| 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 | 54.2 | Low | 60.5 | Low | 238 Ų | 238 | 121.8 Ų | 121.8 | 100% | 1.172 | 65% | 0.645 | S | S | * | * | 0 | 101.1 | 0 | -66.4 | -91.7 | -129.9 | 0 | 0 | 107.8 | K3 | M1-K3 PolarHBondContact O-N 3.16Š| |||
| 2 | S | 66.4 | Low | 60.2 | Low | 83 Ų | 83 | 118.2 Ų | 118.2 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | trans | -62.6 | 136.4 | -171.1 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | L4 P5 | S2-L4 PolarHBondContact O-N 3.31Å; S2-P5 WeakPolarHBondContact O-CD 3.35Å | ||
| 3 | K | 67.3 | Low | 59.9 | Low | 181 Ų | 181 | 119.8 Ų | 119.8 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -78.5 | -2 | 173 | -66.5 | -178.3 | 180 | 177.7 | 0 | 112.3 | M1 V6 F7 | M1-K3 PolarHBondContact O-N 3.16Å; K3-V6 PolarHBondContact O-N 2.9Å; K3-F7 WeakPolarHBondContact O-CB 3.31Å; K3-F7 PolarHBondContact O-N 3.23Å |
| 4 | L | 61 | Low | 59.3 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.8 | -42.8 | 178.8 | -81.4 | 160.7 | 0 | 0 | 0 | 115.2 | S2 V6 F7 A8 | S2-L4 PolarHBondContact O-N 3.31Å; L4-V6 VanDerWaalsContact C-N 3.3Å; L4-V6 PolarHBondContact O-N 3.07Å; L4-F7 PolarHBondContact O-N 2.92Å; L4-A8 WeakPolarHBondContact O-CB 3.34Å; L4-A8 PolarHBondContact O-N 3.42Å |
| 5 | P | 66.9 | Low | 58.4 | Low | 75 Ų | 75 | 111.7 Ų | 111.7 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.5 | -25.6 | 177.8 | 25.9 | -26.2 | 0 | 0 | 0 | 112.4 | S2 K9 | S2-P5 WeakPolarHBondContact O-CD 3.35Å; P5-K9 WeakPolarHBondContact O-CB 3.41Å; P5-K9 PolarHBondContact O-N 3.16Å |
| 6 | V | 62.8 | Low | 57.9 | Low | 98 Ų | 98 | 116.3 Ų | 116.3 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -38 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | K3 L4 T10 | K3-V6 PolarHBondContact O-N 2.9Å; L4-V6 VanDerWaalsContact C-N 3.3Å; L4-V6 PolarHBondContact O-N 3.07Å; V6-T10 WeakPolarHBondContact O-CG2 3.3Å; V6-T10 PolarHBondContact O-N 2.7Å; V6-T10 PolarHBondContact O-OG1 3.03Å |
| 7 | F | 57.8 | Low | 57.6 | Low | 141 Ų | 141 | 118.4 Ų | 118.4 | 62% | 0.618 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.3 | -37.4 | 175.1 | -154.1 | -92.2 | 0 | 0 | 0 | 112.2 | K3 L4 T10 L11 | K3-F7 WeakPolarHBondContact O-CB 3.31Å; K3-F7 PolarHBondContact O-N 3.23Å; L4-F7 PolarHBondContact O-N 2.92Å; F7-T10 WeakPolarHBondContact CA-OG1 3.41Å; F7-T10 PolarHBondContact O-OG1 2.99Å; F7-L11 HydrophobicContact CE1-CD1 4.19Å; F7-L11 PolarHBondContact O-N 3.06Å |
| 8 | A | 60.4 | Low | 57.2 | Low | 59 Ų | 59 | 124.8 Ų | 124.8 | 49% | 0.488 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.3 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L4 L11 A12 | L4-A8 WeakPolarHBondContact O-CB 3.34Å; L4-A8 PolarHBondContact O-N 3.42Å; A8-L11 PolarHBondContact O-N 3.43Å; A8-A12 PolarHBondContact O-N 3.04Å |
| 9 | K | 57.6 | Low | 57 | Low | 152 Ų | 152 | 123.9 Ų | 123.9 | 66% | 0.661 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.7 | -43.3 | 172.2 | -87.3 | -177.4 | 172 | -177.8 | 0 | 111.9 | P5 L11 A12 D13 | P5-K9 WeakPolarHBondContact O-CB 3.41Å; P5-K9 PolarHBondContact O-N 3.16Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.46Å; K9-A12 PolarHBondContact O-N 3.49Å; K9-D13 VanDerWaalsContact O-CB 3.27Å; K9-D13 WeakPolarHBondContact O-CB 3.21Å; K9-D13 PolarHBondContact O-N 3.36Å |
| 10 | T | 57.1 | Low | 57.2 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 44% | 0.436 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.1 | -29.7 | 176.4 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | V6 F7 M14 | V6-T10 WeakPolarHBondContact O-CG2 3.3Å; V6-T10 PolarHBondContact O-N 2.7Å; V6-T10 PolarHBondContact O-OG1 3.03Å; F7-T10 WeakPolarHBondContact CA-OG1 3.41Å; F7-T10 PolarHBondContact O-OG1 2.99Å; T10-M14 WeakPolarHBondContact O-CB 3.46Å; T10-M14 VanDerWaalsContact O-CE 3.25Å; T10-M14 WeakPolarHBondContact O-CE 3.14Å; T10-M14 WeakPolarHBondContact O-CG 3.4Å; T10-M14 PolarHBondContact O-N 3.46Å |
| 11 | L | 53.5 | Low | 58 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78 | -35.8 | 176.7 | -136.6 | 94.3 | 0 | 0 | 0 | 113.9 | F7 A8 K9 M14 | F7-L11 HydrophobicContact CE1-CD1 4.19Å; F7-L11 PolarHBondContact O-N 3.06Å; A8-L11 PolarHBondContact O-N 3.43Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.46Å; L11-M14 HydrophobicContact CB-CE 4.22Å; L11-M14 HydrophobicContact CD1-CE 3.49Å; L11-M14 VanDerWaalsContact CD1-CE 3.49Å; L11-M14 HydrophobicContact CG-CE 3.88Å; L11-M14 WeakPolarHBondContact O-CB 3.5Å; L11-M14 PolarHBondContact O-N 3.31Å |
| 12 | A | 57.5 | Low | 59.1 | Low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.8 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A8 K9 M14 G15 | A8-A12 PolarHBondContact O-N 3.04Å; K9-A12 PolarHBondContact O-N 3.49Å; A12-M14 PolarHBondContact O-N 3.04Å; A12-G15 PolarHBondContact O-N 3.31Å; A12-G15 VanDerWaalsContact O-N 3.14Å |
| 13 | D | 55.9 | Low | 59.8 | Low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -7.1 | 170.1 | -74.2 | -24 | 0 | 0 | 0 | 112.6 | K9 G15 | K9-D13 VanDerWaalsContact O-CB 3.27Å; K9-D13 WeakPolarHBondContact O-CB 3.21Å; K9-D13 PolarHBondContact O-N 3.36Å; D13-G15 PolarHBondContact O-N 3.22Å |
| 14 | M | 52.5 | Low | 60.6 | Low | 62 Ų | 62 | 128 Ų | 128 | 31% | 0.305 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | 11.7 | 167.1 | -84.3 | -171.8 | -59.6 | 0 | 0 | 113.3 | T10 L11 A12 H16 K17 | T10-M14 WeakPolarHBondContact O-CB 3.46Å; T10-M14 VanDerWaalsContact O-CE 3.25Å; T10-M14 WeakPolarHBondContact O-CE 3.14Å; T10-M14 WeakPolarHBondContact O-CG 3.4Å; T10-M14 PolarHBondContact O-N 3.46Å; L11-M14 HydrophobicContact CB-CE 4.22Å; L11-M14 HydrophobicContact CD1-CE 3.49Å; L11-M14 VanDerWaalsContact CD1-CE 3.49Å; L11-M14 HydrophobicContact CG-CE 3.88Å; L11-M14 WeakPolarHBondContact O-CB 3.5Å; L11-M14 PolarHBondContact O-N 3.31Å; A12-M14 PolarHBondContact O-N 3.04Å; M14-H16 PolarHBondContact O-N 3.01Å; M14-K17 HydrophobicContact CB-CD 4.44Å; M14-K17 HydrophobicContact CB-CG 4.4Å; M14-K17 HydrophobicContact CG-CD 3.55Å; M14-K17 VanDerWaalsContact CG-CE 3.41Å; M14-K17 HydrophobicContact CG-CG 3.89Å; M14-K17 PolarHBondContact O-N 2.81Å; M14-K17 HydrophobicContact SD-CD 3.48Å; M14-K17 WeakPolarHBondContact SD-CD 3.28Å; M14-K17 WeakPolarHBondContact SD-CE 3.39Å; M14-K17 HydrophobicContact SD-CG 4.42Å; M14-K17 PolarHBondContact SD-NZ 3.48Å |
| 15 | G | 45.6 | Very low | 61.8 | Low | 55 Ų | 55 | 129.2 Ų | 129.2 | 57% | 0.567 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | 102.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A12 D13 | A12-G15 PolarHBondContact O-N 3.31Å; A12-G15 VanDerWaalsContact O-N 3.14Å; D13-G15 PolarHBondContact O-N 3.22Å |
| 16 | H | 49.9 | Very low | 62.7 | Low | 186 Ų | 186 | 133 Ų | 133 | 86% | 0.861 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 46.6 | -173.8 | -47.4 | -45.6 | 0 | 0 | 0 | 116.2 | M14 R18 | M14-H16 PolarHBondContact O-N 3.01Å; H16-R18 VanDerWaalsContact C-N 3.27Å; H16-R18 PolarHBondContact O-N 3.2Å |
| 17 | K | 52.3 | Low | 63.9 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | trans | -58.4 | 100.4 | 151.9 | -97.6 | -170.1 | -174.2 | 168.4 | 0 | 108.3 | M14 V19 | M14-K17 HydrophobicContact CB-CD 4.44Å; M14-K17 HydrophobicContact CB-CG 4.4Å; M14-K17 HydrophobicContact CG-CD 3.55Å; M14-K17 VanDerWaalsContact CG-CE 3.41Å; M14-K17 HydrophobicContact CG-CG 3.89Å; M14-K17 PolarHBondContact O-N 2.81Å; M14-K17 HydrophobicContact SD-CD 3.48Å; M14-K17 WeakPolarHBondContact SD-CD 3.28Å; M14-K17 WeakPolarHBondContact SD-CE 3.39Å; M14-K17 HydrophobicContact SD-CG 4.42Å; M14-K17 PolarHBondContact SD-NZ 3.48Å; K17-V19 PolarHBondContact O-N 3.24Å | ||
| 18 | R | 50.3 | Low | 65.3 | Low | 235 Ų | 235 | 133 Ų | 133 | 89% | 0.887 | 65% | 0.651 | S | S | * | * | trans | -40.7 | 106.9 | 173.7 | -69.9 | -178.9 | 179.1 | -161.4 | -0.2 | 108.4 | H16 R20 | H16-R18 VanDerWaalsContact C-N 3.27Å; H16-R18 PolarHBondContact O-N 3.2Å; R18-R20 PolarHBondContact O-N 3.35Å | ||
| 19 | V | 53.7 | Low | 66.7 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 65% | 0.648 | 65% | 0.654 | S | S | * | * | trans | -57.1 | 111.1 | 169.2 | -170.9 | 0 | 0 | 0 | 0 | 104.8 | K17 K21 | K17-V19 PolarHBondContact O-N 3.24Å; V19-K21 WeakPolarHBondContact CG1-O 3.34Å; V19-K21 PolarHBondContact O-N 3.01Å | ||
| 20 | R | 62.3 | Low | 68.3 | Low | 256 Ų | 256 | 135.4 Ų | 135.4 | 97% | 0.966 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -59.4 | -14.1 | -177.2 | -71.2 | -167.8 | 177.4 | -164 | 0.7 | 112.4 | R18 | R18-R20 PolarHBondContact O-N 3.35Š|
| 21 | K | 73.2 | Confident | 70 | Confident | 173 Ų | 173 | 135.4 Ų | 135.4 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -113.2 | 139.6 | 178 | -60.5 | -178.2 | -180 | -179.7 | 0 | 109.2 | V19 P23 | V19-K21 WeakPolarHBondContact CG1-O 3.34Å; V19-K21 PolarHBondContact O-N 3.01Å; K21-P23 VanDerWaalsContact O-CD 3.25Å; K21-P23 WeakPolarHBondContact O-CD 3.21Å |
| 22 | N | 76.6 | Confident | 71.8 | Confident | 100 Ų | 100 | 135.7 Ų | 135.7 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | trans | -61.8 | 119 | 176.6 | -162 | 25.5 | 0 | 0 | 0 | 110.1 | Y26 P27 | N22-Y26 PolarHBondContact ND2-O 3.5Å; N22-Y26 WeakPolarHBondContact OD1-CB 3.31Å; N22-P27 PolarHBondContact ND2-O 3.33Å | ||
| 23 | P | 82.1 | Confident | 73.2 | Confident | 49 Ų | 49 | 138 Ų | 138 | 32% | 0.318 | 67% | 0.669 | S | S | . | * | trans | -55.7 | 148.2 | 174 | -22.9 | 30.7 | 0 | 0 | 0 | 111.5 | K21 I25 Y26 | K21-P23 VanDerWaalsContact O-CD 3.25Å; K21-P23 WeakPolarHBondContact O-CD 3.21Å; P23-I25 PolarHBondContact O-N 3.12Å; P23-Y26 HydrophobicContact CB-CD2 3.88Å; P23-Y26 HydrophobicContact CB-CE2 4.32Å; P23-Y26 HydrophobicContact CG-CD2 3.73Å; P23-Y26 HydrophobicContact CG-CE2 3.93Å; P23-Y26 PolarHBondContact O-N 2.68Å | ||
| 24 | R | 83.9 | Confident | 74.9 | Confident | 259 Ų | 259 | 139.2 Ų | 139.2 | 98% | 0.977 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -24.2 | -177.5 | -69.8 | -174.7 | 178.4 | -149.1 | 1.5 | 113.8 | ||
| 25 | I | 86.2 | Confident | 76.9 | Confident | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -32.8 | -178.8 | -51.8 | 172.4 | 0 | 0 | 0 | 111.3 | P23 | P23-I25 PolarHBondContact O-N 3.12Š|
| 26 | Y | 85.2 | Confident | 79.1 | Confident | 153 Ų | 153 | 145.6 Ų | 145.6 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82.8 | 134.6 | -178.1 | -70.8 | -72.2 | 0 | 0 | 0 | 110.6 | N22 P23 | N22-Y26 PolarHBondContact ND2-O 3.5Å; N22-Y26 WeakPolarHBondContact OD1-CB 3.31Å; P23-Y26 HydrophobicContact CB-CD2 3.88Å; P23-Y26 HydrophobicContact CB-CE2 4.32Å; P23-Y26 HydrophobicContact CG-CD2 3.73Å; P23-Y26 HydrophobicContact CG-CE2 3.93Å; P23-Y26 PolarHBondContact O-N 2.68Å |
| 27 | P | 88.2 | Confident | 81.2 | Confident | 97 Ų | 97 | 145.9 Ų | 145.9 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 154.9 | 175.7 | 26.8 | -33.8 | 0 | 0 | 0 | 110.4 | N22 F33 | N22-P27 PolarHBondContact ND2-O 3.33Å; P27-F33 HydrophobicContact CB-CZ 4.2Å |
| 28 | K | 88.5 | Confident | 83.2 | Confident | 142 Ų | 142 | 145.4 Ų | 145.4 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 153.3 | 167.7 | -70.9 | -179.1 | 179.9 | 175.2 | 0 | 108.9 | K30 F33 | K28-K30 PolarHBondContact O-N 3.38Å; K28-F33 HydrophobicContact CB-CD2 4.37Å; K28-F33 HydrophobicContact CB-CE2 4.31Å; K28-F33 HydrophobicContact CB-CZ 4.49Å; K28-F33 WeakPolarHBondContact O-CE2 3.29Å |
| 29 | A | 88.4 | Confident | 85.3 | Confident | 65 Ų | 65 | 139.3 Ų | 139.3 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 142.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G31 K32 F33 | A29-G31 PolarHBondContact O-N 3.18Å; A29-G31 VanDerWaalsContact O-N 3.11Å; A29-K32 HydrophobicContact CB-CG 4.21Å; A29-K32 WeakPolarHBondContact O-CA 3.33Å; A29-K32 PolarHBondContact O-N 3.41Å; A29-F33 WeakPolarHBondContact O-CD2 3.45Å; A29-F33 PolarHBondContact O-N 3.23Å |
| 30 | K | 91.7 | Very high | 87.3 | Confident | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -47 | -44.6 | -179.7 | -67.7 | -172.3 | -179.9 | -178.7 | 0 | 112.4 | K28 K32 F33 | K28-K30 PolarHBondContact O-N 3.38Å; K30-K32 VanDerWaalsContact C-N 3.27Å; K30-K32 PolarHBondContact O-N 2.94Å; K30-F33 PolarHBondContact O-N 2.81Å |
| 31 | G | 92.9 | Very high | 88.9 | Confident | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -72.8 | -3.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | A29 | A29-G31 PolarHBondContact O-N 3.18Å; A29-G31 VanDerWaalsContact O-N 3.11Å |
