| 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 | 43.5 | Very low | 49.3 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 100% | 1.182 | 65% | 0.653 | S | S | * | * | 0 | 110.7 | 0 | -159.4 | 170.9 | 172.9 | 0 | 0 | 107.2 | D3 | M1-D3 PolarHBondContact O-N 3.35Å; M1-D3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | F | 43.1 | Very low | 49.6 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -72.5 | 102.1 | -176.4 | -159.1 | -89.9 | 0 | 0 | 0 | 108.3 | Q4 V7 | F2-Q4 PolarHBondContact O-N 3.39Å; F2-V7 HydrophobicContact CE1-CG2 4.41Å | ||
| 3 | D | 50.7 | Low | 49.9 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 43% | 0.428 | 65% | 0.646 | S | S | . | * | trans | -90.2 | 99.2 | -177.7 | -171.4 | 4 | 0 | 0 | 0 | 109.4 | M1 N5 K6 V7 | M1-D3 PolarHBondContact O-N 3.35Å; M1-D3 VanDerWaalsContact O-N 3.12Å; D3-N5 PolarHBondContact O-N 3.37Å; D3-N5 VanDerWaalsContact O-N 3.14Å; D3-N5 WeakPolarHBondContact OD1-CB 3.4Å; D3-N5 PolarHBondContact OD1-N 3.39Å; D3-N5 VanDerWaalsContact OD1-N 3.1Å; D3-N5 PolarHBondContact OD1-ND2 2.99Å; D3-K6 HydrophobicContact CB-CB 4Å; D3-K6 WeakPolarHBondContact O-CB 3.38Å; D3-K6 PolarHBondContact O-N 3.39Å; D3-V7 PolarHBondContact O-N 3.44Å | ||
| 4 | Q | 46.9 | Very low | 49.8 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -54.1 | -30.6 | 175.4 | -74.7 | -176.5 | -39.6 | 0 | 0 | 111.6 | F2 K6 V7 L8 | F2-Q4 PolarHBondContact O-N 3.39Å; Q4-K6 VanDerWaalsContact C-N 3.28Å; Q4-K6 PolarHBondContact O-N 2.99Å; Q4-V7 PolarHBondContact O-N 3.4Å; Q4-L8 WeakPolarHBondContact O-CD1 3.33Å; Q4-L8 PolarHBondContact O-N 3.33Å |
| 5 | N | 53.1 | Low | 49.9 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.8 | -24.2 | 177.8 | -66.2 | -69.2 | 0 | 0 | 0 | 113.1 | D3 K9 | D3-N5 PolarHBondContact O-N 3.37Å; D3-N5 VanDerWaalsContact O-N 3.14Å; D3-N5 WeakPolarHBondContact OD1-CB 3.4Å; D3-N5 PolarHBondContact OD1-N 3.39Å; D3-N5 VanDerWaalsContact OD1-N 3.1Å; D3-N5 PolarHBondContact OD1-ND2 2.99Å; N5-K9 WeakPolarHBondContact O-CB 3.48Å; N5-K9 VanDerWaalsContact O-CG 3.25Å; N5-K9 WeakPolarHBondContact O-CG 3.38Å; N5-K9 PolarHBondContact O-N 3.41Å; N5-K9 VanDerWaalsContact O-N 3.13Å |
| 6 | K | 53.5 | Low | 50 | Low | 141 Ų | 141 | 119.7 Ų | 119.7 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.3 | -34.3 | 177.5 | -149.4 | 175.9 | -173.9 | -173.7 | 0 | 111.3 | D3 Q4 N10 | D3-K6 HydrophobicContact CB-CB 4Å; D3-K6 WeakPolarHBondContact O-CB 3.38Å; D3-K6 PolarHBondContact O-N 3.39Å; Q4-K6 VanDerWaalsContact C-N 3.28Å; Q4-K6 PolarHBondContact O-N 2.99Å; K6-N10 WeakPolarHBondContact O-CB 3.4Å; K6-N10 VanDerWaalsContact O-CG 3.26Å; K6-N10 PolarHBondContact O-N 3.31Å; K6-N10 VanDerWaalsContact O-N 3.08Å; K6-N10 PolarHBondContact O-ND2 3.29Å |
| 7 | V | 50.2 | Low | 49.8 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.3 | -43.9 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | F2 D3 Q4 N10 Y11 | F2-V7 HydrophobicContact CE1-CG2 4.41Å; D3-V7 PolarHBondContact O-N 3.44Å; Q4-V7 PolarHBondContact O-N 3.4Å; V7-N10 PolarHBondContact O-N 2.94Å; V7-Y11 WeakPolarHBondContact O-CB 3.45Å; V7-Y11 PolarHBondContact O-N 3.3Å |
