Very low | 50.9 | Low | 136 Ų | 136 | 129.8 Ų | 129.8 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -76.4 | 87.4 | -178.8 | 31.2 | -34.5 | 0 | 0 | 0 | 110.8 | A156 | P154-A156 PolarHBondContact O-N 3.26Š| ||
| 155 | A | 47.5 | Very low | 51.2 | Low | 94 Ų | 94 | 127.3 Ų | 127.3 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -86.2 | 87.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S153 | S153-A155 PolarHBondContact O-N 3.11Š| ||
| 156 | A | 46 | Very low | 51.2 | Low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | 52 | 134.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121 | P154 | P154-A156 PolarHBondContact O-N 3.26Š| ||
| 157 | R | 43.6 | Very low | 50.8 | Low | 205 Ų | 205 | 133 Ų | 133 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | 116.9 | 115 | 117.5 | -161.7 | 168.9 | -177.6 | 158.2 | 5.8 | 117.4 | |||||
| 158 | Q | 47.2 | Very low | 50.9 | Low | 130 Ų | 130 | 132.9 Ų | 132.9 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | trans | 69.4 | 144.9 | 150.7 | -69.7 | 174.9 | -56 | 0 | 0 | 117.7 | ||||
| 159 | Q | 47.6 | Very low | 50.4 | Low | 150 Ų | 150 | 133.2 Ų | 133.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -166.8 | 176.8 | -15 | -123.7 | 164.1 | -23.6 | 0 | 0 | 109.4 | ||||
| 160 | Q | 47.8 | Very low | 49.8 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 96.2 | 96.6 | 150.8 | -139 | 91.5 | -12.1 | 0 | 0 | 119.8 | ||||
| 161 | L | 45.8 | Very low | 49.4 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | 28.3 | 152.5 | 128.1 | -71.8 | 83.8 | 0 | 0 | 0 | 121.2 | |||||
| 162 | A | 47.3 | Very low | 49.6 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | cis | 173.3 | -163.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 163 | P | 59 | Low | 49.2 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | -125.1 | -176.7 | -52.7 | 32.1 | -14.2 | 0 | 0 | 0 | 113.6 | |||||
| 164 | A | 51.7 | Low | 49.3 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 71.9 | 148.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 165 | D | 51.9 | Low | 48.8 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -154.7 | 165.8 | 13.2 | -125.4 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 166 | H | 52.9 | Low | 48.6 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 55.5 | 148.8 | 152.5 | 73.8 | -21.5 | 0 | 0 | 0 | 126.2 | ||||
| 167 | L | 48.3 | Very low | 48.2 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | -97.6 | -157.7 | -177.5 | -56.3 | 169.9 | 0 | 0 | 0 | 110 | ||||
| 168 | P | 58.8 | Low | 48.1 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | -149.6 | 173.8 | 0.3 | 44.4 | -23.4 | 0 | 0 | 0 | 120.2 | ||||
| 169 | V | 47.2 | Very low | 47.8 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | 74.2 | 142.1 | 135.5 | 157.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 170 | A | 46.2 | Very low | 47.3 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 81.9 | 152.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 171 | S | 45.3 | Very low | 47.2 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -175.5 | 144.2 | -29.9 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 172 | T | 48.4 | Very low | 46.7 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 50.9 | 116 | 149.2 | 47.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 173 | S | 51.1 | Low | 46.2 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | 55.3 | 165.6 | 108.6 | -52.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 174 | P | 54.5 | Low | 45.1 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -140.6 | -175.5 | 14.2 | 43.1 | -22.7 | 0 | 0 | 0 | 118.3 | ||||
| 175 | C | 36 | Very low | 44.6 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 158.5 | 171.7 | 175.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 176 | S | 43.8 | Very low | 44.2 | Very low | 122 Ų | 122 | 118 Ų | 118 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -166.2 | 133.5 | 133 | -80.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 177 | T | 37.8 | Very low | 43.9 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -95 | -176.3 | 167.3 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | V | 42.3 | Very low | 44.7 | Very low | 131 Ų | 131 | 115 Ų | 115 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 107.3 | 142.4 | 161.3 | 175.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 179 | T | 39.2 | Very low | 44.7 | Very low | 105 Ų | 105 | 115.2 Ų | 115.2 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | cis | -174.2 | 150.5 | -23.2 | -87.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 180 | T | 38.5 | Very low | 45.1 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | 15.6 | 143.8 | 164.4 | 60.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 181 | H | 44.7 | Very low | 45.2 | Very low | 182 Ų | 182 | 116.4 Ų | 116.4 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | 141.9 | 151 | 129 | -79.7 | -71.3 | 0 | 0 | 0 | 109.4 | |||||