| 32 | K | 91 | Very high | 89.9 | Confident | 117 Ų | 117 | 128.8 Ų | 128.8 | 51% | 0.509 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -108.2 | -8.9 | 176.3 | -60.7 | -66 | -173.5 | -178.1 | 0 | 113.2 | A29 K30 L34 K35 | A29-K32 HydrophobicContact CB-CG 4.21Å; A29-K32 WeakPolarHBondContact O-CA 3.33Å; A29-K32 PolarHBondContact O-N 3.41Å; K30-K32 VanDerWaalsContact C-N 3.27Å; K30-K32 PolarHBondContact O-N 2.94Å; K32-L34 VanDerWaalsContact C-N 3.3Å; K32-L34 PolarHBondContact O-N 2.86Å; K32-K35 HydrophobicContact CD-CB 4.46Å; K32-K35 HydrophobicContact CD-CD 3.95Å; K32-K35 PolarHBondContact O-N 2.83Å |
| 33 | F | 88 | Confident | 90.9 | Very high | 125 Ų | 125 | 128 Ų | 128 | 55% | 0.548 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -59 | -42.2 | -179.1 | -89.4 | -89.2 | 0 | 0 | 0 | 112.4 | P27 K28 A29 K30 | P27-F33 HydrophobicContact CB-CZ 4.2Å; K28-F33 HydrophobicContact CB-CD2 4.37Å; K28-F33 HydrophobicContact CB-CE2 4.31Å; K28-F33 HydrophobicContact CB-CZ 4.49Å; K28-F33 WeakPolarHBondContact O-CE2 3.29Å; A29-F33 WeakPolarHBondContact O-CD2 3.45Å; A29-F33 PolarHBondContact O-N 3.23Å; K30-F33 PolarHBondContact O-N 2.81Å |
| 34 | L | 91.4 | Very high | 91.6 | Very high | 167 Ų | 167 | 130.5 Ų | 130.5 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -107.6 | 6.1 | -177.8 | -57.2 | 176.4 | 0 | 0 | 0 | 112.8 | K32 V36 | K32-L34 VanDerWaalsContact C-N 3.3Å; K32-L34 PolarHBondContact O-N 2.86Å; L34-V36 PolarHBondContact O-N 2.85Å; L34-V36 VanDerWaalsContact O-N 3.09Å |
| 35 | K | 92.9 | Very high | 92.2 | Very high | 141 Ų | 141 | 122.7 Ų | 122.7 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | trans | -77.7 | 99.3 | -179.5 | -174.1 | 174.9 | -177.2 | 166.7 | 0 | 110.1 | K32 | K32-K35 HydrophobicContact CD-CB 4.46Å; K32-K35 HydrophobicContact CD-CD 3.95Å; K32-K35 PolarHBondContact O-N 2.83Å | ||
| 36 | V | 93.3 | Very high | 92.7 | Very high | 109 Ų | 109 | 121.1 Ų | 121.1 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | trans | -84.1 | 125.8 | 165.8 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | L34 Q38 | L34-V36 PolarHBondContact O-N 2.85Å; L34-V36 VanDerWaalsContact O-N 3.09Å; V36-Q38 PolarHBondContact O-N 3.49Å | ||
| 37 | R | 93.8 | Very high | 93.3 | Very high | 193 Ų | 193 | 116.6 Ų | 116.6 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | trans | -69.7 | 115.5 | 173 | 174.2 | 177.5 | 166.2 | 86.6 | 5 | 107.4 | T40 | R37-T40 PolarHBondContact NH2-OG1 3.19Š| ||
| 38 | Q | 94.2 | Very high | 93.7 | Very high | 141 Ų | 141 | 114.9 Ų | 114.9 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139 | 168.9 | -60.5 | -56.2 | -31.7 | 0 | 0 | 109 | V36 T40 | V36-Q38 PolarHBondContact O-N 3.49Å; Q38-T40 PolarHBondContact O-N 2.92Å |
| 39 | P | 94.5 | Very high | 94.2 | Very high | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 140.9 | 173 | 26.2 | -32.8 | 0 | 0 | 0 | 108.9 | ||
| 40 | T | 94.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 111.2 Ų | 111.2 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 132.3 | 170.1 | -56.5 | 0 | 0 | 0 | 0 | 107.2 | R37 Q38 V42 | R37-T40 PolarHBondContact NH2-OG1 3.19Å; Q38-T40 PolarHBondContact O-N 2.92Å; T40-V42 WeakPolarHBondContact O-CG2 3.42Å; T40-V42 PolarHBondContact O-N 3.12Å |
| 41 | P | 95 | Very high | 94.9 | Very high | 127 Ų | 127 | 107.8 Ų | 107.8 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 129.9 | 172.5 | -25.2 | 34.5 | 0 | 0 | 0 | 109.7 | ||
| 42 | V | 95.2 | Very high | 95.1 | Very high | 99 Ų | 99 | 110.8 Ų | 110.8 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | trans | -108.5 | 127.9 | -176.8 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | T40 D47 | T40-V42 WeakPolarHBondContact O-CG2 3.42Å; T40-V42 PolarHBondContact O-N 3.12Å; V42-D47 HydrophobicContact CG1-CB 3.5Å | ||
| 43 | D | 96.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 112.9 Ų | 112.9 | 44% | 0.444 | 59% | 0.587 | S | S | . | * | trans | -70.5 | 120.1 | 169 | -178 | -17.2 | 0 | 0 | 0 | 108.5 | V45 E46 D47 | D43-V45 PolarHBondContact O-N 3.35Å; D43-V45 PolarHBondContact OD1-N 3.28Å; D43-E46 HydrophobicContact CB-CB 3.89Å; D43-E46 PolarHBondContact O-N 3.1Å; D43-D47 PolarHBondContact O-N 3.44Å | ||
| 44 | P | 96.8 | Very high | 95.9 | Very high | 102 Ų | 102 | 114.1 Ų | 114.1 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.1 | -29.3 | -178.2 | 25.4 | -35.6 | 0 | 0 | 0 | 113.1 | A48 | P44-A48 WeakPolarHBondContact O-CB 3.36Å; P44-A48 PolarHBondContact O-N 2.86Å |
| 45 | V | 97.5 | Very high | 96.2 | Very high | 95 Ų | 95 | 110.7 Ų | 110.7 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.9 | -46.1 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | D43 D47 A48 L49 | D43-V45 PolarHBondContact O-N 3.35Å; D43-V45 PolarHBondContact OD1-N 3.28Å; V45-D47 PolarHBondContact O-N 2.95Å; V45-A48 PolarHBondContact O-N 3.42Å; V45-L49 HydrophobicContact CG1-CD1 4.35Å; V45-L49 WeakPolarHBondContact O-CG 3.4Å; V45-L49 PolarHBondContact O-N 2.93Å; V45-L49 VanDerWaalsContact O-N 3.13Å |
| 46 | E | 97.3 | Very high | 96.5 | Very high | 124 Ų | 124 | 107.4 Ų | 107.4 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -41.1 | 178.3 | -169.7 | -175 | 174.7 | 0 | 0 | 111.8 | D43 L49 S50 | D43-E46 HydrophobicContact CB-CB 3.89Å; D43-E46 PolarHBondContact O-N 3.1Å; E46-L49 PolarHBondContact O-N 3.48Å; E46-S50 VanDerWaalsContact O-CB 3.25Å; E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.39Å |
| 47 | D | 97.2 | Very high | 96.7 | Very high | 59 Ų | 59 | 108.1 Ų | 108.1 | 32% | 0.316 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -41 | 179.5 | -177.4 | 57.4 | 0 | 0 | 0 | 112.4 | V42 D43 V45 S50 K51 | V42-D47 HydrophobicContact CG1-CB 3.5Å; D43-D47 PolarHBondContact O-N 3.44Å; V45-D47 PolarHBondContact O-N 2.95Å; D47-S50 PolarHBondContact O-N 3.26Å; D47-K51 WeakPolarHBondContact O-CB 3.37Å; D47-K51 VanDerWaalsContact O-CG 3.3Å; D47-K51 WeakPolarHBondContact O-CG 3.45Å; D47-K51 PolarHBondContact O-N 2.75Å; D47-K51 VanDerWaalsContact OD1-CE 3.3Å; D47-K51 WeakPolarHBondContact OD1-CE 3.42Å; D47-K51 IonicContact OD1-NZ 3.19Å; D47-K51 VanDerWaalsContact OD2-CE 3.26Å; D47-K51 WeakPolarHBondContact OD2-CE 3.31Å; D47-K51 IonicContact OD2-NZ 3.63Å; D47-K51 PolarHBondContact OD2-NZ 2.79Å |
| 48 | A | 97.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 105.2 Ų | 105.2 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P44 V45 K52 | P44-A48 WeakPolarHBondContact O-CB 3.36Å; P44-A48 PolarHBondContact O-N 2.86Å; V45-A48 PolarHBondContact O-N 3.42Å; A48-K52 PolarHBondContact O-N 3.39Å; A48-K52 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 104.1 Ų | 104.1 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 176.1 | -70.4 | 175.4 | 0 | 0 | 0 | 111.7 | V45 E46 K51 K52 W53 | V45-L49 HydrophobicContact CG1-CD1 4.35Å; V45-L49 WeakPolarHBondContact O-CG 3.4Å; V45-L49 PolarHBondContact O-N 2.93Å; V45-L49 VanDerWaalsContact O-N 3.13Å; E46-L49 PolarHBondContact O-N 3.48Å; L49-K51 PolarHBondContact O-N 2.92Å; L49-K52 PolarHBondContact O-N 3.42Å; L49-W53 HydrophobicContact CB-CH2 4.45Å; L49-W53 HydrophobicContact CB-CZ2 4.34Å; L49-W53 WeakPolarHBondContact O-CB 3.42Å; L49-W53 VanDerWaalsContact O-CG 3.25Å; L49-W53 PolarHBondContact O-N 2.99Å |
| 50 | S | 97.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 105.4 Ų | 105.4 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | -180 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | E46 D47 W54 | E46-S50 VanDerWaalsContact O-CB 3.25Å; E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.39Å; D47-S50 PolarHBondContact O-N 3.26Å; S50-W54 WeakPolarHBondContact O-CB 3.31Å; S50-W54 PolarHBondContact O-N 3.38Å |
| 51 | K | 97.2 | Very high | 97.4 | Very high | 125 Ų | 125 | 107 Ų | 107 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.4 | -76.2 | 169.6 | 177.8 | 165.4 | 0 | 111.9 | D47 L49 W54 V55 | D47-K51 WeakPolarHBondContact O-CB 3.37Å; D47-K51 VanDerWaalsContact O-CG 3.3Å; D47-K51 WeakPolarHBondContact O-CG 3.45Å; D47-K51 PolarHBondContact O-N 2.75Å; D47-K51 VanDerWaalsContact OD1-CE 3.3Å; D47-K51 WeakPolarHBondContact OD1-CE 3.42Å; D47-K51 IonicContact OD1-NZ 3.19Å; D47-K51 VanDerWaalsContact OD2-CE 3.26Å; D47-K51 WeakPolarHBondContact OD2-CE 3.31Å; D47-K51 IonicContact OD2-NZ 3.63Å; D47-K51 PolarHBondContact OD2-NZ 2.79Å; L49-K51 PolarHBondContact O-N 2.92Å; K51-W54 PolarHBondContact O-N 2.9Å; K51-V55 WeakPolarHBondContact O-CG2 3.47Å; K51-V55 PolarHBondContact O-N 3.18Å; K51-V55 VanDerWaalsContact O-N 3.12Å |
| 52 | K | 97.4 | Very high | 97.6 | Very high | 134 Ų | 134 | 105.4 Ų | 105.4 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.9 | -52 | 176.7 | -176.1 | 178.4 | 177 | -179 | 0 | 111 | A48 L49 W54 V55 D56 | A48-K52 PolarHBondContact O-N 3.39Å; A48-K52 VanDerWaalsContact O-N 3.14Å; L49-K52 PolarHBondContact O-N 3.42Å; K52-W54 VanDerWaalsContact C-N 3.29Å; K52-W54 PolarHBondContact O-N 3.21Å; K52-V55 PolarHBondContact O-N 3.06Å; K52-D56 PolarHBondContact O-N 2.96Å |
| 53 | W | 98 | Very high | 97.7 | Very high | 160 Ų | 160 | 103.7 Ų | 103.7 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -34.9 | 179.2 | -65 | -19 | 0 | 0 | 0 | 112.9 | L49 D56 Y57 | L49-W53 HydrophobicContact CB-CH2 4.45Å; L49-W53 HydrophobicContact CB-CZ2 4.34Å; L49-W53 WeakPolarHBondContact O-CB 3.42Å; L49-W53 VanDerWaalsContact O-CG 3.25Å; L49-W53 PolarHBondContact O-N 2.99Å; W53-D56 PolarHBondContact O-N 3.36Å; W53-Y57 WeakPolarHBondContact O-CB 3.43Å; W53-Y57 PolarHBondContact O-N 3.37Å |
| 54 | W | 98.3 | Very high | 97.8 | Very high | 152 Ų | 152 | 103.1 Ų | 103.1 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 176.3 | -179.7 | -110.4 | 0 | 0 | 0 | 112.3 | S50 K51 K52 Y57 R58 | S50-W54 WeakPolarHBondContact O-CB 3.31Å; S50-W54 PolarHBondContact O-N 3.38Å; K51-W54 PolarHBondContact O-N 2.9Å; K52-W54 VanDerWaalsContact C-N 3.29Å; K52-W54 PolarHBondContact O-N 3.21Å; W54-Y57 AromaticContact CE3-CD1 3.9Å; W54-Y57 HydrophobicContact CE3-CD1 3.9Å; W54-Y57 HydrophobicContact CE3-CE1 4.47Å; W54-Y57 HydrophobicContact CH2-CD1 4.4Å; W54-Y57 HydrophobicContact CH2-CE1 4.28Å; W54-Y57 AromaticContact CZ3-CD1 3.71Å; W54-Y57 HydrophobicContact CZ3-CD1 3.71Å; W54-Y57 AromaticContact CZ3-CE1 3.82Å; W54-Y57 HydrophobicContact CZ3-CE1 3.82Å; W54-R58 WeakPolarHBondContact O-CB 3.35Å; W54-R58 PolarHBondContact O-N 3.44Å |
| 55 | V | 98.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -47.7 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | K51 K52 R58 L59 | K51-V55 WeakPolarHBondContact O-CG2 3.47Å; K51-V55 PolarHBondContact O-N 3.18Å; K51-V55 VanDerWaalsContact O-N 3.12Å; K52-V55 PolarHBondContact O-N 3.06Å; V55-R58 PolarHBondContact O-N 2.88Å; V55-L59 WeakPolarHBondContact O-CB 3.36Å; V55-L59 PolarHBondContact O-N 3.17Å |
| 56 | D | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 103.8 Ų | 103.8 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 178.8 | -66.3 | -20.2 | 0 | 0 | 0 | 111.5 | K52 W53 L59 Q60 | K52-D56 PolarHBondContact O-N 2.96Å; W53-D56 PolarHBondContact O-N 3.36Å; D56-L59 PolarHBondContact O-N 3.5Å; D56-Q60 WeakPolarHBondContact O-CG 3.48Å; D56-Q60 PolarHBondContact O-N 3.14Å; D56-Q60 VanDerWaalsContact O-N 3.09Å |
| 57 | Y | 98.3 | Very high | 97.9 | Very high | 124 Ų | 124 | 102.1 Ų | 102.1 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.6 | 168 | -102.1 | 0 | 0 | 0 | 111.8 | W53 W54 L59 Q60 Y61 | W53-Y57 WeakPolarHBondContact O-CB 3.43Å; W53-Y57 PolarHBondContact O-N 3.37Å; W54-Y57 AromaticContact CE3-CD1 3.9Å; W54-Y57 HydrophobicContact CE3-CD1 3.9Å; W54-Y57 HydrophobicContact CE3-CE1 4.47Å; W54-Y57 HydrophobicContact CH2-CD1 4.4Å; W54-Y57 HydrophobicContact CH2-CE1 4.28Å; W54-Y57 AromaticContact CZ3-CD1 3.71Å; W54-Y57 HydrophobicContact CZ3-CD1 3.71Å; W54-Y57 AromaticContact CZ3-CE1 3.82Å; W54-Y57 HydrophobicContact CZ3-CE1 3.82Å; Y57-L59 VanDerWaalsContact C-N 3.31Å; Y57-L59 PolarHBondContact O-N 2.83Å; Y57-Q60 PolarHBondContact O-N 3.32Å; Y57-Y61 WeakPolarHBondContact O-CB 3.33Å; Y57-Y61 PolarHBondContact O-N 2.97Å |
| 58 | R | 98 | Very high | 98 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | -177.8 | -175.8 | 173.4 | 178.2 | 169.1 | 2 | 111.5 | W54 V55 Y61 E62 | W54-R58 WeakPolarHBondContact O-CB 3.35Å; W54-R58 PolarHBondContact O-N 3.44Å; V55-R58 PolarHBondContact O-N 2.88Å; R58-Y61 PolarHBondContact O-N 2.9Å; R58-E62 HydrophobicContact CG-CG 4.4Å; R58-E62 IonicContact CZ-OE1 2.93Å; R58-E62 IonicContact NE-OE1 2.78Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 IonicContact NH2-OE1 3.79Å; R58-E62 WeakPolarHBondContact O-CB 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.06Å |