| 8 | L | 49.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.6 | -37.8 | 177.5 | -87.1 | 125.9 | 0 | 0 | 0 | 113.3 | Q4 N10 Y11 A12 | Q4-L8 WeakPolarHBondContact O-CD1 3.33Å; Q4-L8 PolarHBondContact O-N 3.33Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-Y11 PolarHBondContact O-N 2.93Å; L8-A12 PolarHBondContact O-N 3.05Å; L8-A12 VanDerWaalsContact O-N 3.11Å |
| 9 | K | 52.7 | Low | 49.7 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | 173.5 | -74.9 | 174.7 | -177.7 | -179.5 | 0 | 112.1 | N5 A13 | N5-K9 WeakPolarHBondContact O-CB 3.48Å; N5-K9 VanDerWaalsContact O-CG 3.25Å; N5-K9 WeakPolarHBondContact O-CG 3.38Å; N5-K9 PolarHBondContact O-N 3.41Å; N5-K9 VanDerWaalsContact O-N 3.13Å; K9-A13 VanDerWaalsContact O-CB 3.31Å; K9-A13 WeakPolarHBondContact O-CB 3.45Å; K9-A13 PolarHBondContact O-N 2.93Å |
| 10 | N | 53.4 | Low | 49.9 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 57% | 0.572 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.8 | -32.3 | 173.5 | -72.9 | -19.7 | 0 | 0 | 0 | 112.8 | K6 V7 L8 A12 A13 G14 | K6-N10 WeakPolarHBondContact O-CB 3.4Å; K6-N10 VanDerWaalsContact O-CG 3.26Å; K6-N10 PolarHBondContact O-N 3.31Å; K6-N10 VanDerWaalsContact O-N 3.08Å; K6-N10 PolarHBondContact O-ND2 3.29Å; V7-N10 PolarHBondContact O-N 2.94Å; L8-N10 VanDerWaalsContact C-N 3.34Å; N10-A12 VanDerWaalsContact C-N 3.35Å; N10-A13 PolarHBondContact O-N 3.43Å; N10-G14 PolarHBondContact O-N 3.38Å |
| 11 | Y | 45.6 | Very low | 49.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 65% | 0.651 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66 | -37.7 | 175.8 | -159.4 | -95.4 | 0 | 0 | 0 | 111.7 | V7 L8 M15 | V7-Y11 WeakPolarHBondContact O-CB 3.45Å; V7-Y11 PolarHBondContact O-N 3.3Å; L8-Y11 PolarHBondContact O-N 2.93Å; Y11-M15 HydrophobicContact CE1-CE 4.24Å; Y11-M15 HydrophobicContact CE1-SD 4.37Å |
| 12 | A | 53.4 | Low | 49.8 | Very low | 76 Ų | 76 | 118 Ų | 118 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.4 | -35.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L8 N10 | L8-A12 PolarHBondContact O-N 3.05Å; L8-A12 VanDerWaalsContact O-N 3.11Å; N10-A12 VanDerWaalsContact C-N 3.35Å |
| 13 | A | 54.1 | Low | 50.2 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.3 | -23.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K9 N10 | K9-A13 VanDerWaalsContact O-CB 3.31Å; K9-A13 WeakPolarHBondContact O-CB 3.45Å; K9-A13 PolarHBondContact O-N 2.93Å; N10-A13 PolarHBondContact O-N 3.43Å |
| 14 | G | 48.4 | Very low | 50.4 | Low | 49 Ų | 49 | 110.7 Ų | 110.7 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | -0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N10 T16 | N10-G14 PolarHBondContact O-N 3.38Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 3.46Å |
| 15 | M | 51.1 | Low | 50.7 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 49% | 0.488 | 60% | 0.6 | S | S | . | * | trans | -85.4 | 9.3 | 179.5 | -98 | -168.1 | 149.8 | 0 | 0 | 114.5 | Y11 M17 | Y11-M15 HydrophobicContact CE1-CE 4.24Å; Y11-M15 HydrophobicContact CE1-SD 4.37Å; M15-M17 PolarHBondContact O-N 3.02Å | ||