| 182 | A | 36.6 | Very low | 45.2 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | 174.5 | 160.6 | -20.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 183 | A | 35.8 | Very low | 44.6 | Very low | 99 Ų | 99 | 117 Ų | 117 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 75.8 | 109.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 184 | A | 36.7 | Very low | 44.2 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | 102.4 | 144.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 185 | A | 41.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 123 Ų | 123 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 70.1 | 132.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 186 | A | 42.4 | Very low | 43.6 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | cis | -160 | 129.2 | -14.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 187 | L | 47.5 | Very low | 43.8 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | trans | 37.6 | 150 | 143.5 | -65.6 | 169.1 | 0 | 0 | 0 | 124.5 | ||||
| 188 | P | 65.7 | Low | 43.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | trans | -106.2 | -141.1 | -163.8 | 39.2 | -21.9 | 0 | 0 | 0 | 113 | ||||
| 189 | P | 57.2 | Low | 44.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -131.6 | -105.3 | 49.2 | 29.3 | -1.9 | 0 | 0 | 0 | 121.5 | ||||
| 190 | P | 56.8 | Low | 44.1 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | -135 | -177.5 | -118.9 | 38.9 | -18.9 | 0 | 0 | 0 | 119.6 | |||||
| 191 | M | 47.9 | Very low | 44.6 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 88.7 | 98 | 156.6 | -51.4 | -55.9 | -73.1 | 0 | 0 | 119.8 | ||||
| 192 | S | 46.1 | Very low | 44.6 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | -163.1 | 136.2 | 98.1 | 57.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 193 | C | 35 | Very low | 44.8 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -104.5 | 134.5 | -172.6 | -29.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 194 | F | 42 | Very low | 45 | Very low | 200 Ų | 200 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -159.8 | 107.5 | 142.3 | -105 | -67.8 | 0 | 0 | 0 | 111.6 | ||||
| 195 | H | 43.4 | Very low | 45.4 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 17 | 109.9 | 161.3 | -69.5 | -83.1 | 0 | 0 | 0 | 120.2 | ||||
| 196 | A | 34.4 | Very low | 45.4 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -67.1 | 138.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 197 | L | 49.1 | Very low | 45.2 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -132.3 | 89.9 | 150.8 | -76 | 178.9 | 0 | 0 | 0 | 106.5 | ||||
| 198 | D | 38.3 | Very low | 44.7 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -63 | 125.7 | 154.8 | -88.5 | -55.1 | 0 | 0 | 0 | 107.7 | ||||
| 199 | L | 49.6 | Very low | 43.5 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | -158.6 | 92.2 | 168.7 | -106.8 | 162.2 | 0 | 0 | 0 | 108.5 | ||||
| 200 | D | 37.7 | Very low | 42.5 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 21.9 | 100.1 | 153 | -53.7 | -50.5 | 0 | 0 | 0 | 118.1 | ||||
| 201 | L | 48 | Very low | 42.2 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -127.6 | 26.3 | 162.6 | -157.5 | 60.8 | 0 | 0 | 0 | 113.3 | Q203 A204 | L201-Q203 PolarHBondContact O-N 3.18Å; L201-Q203 VanDerWaalsContact O-N 3.08Å; L201-A204 HydrophobicContact CD1-CB 3.98Å; L201-A204 HydrophobicContact CG-CB 4.36Å | ||
| 202 | E | 44.4 | Very low | 41.9 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 60.2 | 166.9 | -82.9 | -81.7 | 123.7 | 0 | 0 | 110.8 | ||
| 203 | Q | 41.6 | Very low | 42.2 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.9 | -12 | 168.3 | -120.3 | 161.9 | 64.8 | 0 | 0 | 116.5 | L201 V205 | L201-Q203 PolarHBondContact O-N 3.18Å; L201-Q203 VanDerWaalsContact O-N 3.08Å; Q203-V205 PolarHBondContact O-N 3.35Å |
| 204 | A | 39.9 | Very low | 42.7 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 58% | 0.579 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 9.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L201 | L201-A204 HydrophobicContact CD1-CB 3.98Å; L201-A204 HydrophobicContact CG-CB 4.36Å |
| 205 | V | 45.7 | Very low | 42.7 | Very low | 150 Ų | 150 | 136 Ų | 136 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -1.6 | -175.7 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | Q203 | Q203-V205 PolarHBondContact O-N 3.35Š|
| 206 | A | 40 | Very low | 42.9 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -112.7 | -2.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 207 | T | 39.5 | Very low | 43.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -131 | 61.7 | -172.8 | 29.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 208 | A | 35.6 | Very low | 43.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -118.6 | 15.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 209 | A | 42.1 | Very low | 44 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -119.8 | 143.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 210 | M | 35.4 | Very low | 43.7 | Very low | 188 Ų | 188 | 140 Ų | 140 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | 78.7 | 73.7 | 179.4 | -50.9 | -177.6 | 166.3 | 0 | 0 | 117.5 | ||||
| 211 | T | 50.3 | Low | 44 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -134.5 | 101.7 | 138.9 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 212 | T | 42.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -85.4 | 162.3 | 168.3 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 213 | V | 51.3 | Low | 43.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | 64.2 | 138.5 | 166.3 | -65.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 214 | D | 46.8 | Very low | 43.5 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | -143.9 | 173.4 | 16.6 | -90.7 | -52 | 0 | 0 | 0 | 113.1 | ||||