| 59 | L | 98 | Very high | 98 | Very high | 118 Ų | 118 | 107 Ų | 107 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -48.3 | 174.3 | 179.8 | 65 | 0 | 0 | 0 | 111.4 | V55 D56 Y57 Y61 E62 A63 | V55-L59 WeakPolarHBondContact O-CB 3.36Å; V55-L59 PolarHBondContact O-N 3.17Å; D56-L59 PolarHBondContact O-N 3.5Å; Y57-L59 VanDerWaalsContact C-N 3.31Å; Y57-L59 PolarHBondContact O-N 2.83Å; L59-Y61 PolarHBondContact O-N 3.11Å; L59-E62 PolarHBondContact O-N 2.8Å; L59-A63 PolarHBondContact O-N 3.45Å |
| 60 | Q | 98.2 | Very high | 98 | Very high | 134 Ų | 134 | 110.3 Ų | 110.3 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 177.1 | -68.9 | 174.3 | 11.4 | 0 | 0 | 111.9 | D56 Y57 A63 V64 | D56-Q60 WeakPolarHBondContact O-CG 3.48Å; D56-Q60 PolarHBondContact O-N 3.14Å; D56-Q60 VanDerWaalsContact O-N 3.09Å; Y57-Q60 PolarHBondContact O-N 3.32Å; Q60-A63 WeakPolarHBondContact O-CB 3.49Å; Q60-A63 PolarHBondContact O-N 3.07Å; Q60-V64 WeakPolarHBondContact O-CG2 3.5Å; Q60-V64 PolarHBondContact O-N 3.25Å |
| 61 | Y | 98.2 | Very high | 98.1 | Very high | 123 Ų | 123 | 111.7 Ų | 111.7 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.5 | 177.1 | -98.8 | 0 | 0 | 0 | 112.3 | Y57 R58 L59 A63 V64 R65 | Y57-Y61 WeakPolarHBondContact O-CB 3.33Å; Y57-Y61 PolarHBondContact O-N 2.97Å; R58-Y61 PolarHBondContact O-N 2.9Å; L59-Y61 PolarHBondContact O-N 3.11Å; Y61-A63 VanDerWaalsContact C-N 3.32Å; Y61-A63 PolarHBondContact O-N 3.42Å; Y61-V64 PolarHBondContact O-N 2.95Å; Y61-R65 WeakPolarHBondContact O-CB 3.4Å; Y61-R65 PolarHBondContact O-N 3.27Å |
| 62 | E | 98.1 | Very high | 98.1 | Very high | 92 Ų | 92 | 110.4 Ų | 110.4 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 177.1 | -75.4 | 178.2 | -172.6 | 0 | 0 | 111.5 | R58 L59 R65 S66 | R58-E62 HydrophobicContact CG-CG 4.4Å; R58-E62 IonicContact CZ-OE1 2.93Å; R58-E62 IonicContact NE-OE1 2.78Å; R58-E62 PolarHBondContact NE-OE1 2.92Å; R58-E62 IonicContact NH2-OE1 3.79Å; R58-E62 WeakPolarHBondContact O-CB 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.06Å; L59-E62 PolarHBondContact O-N 2.8Å; E62-R65 PolarHBondContact O-N 2.93Å; E62-S66 WeakPolarHBondContact O-CB 3.48Å; E62-S66 PolarHBondContact O-N 3.32Å |
| 63 | A | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 110.5 Ų | 110.5 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L59 Q60 Y61 R65 S66 L67 | L59-A63 PolarHBondContact O-N 3.45Å; Q60-A63 WeakPolarHBondContact O-CB 3.49Å; Q60-A63 PolarHBondContact O-N 3.07Å; Y61-A63 VanDerWaalsContact C-N 3.32Å; Y61-A63 PolarHBondContact O-N 3.42Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.92Å; A63-S66 PolarHBondContact O-N 2.95Å; A63-L67 PolarHBondContact O-N 3.04Å |
| 64 | V | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 109.1 Ų | 109.1 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | Q60 Y61 S66 L67 F68 | Q60-V64 WeakPolarHBondContact O-CG2 3.5Å; Q60-V64 PolarHBondContact O-N 3.25Å; Y61-V64 PolarHBondContact O-N 2.95Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.47Å; V64-L67 WeakPolarHBondContact O-CB 3.47Å; V64-L67 PolarHBondContact O-N 2.88Å; V64-F68 HydrophobicContact CG1-CD2 4Å; V64-F68 HydrophobicContact CG1-CE2 3.52Å; V64-F68 HydrophobicContact CG1-CZ 3.94Å; V64-F68 PolarHBondContact O-N 3.42Å |
| 65 | R | 98.1 | Very high | 98 | Very high | 139 Ų | 139 | 107.4 Ų | 107.4 | 53% | 0.525 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.5 | -174.5 | 179.1 | -179.8 | -171.2 | 0.7 | 111.8 | Y61 E62 A63 L67 F68 Q69 | Y61-R65 WeakPolarHBondContact O-CB 3.4Å; Y61-R65 PolarHBondContact O-N 3.27Å; E62-R65 PolarHBondContact O-N 2.93Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.92Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-F68 PolarHBondContact O-N 3.47Å; R65-Q69 WeakPolarHBondContact O-CG 3.49Å; R65-Q69 PolarHBondContact O-N 3.49Å |
| 66 | S | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 107.8 Ų | 107.8 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | E62 A63 V64 Q69 Y70 | E62-S66 WeakPolarHBondContact O-CB 3.48Å; E62-S66 PolarHBondContact O-N 3.32Å; A63-S66 PolarHBondContact O-N 2.95Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.47Å; S66-Q69 PolarHBondContact O-N 2.91Å; S66-Y70 PolarHBondContact O-N 3.23Å |
| 67 | L | 98.3 | Very high | 97.9 | Very high | 90 Ų | 90 | 107.9 Ų | 107.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 174.3 | -173.9 | 95 | 0 | 0 | 0 | 110.8 | A63 V64 R65 Q69 Y70 E71 | A63-L67 PolarHBondContact O-N 3.04Å; V64-L67 WeakPolarHBondContact O-CB 3.47Å; V64-L67 PolarHBondContact O-N 2.88Å; R65-L67 VanDerWaalsContact C-N 3.34Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.47Å; L67-Y70 WeakPolarHBondContact O-CB 3.25Å; L67-Y70 PolarHBondContact O-N 3.01Å; L67-Y70 VanDerWaalsContact O-N 3.15Å; L67-E71 WeakPolarHBondContact O-CG 3.4Å; L67-E71 PolarHBondContact O-N 3.37Å |
| 68 | F | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 106 Ų | 106 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 178.9 | -67.9 | -31.9 | 0 | 0 | 0 | 113 | V64 R65 Y70 E71 I72 | V64-F68 HydrophobicContact CG1-CD2 4Å; V64-F68 HydrophobicContact CG1-CE2 3.52Å; V64-F68 HydrophobicContact CG1-CZ 3.94Å; V64-F68 PolarHBondContact O-N 3.42Å; R65-F68 PolarHBondContact O-N 3.47Å; F68-Y70 VanDerWaalsContact C-N 3.33Å; F68-E71 PolarHBondContact O-N 3.37Å; F68-I72 WeakPolarHBondContact O-CB 3.38Å; F68-I72 WeakPolarHBondContact O-CD1 3.4Å; F68-I72 WeakPolarHBondContact O-CG1 3.42Å; F68-I72 PolarHBondContact O-N 3.37Å |
| 69 | Q | 98.1 | Very high | 97.5 | Very high | 109 Ų | 109 | 102.5 Ų | 102.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 173.7 | -76.1 | 176.9 | -16.5 | 0 | 0 | 111.7 | R65 S66 L67 Y73 | R65-Q69 WeakPolarHBondContact O-CG 3.49Å; R65-Q69 PolarHBondContact O-N 3.49Å; S66-Q69 PolarHBondContact O-N 2.91Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.47Å; Q69-Y73 WeakPolarHBondContact O-CB 3.24Å; Q69-Y73 PolarHBondContact O-N 3Å |
| 70 | Y | 98.3 | Very high | 97.3 | Very high | 147 Ų | 147 | 100.7 Ų | 100.7 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 175.7 | 172.2 | -98 | 0 | 0 | 0 | 112 | S66 L67 F68 Y73 R74 | S66-Y70 PolarHBondContact O-N 3.23Å; L67-Y70 WeakPolarHBondContact O-CB 3.25Å; L67-Y70 PolarHBondContact O-N 3.01Å; L67-Y70 VanDerWaalsContact O-N 3.15Å; F68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-Y73 PolarHBondContact O-N 3.33Å; Y70-R74 VanDerWaalsContact O-CB 3.3Å; Y70-R74 WeakPolarHBondContact O-CB 3.45Å; Y70-R74 PolarHBondContact O-N 3.12Å |
| 71 | E | 98.1 | Very high | 97 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 38% | 0.379 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.5 | -72.8 | -179.3 | 166.3 | 0 | 0 | 112.2 | L67 F68 Y73 R74 H75 | L67-E71 WeakPolarHBondContact O-CG 3.4Å; L67-E71 PolarHBondContact O-N 3.37Å; F68-E71 PolarHBondContact O-N 3.37Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.01Å; E71-R74 PolarHBondContact O-N 3.11Å; E71-H75 WeakPolarHBondContact O-CB 3.4Å; E71-H75 PolarHBondContact O-CD2 3.38Å; E71-H75 PolarHBondContact O-N 3.17Å |
| 72 | I | 97.9 | Very high | 96.6 | Very high | 99 Ų | 99 | 93.9 Ų | 93.9 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.6 | -69.7 | 166.1 | 0 | 0 | 0 | 110.4 | F68 H75 Q76 | F68-I72 WeakPolarHBondContact O-CB 3.38Å; F68-I72 WeakPolarHBondContact O-CD1 3.4Å; F68-I72 WeakPolarHBondContact O-CG1 3.42Å; F68-I72 PolarHBondContact O-N 3.37Å; I72-H75 PolarHBondContact O-N 2.99Å; I72-Q76 VanDerWaalsContact O-CG 3.3Å; I72-Q76 WeakPolarHBondContact O-CG 3.43Å; I72-Q76 PolarHBondContact O-N 3.24Å |
| 73 | Y | 97.8 | Very high | 96.2 | Very high | 136 Ų | 136 | 92 Ų | 92 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 179.3 | -179.6 | -101.3 | 0 | 0 | 0 | 111.9 | Q69 Y70 E71 H75 Q76 M77 | Q69-Y73 WeakPolarHBondContact O-CB 3.24Å; Q69-Y73 PolarHBondContact O-N 3Å; Y70-Y73 PolarHBondContact O-N 3.33Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.01Å; Y73-H75 PolarHBondContact O-N 2.9Å; Y73-Q76 WeakPolarHBondContact O-CB 3.37Å; Y73-Q76 PolarHBondContact O-N 3.37Å; Y73-M77 HydrophobicContact CD1-CG 4.25Å; Y73-M77 HydrophobicContact CD2-CE 4.35Å; Y73-M77 HydrophobicContact CE1-CG 3.79Å; Y73-M77 HydrophobicContact CE2-CE 3.81Å; Y73-M77 HydrophobicContact CE2-CG 4.26Å; Y73-M77 HydrophobicContact CE2-SD 4.28Å; Y73-M77 WeakPolarHBondContact O-CG 3.08Å; Y73-M77 PolarHBondContact O-N 3.05Å |
| 74 | R | 97.2 | Very high | 95.7 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 49% | 0.494 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 175.9 | 179.7 | -175.1 | 168 | -175.5 | -1.5 | 111.3 | Y70 E71 Q76 M77 E78 | Y70-R74 VanDerWaalsContact O-CB 3.3Å; Y70-R74 WeakPolarHBondContact O-CB 3.45Å; Y70-R74 PolarHBondContact O-N 3.12Å; E71-R74 PolarHBondContact O-N 3.11Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.31Å; R74-M77 PolarHBondContact O-N 2.93Å; R74-M77 VanDerWaalsContact O-N 3.16Å; R74-E78 HydrophobicContact CG-CG 4.49Å; R74-E78 IonicContact CZ-OE1 2.94Å; R74-E78 IonicContact NE-OE1 2.64Å; R74-E78 PolarHBondContact NE-OE1 2.66Å; R74-E78 IonicContact NH2-OE1 3.28Å; R74-E78 PolarHBondContact NH2-OE1 3.49Å; R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.43Å |
| 75 | H | 96.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 99.2 Ų | 99.2 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 178.1 | -75.4 | -50.1 | 0 | 0 | 0 | 112.8 | E71 I72 Y73 E78 A79 | E71-H75 WeakPolarHBondContact O-CB 3.4Å; E71-H75 PolarHBondContact O-CD2 3.38Å; E71-H75 PolarHBondContact O-N 3.17Å; I72-H75 PolarHBondContact O-N 2.99Å; Y73-H75 PolarHBondContact O-N 2.9Å; H75-E78 IonicContact ND1-OE2 3.56Å; H75-E78 PolarHBondContact ND1-OE2 3.05Å; H75-A79 VanDerWaalsContact O-CB 3.29Å; H75-A79 WeakPolarHBondContact O-CB 3.45Å; H75-A79 PolarHBondContact O-N 2.9Å |
| 76 | Q | 96.8 | Very high | 94.5 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 173.2 | -74.2 | 174 | -1 | 0 | 0 | 111.7 | I72 Y73 R74 A79 I80 | I72-Q76 VanDerWaalsContact O-CG 3.3Å; I72-Q76 WeakPolarHBondContact O-CG 3.43Å; I72-Q76 PolarHBondContact O-N 3.24Å; Y73-Q76 WeakPolarHBondContact O-CB 3.37Å; Y73-Q76 PolarHBondContact O-N 3.37Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.31Å; Q76-A79 PolarHBondContact O-N 3.47Å; Q76-I80 WeakPolarHBondContact O-CD1 3.21Å; Q76-I80 VanDerWaalsContact O-CG1 3.24Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.22Å |
| 77 | M | 95.5 | Very high | 94 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -42 | 178.7 | -66.5 | -56.5 | 105.9 | 0 | 0 | 112.1 | Y73 R74 I80 S81 | Y73-M77 HydrophobicContact CD1-CG 4.25Å; Y73-M77 HydrophobicContact CD2-CE 4.35Å; Y73-M77 HydrophobicContact CE1-CG 3.79Å; Y73-M77 HydrophobicContact CE2-CE 3.81Å; Y73-M77 HydrophobicContact CE2-CG 4.26Å; Y73-M77 HydrophobicContact CE2-SD 4.28Å; Y73-M77 WeakPolarHBondContact O-CG 3.08Å; Y73-M77 PolarHBondContact O-N 3.05Å; R74-M77 PolarHBondContact O-N 2.93Å; R74-M77 VanDerWaalsContact O-N 3.16Å; M77-I80 HydrophobicContact CE-CD1 3.73Å; M77-I80 PolarHBondContact O-N 3.03Å; M77-S81 WeakPolarHBondContact O-CB 3.34Å; M77-S81 PolarHBondContact O-N 3.12Å |
| 78 | E | 95.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 100.6 Ų | 100.6 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.2 | -73.5 | 171.8 | 176.2 | 0 | 0 | 111.1 | R74 H75 S81 A82 | R74-E78 HydrophobicContact CG-CG 4.49Å; R74-E78 IonicContact CZ-OE1 2.94Å; R74-E78 IonicContact NE-OE1 2.64Å; R74-E78 PolarHBondContact NE-OE1 2.66Å; R74-E78 IonicContact NH2-OE1 3.28Å; R74-E78 PolarHBondContact NH2-OE1 3.49Å; R74-E78 WeakPolarHBondContact O-CG 3.35Å; R74-E78 PolarHBondContact O-N 3.43Å; H75-E78 IonicContact ND1-OE2 3.56Å; H75-E78 PolarHBondContact ND1-OE2 3.05Å; E78-S81 PolarHBondContact O-N 2.99Å; E78-A82 WeakPolarHBondContact O-CB 3.35Å; E78-A82 PolarHBondContact O-N 3.17Å |
| 79 | A | 94.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H75 Q76 S83 | H75-A79 VanDerWaalsContact O-CB 3.29Å; H75-A79 WeakPolarHBondContact O-CB 3.45Å; H75-A79 PolarHBondContact O-N 2.9Å; Q76-A79 PolarHBondContact O-N 3.47Å; A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.3Å; A79-S83 PolarHBondContact O-N 3Å |