| 16 | T | 50.9 | Low | 50.7 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | trans | -76.5 | 72.5 | 166.7 | 71.9 | 0 | 0 | 0 | 0 | 109 | G14 P18 | G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 3.46Å; T16-P18 VanDerWaalsContact O-CD 3.29Å; T16-P18 WeakPolarHBondContact O-CD 3.47Å | ||
| 17 | M | 46.2 | Very low | 50.6 | Low | 123 Ų | 123 | 104 Ų | 104 | 61% | 0.606 | 61% | 0.609 | S | S | * | * | trans | -75.9 | 111.4 | 167.9 | -68.5 | -68.7 | -179 | 0 | 0 | 107.5 | M15 G19 I20 | M15-M17 PolarHBondContact O-N 3.02Å; M17-G19 PolarHBondContact O-N 2.94Å; M17-G19 VanDerWaalsContact O-N 3.12Å; M17-I20 PolarHBondContact O-N 3.29Å | ||
| 18 | P | 45 | Very low | 50.8 | Low | 130 Ų | 130 | 104.8 Ų | 104.8 | 84% | 0.844 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 118.2 | 177.6 | 27.3 | -31.4 | 0 | 0 | 0 | 108.2 | T16 | T16-P18 VanDerWaalsContact O-CD 3.29Å; T16-P18 WeakPolarHBondContact O-CD 3.47Å |
| 19 | G | 54.2 | Low | 51.3 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.7 | -2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | M17 | M17-G19 PolarHBondContact O-N 2.94Å; M17-G19 VanDerWaalsContact O-N 3.12Å |
| 20 | I | 52 | Low | 51.6 | Low | 113 Ų | 113 | 103 Ų | 103 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | trans | -121.5 | 100.2 | 170.4 | -60.1 | 173.9 | 0 | 0 | 0 | 108.5 | M17 W22 | M17-I20 PolarHBondContact O-N 3.29Å; I20-W22 PolarHBondContact O-N 3.21Å | ||
| 21 | Y | 46.6 | Very low | 52.1 | Low | 189 Ų | 189 | 102.5 Ų | 102.5 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | trans | -69.3 | 98.8 | 171.5 | 176.1 | -110.7 | 0 | 0 | 0 | 108.6 | P23 | Y21-P23 HydrophobicContact CD1-CB 4.09Å; Y21-P23 HydrophobicContact CD1-CG 3.73Å; Y21-P23 HydrophobicContact CE1-CB 3.48Å; Y21-P23 VanDerWaalsContact CE1-CB 3.48Å; Y21-P23 HydrophobicContact CE1-CG 3.61Å; Y21-P23 WeakPolarHBondContact O-CD 3.3Å | ||
| 22 | W | 46.2 | Very low | 52.8 | Low | 167 Ų | 167 | 99.8 Ų | 99.8 | 63% | 0.633 | 60% | 0.603 | S | S | * | * | trans | -76.1 | 108.4 | 162.8 | -79.8 | 98.3 | 0 | 0 | 0 | 107.5 | I20 S24 | I20-W22 PolarHBondContact O-N 3.21Å; W22-S24 PolarHBondContact O-N 3.04Å | ||
| 23 | P | 51.7 | Low | 53.3 | Low | 39 Ų | 39 | 99.2 Ų | 99.2 | 25% | 0.253 | 59% | 0.585 | S | S | . | * | trans | -70.2 | 142.6 | -177.3 | -8.4 | 26.5 | 0 | 0 | 0 | 108.1 | Y21 A25 F28 | Y21-P23 HydrophobicContact CD1-CB 4.09Å; Y21-P23 HydrophobicContact CD1-CG 3.73Å; Y21-P23 HydrophobicContact CE1-CB 3.48Å; Y21-P23 VanDerWaalsContact CE1-CB 3.48Å; Y21-P23 HydrophobicContact CE1-CG 3.61Å; Y21-P23 WeakPolarHBondContact O-CD 3.3Å; P23-A25 PolarHBondContact O-N 2.93Å; P23-F28 HydrophobicContact CB-CD2 4.13Å; P23-F28 HydrophobicContact CB-CE2 3.24Å; P23-F28 HydrophobicContact CB-CZ 3.79Å; P23-F28 HydrophobicContact CG-CE2 3.29Å; P23-F28 HydrophobicContact CG-CZ 3.56Å | ||