| 215 | D | 41.1 | Very low | 43.9 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 60.2 | 93.1 | 153.6 | -59.6 | -33.2 | 0 | 0 | 0 | 121.9 | ||||
| 216 | A | 47.2 | Very low | 44.5 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -159 | 101.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 217 | E | 56.5 | Low | 44.8 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -2.9 | 122.9 | 160.8 | -64.1 | -64 | 130.2 | 0 | 0 | 119.3 | F219 | E217-F219 PolarHBondContact O-N 3.25Š| ||
| 218 | P | 45.2 | Very low | 45.5 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 111.4 | 168.9 | 32.1 | -31.1 | 0 | 0 | 0 | 111 | E220 | P218-E220 PolarHBondContact O-N 3.4Š| ||
| 219 | F | 42.9 | Very low | 46.1 | Very low | 198 Ų | 198 | 123 Ų | 123 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | -73.2 | 98.7 | 172.1 | -166.9 | -94.2 | 0 | 0 | 0 | 110.7 | E217 G221 | E217-F219 PolarHBondContact O-N 3.25Å; F219-G221 PolarHBondContact O-N 3.1Å | ||
| 220 | E | 43.6 | Very low | 46.7 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -52.5 | 94.2 | 166.9 | -78.3 | -79.9 | 142.1 | 0 | 0 | 110.6 | P218 | P218-E220 PolarHBondContact O-N 3.4Š| ||
| 221 | G | 43.8 | Very low | 47.8 | Very low | 57 Ų | 57 | 126.6 Ų | 126.6 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -148.8 | 21.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F219 G223 | F219-G221 PolarHBondContact O-N 3.1Å; G221-G223 PolarHBondContact O-N 3.42Å | ||
| 222 | G | 36.4 | Very low | 48.1 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 66.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | A224 | G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.2Å | ||
| 223 | G | 41.8 | Very low | 48.7 | Very low | 61 Ų | 61 | 128.6 Ų | 128.6 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 86.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G221 F225 | G221-G223 PolarHBondContact O-N 3.42Å; G223-F225 PolarHBondContact O-N 3.35Å | ||
| 224 | A | 45.8 | Very low | 49.2 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 102.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | G222 | G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.2Å | ||
| 225 | F | 49.5 | Very low | 50.6 | Low | 189 Ų | 189 | 126.2 Ų | 126.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 127.8 | 173.2 | -83.6 | -91.3 | 0 | 0 | 0 | 110 | G223 | G223-F225 PolarHBondContact O-N 3.35Š| ||
| 226 | P | 57.8 | Low | 52.4 | Low | 88 Ų | 88 | 124.6 Ų | 124.6 | 57% | 0.571 | 75% | 0.747 | S | S | * | * | trans | -66.5 | 138.4 | 177.7 | 27.2 | -33.7 | 0 | 0 | 0 | 110.4 | G228 A229 | P226-G228 PolarHBondContact O-N 3.06Å; P226-A229 PolarHBondContact O-N 2.99Å | ||
| 227 | P | 46.8 | Very low | 53.8 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 92% | 0.922 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 96.5 | 177.7 | 29.5 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 228 | G | 52.8 | Low | 54.8 | Low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.6 | -1.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | P226 D230 | P226-G228 PolarHBondContact O-N 3.06Å; G228-D230 PolarHBondContact O-N 2.79Å |
| 229 | A | 49.4 | Very low | 56.6 | Low | 69 Ų | 69 | 125.6 Ų | 125.6 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -77 | 119.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | P226 | P226-A229 PolarHBondContact O-N 2.99Š|
| 230 | D | 54.3 | Low | 58.6 | Low | 154 Ų | 154 | 118.8 Ų | 118.8 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 143.9 | 178.4 | -66.1 | -67.3 | 0 | 0 | 0 | 112 | G228 | G228-D230 PolarHBondContact O-N 2.79Š|
| 231 | K | 58.2 | Low | 60.4 | Low | 192 Ų | 192 | 113.9 Ų | 113.9 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 140 | 168.8 | -80.1 | 171.9 | 175.3 | 171.2 | 0 | 108.3 | Q233 | K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 3.24Å |
| 232 | P | 56.8 | Low | 62.2 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -61.8 | 97.9 | 170.3 | 26.6 | -33.1 | 0 | 0 | 0 | 108.1 | L234 | P232-L234 PolarHBondContact O-N 3.42Š| ||
| 233 | Q | 53.8 | Low | 64.4 | Low | 190 Ų | 190 | 119.6 Ų | 119.6 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -74.5 | 80.7 | 173.8 | -174.6 | 172 | -5.2 | 0 | 0 | 106.2 | K231 D235 | K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 3.24Å; Q233-D235 PolarHBondContact O-N 3.31Å | ||
| 234 | L | 62.8 | Low | 65.8 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | trans | -47 | 115.4 | 168.2 | -88 | 146.6 | 0 | 0 | 0 | 107.5 | P232 L236 | P232-L234 PolarHBondContact O-N 3.42Å; L234-L236 PolarHBondContact O-N 3.01Å; L234-L236 VanDerWaalsContact O-N 3.16Å | ||
| 235 | D | 75.4 | Confident | 67.3 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 48% | 0.481 | 65% | 0.65 | S | S | . | * | trans | -59.9 | 123.7 | 176.7 | -171.6 | -19.4 | 0 | 0 | 0 | 107.3 | Q233 R237 E238 F239 | Q233-D235 PolarHBondContact O-N 3.31Å; D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 VanDerWaalsContact O-N 3.17Å; D235-R237 PolarHBondContact OD1-N 3.38Å; D235-E238 HydrophobicContact CB-CB 4.35Å; D235-E238 HydrophobicContact CB-CG 4.41Å; D235-E238 PolarHBondContact O-N 2.84Å; D235-E238 VanDerWaalsContact O-N 3.09Å; D235-F239 PolarHBondContact O-N 3.34Å | ||