| 80 | I | 93.5 | Very high | 93 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.9 | -69.4 | 164.9 | 0 | 0 | 0 | 110.6 | Q76 M77 R84 | Q76-I80 WeakPolarHBondContact O-CD1 3.21Å; Q76-I80 VanDerWaalsContact O-CG1 3.24Å; Q76-I80 WeakPolarHBondContact O-CG1 3.24Å; Q76-I80 PolarHBondContact O-N 3.22Å; M77-I80 HydrophobicContact CE-CD1 3.73Å; M77-I80 PolarHBondContact O-N 3.03Å; I80-R84 WeakPolarHBondContact O-CG 3.49Å; I80-R84 PolarHBondContact O-N 3.42Å |
| 81 | S | 92.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 178.2 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | M77 E78 R84 I85 | M77-S81 WeakPolarHBondContact O-CB 3.34Å; M77-S81 PolarHBondContact O-N 3.12Å; E78-S81 PolarHBondContact O-N 2.99Å; S81-R84 PolarHBondContact O-N 3.21Å; S81-I85 WeakPolarHBondContact O-CG1 3.41Å; S81-I85 PolarHBondContact O-N 3.31Å |
| 82 | A | 90.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 98.4 Ų | 98.4 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E78 R84 I85 D86 | E78-A82 WeakPolarHBondContact O-CB 3.35Å; E78-A82 PolarHBondContact O-N 3.17Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 3.45Å; A82-I85 PolarHBondContact O-N 2.86Å; A82-D86 PolarHBondContact O-N 3.23Å |
| 83 | S | 88.5 | Confident | 92.5 | Very high | 51 Ų | 51 | 102.1 Ų | 102.1 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 178 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | A79 D86 H87 | A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.3Å; A79-S83 PolarHBondContact O-N 3Å; S83-D86 PolarHBondContact O-N 2.99Å; S83-H87 WeakPolarHBondContact O-CB 3.46Å; S83-H87 PolarHBondContact O-CD2 2.94Å; S83-H87 VanDerWaalsContact O-CG 3.28Å; S83-H87 PolarHBondContact O-N 2.91Å; S83-H87 PolarHBondContact OG-CD2 2.71Å; S83-H87 PolarHBondContact OG-NE2 3.04Å |
| 84 | R | 88.2 | Confident | 92.3 | Very high | 186 Ų | 186 | 103 Ų | 103 | 70% | 0.702 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.6 | -77.9 | 177.9 | 179.2 | -168.4 | 0.6 | 112.7 | I80 S81 A82 E88 | I80-R84 WeakPolarHBondContact O-CG 3.49Å; I80-R84 PolarHBondContact O-N 3.42Å; S81-R84 PolarHBondContact O-N 3.21Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 3.45Å; R84-E88 WeakPolarHBondContact O-CB 3.43Å; R84-E88 PolarHBondContact O-N 3.18Å |
| 85 | I | 86.8 | Confident | 92.3 | Very high | 102 Ų | 102 | 102 Ų | 102 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 179.9 | -65.8 | 165.8 | 0 | 0 | 0 | 110.1 | S81 A82 H87 E88 T89 | S81-I85 WeakPolarHBondContact O-CG1 3.41Å; S81-I85 PolarHBondContact O-N 3.31Å; A82-I85 PolarHBondContact O-N 2.86Å; I85-H87 PolarHBondContact O-N 3.34Å; I85-E88 PolarHBondContact O-N 3.41Å; I85-T89 WeakPolarHBondContact O-CG2 3.44Å; I85-T89 PolarHBondContact O-N 2.88Å; I85-T89 VanDerWaalsContact O-N 3.15Å; I85-T89 PolarHBondContact O-OG1 3.34Å |
| 86 | D | 84.2 | Confident | 92.3 | Very high | 102 Ų | 102 | 102.8 Ų | 102.8 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 179.8 | -68.4 | -16.3 | 0 | 0 | 0 | 111.7 | A82 S83 T89 E90 | A82-D86 PolarHBondContact O-N 3.23Å; S83-D86 PolarHBondContact O-N 2.99Å; D86-T89 PolarHBondContact O-OG1 3.49Å; D86-E90 VanDerWaalsContact O-CB 3.28Å; D86-E90 WeakPolarHBondContact O-CB 3.37Å; D86-E90 PolarHBondContact O-N 3.12Å; D86-E90 VanDerWaalsContact O-N 3.15Å |
| 87 | H | 88.8 | Confident | 92.4 | Very high | 126 Ų | 126 | 103.4 Ų | 103.4 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -37.9 | 179.7 | -72.5 | -48 | 0 | 0 | 0 | 113.3 | S83 I85 R91 | S83-H87 WeakPolarHBondContact O-CB 3.46Å; S83-H87 PolarHBondContact O-CD2 2.94Å; S83-H87 VanDerWaalsContact O-CG 3.28Å; S83-H87 PolarHBondContact O-N 2.91Å; S83-H87 PolarHBondContact OG-CD2 2.71Å; S83-H87 PolarHBondContact OG-NE2 3.04Å; I85-H87 PolarHBondContact O-N 3.34Å; H87-R91 WeakPolarHBondContact O-CB 3.34Å; H87-R91 PolarHBondContact O-N 3.47Å |
| 88 | E | 89.7 | Confident | 92.5 | Very high | 100 Ų | 100 | 103.2 Ų | 103.2 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | -178.7 | -165.9 | 63.1 | -165.7 | 0 | 0 | 111.7 | R84 I85 R91 N92 | R84-E88 WeakPolarHBondContact O-CB 3.43Å; R84-E88 PolarHBondContact O-N 3.18Å; I85-E88 PolarHBondContact O-N 3.41Å; E88-R91 PolarHBondContact O-N 3.22Å; E88-N92 VanDerWaalsContact O-CG 3.24Å; E88-N92 PolarHBondContact O-N 2.96Å; E88-N92 PolarHBondContact O-ND2 3.4Å |
| 89 | T | 91 | Very high | 92.6 | Very high | 87 Ų | 87 | 103 Ų | 103 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | I85 D86 R91 N92 R93 | I85-T89 WeakPolarHBondContact O-CG2 3.44Å; I85-T89 PolarHBondContact O-N 2.88Å; I85-T89 VanDerWaalsContact O-N 3.15Å; I85-T89 PolarHBondContact O-OG1 3.34Å; D86-T89 PolarHBondContact O-OG1 3.49Å; T89-R91 VanDerWaalsContact C-N 3.34Å; T89-R91 PolarHBondContact O-N 3.06Å; T89-N92 PolarHBondContact O-N 3.49Å; T89-R93 PolarHBondContact O-N 3.48Å |
| 90 | E | 91.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 103.4 Ų | 103.4 | 33% | 0.327 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 176.6 | 178.7 | 59.3 | -167.3 | 0 | 0 | 112.1 | D86 R93 R94 | D86-E90 VanDerWaalsContact O-CB 3.28Å; D86-E90 WeakPolarHBondContact O-CB 3.37Å; D86-E90 PolarHBondContact O-N 3.12Å; D86-E90 VanDerWaalsContact O-N 3.15Å; E90-R93 PolarHBondContact O-N 3.01Å; E90-R94 VanDerWaalsContact O-CG 3.28Å; E90-R94 WeakPolarHBondContact O-CG 3.47Å; E90-R94 PolarHBondContact O-N 3.35Å; E90-R94 IonicContact OE1-CZ 3.28Å; E90-R94 VanDerWaalsContact OE1-CZ 3.28Å; E90-R94 IonicContact OE1-NE 3.86Å; E90-R94 PolarHBondContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 2.93Å; E90-R94 PolarHBondContact OE1-NH2 3.34Å |
| 91 | R | 92.8 | Very high | 92.9 | Very high | 172 Ų | 172 | 107 Ų | 107 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 174.3 | -179.2 | -178.1 | -172 | 147.7 | 3.5 | 111.5 | H87 E88 T89 R94 H95 | H87-R91 WeakPolarHBondContact O-CB 3.34Å; H87-R91 PolarHBondContact O-N 3.47Å; E88-R91 PolarHBondContact O-N 3.22Å; T89-R91 VanDerWaalsContact C-N 3.34Å; T89-R91 PolarHBondContact O-N 3.06Å; R91-R94 PolarHBondContact O-N 3.44Å; R91-H95 WeakPolarHBondContact O-CB 3.49Å; R91-H95 PolarHBondContact O-N 3.48Å |
| 92 | N | 95 | Very high | 93.1 | Very high | 76 Ų | 76 | 107 Ų | 107 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 178.9 | -69.8 | -19.7 | 0 | 0 | 0 | 111.1 | E88 T89 R94 H95 E96 | E88-N92 VanDerWaalsContact O-CG 3.24Å; E88-N92 PolarHBondContact O-N 2.96Å; E88-N92 PolarHBondContact O-ND2 3.4Å; T89-N92 PolarHBondContact O-N 3.49Å; N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact O-N 2.74Å; N92-H95 WeakPolarHBondContact O-CB 3.4Å; N92-H95 PolarHBondContact O-N 2.96Å; N92-H95 VanDerWaalsContact O-N 3.15Å; N92-E96 WeakPolarHBondContact O-CG 3.44Å; N92-E96 PolarHBondContact O-N 2.71Å |
| 93 | R | 95.5 | Very high | 93.4 | Very high | 176 Ų | 176 | 111.2 Ų | 111.2 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.3 | -46 | 173.7 | -179.5 | -171.3 | 169.6 | 135.5 | 2 | 112.4 | T89 E90 L97 | T89-R93 PolarHBondContact O-N 3.48Å; E90-R93 PolarHBondContact O-N 3.01Å; R93-L97 WeakPolarHBondContact O-CB 3.48Å; R93-L97 PolarHBondContact O-N 3.28Å |
| 94 | R | 94.9 | Very high | 93.7 | Very high | 154 Ų | 154 | 114.6 Ų | 114.6 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 178.3 | -72.7 | 173.3 | -171.9 | -178.9 | 4.8 | 112.4 | E90 R91 N92 L97 T98 | E90-R94 VanDerWaalsContact O-CG 3.28Å; E90-R94 WeakPolarHBondContact O-CG 3.47Å; E90-R94 PolarHBondContact O-N 3.35Å; E90-R94 IonicContact OE1-CZ 3.28Å; E90-R94 VanDerWaalsContact OE1-CZ 3.28Å; E90-R94 IonicContact OE1-NE 3.86Å; E90-R94 PolarHBondContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 2.93Å; E90-R94 PolarHBondContact OE1-NH2 3.34Å; R91-R94 PolarHBondContact O-N 3.44Å; N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact O-N 2.74Å; R94-L97 PolarHBondContact O-N 3.42Å; R94-T98 WeakPolarHBondContact O-CB 3.36Å; R94-T98 PolarHBondContact O-N 3.17Å; R94-T98 PolarHBondContact O-OG1 3.11Å |
| 95 | H | 97 | Very high | 94 | Very high | 111 Ų | 111 | 108 Ų | 108 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.1 | -175.8 | 50.1 | 0 | 0 | 0 | 110.9 | R91 N92 L97 T98 E99 | R91-H95 WeakPolarHBondContact O-CB 3.49Å; R91-H95 PolarHBondContact O-N 3.48Å; N92-H95 WeakPolarHBondContact O-CB 3.4Å; N92-H95 PolarHBondContact O-N 2.96Å; N92-H95 VanDerWaalsContact O-N 3.15Å; H95-L97 PolarHBondContact O-N 3.22Å; H95-T98 WeakPolarHBondContact O-CB 3.43Å; H95-T98 PolarHBondContact O-N 3.17Å; H95-T98 VanDerWaalsContact O-N 3.13Å; H95-E99 IonicContact CE1-OE1 3.73Å; H95-E99 WeakPolarHBondContact O-CG 3.41Å; H95-E99 PolarHBondContact O-N 3.41Å |
| 96 | E | 97.4 | Very high | 94.4 | Very high | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.3 | -46.4 | 175.7 | -71.4 | 172.7 | -175.5 | 0 | 0 | 112 | N92 T98 E99 T100 | N92-E96 WeakPolarHBondContact O-CG 3.44Å; N92-E96 PolarHBondContact O-N 2.71Å; E96-T98 VanDerWaalsContact C-N 3.28Å; E96-T98 PolarHBondContact O-N 2.99Å; E96-E99 PolarHBondContact O-N 3.03Å; E96-T100 WeakPolarHBondContact O-CG2 3.33Å; E96-T100 PolarHBondContact O-N 3.44Å; E96-T100 PolarHBondContact O-OG1 3.4Å |
| 97 | L | 97.5 | Very high | 94.8 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -37.2 | 177.3 | -178.1 | 64.2 | 0 | 0 | 0 | 112.7 | R93 R94 H95 T100 W101 | R93-L97 WeakPolarHBondContact O-CB 3.48Å; R93-L97 PolarHBondContact O-N 3.28Å; R94-L97 PolarHBondContact O-N 3.42Å; H95-L97 PolarHBondContact O-N 3.22Å; L97-T100 WeakPolarHBondContact CA-OG1 3.42Å; L97-T100 PolarHBondContact O-OG1 3.33Å; L97-W101 WeakPolarHBondContact O-CB 3.38Å; L97-W101 PolarHBondContact O-N 2.93Å |
| 98 | T | 97.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 110.9 Ų | 110.9 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.1 | -43.2 | 178 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | R94 H95 E96 W101 N102 | R94-T98 WeakPolarHBondContact O-CB 3.36Å; R94-T98 PolarHBondContact O-N 3.17Å; R94-T98 PolarHBondContact O-OG1 3.11Å; H95-T98 WeakPolarHBondContact O-CB 3.43Å; H95-T98 PolarHBondContact O-N 3.17Å; H95-T98 VanDerWaalsContact O-N 3.13Å; E96-T98 VanDerWaalsContact C-N 3.28Å; E96-T98 PolarHBondContact O-N 2.99Å; T98-W101 PolarHBondContact O-N 2.92Å; T98-N102 WeakPolarHBondContact O-CB 3.28Å; T98-N102 VanDerWaalsContact O-CG 3.22Å; T98-N102 PolarHBondContact O-N 3.49Å; T98-N102 PolarHBondContact O-ND2 2.9Å |
| 99 | E | 97.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 107.9 Ų | 107.9 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.9 | -74.1 | -60.9 | 133.1 | 0 | 0 | 112.1 | H95 E96 N102 K103 | H95-E99 IonicContact CE1-OE1 3.73Å; H95-E99 WeakPolarHBondContact O-CG 3.41Å; H95-E99 PolarHBondContact O-N 3.41Å; E96-E99 PolarHBondContact O-N 3.03Å; E99-N102 PolarHBondContact O-N 3.33Å; E99-K103 VanDerWaalsContact O-CG 3.3Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.23Å; E99-K103 VanDerWaalsContact O-N 3.11Å |
| 100 | T | 97.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.8 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | E96 L97 N102 K103 E104 | E96-T100 WeakPolarHBondContact O-CG2 3.33Å; E96-T100 PolarHBondContact O-N 3.44Å; E96-T100 PolarHBondContact O-OG1 3.4Å; L97-T100 WeakPolarHBondContact CA-OG1 3.42Å; L97-T100 PolarHBondContact O-OG1 3.33Å; T100-N102 PolarHBondContact O-N 3.04Å; T100-K103 PolarHBondContact O-N 2.93Å; T100-E104 WeakPolarHBondContact O-CG 3.43Å; T100-E104 PolarHBondContact O-N 3.41Å |
| 101 | W | 97.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 105.8 Ų | 105.8 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 178.4 | -179.6 | 78.6 | 0 | 0 | 0 | 112.5 | L97 T98 K103 E104 T105 | L97-W101 WeakPolarHBondContact O-CB 3.38Å; L97-W101 PolarHBondContact O-N 2.93Å; T98-W101 PolarHBondContact O-N 2.92Å; W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.13Å; W101-E104 PolarHBondContact O-N 2.95Å; W101-T105 HydrophobicContact CD2-CG2 3.92Å; W101-T105 VanDerWaalsContact CE2-CG2 3.48Å; W101-T105 HydrophobicContact CE3-CG2 4.41Å; W101-T105 HydrophobicContact CG-CG2 4.38Å; W101-T105 HydrophobicContact CH2-CG2 4.19Å; W101-T105 HydrophobicContact CZ2-CG2 3.65Å; W101-T105 WeakPolarHBondContact O-CB 3.39Å; W101-T105 WeakPolarHBondContact O-CG2 3.25Å; W101-T105 PolarHBondContact O-N 2.88Å; W101-T105 PolarHBondContact O-OG1 3.29Å |