| 24 | S | 54.5 | Low | 54 | Low | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | trans | -52.3 | 131.5 | -178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | W22 A26 S27 | W22-S24 PolarHBondContact O-N 3.04Å; S24-A26 PolarHBondContact O-N 2.98Å; S24-S27 PolarHBondContact O-N 3.31Å | ||
| 25 | A | 53.6 | Low | 54.9 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -49.1 | -31.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P23 S27 F28 | P23-A25 PolarHBondContact O-N 2.93Å; A25-S27 PolarHBondContact O-N 3.47Å; A25-F28 PolarHBondContact O-N 3.35Å |
| 26 | A | 51.6 | Low | 55.9 | Low | 89 Ų | 89 | 97.6 Ų | 97.6 | 74% | 0.736 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -59.9 | -18.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | S24 | S24-A26 PolarHBondContact O-N 2.98Š|
| 27 | S | 52.6 | Low | 57 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -95.8 | -14.8 | -177.6 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | S24 A25 | S24-S27 PolarHBondContact O-N 3.31Å; A25-S27 PolarHBondContact O-N 3.47Å |
| 28 | F | 52.8 | Low | 58.2 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | -16 | -171.8 | -77.3 | -62.7 | 0 | 0 | 0 | 115.1 | P23 A25 N30 | P23-F28 HydrophobicContact CB-CD2 4.13Å; P23-F28 HydrophobicContact CB-CE2 3.24Å; P23-F28 HydrophobicContact CB-CZ 3.79Å; P23-F28 HydrophobicContact CG-CE2 3.29Å; P23-F28 HydrophobicContact CG-CZ 3.56Å; A25-F28 PolarHBondContact O-N 3.35Å; F28-N30 PolarHBondContact O-N 2.94Å |
| 29 | D | 60.3 | Low | 59.5 | Low | 71 Ų | 71 | 91.9 Ų | 91.9 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.3 | -158.4 | -74 | -20.7 | 0 | 0 | 0 | 115.9 | Q143 | D29-Q143 VanDerWaalsContact CA-NE2 3.25Å; D29-Q143 PolarHBondContact O-NE2 3.1Å; D29-Q143 PolarHBondContact OD1-NE2 3.22Å |
| 30 | N | 59.2 | Low | 60.6 | Low | 146 Ų | 146 | 90.2 Ų | 90.2 | 78% | 0.781 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -30.1 | -171.4 | -142.7 | 29.6 | 0 | 0 | 0 | 114.9 | F28 A34 | F28-N30 PolarHBondContact O-N 2.94Å; N30-A34 VanDerWaalsContact O-CB 3.23Å; N30-A34 WeakPolarHBondContact O-CB 3.38Å; N30-A34 PolarHBondContact O-N 2.99Å |
| 31 | S | 64.2 | Low | 61.6 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -86.5 | -44.5 | -171.5 | -170.4 | 0 | 0 | 0 | 0 | 113.8 | A35 | S31-A35 WeakPolarHBondContact O-CB 3.26Å; S31-A35 PolarHBondContact O-N 3.36Å; S31-A35 VanDerWaalsContact O-N 3.09Å |
| 32 | M | 61 | Low | 63 | Low | 110 Ų | 110 | 84.2 Ų | 84.2 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | -177.9 | -78.2 | -104.4 | 85.6 | 0 | 0 | 111.7 | A35 Y36 | M32-A35 PolarHBondContact O-N 2.9Å; M32-Y36 PolarHBondContact O-N 3.32Å |
| 33 | Y | 64 | Low | 64.2 | Low | 63 Ų | 63 | 79 Ų | 79 | 25% | 0.247 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 179 | -173.8 | -87.8 | 0 | 0 | 0 | 112.1 | Y36 S37 M139 Q143 | Y33-Y36 PolarHBondContact O-N 3.48Å; Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 2.96Å; Y33-M139 HydrophobicContact CE2-CB 3.87Å; Y33-M139 HydrophobicContact CE2-CE 3.52Å; Y33-M139 HydrophobicContact CE2-CG 4.46Å; Y33-M139 WeakPolarHBondContact OH-CB 3.29Å; Y33-M139 WeakPolarHBondContact OH-CE 3.38Å; Y33-M139 WeakPolarHBondContact OH-CG 3.47Å; Y33-Q143 HydrophobicContact CD2-CB 4.11Å; Y33-Q143 HydrophobicContact CD2-CG 4.46Å |