| 236 | L | 79.3 | Confident | 68.2 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.1 | -30.3 | -178 | -175.3 | 62.2 | 0 | 0 | 0 | 110.4 | L234 L240 | L234-L236 PolarHBondContact O-N 3.01Å; L234-L236 VanDerWaalsContact O-N 3.16Å; L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.35Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 WeakPolarHBondContact O-CG 3.23Å; L236-L240 PolarHBondContact O-N 3.48Å |
| 237 | R | 76.1 | Confident | 68.9 | Low | 184 Ų | 184 | 118.4 Ų | 118.4 | 69% | 0.694 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.5 | -52.3 | 172.6 | -79.9 | -174.5 | 165.1 | -139.2 | -4.7 | 112.1 | D235 F239 L240 Q241 L246 | D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 VanDerWaalsContact O-N 3.17Å; D235-R237 PolarHBondContact OD1-N 3.38Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.1Å; R237-L240 PolarHBondContact O-N 2.91Å; R237-Q241 VanDerWaalsContact O-CB 3.23Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 PolarHBondContact O-N 3.26Å; R237-L246 HydrophobicContact CG-CD2 4.32Å |
| 238 | E | 79.1 | Confident | 69.8 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59 | -43.6 | 177.1 | -78.5 | -161.2 | 143.3 | 0 | 0 | 111.5 | D235 Q241 Q242 | D235-E238 HydrophobicContact CB-CB 4.35Å; D235-E238 HydrophobicContact CB-CG 4.41Å; D235-E238 PolarHBondContact O-N 2.84Å; D235-E238 VanDerWaalsContact O-N 3.09Å; E238-Q241 PolarHBondContact O-N 2.85Å; E238-Q242 WeakPolarHBondContact O-CB 3.44Å; E238-Q242 PolarHBondContact O-N 2.9Å |
| 239 | F | 82.9 | Confident | 70.4 | Confident | 99 Ų | 99 | 118.7 Ų | 118.7 | 43% | 0.434 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.7 | -48.5 | 178.9 | -178.9 | -103.4 | 0 | 0 | 0 | 112 | D235 R237 Q241 Q242 I243 | D235-F239 PolarHBondContact O-N 3.34Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.1Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.16Å; F239-Q242 PolarHBondContact O-N 3.16Å; F239-I243 HydrophobicContact CD1-CD1 4.38Å; F239-I243 HydrophobicContact CE1-CD1 3.96Å; F239-I243 HydrophobicContact CE1-CG2 4.4Å; F239-I243 HydrophobicContact CE2-CG2 4.16Å; F239-I243 HydrophobicContact CZ-CG2 4.04Å; F239-I243 WeakPolarHBondContact O-CG1 3.34Å; F239-I243 PolarHBondContact O-N 3.09Å |
| 240 | L | 83.7 | Confident | 71 | Confident | 54 Ų | 54 | 122.2 Ų | 122.2 | 28% | 0.283 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.4 | -34.8 | 177.5 | -73.3 | 169.7 | 0 | 0 | 0 | 112.5 | L236 R237 I243 G244 V245 L246 | L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.35Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 WeakPolarHBondContact O-CG 3.23Å; L236-L240 PolarHBondContact O-N 3.48Å; R237-L240 PolarHBondContact O-N 2.91Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 WeakPolarHBondContact O-CG1 3.4Å; L240-G244 PolarHBondContact O-N 2.97Å; L240-V245 HydrophobicContact CD2-CB 4.22Å; L240-V245 HydrophobicContact CD2-CG1 3.96Å; L240-V245 PolarHBondContact O-N 3.47Å; L240-L246 HydrophobicContact CB-CB 3.93Å; L240-L246 PolarHBondContact O-N 3.21Å; L240-L246 VanDerWaalsContact O-N 3.09Å |
| 241 | Q | 81.7 | Confident | 71.1 | Confident | 83 Ų | 83 | 122.6 Ų | 122.6 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.1 | -40.2 | 178 | -160.2 | 149.9 | 69.3 | 0 | 0 | 111.2 | R237 E238 F239 I243 G244 T248 | R237-Q241 VanDerWaalsContact O-CB 3.23Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 PolarHBondContact O-N 3.26Å; E238-Q241 PolarHBondContact O-N 2.85Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.16Å; Q241-I243 PolarHBondContact O-N 3.35Å; Q241-G244 PolarHBondContact O-N 3.36Å; Q241-G244 VanDerWaalsContact O-N 3.08Å; Q241-T248 HydrophobicContact CG-CG2 4.19Å |
| 242 | Q | 81.2 | Confident | 70.6 | Confident | 167 Ų | 167 | 116.7 Ų | 116.7 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.7 | -29.2 | 177.8 | -168.2 | 168.5 | 17.6 | 0 | 0 | 113.6 | E238 F239 G244 | E238-Q242 WeakPolarHBondContact O-CB 3.44Å; E238-Q242 PolarHBondContact O-N 2.9Å; F239-Q242 PolarHBondContact O-N 3.16Å; Q242-G244 VanDerWaalsContact C-N 3.29Å |
| 243 | I | 82.2 | Confident | 70 | Confident | 91 Ų | 91 | 118 Ų | 118 | 47% | 0.467 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 0.4 | 170.2 | 68.9 | 175.8 | 0 | 0 | 0 | 113.4 | F239 L240 Q241 V245 | F239-I243 HydrophobicContact CD1-CD1 4.38Å; F239-I243 HydrophobicContact CE1-CD1 3.96Å; F239-I243 HydrophobicContact CE1-CG2 4.4Å; F239-I243 HydrophobicContact CE2-CG2 4.16Å; F239-I243 HydrophobicContact CZ-CG2 4.04Å; F239-I243 WeakPolarHBondContact O-CG1 3.34Å; F239-I243 PolarHBondContact O-N 3.09Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 WeakPolarHBondContact O-CG1 3.4Å; Q241-I243 PolarHBondContact O-N 3.35Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 HydrophobicContact CD1-CB 4.26Å; I243-V245 HydrophobicContact CD1-CG2 3.75Å; I243-V245 HydrophobicContact CG1-CB 4.06Å; I243-V245 HydrophobicContact CG1-CG2 3.76Å; I243-V245 PolarHBondContact O-N 3.11Å |