| 102 | N | 96.4 | Very high | 95.3 | Very high | 67 Ų | 67 | 105.2 Ų | 105.2 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.1 | -75.2 | -19.1 | 0 | 0 | 0 | 111.8 | T98 E99 T100 T105 F106 | T98-N102 WeakPolarHBondContact O-CB 3.28Å; T98-N102 VanDerWaalsContact O-CG 3.22Å; T98-N102 PolarHBondContact O-N 3.49Å; T98-N102 PolarHBondContact O-ND2 2.9Å; E99-N102 PolarHBondContact O-N 3.33Å; T100-N102 PolarHBondContact O-N 3.04Å; N102-T105 WeakPolarHBondContact CA-OG1 3.12Å; N102-T105 PolarHBondContact O-OG1 2.82Å; N102-T105 VanDerWaalsContact O-OG1 3.04Å; N102-F106 VanDerWaalsContact O-CB 3.24Å; N102-F106 WeakPolarHBondContact O-CB 3.16Å; N102-F106 PolarHBondContact O-N 2.85Å |
| 103 | K | 96.4 | Very high | 95.3 | Very high | 137 Ų | 137 | 108.3 Ų | 108.3 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 176.2 | -71.2 | 170.3 | -173.8 | 175.7 | 0 | 111.8 | E99 T100 W101 F106 L107 | E99-K103 VanDerWaalsContact O-CG 3.3Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.23Å; E99-K103 VanDerWaalsContact O-N 3.11Å; T100-K103 PolarHBondContact O-N 2.93Å; W101-K103 VanDerWaalsContact C-N 3.32Å; W101-K103 PolarHBondContact O-N 3.13Å; K103-F106 PolarHBondContact O-N 2.93Å; K103-L107 WeakPolarHBondContact O-CG 3.25Å; K103-L107 PolarHBondContact O-N 3.47Å |
| 104 | E | 95.1 | Very high | 95.3 | Very high | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -46.4 | 178 | -71.5 | 173.6 | -177.1 | 0 | 0 | 112 | T100 W101 F106 L107 L108 | T100-E104 WeakPolarHBondContact O-CG 3.43Å; T100-E104 PolarHBondContact O-N 3.41Å; W101-E104 PolarHBondContact O-N 2.95Å; E104-F106 PolarHBondContact O-N 3.25Å; E104-L107 PolarHBondContact O-N 3.29Å; E104-L108 PolarHBondContact O-N 2.76Å; E104-L108 VanDerWaalsContact O-N 3.17Å |
| 105 | T | 94.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 105.4 Ų | 105.4 | 29% | 0.288 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 179.2 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | W101 N102 L108 A109 | W101-T105 HydrophobicContact CD2-CG2 3.92Å; W101-T105 VanDerWaalsContact CE2-CG2 3.48Å; W101-T105 HydrophobicContact CE3-CG2 4.41Å; W101-T105 HydrophobicContact CG-CG2 4.38Å; W101-T105 HydrophobicContact CH2-CG2 4.19Å; W101-T105 HydrophobicContact CZ2-CG2 3.65Å; W101-T105 WeakPolarHBondContact O-CB 3.39Å; W101-T105 WeakPolarHBondContact O-CG2 3.25Å; W101-T105 PolarHBondContact O-N 2.88Å; W101-T105 PolarHBondContact O-OG1 3.29Å; N102-T105 WeakPolarHBondContact CA-OG1 3.12Å; N102-T105 PolarHBondContact O-OG1 2.82Å; N102-T105 VanDerWaalsContact O-OG1 3.04Å; T105-L108 PolarHBondContact O-N 3Å; T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 3.06Å |
| 106 | F | 94.8 | Very high | 95.3 | Very high | 139 Ų | 139 | 104.6 Ų | 104.6 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.7 | -48.4 | 173.7 | 179.6 | -98.4 | 0 | 0 | 0 | 111.3 | N102 K103 E104 L108 A109 T110 | N102-F106 VanDerWaalsContact O-CB 3.24Å; N102-F106 WeakPolarHBondContact O-CB 3.16Å; N102-F106 PolarHBondContact O-N 2.85Å; K103-F106 PolarHBondContact O-N 2.93Å; E104-F106 PolarHBondContact O-N 3.25Å; F106-L108 PolarHBondContact O-N 3.49Å; F106-A109 PolarHBondContact O-N 3.36Å; F106-A109 VanDerWaalsContact O-N 3.17Å; F106-T110 HydrophobicContact CD1-CG2 4.01Å; F106-T110 HydrophobicContact CD2-CG2 4.46Å; F106-T110 HydrophobicContact CE1-CG2 3.64Å; F106-T110 HydrophobicContact CE2-CG2 4.14Å; F106-T110 HydrophobicContact CG-CG2 4.4Å; F106-T110 HydrophobicContact CZ-CG2 3.72Å; F106-T110 WeakPolarHBondContact O-CG2 3.48Å; F106-T110 PolarHBondContact O-N 3.02Å |
| 107 | L | 92.6 | Very high | 95.3 | Very high | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 177.8 | -68.3 | 173.8 | 0 | 0 | 0 | 111.7 | K103 E104 A109 T110 | K103-L107 WeakPolarHBondContact O-CG 3.25Å; K103-L107 PolarHBondContact O-N 3.47Å; E104-L107 PolarHBondContact O-N 3.29Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 2.94Å; L107-T110 PolarHBondContact O-N 3.29Å; L107-T110 PolarHBondContact O-OG1 3.43Å |
| 108 | L | 91.7 | Very high | 95.4 | Very high | 135 Ų | 135 | 104.5 Ų | 104.5 | 71% | 0.707 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -37.1 | 176.7 | -68.2 | 174.1 | 0 | 0 | 0 | 113 | E104 T105 F106 | E104-L108 PolarHBondContact O-N 2.76Å; E104-L108 VanDerWaalsContact O-N 3.17Å; T105-L108 PolarHBondContact O-N 3Å; F106-L108 PolarHBondContact O-N 3.49Å |
| 109 | A | 93.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 103.1 Ų | 103.1 | 31% | 0.306 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T105 F106 L107 D111 K112 F113 | T105-A109 WeakPolarHBondContact O-CB 3.44Å; T105-A109 PolarHBondContact O-N 3.06Å; F106-A109 PolarHBondContact O-N 3.36Å; F106-A109 VanDerWaalsContact O-N 3.17Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 2.94Å; A109-D111 PolarHBondContact O-N 3.06Å; A109-K112 PolarHBondContact O-N 3.44Å; A109-F113 HydrophobicContact CB-CD2 4.24Å; A109-F113 HydrophobicContact CB-CE2 4.05Å; A109-F113 WeakPolarHBondContact O-CD2 3.5Å; A109-F113 PolarHBondContact O-N 3.46Å |
| 110 | T | 94.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 103.9 Ų | 103.9 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | F106 L107 K112 F113 E114 | F106-T110 HydrophobicContact CD1-CG2 4.01Å; F106-T110 HydrophobicContact CD2-CG2 4.46Å; F106-T110 HydrophobicContact CE1-CG2 3.64Å; F106-T110 HydrophobicContact CE2-CG2 4.14Å; F106-T110 HydrophobicContact CG-CG2 4.4Å; F106-T110 HydrophobicContact CZ-CG2 3.72Å; F106-T110 WeakPolarHBondContact O-CG2 3.48Å; F106-T110 PolarHBondContact O-N 3.02Å; L107-T110 PolarHBondContact O-N 3.29Å; L107-T110 PolarHBondContact O-OG1 3.43Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 3.02Å; T110-F113 PolarHBondContact O-N 3.28Å; T110-F113 VanDerWaalsContact O-N 3.12Å; T110-E114 WeakPolarHBondContact O-CG 3.48Å; T110-E114 PolarHBondContact O-N 3.15Å |
| 111 | D | 91.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 104.4 Ų | 104.4 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 177.8 | 168.8 | 60.1 | 0 | 0 | 0 | 112.3 | A109 F113 E114 R115 | A109-D111 PolarHBondContact O-N 3.06Å; D111-F113 PolarHBondContact O-N 3.32Å; D111-E114 PolarHBondContact O-N 3.05Å; D111-R115 WeakPolarHBondContact O-CG 3.32Å; D111-R115 PolarHBondContact O-N 2.85Å; D111-R115 IonicContact OD1-CZ 3.57Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.15Å; D111-R115 IonicContact OD1-NH2 3.34Å; D111-R115 PolarHBondContact OD1-NH2 2.89Å; D111-R115 IonicContact OD2-CZ 2.68Å; D111-R115 IonicContact OD2-NE 2.71Å; D111-R115 PolarHBondContact OD2-NE 3.46Å; D111-R115 IonicContact OD2-NH1 3.38Å; D111-R115 IonicContact OD2-NH2 3.06Å; D111-R115 PolarHBondContact OD2-NH2 3.36Å |
| 112 | K | 93.4 | Very high | 95.4 | Very high | 161 Ų | 161 | 101.3 Ų | 101.3 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 175.5 | -174 | -179.8 | 179.3 | -178.6 | 0 | 111.8 | A109 T110 L116 | A109-K112 PolarHBondContact O-N 3.44Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 3.02Å; K112-L116 WeakPolarHBondContact O-CB 3.1Å; K112-L116 PolarHBondContact O-N 2.97Å |
| 113 | F | 95.3 | Very high | 95.5 | Very high | 141 Ų | 141 | 104 Ų | 104 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 178.4 | -75.9 | -59.6 | 0 | 0 | 0 | 112.1 | A109 T110 D111 L116 L117 | A109-F113 HydrophobicContact CB-CD2 4.24Å; A109-F113 HydrophobicContact CB-CE2 4.05Å; A109-F113 WeakPolarHBondContact O-CD2 3.5Å; A109-F113 PolarHBondContact O-N 3.46Å; T110-F113 PolarHBondContact O-N 3.28Å; T110-F113 VanDerWaalsContact O-N 3.12Å; D111-F113 PolarHBondContact O-N 3.32Å; F113-L116 PolarHBondContact O-N 3.35Å; F113-L117 WeakPolarHBondContact O-CB 3.34Å; F113-L117 PolarHBondContact O-N 3.37Å |
| 114 | E | 95.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.7 | -74 | -176.8 | -173 | 0 | 0 | 112.1 | T110 D111 L117 K118 | T110-E114 WeakPolarHBondContact O-CG 3.48Å; T110-E114 PolarHBondContact O-N 3.15Å; D111-E114 PolarHBondContact O-N 3.05Å; E114-L117 PolarHBondContact O-N 3.01Å; E114-K118 WeakPolarHBondContact O-CG 3.21Å; E114-K118 PolarHBondContact O-N 3.15Å |
| 115 | R | 95.6 | Very high | 95.7 | Very high | 158 Ų | 158 | 100 Ų | 100 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 175.9 | -68.8 | 176.6 | -161.6 | -174.4 | 3.3 | 111.9 | D111 K118 S119 | D111-R115 WeakPolarHBondContact O-CG 3.32Å; D111-R115 PolarHBondContact O-N 2.85Å; D111-R115 IonicContact OD1-CZ 3.57Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.15Å; D111-R115 IonicContact OD1-NH2 3.34Å; D111-R115 PolarHBondContact OD1-NH2 2.89Å; D111-R115 IonicContact OD2-CZ 2.68Å; D111-R115 IonicContact OD2-NE 2.71Å; D111-R115 PolarHBondContact OD2-NE 3.46Å; D111-R115 IonicContact OD2-NH1 3.38Å; D111-R115 IonicContact OD2-NH2 3.06Å; D111-R115 PolarHBondContact OD2-NH2 3.36Å; R115-K118 PolarHBondContact O-N 3.01Å; R115-S119 PolarHBondContact O-N 2.92Å |
| 116 | L | 96.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.4 | -179.4 | 64.2 | 0 | 0 | 0 | 110.7 | K112 F113 K118 S119 L120 | K112-L116 WeakPolarHBondContact O-CB 3.1Å; K112-L116 PolarHBondContact O-N 2.97Å; F113-L116 PolarHBondContact O-N 3.35Å; L116-K118 PolarHBondContact O-N 3.18Å; L116-S119 PolarHBondContact O-N 2.93Å; L116-S119 PolarHBondContact O-OG 3.49Å; L116-L120 HydrophobicContact CG-CD1 4.31Å; L116-L120 WeakPolarHBondContact O-CG 2.97Å; L116-L120 PolarHBondContact O-N 2.78Å |
| 117 | L | 97.5 | Very high | 96 | Very high | 112 Ų | 112 | 103.7 Ų | 103.7 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 179.2 | -175.7 | 62.6 | 0 | 0 | 0 | 111.4 | F113 E114 S119 L120 V121 | F113-L117 WeakPolarHBondContact O-CB 3.34Å; F113-L117 PolarHBondContact O-N 3.37Å; E114-L117 PolarHBondContact O-N 3.01Å; L117-S119 PolarHBondContact O-N 3.49Å; L117-L120 PolarHBondContact O-N 3.47Å; L117-V121 WeakPolarHBondContact O-CG2 3.04Å; L117-V121 PolarHBondContact O-N 2.98Å |
| 118 | K | 97.9 | Very high | 96.3 | Very high | 133 Ų | 133 | 102.4 Ų | 102.4 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.4 | -49.7 | 173.8 | -73.8 | 173 | -178.4 | 170.2 | 0 | 111.4 | E114 R115 L116 L120 V121 D122 | E114-K118 WeakPolarHBondContact O-CG 3.21Å; E114-K118 PolarHBondContact O-N 3.15Å; R115-K118 PolarHBondContact O-N 3.01Å; L116-K118 PolarHBondContact O-N 3.18Å; K118-L120 VanDerWaalsContact C-N 3.25Å; K118-L120 PolarHBondContact O-N 3.05Å; K118-V121 PolarHBondContact O-N 2.8Å; K118-V121 VanDerWaalsContact O-N 3.12Å; K118-D122 VanDerWaalsContact O-CG 3.25Å; K118-D122 PolarHBondContact O-N 3.13Å |
| 119 | S | 97.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 99.9 Ų | 99.9 | 29% | 0.287 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -31.1 | 179.1 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | R115 L116 L117 K123 | R115-S119 PolarHBondContact O-N 2.92Å; L116-S119 PolarHBondContact O-N 2.93Å; L116-S119 PolarHBondContact O-OG 3.49Å; L117-S119 PolarHBondContact O-N 3.49Å; S119-K123 WeakPolarHBondContact O-CB 3.38Å; S119-K123 VanDerWaalsContact O-CG 3.24Å; S119-K123 WeakPolarHBondContact O-CG 3.42Å; S119-K123 PolarHBondContact O-N 2.96Å |
| 120 | L | 98 | Very high | 96.8 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.6 | -38.9 | 177 | -72.1 | 175.5 | 0 | 0 | 0 | 111.4 | L116 L117 K118 Q124 | L116-L120 HydrophobicContact CG-CD1 4.31Å; L116-L120 WeakPolarHBondContact O-CG 2.97Å; L116-L120 PolarHBondContact O-N 2.78Å; L117-L120 PolarHBondContact O-N 3.47Å; K118-L120 VanDerWaalsContact C-N 3.25Å; K118-L120 PolarHBondContact O-N 3.05Å; L120-Q124 WeakPolarHBondContact O-CB 3.43Å; L120-Q124 PolarHBondContact O-N 3.03Å |
| 121 | V | 98 | Very high | 97 | Very high | 79 Ų | 79 | 106.7 Ų | 106.7 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | L117 K118 K123 Q124 T125 | L117-V121 WeakPolarHBondContact O-CG2 3.04Å; L117-V121 PolarHBondContact O-N 2.98Å; K118-V121 PolarHBondContact O-N 2.8Å; K118-V121 VanDerWaalsContact O-N 3.12Å; V121-K123 PolarHBondContact O-N 3.05Å; V121-Q124 WeakPolarHBondContact O-CA 3.35Å; V121-Q124 WeakPolarHBondContact O-CB 3.38Å; V121-Q124 PolarHBondContact O-N 3.03Å; V121-T125 HydrophobicContact CG1-CG2 4.48Å; V121-T125 WeakPolarHBondContact O-CG2 3.28Å; V121-T125 PolarHBondContact O-N 3.43Å |
| 122 | D | 97.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 179.9 | -62.6 | -21.2 | 0 | 0 | 0 | 111.4 | K118 Q124 T125 D126 | K118-D122 VanDerWaalsContact O-CG 3.25Å; K118-D122 PolarHBondContact O-N 3.13Å; D122-Q124 PolarHBondContact O-N 3.32Å; D122-T125 WeakPolarHBondContact CA-OG1 3.48Å; D122-T125 PolarHBondContact O-N 3.49Å; D122-T125 PolarHBondContact O-OG1 3.18Å; D122-D126 PolarHBondContact O-N 2.9Å |