| 34 | A | 67.6 | Low | 65.1 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | N30 S37 Q38 | N30-A34 VanDerWaalsContact O-CB 3.23Å; N30-A34 WeakPolarHBondContact O-CB 3.38Å; N30-A34 PolarHBondContact O-N 2.99Å; A34-S37 PolarHBondContact O-N 3.43Å; A34-Q38 WeakPolarHBondContact O-CB 3.22Å; A34-Q38 PolarHBondContact O-N 2.89Å |
| 35 | A | 68.4 | Low | 65.9 | Low | 47 Ų | 47 | 78.6 Ų | 78.6 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S31 M32 Q38 A39 | S31-A35 WeakPolarHBondContact O-CB 3.26Å; S31-A35 PolarHBondContact O-N 3.36Å; S31-A35 VanDerWaalsContact O-N 3.09Å; M32-A35 PolarHBondContact O-N 2.9Å; A35-Q38 PolarHBondContact O-N 3.5Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.21Å |
| 36 | Y | 71.3 | Confident | 66.5 | Low | 84 Ų | 84 | 78.4 Ų | 78.4 | 33% | 0.329 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.8 | 175.2 | -103.6 | 0 | 0 | 0 | 112.3 | M32 Y33 Q38 A39 S40 E142 L146 | M32-Y36 PolarHBondContact O-N 3.32Å; Y33-Y36 PolarHBondContact O-N 3.48Å; Y36-Q38 VanDerWaalsContact C-N 3.26Å; Y36-Q38 PolarHBondContact O-N 3.39Å; Y36-A39 PolarHBondContact O-N 2.97Å; Y36-S40 WeakPolarHBondContact O-CB 3.39Å; Y36-S40 PolarHBondContact O-N 3.25Å; Y36-S40 PolarHBondContact O-OG 2.91Å; Y36-E142 HydrophobicContact CE1-CG 4.37Å; Y36-E142 WeakPolarHBondContact CE1-OE1 3.35Å; Y36-E142 PolarHBondContact OH-OE1 3.14Å; Y36-L146 HydrophobicContact CD1-CD1 3.93Å; Y36-L146 HydrophobicContact CD2-CD1 3.78Å; Y36-L146 HydrophobicContact CE1-CD1 4.25Å; Y36-L146 HydrophobicContact CE2-CD1 4.13Å; Y36-L146 HydrophobicContact CG-CD1 3.66Å |
| 37 | S | 73.7 | Confident | 66.9 | Low | 62 Ų | 62 | 79 Ų | 79 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -36 | 175 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | Y33 A34 S40 A41 | Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 2.96Å; A34-S37 PolarHBondContact O-N 3.43Å; S37-S40 WeakPolarHBondContact CA-OG 3.24Å; S37-S40 PolarHBondContact O-OG 3.46Å; S37-S40 VanDerWaalsContact O-OG 3.14Å; S37-A41 VanDerWaalsContact O-CB 3.23Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.98Å; S37-A41 VanDerWaalsContact O-N 3.14Å |
| 38 | Q | 71.9 | Confident | 67.2 | Low | 135 Ų | 135 | 80.2 Ų | 80.2 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.3 | -45.1 | 175.2 | -172.7 | 178.4 | 50.7 | 0 | 0 | 111.4 | A34 A35 Y36 A41 L42 | A34-Q38 WeakPolarHBondContact O-CB 3.22Å; A34-Q38 PolarHBondContact O-N 2.89Å; A35-Q38 PolarHBondContact O-N 3.5Å; Y36-Q38 VanDerWaalsContact C-N 3.26Å; Y36-Q38 PolarHBondContact O-N 3.39Å; Q38-A41 PolarHBondContact O-N 2.91Å; Q38-L42 HydrophobicContact CG-CD1 4.38Å; Q38-L42 WeakPolarHBondContact O-CG 3.47Å; Q38-L42 PolarHBondContact O-N 3.04Å |
| 39 | A | 72.2 | Confident | 67.4 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A35 Y36 L42 A43 | A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.21Å; Y36-A39 PolarHBondContact O-N 2.97Å; A39-L42 PolarHBondContact O-N 3.36Å; A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.42Å |