| 244 | G | 71.7 | Confident | 69.5 | Low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 16.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L240 Q241 Q242 | L240-G244 PolarHBondContact O-N 2.97Å; Q241-G244 PolarHBondContact O-N 3.36Å; Q241-G244 VanDerWaalsContact O-N 3.08Å; Q242-G244 VanDerWaalsContact C-N 3.29Å |
| 245 | V | 77.1 | Confident | 68.4 | Low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -84.2 | -31.2 | 177.1 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L240 I243 | L240-V245 HydrophobicContact CD2-CB 4.22Å; L240-V245 HydrophobicContact CD2-CG1 3.96Å; L240-V245 PolarHBondContact O-N 3.47Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 HydrophobicContact CD1-CB 4.26Å; I243-V245 HydrophobicContact CD1-CG2 3.75Å; I243-V245 HydrophobicContact CG1-CB 4.06Å; I243-V245 HydrophobicContact CG1-CG2 3.76Å; I243-V245 PolarHBondContact O-N 3.11Å |
| 246 | L | 70 | Confident | 67.1 | Low | 63 Ų | 63 | 113.7 Ų | 113.7 | 33% | 0.33 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -108.9 | 117.9 | 174.3 | -172.5 | 64.9 | 0 | 0 | 0 | 110.1 | R237 L240 | R237-L246 HydrophobicContact CG-CD2 4.32Å; L240-L246 HydrophobicContact CB-CB 3.93Å; L240-L246 PolarHBondContact O-N 3.21Å; L240-L246 VanDerWaalsContact O-N 3.09Å |
| 247 | K | 71.6 | Confident | 65.6 | Low | 178 Ų | 178 | 118.3 Ų | 118.3 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | trans | -71.3 | 149.9 | 169.8 | -81.2 | 173.8 | 177 | 167.8 | 0 | 110.1 | D249 | K247-D249 PolarHBondContact O-N 2.97Š| ||
| 248 | T | 64.8 | Low | 63.8 | Low | 82 Ų | 82 | 113.6 Ų | 113.6 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | -72.1 | 115.1 | 163.5 | 44 | 0 | 0 | 0 | 0 | 108.2 | Q241 D250 | Q241-T248 HydrophobicContact CG-CG2 4.19Å; T248-D250 PolarHBondContact O-N 3.41Å | ||
| 249 | D | 67.1 | Low | 61.9 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -77.6 | 98.7 | 165.3 | -64.1 | -47 | 0 | 0 | 0 | 107.3 | K247 D251 | K247-D249 PolarHBondContact O-N 2.97Å; D249-D251 PolarHBondContact O-N 3.09Å; D249-D251 VanDerWaalsContact O-N 3.13Å | ||
| 250 | D | 60.6 | Low | 60.1 | Low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | -73.6 | 99.2 | 177 | -71.3 | -56.6 | 0 | 0 | 0 | 109.7 | T248 G252 | T248-D250 PolarHBondContact O-N 3.41Å; D250-G252 VanDerWaalsContact C-N 3.34Å; D250-G252 PolarHBondContact O-N 2.91Å | ||
| 251 | D | 56.9 | Low | 58.2 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -63.9 | 87.4 | 178.1 | -85.9 | -42.1 | 0 | 0 | 0 | 112.6 | D249 | D249-D251 PolarHBondContact O-N 3.09Å; D249-D251 VanDerWaalsContact O-N 3.13Å | ||
| 252 | G | 47.9 | Very low | 56.3 | Low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 47.4 | 86.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | D250 | D250-G252 VanDerWaalsContact C-N 3.34Å; D250-G252 PolarHBondContact O-N 2.91Å | ||
| 253 | T | 43.7 | Very low | 54.3 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -138 | 116.7 | 145.4 | 14.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | A | 43 | Very low | 52.6 | Low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -21 | 136.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 255 | T | 41 | Very low | 51.4 | Low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | -176.6 | 111.6 | 103 | -72.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 256 | A | 46.9 | Very low | 50.1 | Low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 36.3 | 134.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 257 | K | 47.5 | Very low | 49.3 | Very low | 216 Ų | 216 | 125.6 Ų | 125.6 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | 80.6 | 107.3 | 148.6 | -72.9 | 179.4 | 177.3 | 179.6 | 0 | 119.9 | ||||
| 258 | G | 39.3 | Very low | 48.2 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -175.8 | 66.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 259 | S | 39.3 | Very low | 47.5 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -85.2 | 131.5 | 178.1 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 260 | L | 45.6 | Very low | 46.4 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -154.3 | 139.5 | 154.7 | -106.6 | 164.1 | 0 | 0 | 0 | 109.5 | ||||
| 261 | H | 42.1 | Very low | 45.7 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.787 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 158.6 | -175.2 | -87.9 | 44.9 | 0 | 0 | 0 | 113.6 | ||||
| 262 | G | 42.6 | Very low | 44.9 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -175.6 | 78.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 263 | D | 39.9 | Very low | 45.3 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -51.7 | 163.3 | 161.1 | -55.7 | -88.6 | 0 | 0 | 0 | 112.1 | ||||
| 264 | A | 45.3 | Very low | 46 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | -174.5 | 161.1 | -19.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 265 | A | 46.9 | Very low | 47.1 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 60.3 | 133.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 266 | D | 51 | Low | 48.6 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | -169.9 | 165.6 | 55.2 | -175.6 | 25.7 | 0 | 0 | 0 | 110.9 | |||||
| 267 | A | 52.6 | Low | 50.1 | Low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 46.1 | 114.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 268 | G | 47.5 | Very low | 51.7 | Low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 143.3 | 87.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F270 | G268-F270 PolarHBondContact O-N 3.04Š| ||