| 123 | K | 97.8 | Very high | 97.5 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.7 | -36.1 | 175 | -76.8 | 173.8 | -178 | 176.7 | 0 | 113 | S119 V121 R127 | S119-K123 WeakPolarHBondContact O-CB 3.38Å; S119-K123 VanDerWaalsContact O-CG 3.24Å; S119-K123 WeakPolarHBondContact O-CG 3.42Å; S119-K123 PolarHBondContact O-N 2.96Å; V121-K123 PolarHBondContact O-N 3.05Å; K123-R127 VanDerWaalsContact O-CG 3.25Å; K123-R127 WeakPolarHBondContact O-CG 3.27Å; K123-R127 PolarHBondContact O-N 3.04Å; K123-R127 VanDerWaalsContact O-N 3.17Å |
| 124 | Q | 97.7 | Very high | 97.6 | Very high | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 178 | -175.5 | 62.9 | 11.4 | 0 | 0 | 111.3 | L120 V121 D122 R127 L128 | L120-Q124 WeakPolarHBondContact O-CB 3.43Å; L120-Q124 PolarHBondContact O-N 3.03Å; V121-Q124 WeakPolarHBondContact O-CA 3.35Å; V121-Q124 WeakPolarHBondContact O-CB 3.38Å; V121-Q124 PolarHBondContact O-N 3.03Å; D122-Q124 PolarHBondContact O-N 3.32Å; Q124-R127 PolarHBondContact O-N 2.78Å; Q124-L128 WeakPolarHBondContact O-CB 3.41Å; Q124-L128 PolarHBondContact O-N 3.37Å; Q124-L128 VanDerWaalsContact O-N 3.11Å |
| 125 | T | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 105.7 Ų | 105.7 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.3 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | V121 D122 R127 L128 I129 | V121-T125 HydrophobicContact CG1-CG2 4.48Å; V121-T125 WeakPolarHBondContact O-CG2 3.28Å; V121-T125 PolarHBondContact O-N 3.43Å; D122-T125 WeakPolarHBondContact CA-OG1 3.48Å; D122-T125 PolarHBondContact O-N 3.49Å; D122-T125 PolarHBondContact O-OG1 3.18Å; T125-R127 PolarHBondContact O-N 2.92Å; T125-L128 WeakPolarHBondContact O-CB 3.24Å; T125-L128 PolarHBondContact O-N 3.14Å; T125-L128 VanDerWaalsContact O-N 3.12Å; T125-I129 WeakPolarHBondContact O-CG1 3.28Å; T125-I129 PolarHBondContact O-N 3.49Å |
| 126 | D | 97.7 | Very high | 97.7 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.7 | -67.1 | -22.3 | 0 | 0 | 0 | 111.5 | D122 L128 I129 D130 | D122-D126 PolarHBondContact O-N 2.9Å; D126-L128 VanDerWaalsContact C-N 3.26Å; D126-L128 PolarHBondContact O-N 3.32Å; D126-I129 PolarHBondContact O-N 3.27Å; D126-D130 PolarHBondContact O-N 3.37Å |
| 127 | R | 97.8 | Very high | 97.7 | Very high | 168 Ų | 168 | 103 Ų | 103 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -38 | 176 | -75.7 | 171.8 | 179.1 | -175.9 | -1.4 | 112.6 | K123 Q124 T125 F131 | K123-R127 VanDerWaalsContact O-CG 3.25Å; K123-R127 WeakPolarHBondContact O-CG 3.27Å; K123-R127 PolarHBondContact O-N 3.04Å; K123-R127 VanDerWaalsContact O-N 3.17Å; Q124-R127 PolarHBondContact O-N 2.78Å; T125-R127 PolarHBondContact O-N 2.92Å; R127-F131 WeakPolarHBondContact O-CB 3.4Å; R127-F131 PolarHBondContact O-N 3.3Å |
| 128 | L | 97.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 179.7 | -172.1 | 142.4 | 0 | 0 | 0 | 111.1 | Q124 T125 D126 F131 Q132 | Q124-L128 WeakPolarHBondContact O-CB 3.41Å; Q124-L128 PolarHBondContact O-N 3.37Å; Q124-L128 VanDerWaalsContact O-N 3.11Å; T125-L128 WeakPolarHBondContact O-CB 3.24Å; T125-L128 PolarHBondContact O-N 3.14Å; T125-L128 VanDerWaalsContact O-N 3.12Å; D126-L128 VanDerWaalsContact C-N 3.26Å; D126-L128 PolarHBondContact O-N 3.32Å; L128-F131 PolarHBondContact O-N 2.93Å; L128-Q132 HydrophobicContact CD2-CG 4.46Å; L128-Q132 WeakPolarHBondContact O-CG 3.3Å; L128-Q132 PolarHBondContact O-N 3.37Å |
| 129 | I | 97.9 | Very high | 97.7 | Very high | 82 Ų | 82 | 97.7 Ų | 97.7 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 174.5 | -66.3 | 165.5 | 0 | 0 | 0 | 110.5 | T125 D126 F131 Q132 N133 | T125-I129 WeakPolarHBondContact O-CG1 3.28Å; T125-I129 PolarHBondContact O-N 3.49Å; D126-I129 PolarHBondContact O-N 3.27Å; I129-F131 VanDerWaalsContact C-N 3.29Å; I129-F131 PolarHBondContact O-N 3.23Å; I129-Q132 PolarHBondContact O-N 3.04Å; I129-N133 WeakPolarHBondContact O-CB 3.4Å; I129-N133 PolarHBondContact O-N 3.06Å; I129-N133 PolarHBondContact O-ND2 2.9Å |
| 130 | D | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.1 | -82 | -13.6 | 0 | 0 | 0 | 112.4 | D126 N133 K134 | D126-D130 PolarHBondContact O-N 3.37Å; D130-N133 PolarHBondContact O-N 3.48Å; D130-K134 WeakPolarHBondContact O-CB 3.3Å; D130-K134 WeakPolarHBondContact O-CG 3.49Å; D130-K134 PolarHBondContact O-N 3.05Å |
| 131 | F | 98.1 | Very high | 97.6 | Very high | 133 Ų | 133 | 102.5 Ų | 102.5 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | 176.2 | 179.4 | -97.5 | 0 | 0 | 0 | 111.4 | R127 L128 I129 N133 K134 Q135 | R127-F131 WeakPolarHBondContact O-CB 3.4Å; R127-F131 PolarHBondContact O-N 3.3Å; L128-F131 PolarHBondContact O-N 2.93Å; I129-F131 VanDerWaalsContact C-N 3.29Å; I129-F131 PolarHBondContact O-N 3.23Å; F131-N133 PolarHBondContact O-N 2.98Å; F131-K134 PolarHBondContact O-N 3.19Å; F131-Q135 WeakPolarHBondContact O-CB 3.48Å; F131-Q135 PolarHBondContact O-N 3.03Å |
| 132 | Q | 98 | Very high | 97.6 | Very high | 106 Ų | 106 | 104.5 Ų | 104.5 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.8 | -73.2 | 176.8 | -13.5 | 0 | 0 | 112 | L128 I129 K134 Q135 A136 | L128-Q132 HydrophobicContact CD2-CG 4.46Å; L128-Q132 WeakPolarHBondContact O-CG 3.3Å; L128-Q132 PolarHBondContact O-N 3.37Å; I129-Q132 PolarHBondContact O-N 3.04Å; Q132-K134 PolarHBondContact O-N 3.48Å; Q132-Q135 PolarHBondContact O-N 3.37Å; Q132-A136 WeakPolarHBondContact O-CB 3.43Å; Q132-A136 PolarHBondContact O-N 2.98Å |
| 133 | N | 97.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 178 | -74 | -26.2 | 0 | 0 | 0 | 112.5 | I129 D130 F131 K137 | I129-N133 WeakPolarHBondContact O-CB 3.4Å; I129-N133 PolarHBondContact O-N 3.06Å; I129-N133 PolarHBondContact O-ND2 2.9Å; D130-N133 PolarHBondContact O-N 3.48Å; F131-N133 PolarHBondContact O-N 2.98Å; N133-K137 WeakPolarHBondContact O-CG 3.35Å; N133-K137 PolarHBondContact O-N 3.43Å |
| 134 | K | 97.6 | Very high | 97.5 | Very high | 150 Ų | 150 | 102.6 Ų | 102.6 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 174.7 | -75 | 173.9 | -176.9 | 174.5 | 0 | 111.4 | D130 F131 Q132 K137 S138 | D130-K134 WeakPolarHBondContact O-CB 3.3Å; D130-K134 WeakPolarHBondContact O-CG 3.49Å; D130-K134 PolarHBondContact O-N 3.05Å; F131-K134 PolarHBondContact O-N 3.19Å; Q132-K134 PolarHBondContact O-N 3.48Å; K134-K137 PolarHBondContact O-N 3.32Å; K134-S138 WeakPolarHBondContact O-CB 3.45Å; K134-S138 PolarHBondContact O-N 2.96Å |
| 135 | Q | 97.4 | Very high | 97.4 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 177.6 | -170.1 | 175.9 | 29.3 | 0 | 0 | 111.6 | F131 Q132 S138 S139 | F131-Q135 WeakPolarHBondContact O-CB 3.48Å; F131-Q135 PolarHBondContact O-N 3.03Å; Q132-Q135 PolarHBondContact O-N 3.37Å; Q135-S138 PolarHBondContact O-N 3.41Å; Q135-S139 WeakPolarHBondContact O-CB 3.49Å; Q135-S139 PolarHBondContact O-N 3.39Å |
| 136 | A | 97.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 104.4 Ų | 104.4 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -51.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q132 S138 S139 D140 | Q132-A136 WeakPolarHBondContact O-CB 3.43Å; Q132-A136 PolarHBondContact O-N 2.98Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 3.39Å; A136-S139 WeakPolarHBondContact O-CB 3.42Å; A136-S139 PolarHBondContact O-N 3.41Å; A136-D140 PolarHBondContact O-N 3.22Å |
| 137 | K | 97.3 | Very high | 97.1 | Very high | 146 Ų | 146 | 104.7 Ų | 104.7 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -38.7 | 176.4 | -72.4 | 177.5 | -177.2 | -178.7 | 0 | 112.8 | N133 K134 K141 | N133-K137 WeakPolarHBondContact O-CG 3.35Å; N133-K137 PolarHBondContact O-N 3.43Å; K134-K137 PolarHBondContact O-N 3.32Å; K137-K141 VanDerWaalsContact O-CG 3.31Å; K137-K141 WeakPolarHBondContact O-CG 3.29Å; K137-K141 PolarHBondContact O-N 2.97Å |
| 138 | S | 96.8 | Very high | 97 | Very high | 80 Ų | 80 | 99.2 Ų | 99.2 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 176.9 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | K134 Q135 A136 L142 | K134-S138 WeakPolarHBondContact O-CB 3.45Å; K134-S138 PolarHBondContact O-N 2.96Å; Q135-S138 PolarHBondContact O-N 3.41Å; A136-S138 VanDerWaalsContact C-N 3.27Å; A136-S138 PolarHBondContact O-N 3.39Å; S138-L142 WeakPolarHBondContact O-CB 3.39Å; S138-L142 PolarHBondContact O-N 2.81Å |
| 139 | S | 97.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.1 | -172 | 0 | 0 | 0 | 0 | 111.4 | Q135 A136 L142 K143 | Q135-S139 WeakPolarHBondContact O-CB 3.49Å; Q135-S139 PolarHBondContact O-N 3.39Å; A136-S139 WeakPolarHBondContact O-CB 3.42Å; A136-S139 PolarHBondContact O-N 3.41Å; S139-L142 PolarHBondContact O-N 2.94Å; S139-K143 WeakPolarHBondContact O-CG 3.44Å; S139-K143 PolarHBondContact O-N 2.91Å |
| 140 | D | 97.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | -179.9 | -64.9 | -23.4 | 0 | 0 | 0 | 112.2 | A136 K143 A144 | A136-D140 PolarHBondContact O-N 3.22Å; D140-K143 PolarHBondContact O-N 3.11Å; D140-A144 PolarHBondContact O-N 3.28Å |
| 141 | K | 97.2 | Very high | 96.3 | Very high | 145 Ų | 145 | 98.8 Ų | 98.8 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 171.7 | -75.8 | 179.7 | 179.9 | -168.7 | 0 | 111.8 | K137 K143 A144 D145 | K137-K141 VanDerWaalsContact O-CG 3.31Å; K137-K141 WeakPolarHBondContact O-CG 3.29Å; K137-K141 PolarHBondContact O-N 2.97Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 2.91Å; K141-A144 PolarHBondContact O-N 3.16Å; K141-D145 VanDerWaalsContact O-CG 3.28Å; K141-D145 PolarHBondContact O-N 2.99Å |
| 142 | L | 96.6 | Very high | 95.9 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 179.5 | -174.1 | 66.2 | 0 | 0 | 0 | 111.8 | S138 S139 L146 | S138-L142 WeakPolarHBondContact O-CB 3.39Å; S138-L142 PolarHBondContact O-N 2.81Å; S139-L142 PolarHBondContact O-N 2.94Å; L142-L146 WeakPolarHBondContact O-CB 3.5Å; L142-L146 PolarHBondContact O-N 2.92Å |
| 143 | K | 97 | Very high | 95.5 | Very high | 118 Ų | 118 | 96.1 Ų | 96.1 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 173.4 | -72.2 | 172.8 | -175.6 | 171.6 | 0 | 111.8 | S139 D140 K141 D145 L146 D147 | S139-K143 WeakPolarHBondContact O-CG 3.44Å; S139-K143 PolarHBondContact O-N 2.91Å; D140-K143 PolarHBondContact O-N 3.11Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 2.91Å; K143-D145 VanDerWaalsContact C-N 3.33Å; K143-D145 PolarHBondContact O-N 2.83Å; K143-L146 PolarHBondContact O-N 3.34Å; K143-D147 PolarHBondContact O-N 3.42Å |
| 144 | A | 96.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 95.4 Ų | 95.4 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D140 K141 D147 A148 | D140-A144 PolarHBondContact O-N 3.28Å; K141-A144 PolarHBondContact O-N 3.16Å; A144-D147 PolarHBondContact O-N 3.39Å; A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 2.91Å |
| 145 | D | 95.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 95.1 Ų | 95.1 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 175 | -67.5 | -18.9 | 0 | 0 | 0 | 111 | K141 K143 A148 V149 | K141-D145 VanDerWaalsContact O-CG 3.28Å; K141-D145 PolarHBondContact O-N 2.99Å; K143-D145 VanDerWaalsContact C-N 3.33Å; K143-D145 PolarHBondContact O-N 2.83Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-V149 VanDerWaalsContact O-CG2 3.29Å; D145-V149 WeakPolarHBondContact O-CG2 3.47Å; D145-V149 PolarHBondContact O-N 3.25Å |
| 146 | L | 95.5 | Very high | 94 | Very high | 113 Ų | 113 | 95 Ų | 95 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 176.5 | -171.3 | 150.9 | 0 | 0 | 0 | 111.6 | L142 K143 V149 A150 | L142-L146 WeakPolarHBondContact O-CB 3.5Å; L142-L146 PolarHBondContact O-N 2.92Å; K143-L146 PolarHBondContact O-N 3.34Å; L146-V149 PolarHBondContact O-N 2.94Å; L146-A150 WeakPolarHBondContact O-CB 3.22Å; L146-A150 PolarHBondContact O-N 3.46Å |
| 147 | D | 95.1 | Very high | 93.7 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -42.7 | 176.1 | -69.5 | -21.7 | 0 | 0 | 0 | 111 | K143 A144 V149 A150 T151 | K143-D147 PolarHBondContact O-N 3.42Å; A144-D147 PolarHBondContact O-N 3.39Å; D147-V149 PolarHBondContact O-N 3.03Å; D147-A150 PolarHBondContact O-N 2.99Å; D147-T151 WeakPolarHBondContact O-CG2 3.19Å; D147-T151 PolarHBondContact O-N 3.09Å |
| 148 | A | 94 | Very high | 93.4 | Very high | 52 Ų | 52 | 93.4 Ų | 93.4 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A144 D145 A150 T151 L152 | A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 2.91Å; D145-A148 PolarHBondContact O-N 3.5Å; A148-A150 VanDerWaalsContact C-N 3.34Å; A148-A150 PolarHBondContact O-N 3.22Å; A148-T151 PolarHBondContact O-N 3.19Å; A148-T151 PolarHBondContact O-OG1 3.38Å; A148-L152 PolarHBondContact O-N 2.89Å; A148-L152 VanDerWaalsContact O-N 3.1Å |