| 269 | C | 51.7 | Low | 53.6 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 89.6 | 177.2 | -80.2 | 0 | 0 | 0 | 0 | 112.9 | G271 | C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.43Å | ||
| 270 | F | 43.8 | Very low | 55.4 | Low | 206 Ų | 206 | 121.1 Ų | 121.1 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | trans | -83.4 | 78.8 | 151.1 | -110.2 | -89.8 | 0 | 0 | 0 | 108.8 | G268 | G268-F270 PolarHBondContact O-N 3.04Š| ||
| 271 | G | 45.6 | Very low | 57 | Low | 57 Ų | 57 | 116.8 Ų | 116.8 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | trans | -64.6 | 146.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C269 N273 | C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.43Å; G271-N273 PolarHBondContact O-N 2.87Å | ||
| 272 | G | 39.8 | Very low | 58.6 | Low | 65 Ų | 65 | 110.9 Ų | 110.9 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 137.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 273 | N | 56.3 | Low | 60.1 | Low | 160 Ų | 160 | 109.7 Ų | 109.7 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | -140.4 | 27.1 | 58.1 | -54.4 | -51.8 | 0 | 0 | 0 | 114.1 | G271 E275 | G271-N273 PolarHBondContact O-N 2.87Å; N273-E275 PolarHBondContact O-N 2.74Å; N273-E275 VanDerWaalsContact O-N 3.14Å | |
| 274 | G | 59.4 | Low | 61.9 | Low | 83 Ų | 83 | 107.6 Ų | 107.6 | 86% | 0.856 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 72.8 | -2.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 275 | E | 64.9 | Low | 63.2 | Low | 178 Ų | 178 | 108.9 Ų | 108.9 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -92.5 | 126.3 | 171.3 | -162.9 | 157.3 | 174.1 | 0 | 0 | 108.8 | N273 D277 | N273-E275 PolarHBondContact O-N 2.74Å; N273-E275 VanDerWaalsContact O-N 3.14Å; E275-D277 PolarHBondContact O-N 3.4Å |
| 276 | F | 72.9 | Confident | 64.2 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | -78.9 | 112.6 | -174.5 | 177.1 | -92.4 | 0 | 0 | 0 | 110.1 | W278 L281 | F276-W278 AromaticContact CD1-CD2 3.94Å; F276-W278 HydrophobicContact CD1-CD2 3.94Å; F276-W278 AromaticContact CD1-CE2 3.7Å; F276-W278 HydrophobicContact CD1-CG 4.15Å; F276-W278 HydrophobicContact CD1-CZ2 4.09Å; F276-W278 AromaticContact CD1-NE1 3.78Å; F276-W278 AromaticContact CE1-CD2 3.58Å; F276-W278 HydrophobicContact CE1-CD2 3.58Å; F276-W278 AromaticContact CE1-CE2 3.66Å; F276-W278 AromaticContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CG 4.11Å; F276-W278 AromaticContact CE1-CH2 4Å; F276-W278 HydrophobicContact CE1-CH2 4Å; F276-W278 AromaticContact CE1-CZ2 3.88Å; F276-W278 HydrophobicContact CE1-CZ2 3.88Å; F276-W278 AromaticContact CE1-CZ3 3.92Å; F276-W278 HydrophobicContact CE1-CZ3 3.92Å; F276-W278 PolarHBondContact O-N 2.95Å; F276-L281 HydrophobicContact CZ-CD1 4.15Å | ||
| 277 | D | 78.7 | Confident | 64.8 | Low | 94 Ų | 94 | 107.6 Ų | 107.6 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | trans | -81.1 | 106.9 | -180 | -171.6 | -11 | 0 | 0 | 0 | 111.1 | E275 D279 A280 L281 | E275-D277 PolarHBondContact O-N 3.4Å; D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 WeakPolarHBondContact OD1-CA 3.33Å; D277-D279 WeakPolarHBondContact OD1-CB 3.38Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D277-A280 HydrophobicContact CB-CB 3.85Å; D277-A280 PolarHBondContact OD1-N 2.9Å; D277-A280 VanDerWaalsContact OD1-N 3.17Å; D277-L281 PolarHBondContact O-N 2.93Å | ||
| 278 | W | 81.3 | Confident | 65.2 | Low | 187 Ų | 187 | 108.7 Ų | 108.7 | 71% | 0.708 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68 | -29.9 | 175.7 | -70.7 | 95.2 | 0 | 0 | 0 | 112.7 | F276 A282 | F276-W278 AromaticContact CD1-CD2 3.94Å; F276-W278 HydrophobicContact CD1-CD2 3.94Å; F276-W278 AromaticContact CD1-CE2 3.7Å; F276-W278 HydrophobicContact CD1-CG 4.15Å; F276-W278 HydrophobicContact CD1-CZ2 4.09Å; F276-W278 AromaticContact CD1-NE1 3.78Å; F276-W278 AromaticContact CE1-CD2 3.58Å; F276-W278 HydrophobicContact CE1-CD2 3.58Å; F276-W278 AromaticContact CE1-CE2 3.66Å; F276-W278 AromaticContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CG 4.11Å; F276-W278 AromaticContact CE1-CH2 4Å; F276-W278 HydrophobicContact CE1-CH2 4Å; F276-W278 AromaticContact CE1-CZ2 3.88Å; F276-W278 HydrophobicContact CE1-CZ2 3.88Å; F276-W278 AromaticContact CE1-CZ3 3.92Å; F276-W278 HydrophobicContact CE1-CZ3 3.92Å; F276-W278 PolarHBondContact O-N 2.95Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.87Å |
| 279 | D | 78.9 | Confident | 65.5 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.1 | -36.7 | 179.8 | -70.1 | -35.2 | 0 | 0 | 0 | 110.6 | D277 A282 A283 | D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 WeakPolarHBondContact OD1-CA 3.33Å; D277-D279 WeakPolarHBondContact OD1-CB 3.38Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D279-A282 PolarHBondContact O-N 2.99Å; D279-A283 PolarHBondContact O-N 3.06Å |
| 280 | A | 75.9 | Confident | 65.6 | Low | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.2 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D277 A283 D284 | D277-A280 HydrophobicContact CB-CB 3.85Å; D277-A280 PolarHBondContact OD1-N 2.9Å; D277-A280 VanDerWaalsContact OD1-N 3.17Å; A280-A283 PolarHBondContact O-N 3.37Å; A280-D284 PolarHBondContact O-N 3Å; A280-D284 VanDerWaalsContact O-N 3.08Å |
| 281 | L | 79.5 | Confident | 65.9 | Low | 82 Ų | 82 | 99.4 Ų | 99.4 | 43% | 0.429 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70 | -35.3 | 175.3 | -174.3 | 126.7 | 0 | 0 | 0 | 112.1 | F276 D277 A283 D284 L285 | F276-L281 HydrophobicContact CZ-CD1 4.15Å; D277-L281 PolarHBondContact O-N 2.93Å; L281-A283 VanDerWaalsContact C-N 3.31Å; L281-A283 PolarHBondContact O-N 2.98Å; L281-D284 PolarHBondContact O-N 2.84Å; L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 PolarHBondContact O-N 3.08Å |
| 282 | A | 77 | Confident | 65.9 | Low | 45 Ų | 45 | 105.9 Ų | 105.9 | 37% | 0.372 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.9 | -31.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W278 D279 N286 | W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.87Å; D279-A282 PolarHBondContact O-N 2.99Å; A282-N286 PolarHBondContact O-N 3.24Å; A282-N286 PolarHBondContact O-ND2 3.17Å |
| 283 | A | 73.9 | Confident | 65.8 | Low | 52 Ų | 52 | 106.5 Ų | 106.5 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.3 | -50.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | D279 A280 L281 L285 N286 D287 | D279-A283 PolarHBondContact O-N 3.06Å; A280-A283 PolarHBondContact O-N 3.37Å; L281-A283 VanDerWaalsContact C-N 3.31Å; L281-A283 PolarHBondContact O-N 2.98Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.35Å; A283-N286 PolarHBondContact O-N 3.26Å; A283-D287 PolarHBondContact O-N 3.39Å |
| 284 | D | 76.5 | Confident | 64.9 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60 | -39.2 | -179.3 | -156.9 | 49.3 | 0 | 0 | 0 | 111.9 | A280 L281 N286 D287 I288 | A280-D284 PolarHBondContact O-N 3Å; A280-D284 VanDerWaalsContact O-N 3.08Å; L281-D284 PolarHBondContact O-N 2.84Å; D284-N286 PolarHBondContact O-N 3.48Å; D284-D287 PolarHBondContact O-N 3.5Å; D284-I288 WeakPolarHBondContact O-CD1 3.33Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.47Å; D284-I288 PolarHBondContact O-N 3.04Å |
| 285 | L | 73.2 | Confident | 64.3 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 59% | 0.586 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -34.6 | 174.5 | -131.9 | 78.7 | 0 | 0 | 0 | 113.3 | L281 A283 A289 | L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 PolarHBondContact O-N 3.08Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.35Å; L285-A289 PolarHBondContact O-N 2.94Å |
| 286 | N | 68.4 | Low | 63.3 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75 | -36.6 | 176.5 | -83.8 | -46.3 | 0 | 0 | 0 | 112 | A282 A283 D284 A289 G290 | A282-N286 PolarHBondContact O-N 3.24Å; A282-N286 PolarHBondContact O-ND2 3.17Å; A283-N286 PolarHBondContact O-N 3.26Å; D284-N286 PolarHBondContact O-N 3.48Å; N286-A289 PolarHBondContact O-N 3.3Å; N286-A289 VanDerWaalsContact O-N 3.15Å; N286-G290 PolarHBondContact O-N 3.35Å |
| 287 | D | 64 | Low | 61.8 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 174.9 | -82.1 | -29.5 | 0 | 0 | 0 | 111.5 | A283 D284 A289 G290 A291 | A283-D287 PolarHBondContact O-N 3.39Å; D284-D287 PolarHBondContact O-N 3.5Å; D287-A289 VanDerWaalsContact C-N 3.26Å; D287-A289 PolarHBondContact O-N 2.88Å; D287-G290 PolarHBondContact O-N 3.4Å; D287-A291 VanDerWaalsContact O-CB 3.24Å; D287-A291 WeakPolarHBondContact O-CB 3.37Å; D287-A291 PolarHBondContact O-N 2.87Å |
| 288 | I | 59.1 | Low | 59.6 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 57% | 0.574 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.8 | -35.2 | 170.8 | -68.3 | 162.1 | 0 | 0 | 0 | 111.6 | D284 | D284-I288 WeakPolarHBondContact O-CD1 3.33Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.47Å; D284-I288 PolarHBondContact O-N 3.04Å |
| 289 | A | 55.7 | Low | 57.9 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 69% | 0.694 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.9 | -25.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L285 N286 D287 | L285-A289 PolarHBondContact O-N 2.94Å; N286-A289 PolarHBondContact O-N 3.3Å; N286-A289 VanDerWaalsContact O-N 3.15Å; D287-A289 VanDerWaalsContact C-N 3.26Å; D287-A289 PolarHBondContact O-N 2.88Å |
| 290 | G | 52.2 | Low | 56.1 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.1 | -27.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N286 D287 H292 | N286-G290 PolarHBondContact O-N 3.35Å; D287-G290 PolarHBondContact O-N 3.4Å; G290-H292 PolarHBondContact O-N 3.02Å |
| 291 | A | 50.1 | Low | 54.9 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | -90.4 | 40.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | D287 | D287-A291 VanDerWaalsContact O-CB 3.24Å; D287-A291 WeakPolarHBondContact O-CB 3.37Å; D287-A291 PolarHBondContact O-N 2.87Å | ||
| 292 | H | 47 | Very low | 53.3 | Low | 192 Ų | 192 | 110.5 Ų | 110.5 | 89% | 0.889 | 70% | 0.698 | S | S | * | * | trans | -117 | 43.8 | 169.7 | -92 | -65.2 | 0 | 0 | 0 | 113.4 | G290 | G290-H292 PolarHBondContact O-N 3.02Š| ||
| 293 | G | 37.5 | Very low | 51.6 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | -124 | 77.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 294 | G | 37.5 | Very low | 50.7 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 174.5 | 121.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 295 | A | 45.2 | Very low | 49.2 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | 64 | 102 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 296 | N | 44.5 | Very low | 47.6 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | trans | 59.4 | 88.2 | 131.8 | -59.5 | -28.1 | 0 | 0 | 0 | 119.4 | ||||