| 149 | V | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 98.8 Ų | 98.8 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62 | -42.6 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | D145 L146 D147 T151 L152 T153 | D145-V149 VanDerWaalsContact O-CG2 3.29Å; D145-V149 WeakPolarHBondContact O-CG2 3.47Å; D145-V149 PolarHBondContact O-N 3.25Å; L146-V149 PolarHBondContact O-N 2.94Å; D147-V149 PolarHBondContact O-N 3.03Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 2.79Å; V149-L152 PolarHBondContact O-N 3.28Å; V149-L152 VanDerWaalsContact O-N 3.12Å; V149-T153 HydrophobicContact CG1-CG2 4.26Å; V149-T153 VanDerWaalsContact O-CG2 3.28Å; V149-T153 WeakPolarHBondContact O-CG2 3.34Å; V149-T153 PolarHBondContact O-N 3.36Å |
| 150 | A | 93.1 | Very high | 93 | Very high | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L146 D147 A148 T153 | L146-A150 WeakPolarHBondContact O-CB 3.22Å; L146-A150 PolarHBondContact O-N 3.46Å; D147-A150 PolarHBondContact O-N 2.99Å; A148-A150 VanDerWaalsContact C-N 3.34Å; A148-A150 PolarHBondContact O-N 3.22Å; A150-T153 PolarHBondContact O-OG1 2.99Å |
| 151 | T | 92.2 | Very high | 92.6 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.7 | -37.2 | 171 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | D147 A148 V149 | D147-T151 WeakPolarHBondContact O-CG2 3.19Å; D147-T151 PolarHBondContact O-N 3.09Å; A148-T151 PolarHBondContact O-N 3.19Å; A148-T151 PolarHBondContact O-OG1 3.38Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 2.79Å |
| 152 | L | 90.9 | Very high | 92.4 | Very high | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.1 | -29.9 | -179.2 | -170.2 | 65.1 | 0 | 0 | 0 | 112.7 | A148 V149 G154 Q155 M156 | A148-L152 PolarHBondContact O-N 2.89Å; A148-L152 VanDerWaalsContact O-N 3.1Å; V149-L152 PolarHBondContact O-N 3.28Å; V149-L152 VanDerWaalsContact O-N 3.12Å; L152-G154 PolarHBondContact O-N 3.39Å; L152-Q155 PolarHBondContact O-N 3.47Å; L152-M156 PolarHBondContact O-N 3.38Å |
| 153 | T | 89.1 | Confident | 92.2 | Very high | 75 Ų | 75 | 96.3 Ų | 96.3 | 46% | 0.46 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -58.5 | -29.2 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | V149 A150 Q155 M156 | V149-T153 HydrophobicContact CG1-CG2 4.26Å; V149-T153 VanDerWaalsContact O-CG2 3.28Å; V149-T153 WeakPolarHBondContact O-CG2 3.34Å; V149-T153 PolarHBondContact O-N 3.36Å; A150-T153 PolarHBondContact O-OG1 2.99Å; T153-Q155 VanDerWaalsContact C-N 3.27Å; T153-Q155 PolarHBondContact O-N 3.15Å; T153-M156 WeakPolarHBondContact O-CB 3.42Å; T153-M156 PolarHBondContact O-N 3Å |
| 154 | G | 85.8 | Confident | 91.9 | Very high | 70 Ų | 70 | 96.4 Ų | 96.4 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -68.3 | -22 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L152 | L152-G154 PolarHBondContact O-N 3.39Š|
| 155 | Q | 85.6 | Confident | 91.7 | Very high | 144 Ų | 144 | 96.8 Ų | 96.8 | 67% | 0.673 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -97.4 | -1.4 | 177.9 | -62 | -179.9 | -12.5 | 0 | 0 | 112.7 | L152 T153 | L152-Q155 PolarHBondContact O-N 3.47Å; T153-Q155 VanDerWaalsContact C-N 3.27Å; T153-Q155 PolarHBondContact O-N 3.15Å |
| 156 | M | 90 | Very high | 91.5 | Very high | 116 Ų | 116 | 95.8 Ų | 95.8 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -71.5 | 142 | -175.3 | -164.7 | 162.6 | 69.9 | 0 | 0 | 111.2 | L152 T153 T158 N161 | L152-M156 PolarHBondContact O-N 3.38Å; T153-M156 WeakPolarHBondContact O-CB 3.42Å; T153-M156 PolarHBondContact O-N 3Å; M156-T158 PolarHBondContact O-N 3.06Å; M156-N161 PolarHBondContact O-ND2 3.41Å |
| 157 | I | 90.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 95.2 Ų | 95.2 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -72.8 | 119.4 | 175.6 | -57.2 | 171.1 | 0 | 0 | 0 | 108.2 | N161 L162 K165 | I157-N161 VanDerWaalsContact CA-OD1 3.3Å; I157-N161 WeakPolarHBondContact CA-OD1 3.37Å; I157-L162 HydrophobicContact CG2-CB 4.44Å; I157-K165 HydrophobicContact CG1-CB 4.46Å; I157-K165 HydrophobicContact CG1-CG 4.31Å | ||
| 158 | T | 92.3 | Very high | 91.1 | Very high | 63 Ų | 63 | 95 Ų | 95 | 39% | 0.387 | 53% | 0.534 | S | S | . | . | trans | -109.1 | 167 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | M156 T160 N161 L162 | M156-T158 PolarHBondContact O-N 3.06Å; T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-OG1 2.98Å; T158-N161 PolarHBondContact N-OD1 3.13Å; T158-N161 PolarHBondContact O-N 2.96Å; T158-N161 PolarHBondContact O-OD1 2.94Å; T158-N161 PolarHBondContact OG1-OD1 2.9Å; T158-L162 PolarHBondContact O-N 2.91Å | ||
| 159 | E | 92.6 | Very high | 90.9 | Very high | 194 Ų | 194 | 97.9 Ų | 97.9 | 91% | 0.907 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.7 | 177.7 | -62.9 | 178.7 | -180 | 0 | 0 | 113 | ||
| 160 | T | 91.9 | Very high | 90.7 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 78% | 0.779 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -24.3 | -177.4 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | T158 | T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-OG1 2.98Å |
| 161 | N | 90.1 | Very high | 90.6 | Very high | 37 Ų | 37 | 104.6 Ų | 104.6 | 20% | 0.198 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -109.7 | 11.7 | -176 | 70.3 | 7.5 | 0 | 0 | 0 | 113 | M156 I157 T158 K165 | M156-N161 PolarHBondContact O-ND2 3.41Å; I157-N161 VanDerWaalsContact CA-OD1 3.3Å; I157-N161 WeakPolarHBondContact CA-OD1 3.37Å; T158-N161 PolarHBondContact N-OD1 3.13Å; T158-N161 PolarHBondContact O-N 2.96Å; T158-N161 PolarHBondContact O-OD1 2.94Å; T158-N161 PolarHBondContact OG1-OD1 2.9Å; N161-K165 WeakPolarHBondContact O-CB 3.49Å; N161-K165 VanDerWaalsContact O-CG 3.31Å; N161-K165 WeakPolarHBondContact O-CG 3.49Å; N161-K165 PolarHBondContact O-N 3.42Å; N161-K165 VanDerWaalsContact O-N 3.16Å |
| 162 | L | 91.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 103 Ų | 103 | 41% | 0.408 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.4 | -50.9 | -170.2 | -175.8 | 140.4 | 0 | 0 | 0 | 112.6 | I157 T158 K165 I166 | I157-L162 HydrophobicContact CG2-CB 4.44Å; T158-L162 PolarHBondContact O-N 2.91Å; L162-K165 PolarHBondContact O-N 3.48Å; L162-I166 HydrophobicContact CD2-CD1 3.53Å; L162-I166 HydrophobicContact CG-CD1 4.2Å; L162-I166 WeakPolarHBondContact O-CG1 3.3Å; L162-I166 PolarHBondContact O-N 3.06Å |
| 163 | D | 92.5 | Very high | 89.8 | Confident | 118 Ų | 118 | 105.2 Ų | 105.2 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -44.6 | -178.2 | -66.9 | -29 | 0 | 0 | 0 | 111.3 | K165 I166 D167 | D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 2.86Å; D163-I166 PolarHBondContact O-N 3.49Å; D163-I166 VanDerWaalsContact O-N 3.16Å; D163-D167 PolarHBondContact O-N 3.39Å; D163-D167 VanDerWaalsContact O-N 3.07Å |
| 164 | D | 91.6 | Very high | 89.6 | Confident | 120 Ų | 120 | 108.5 Ų | 108.5 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58 | -40.4 | 176.7 | -65.7 | -23 | 0 | 0 | 0 | 112 | E168 | D164-E168 PolarHBondContact O-N 3.34Å |
| 165 | K | 91.4 | Very high | 89.4 | Confident | 63 Ų | 63 | 110 Ų | 110 | 27% | 0.274 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.9 | -33.3 | 178.9 | -77 | -72.9 | 172.3 | -160.8 | 0 | 112.8 | I157 N161 L162 D163 E168 I169 | I157-K165 HydrophobicContact CG1-CB 4.46Å; I157-K165 HydrophobicContact CG1-CG 4.31Å; N161-K165 WeakPolarHBondContact O-CB 3.49Å; N161-K165 VanDerWaalsContact O-CG 3.31Å; N161-K165 WeakPolarHBondContact O-CG 3.49Å; N161-K165 PolarHBondContact O-N 3.42Å; N161-K165 VanDerWaalsContact O-N 3.16Å; L162-K165 PolarHBondContact O-N 3.48Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 2.86Å; K165-E168 WeakPolarHBondContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CE-OE2 3.3Å; K165-E168 IonicContact NZ-OE1 2.79Å; K165-E168 IonicContact NZ-OE2 3.42Å; K165-E168 PolarHBondContact NZ-OE2 2.98Å; K165-E168 PolarHBondContact O-N 3.39Å; K165-I169 WeakPolarHBondContact O-CB 3.36Å; K165-I169 WeakPolarHBondContact O-CD1 3.44Å; K165-I169 WeakPolarHBondContact O-CG1 3.37Å; K165-I169 PolarHBondContact O-N 3.01Å |
| 166 | I | 91.3 | Very high | 89.3 | Confident | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.415 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.6 | -46.1 | 174.1 | -70.9 | 168.4 | 0 | 0 | 0 | 109.9 | L162 D163 E168 I169 M170 | L162-I166 HydrophobicContact CD2-CD1 3.53Å; L162-I166 HydrophobicContact CG-CD1 4.2Å; L162-I166 WeakPolarHBondContact O-CG1 3.3Å; L162-I166 PolarHBondContact O-N 3.06Å; D163-I166 PolarHBondContact O-N 3.49Å; D163-I166 VanDerWaalsContact O-N 3.16Å; I166-E168 PolarHBondContact O-N 3.48Å; I166-I169 PolarHBondContact O-N 3.3Å; I166-M170 WeakPolarHBondContact O-CG 3.4Å; I166-M170 PolarHBondContact O-N 3.12Å |
| 167 | D | 91.9 | Very high | 89 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.5 | -38.9 | 177.8 | -76.6 | -15 | 0 | 0 | 0 | 112 | D163 M170 N171 | D163-D167 PolarHBondContact O-N 3.39Å; D163-D167 VanDerWaalsContact O-N 3.07Å; D167-M170 PolarHBondContact O-N 2.91Å; D167-N171 PolarHBondContact O-N 3.33Å; D167-N171 PolarHBondContact O-ND2 3.47Å |
| 168 | E | 90.7 | Very high | 88.8 | Confident | 95 Ų | 95 | 110.4 Ų | 110.4 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.7 | -49.4 | 173.2 | -172.9 | -178.8 | 167.3 | 0 | 0 | 111.3 | D164 K165 I166 M170 N171 C172 | D164-E168 PolarHBondContact O-N 3.34Å; K165-E168 WeakPolarHBondContact CD-OE2 3.26Å; K165-E168 WeakPolarHBondContact CE-OE2 3.3Å; K165-E168 IonicContact NZ-OE1 2.79Å; K165-E168 IonicContact NZ-OE2 3.42Å; K165-E168 PolarHBondContact NZ-OE2 2.98Å; K165-E168 PolarHBondContact O-N 3.39Å; I166-E168 PolarHBondContact O-N 3.48Å; E168-M170 VanDerWaalsContact C-N 3.31Å; E168-M170 PolarHBondContact O-N 3.38Å; E168-N171 PolarHBondContact O-N 2.83Å; E168-C172 PolarHBondContact O-N 3.47Å; E168-C172 PolarHBondContact O-SG 3.04Å |
| 169 | I | 89.3 | Confident | 88.6 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 59% | 0.585 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -38.5 | -179.3 | -69.9 | 164.3 | 0 | 0 | 0 | 111.8 | K165 I166 N171 | K165-I169 WeakPolarHBondContact O-CB 3.36Å; K165-I169 WeakPolarHBondContact O-CD1 3.44Å; K165-I169 WeakPolarHBondContact O-CG1 3.37Å; K165-I169 PolarHBondContact O-N 3.01Å; I166-I169 PolarHBondContact O-N 3.3Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 3.2Å |
| 170 | M | 90 | Very high | 88.2 | Confident | 151 Ų | 151 | 108.6 Ų | 108.6 | 74% | 0.744 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.1 | -26.2 | -179.9 | -71.4 | -62.3 | -150.5 | 0 | 0 | 113.4 | I166 D167 E168 | I166-M170 WeakPolarHBondContact O-CG 3.4Å; I166-M170 PolarHBondContact O-N 3.12Å; D167-M170 PolarHBondContact O-N 2.91Å; E168-M170 VanDerWaalsContact C-N 3.31Å; E168-M170 PolarHBondContact O-N 3.38Å |
| 171 | N | 90.9 | Very high | 88.1 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.5 | -18.5 | 179.6 | -69.8 | -51.6 | 0 | 0 | 0 | 113.5 | D167 E168 I169 | D167-N171 PolarHBondContact O-N 3.33Å; D167-N171 PolarHBondContact O-ND2 3.47Å; E168-N171 PolarHBondContact O-N 2.83Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 3.2Å |
| 172 | C | 84.3 | Confident | 87.9 | Confident | 73 Ų | 73 | 108.2 Ų | 108.2 | 49% | 0.493 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -74.1 | 153.2 | 177.5 | -76.2 | 0 | 0 | 0 | 0 | 112.9 | E168 V174 | E168-C172 PolarHBondContact O-N 3.47Å; E168-C172 PolarHBondContact O-SG 3.04Å; C172-V174 PolarHBondContact O-N 2.84Å |
| 173 | D | 82.7 | Confident | 87.8 | Confident | 155 Ų | 155 | 113.2 Ų | 113.2 | 83% | 0.829 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 137.4 | 171 | -70.3 | -28.9 | 0 | 0 | 0 | 110.5 | V175 | D173-V175 PolarHBondContact O-N 3.25Å; D173-V175 VanDerWaalsContact O-N 3.12Å |
| 174 | V | 83.4 | Confident | 87.3 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 87% | 0.873 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.5 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | C172 D176 | C172-V174 PolarHBondContact O-N 2.84Å; V174-D176 PolarHBondContact O-N 3.09Å |
| 175 | V | 82.2 | Confident | 87 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.606 | 59% | 0.587 | S | S | * | * | trans | -74.5 | 109.6 | 176.7 | -178 | 0 | 0 | 0 | 0 | 109.3 | D173 Y177 | D173-V175 PolarHBondContact O-N 3.25Å; D173-V175 VanDerWaalsContact O-N 3.12Å; V175-Y177 HydrophobicContact CB-CE2 4.28Å; V175-Y177 HydrophobicContact CG1-CD2 4.4Å; V175-Y177 HydrophobicContact CG1-CE1 4.35Å; V175-Y177 HydrophobicContact CG1-CE2 3.83Å | ||