| 297 | G | 41.9 | Very low | 46.7 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -161.8 | 76.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F299 | G297-F299 PolarHBondContact O-N 2.89Š| ||
| 298 | G | 32.6 | Very low | 45.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -68.6 | 128.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 299 | F | 45.2 | Very low | 44.8 | Very low | 209 Ų | 209 | 131 Ų | 131 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -129.5 | 102.7 | 155.5 | -85.6 | -82.3 | 0 | 0 | 0 | 108.6 | G297 | G297-F299 PolarHBondContact O-N 2.89Š| ||
| 300 | Q | 40.7 | Very low | 44 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -85.3 | 123 | 169.3 | -176.8 | 173.9 | -16.2 | 0 | 0 | 107.5 | D302 | Q300-D302 PolarHBondContact NE2-OD1 2.88Š| ||
| 301 | M | 51 | Low | 43.2 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -138.2 | 118.8 | 171.2 | -169.2 | 79.6 | -175.7 | 0 | 0 | 106.5 | ||||
| 302 | D | 47.1 | Very low | 43 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 65% | 0.647 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 157.8 | -155.3 | -51.3 | -85.4 | 0 | 0 | 0 | 115.1 | Q300 | Q300-D302 PolarHBondContact NE2-OD1 2.88Š| ||
| 303 | D | 41.1 | Very low | 43.1 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -56 | 131.9 | 175.9 | -68.2 | -74.5 | 0 | 0 | 0 | 113.1 | ||||
| 304 | L | 55.1 | Low | 44 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -128.5 | 97.9 | 160.3 | -78.9 | 179.1 | 0 | 0 | 0 | 110.7 | ||||
| 305 | H | 45 | Very low | 44.8 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 20.1 | 106.5 | 147 | -81.6 | -92.4 | 0 | 0 | 0 | 118 | V307 | H305-V307 PolarHBondContact O-N 3.26Š| ||
| 306 | E | 38.3 | Very low | 45.6 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | 33.5 | 93.2 | 111.4 | -167.2 | 178.2 | -151.7 | 0 | 0 | 116.1 | |||||
| 307 | V | 49.1 | Very low | 46.3 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -128.3 | 112.6 | 145.7 | -161.8 | 0 | 0 | 0 | 0 | 107.4 | H305 | H305-V307 PolarHBondContact O-N 3.26Š| ||
| 308 | D | 40 | Very low | 47.3 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -70.3 | 172.1 | -178.7 | -159.2 | -4.2 | 0 | 0 | 0 | 111.8 | ||||
| 309 | Q | 43.3 | Very low | 48.6 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | 88.1 | 139.1 | 157.8 | -140.2 | 160.6 | 74.4 | 0 | 0 | 119 | ||||
| 310 | F | 39.5 | Very low | 49 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | trans | 80.1 | 82.9 | 179.2 | -60.1 | -76.3 | 0 | 0 | 0 | 117.9 | T312 | F310-T312 PolarHBondContact O-N 3.25Š| ||
| 311 | G | 35.3 | Very low | 49.5 | Very low | 85 Ų | 85 | 142.5 Ų | 142.5 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | -67.6 | 126.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 312 | T | 47.1 | Very low | 49.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -120 | 85.8 | 164.3 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | F310 L314 | F310-T312 PolarHBondContact O-N 3.25Å; T312-L314 PolarHBondContact O-N 2.97Å | ||
| 313 | C | 48.7 | Very low | 49.5 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 100.9 | 162 | 175.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 314 | L | 55.3 | Low | 50 | Low | 139 Ų | 139 | 140.7 Ų | 140.7 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -105.3 | 135.8 | 168.3 | -67.5 | 179 | 0 | 0 | 0 | 108.3 | T312 I316 | T312-L314 PolarHBondContact O-N 2.97Å; L314-I316 PolarHBondContact O-N 3.37Å | ||
| 315 | P | 54.7 | Low | 49.7 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.2 | -171.9 | 27.3 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 316 | I | 61.4 | Low | 50 | Low | 123 Ų | 123 | 138.3 Ų | 138.3 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.2 | 168.9 | -59.1 | 173.3 | 0 | 0 | 0 | 108.1 | L314 D320 | L314-I316 PolarHBondContact O-N 3.37Å; I316-D320 HydrophobicContact CG2-CB 3.77Å |
| 317 | P | 60.3 | Low | 50.8 | Low | 69 Ų | 69 | 136.1 Ų | 136.1 | 45% | 0.448 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -70 | 146.5 | 175.7 | 31 | -35.1 | 0 | 0 | 0 | 110.7 | W319 D320 | P317-W319 PolarHBondContact O-N 3.22Å; P317-D320 PolarHBondContact O-N 2.91Å |
| 318 | V | 61.9 | Low | 50.9 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 10.2 | -171 | 77.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 319 | W | 60.1 | Low | 51.7 | Low | 226 Ų | 226 | 135.1 Ų | 135.1 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 5.9 | 177.3 | -15.5 | 104.3 | 0 | 0 | 0 | 112.6 | P317 | P317-W319 PolarHBondContact O-N 3.22Š|
| 320 | D | 54.7 | Low | 52.4 | Low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | trans | -131.7 | 44.3 | -170.5 | -145.5 | 18.5 | 0 | 0 | 0 | 109.4 | I316 P317 | I316-D320 HydrophobicContact CG2-CB 3.77Å; P317-D320 PolarHBondContact O-N 2.91Å | ||
| 321 | V | 50.2 | Low | 53.6 | Low | 192 Ų | 192 | 129.5 Ų | 129.5 | 100% | 1.164 | 76% | 0.758 | S | S | * | * | trans | -137.4 | 0 | 178 | -179.3 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 321 of 321 residues in 199.6 ms
(Link to these results)