| 176 | D | 83.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 110 Ų | 110 | 33% | 0.332 | 60% | 0.599 | S | S | . | * | trans | -85.5 | 118.6 | 177.9 | -171.7 | 12.4 | 0 | 0 | 0 | 111.6 | V174 N178 | V174-D176 PolarHBondContact O-N 3.09Å; D176-N178 WeakPolarHBondContact OD1-CB 3.17Å; D176-N178 PolarHBondContact OD1-N 3.43Å; D176-N178 PolarHBondContact OD1-ND2 3.42Å | ||
| 177 | Y | 84.7 | Confident | 86.5 | Confident | 186 Ų | 186 | 110.9 Ų | 110.9 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | trans | -93.7 | 4.5 | 174.5 | -67.3 | -81.8 | 0 | 0 | 0 | 112.8 | V175 F179 | V175-Y177 HydrophobicContact CB-CE2 4.28Å; V175-Y177 HydrophobicContact CG1-CD2 4.4Å; V175-Y177 HydrophobicContact CG1-CE1 4.35Å; V175-Y177 HydrophobicContact CG1-CE2 3.83Å; Y177-F179 WeakPolarHBondContact O-CD1 3.21Å; Y177-F179 PolarHBondContact O-N 3.41Å | ||
| 178 | N | 86.2 | Confident | 86 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -75.2 | 120.8 | 179.7 | -63.2 | -42.7 | 0 | 0 | 0 | 111.2 | D176 G190 | D176-N178 WeakPolarHBondContact OD1-CB 3.17Å; D176-N178 PolarHBondContact OD1-N 3.43Å; D176-N178 PolarHBondContact OD1-ND2 3.42Å; N178-G190 PolarHBondContact O-N 2.64Å | ||
| 179 | F | 86.8 | Confident | 85.4 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -142 | 150.8 | 170.8 | 62.5 | -91.4 | 0 | 0 | 0 | 110.1 | Y177 V181 I187 V188 R189 | Y177-F179 WeakPolarHBondContact O-CD1 3.21Å; Y177-F179 PolarHBondContact O-N 3.41Å; F179-V181 HydrophobicContact CD2-CG2 4.1Å; F179-V181 HydrophobicContact CE2-CG2 4.09Å; F179-I187 HydrophobicContact CB-CG2 3.67Å; F179-I187 HydrophobicContact CD2-CG2 3.67Å; F179-I187 HydrophobicContact CG-CG2 3.78Å; F179-V188 CarbonylContact C-O 3.59Å; F179-V188 VanDerWaalsContact CA-O 3.31Å; F179-V188 WeakPolarHBondContact CA-O 3.33Å; F179-R189 HydrophobicContact CB-CG 4.04Å |
| 180 | V | 85.9 | Confident | 84.2 | Confident | 105 Ų | 105 | 111.3 Ų | 111.3 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 150.1 | 171.7 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | I187 V188 | V180-I187 CarbonylContact O-C 3.59Å; V180-I187 WeakPolarHBondContact O-CA 3.45Å; V180-V188 PolarHBondContact N-O 3.24Å; V180-V188 PolarHBondContact O-N 3.14Å |
| 181 | V | 88.1 | Confident | 82.7 | Confident | 81 Ų | 81 | 109.7 Ų | 109.7 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.8 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | F179 N186 I187 | F179-V181 HydrophobicContact CD2-CG2 4.1Å; F179-V181 HydrophobicContact CE2-CG2 4.09Å; V181-N186 WeakPolarHBondContact CA-O 3.42Å; V181-I187 HydrophobicContact CG2-CG1 4.39Å |
| 182 | D | 87.5 | Confident | 81 | Confident | 75 Ų | 75 | 112.2 Ų | 112.2 | 40% | 0.401 | 61% | 0.611 | S | S | . | * | trans | -66.7 | 163.2 | 173.8 | -177.6 | 33.1 | 0 | 0 | 0 | 111 | S184 G185 N186 | D182-S184 PolarHBondContact O-N 3.42Å; D182-S184 VanDerWaalsContact O-N 3.11Å; D182-S184 VanDerWaalsContact OD2-CB 3.31Å; D182-S184 WeakPolarHBondContact OD2-CB 3.47Å; D182-S184 PolarHBondContact OD2-N 2.86Å; D182-S184 PolarHBondContact OD2-OG 3.28Å; D182-G185 WeakPolarHBondContact O-CA 3.25Å; D182-G185 PolarHBondContact O-N 2.95Å; D182-N186 HydrophobicContact CB-CB 4.28Å; D182-N186 PolarHBondContact N-O 3.39Å | ||
| 183 | L | 87.9 | Confident | 79.3 | Confident | 182 Ų | 182 | 114.6 Ų | 114.6 | 95% | 0.953 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -25.3 | 172.2 | -67.7 | 169.9 | 0 | 0 | 0 | 112.2 | G185 | L183-G185 PolarHBondContact O-N 3.34Š|
| 184 | S | 82.9 | Confident | 77.8 | Confident | 86 Ų | 86 | 113.7 Ų | 113.7 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -0.6 | 173.4 | -42.3 | 0 | 0 | 0 | 0 | 114 | D182 N186 | D182-S184 PolarHBondContact O-N 3.42Å; D182-S184 VanDerWaalsContact O-N 3.11Å; D182-S184 VanDerWaalsContact OD2-CB 3.31Å; D182-S184 WeakPolarHBondContact OD2-CB 3.47Å; D182-S184 PolarHBondContact OD2-N 2.86Å; D182-S184 PolarHBondContact OD2-OG 3.28Å; S184-N186 VanDerWaalsContact C-N 3.3Å; S184-N186 PolarHBondContact O-N 3.13Å |
| 185 | G | 85.5 | Confident | 76.2 | Confident | 49 Ų | 49 | 113.5 Ų | 113.5 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | trans | 79.1 | 7.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D182 L183 | D182-G185 WeakPolarHBondContact O-CA 3.25Å; D182-G185 PolarHBondContact O-N 2.95Å; L183-G185 PolarHBondContact O-N 3.34Å | ||
| 186 | N | 86.2 | Confident | 74.4 | Confident | 98 Ų | 98 | 116.3 Ų | 116.3 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | trans | -79.7 | 126.9 | -178.2 | -65 | -37.2 | 0 | 0 | 0 | 110.8 | V181 D182 S184 V188 | V181-N186 WeakPolarHBondContact CA-O 3.42Å; D182-N186 HydrophobicContact CB-CB 4.28Å; D182-N186 PolarHBondContact N-O 3.39Å; S184-N186 VanDerWaalsContact C-N 3.3Å; S184-N186 PolarHBondContact O-N 3.13Å; N186-V188 PolarHBondContact O-N 3.44Å | ||
| 187 | I | 86.9 | Confident | 72.6 | Confident | 101 Ų | 101 | 121.8 Ų | 121.8 | 52% | 0.518 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.7 | 177.1 | -59.1 | 173.7 | 0 | 0 | 0 | 108.9 | F179 V180 V181 R189 | F179-I187 HydrophobicContact CB-CG2 3.67Å; F179-I187 HydrophobicContact CD2-CG2 3.67Å; F179-I187 HydrophobicContact CG-CG2 3.78Å; V180-I187 CarbonylContact O-C 3.59Å; V180-I187 WeakPolarHBondContact O-CA 3.45Å; V181-I187 HydrophobicContact CG2-CG1 4.39Å; I187-R189 HydrophobicContact CG2-CG 4.14Å |
| 188 | V | 79.4 | Confident | 70.8 | Confident | 71 Ų | 71 | 121 Ų | 121 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.5 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | F179 V180 N186 | F179-V188 CarbonylContact C-O 3.59Å; F179-V188 VanDerWaalsContact CA-O 3.31Å; F179-V188 WeakPolarHBondContact CA-O 3.33Å; V180-V188 PolarHBondContact N-O 3.24Å; V180-V188 PolarHBondContact O-N 3.14Å; N186-V188 PolarHBondContact O-N 3.44Å |
| 189 | R | 79 | Confident | 68.9 | Low | 203 Ų | 203 | 124.2 Ų | 124.2 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.4 | 176.2 | -61.3 | -172.4 | 179.1 | -170.5 | -0.4 | 109.8 | F179 I187 | F179-R189 HydrophobicContact CB-CG 4.04Å; I187-R189 HydrophobicContact CG2-CG 4.14Å |
| 190 | G | 63.6 | Low | 67 | Low | 45 Ų | 45 | 127.1 Ų | 127.1 | 46% | 0.464 | 68% | 0.679 | S | S | . | * | trans | -101.7 | 90.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N178 | N178-G190 PolarHBondContact O-N 2.64Š| ||
| 191 | T | 58.1 | Low | 64.9 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -141.2 | 7.9 | 160 | -7.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 192 | K | 55.6 | Low | 62.9 | Low | 191 Ų | 191 | 131.6 Ų | 131.6 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -135.4 | 127.4 | 170.1 | -62.9 | -176.6 | -177.6 | 178.1 | 0 | 109.5 | ||
| 193 | P | 49.2 | Very low | 60.7 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | trans | -66.4 | 139 | -179.5 | 27.1 | -33 | 0 | 0 | 0 | 110.9 | N195 | P193-N195 PolarHBondContact O-N 3.43Š| ||
| 194 | I | 50.9 | Low | 58.8 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | trans | -67.2 | 114.2 | 175.2 | -63.4 | 163.5 | 0 | 0 | 0 | 108.1 | N196 | I194-N196 PolarHBondContact O-N 2.86Š| ||
| 195 | N | 49.5 | Very low | 56.8 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | -68.1 | 112.5 | 167.1 | -80.6 | -11.2 | 0 | 0 | 0 | 108.4 | P193 E197 | P193-N195 PolarHBondContact O-N 3.43Å; N195-E197 VanDerWaalsContact C-N 3.32Å; N195-E197 PolarHBondContact O-N 3.21Å | ||
| 196 | N | 44.1 | Very low | 54.9 | Low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -73.6 | 80.2 | 177.3 | -121.3 | 3.3 | 0 | 0 | 0 | 109.7 | I194 | I194-N196 PolarHBondContact O-N 2.86Š| ||
| 197 | E | 47.5 | Very low | 53 | Low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -98.7 | 115.6 | 165.3 | -72.8 | -170.6 | -177.1 | 0 | 0 | 109.6 | N195 H199 | N195-E197 VanDerWaalsContact C-N 3.32Å; N195-E197 PolarHBondContact O-N 3.21Å; E197-H199 PolarHBondContact O-N 2.82Å; E197-H199 VanDerWaalsContact O-N 3.14Å | ||
| 198 | L | 45.2 | Very low | 51.3 | Low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -49.2 | 113.9 | 176 | -79.3 | 138.8 | 0 | 0 | 0 | 110.5 | K200 | L198-K200 PolarHBondContact O-N 2.93Š| ||
| 199 | H | 46.4 | Very low | 49.8 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -58.7 | 102.4 | 169.5 | -144.5 | -47 | 0 | 0 | 0 | 108.4 | E197 | E197-H199 PolarHBondContact O-N 2.82Å; E197-H199 VanDerWaalsContact O-N 3.14Å | ||
| 200 | K | 48.5 | Very low | 48.8 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -63.4 | 136 | 165.6 | -77.2 | 179.5 | 177.6 | 176.1 | 0 | 107.7 | L198 D202 | L198-K200 PolarHBondContact O-N 2.93Å; K200-D202 PolarHBondContact O-N 3.22Å | ||
| 201 | V | 41 | Very low | 48.5 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -79.8 | 105.4 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | V203 | V201-V203 HydrophobicContact CG1-CG2 3.49Å; V201-V203 VanDerWaalsContact CG1-CG2 3.49Å; V201-V203 PolarHBondContact O-N 2.97Å | ||
| 202 | D | 45.3 | Very low | 47.8 | Very low | 159 Ų | 159 | 156.7 Ų | 156.7 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -88.9 | 93.2 | 163.9 | -68.8 | -25.2 | 0 | 0 | 0 | 107.6 | K200 E204 | K200-D202 PolarHBondContact O-N 3.22Å; D202-E204 PolarHBondContact O-N 2.81Å | ||
| 203 | V | 41.4 | Very low | 47.6 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 96.8 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 106.6 | V201 | V201-V203 HydrophobicContact CG1-CG2 3.49Å; V201-V203 VanDerWaalsContact CG1-CG2 3.49Å; V201-V203 PolarHBondContact O-N 2.97Å | ||
| 204 | E | 47.8 | Very low | 47.5 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 98.7 | 157.4 | -110.5 | 166.6 | -141.6 | 0 | 0 | 111.4 | D202 | D202-E204 PolarHBondContact O-N 2.81Š| ||
| 205 | G | 42.4 | Very low | 47.8 | Very low | 66 Ų | 66 | 151.9 Ų | 151.9 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 57.2 | 96.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 206 | N | 44.1 | Very low | 47.7 | Very low | 167 Ų | 167 | 154.4 Ų | 154.4 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -140.4 | 75.5 | 135.5 | -122.4 | 1.8 | 0 | 0 | 0 | 109.8 | Q208 | N206-Q208 PolarHBondContact O-N 3.23Š| ||
| 207 | I | 46.4 | Very low | 47.9 | Very low | 145 Ų | 145 | 154.3 Ų | 154.3 | 74% | 0.744 | 84% | 0.841 | S | S | * | * | trans | -82 | 102.4 | 163.5 | -61.3 | 168.5 | 0 | 0 | 0 | 106 | E209 | I207-E209 HydrophobicContact CG2-CG 3.93Š| ||
| 208 | Q | 52.3 | Low | 47.9 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | trans | -125.5 | 106.1 | 147.8 | -79 | -170 | -18.3 | 0 | 0 | 107.1 | N206 | N206-Q208 PolarHBondContact O-N 3.23Š| ||
| 209 | E | 46.8 | Very low | 48.1 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 81% | 0.808 | 84% | 0.839 | S | S | * | * | trans | -63.2 | 126 | 173.7 | -59.6 | 173.3 | 161.1 | 0 | 0 | 109.3 | I207 | I207-E209 HydrophobicContact CG2-CG 3.93Š| ||
| 210 | E | 58.2 | Low | 48.2 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | -129.9 | 123.6 | 157 | -85.7 | -78.2 | 163.7 | 0 | 0 | 107 | ||||
| 211 | P | 58.5 | Low | 48.1 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 71% | 0.714 | 84% | 0.842 | S | S | * | * | trans | -83.2 | 135.5 | -156.8 | 31 | -34.6 | 0 | 0 | 0 | 113.6 | S213 | P211-S213 PolarHBondContact O-N 3.49Š| ||
| 212 | F | 43.3 | Very low | 48.6 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | trans | -57 | 121.2 | 156.8 | -93.8 | -96 | 0 | 0 | 0 | 110 | ||||
| 213 | S | 51.3 | Low | 48.9 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 80% | 0.797 | 85% | 0.85 | S | S | * | * | trans | -116.9 | 109 | 149.8 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | P211 | P211-S213 PolarHBondContact O-N 3.49Š| ||
| 214 | A | 46.6 | Very low | 49.4 | Very low | 90 Ų | 90 | 151.9 Ų | 151.9 | 74% | 0.744 | 86% | 0.859 | S | S | * | * | trans | -64.4 | 142.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 215 | T | 56.7 | Low | 49.6 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | trans | -126.2 | 121.7 | 148.2 | 27.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 216 | S | 48.4 | Very low | 50.2 | Low | 194 Ų | 194 | 156 Ų | 156 | 100% | 1.357 | 87% | 0.872 | S | S | * | * | trans | -47.8 | 0 | 161.1 | -52.3 | 0 | 0 | 0 | 0 | 113.7 |
Retrieved 216 of 216 residues in 75.1 ms
(Link to these results)