| 40 | S | 76.4 | Confident | 66.8 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 33% | 0.329 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.2 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | Y36 S37 A43 A44 | Y36-S40 WeakPolarHBondContact O-CB 3.39Å; Y36-S40 PolarHBondContact O-N 3.25Å; Y36-S40 PolarHBondContact O-OG 2.91Å; S37-S40 WeakPolarHBondContact CA-OG 3.24Å; S37-S40 PolarHBondContact O-OG 3.46Å; S37-S40 VanDerWaalsContact O-OG 3.14Å; S40-A43 PolarHBondContact O-N 3.2Å; S40-A44 WeakPolarHBondContact O-CB 3.4Å; S40-A44 PolarHBondContact O-N 3.38Å |
| 41 | A | 74.4 | Confident | 66.1 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S37 Q38 A44 A45 | S37-A41 VanDerWaalsContact O-CB 3.23Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.98Å; S37-A41 VanDerWaalsContact O-N 3.14Å; Q38-A41 PolarHBondContact O-N 2.91Å; A41-A44 PolarHBondContact O-N 2.96Å; A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.32Å; A41-A45 PolarHBondContact O-N 2.82Å |
| 42 | L | 74.5 | Confident | 65 | Low | 117 Ų | 117 | 79.4 Ų | 79.4 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 174.6 | -71.4 | 171 | 0 | 0 | 0 | 112 | Q38 A39 A45 A46 | Q38-L42 HydrophobicContact CG-CD1 4.38Å; Q38-L42 WeakPolarHBondContact O-CG 3.47Å; Q38-L42 PolarHBondContact O-N 3.04Å; A39-L42 PolarHBondContact O-N 3.36Å; L42-A45 PolarHBondContact O-N 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.35Å; L42-A46 PolarHBondContact O-N 3.01Å |
| 43 | A | 72.7 | Confident | 64 | Low | 58 Ų | 58 | 77.1 Ų | 77.1 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A39 S40 A46 V47 | A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.42Å; S40-A43 PolarHBondContact O-N 3.2Å; A43-A46 PolarHBondContact O-N 2.99Å; A43-V47 PolarHBondContact O-N 2.96Å |
| 44 | A | 70.8 | Confident | 62.9 | Low | 58 Ų | 58 | 83.3 Ų | 83.3 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S40 A41 A46 V47 V48 | S40-A44 WeakPolarHBondContact O-CB 3.4Å; S40-A44 PolarHBondContact O-N 3.38Å; A41-A44 PolarHBondContact O-N 2.96Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 3.49Å; A44-V47 PolarHBondContact O-N 3.47Å; A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.35Å |
| 45 | A | 71.5 | Confident | 61.8 | Low | 45 Ų | 45 | 87.5 Ų | 87.5 | 37% | 0.372 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -34.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A41 L42 V48 N49 | A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.32Å; A41-A45 PolarHBondContact O-N 2.82Å; L42-A45 PolarHBondContact O-N 3.27Å; A45-V48 PolarHBondContact O-N 3.38Å; A45-N49 PolarHBondContact O-N 2.85Å; A45-N49 PolarHBondContact O-ND2 3.43Å |
| 46 | A | 65.3 | Low | 60.9 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.2 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L42 A43 A44 N49 G50 | L42-A46 WeakPolarHBondContact O-CB 3.35Å; L42-A46 PolarHBondContact O-N 3.01Å; A43-A46 PolarHBondContact O-N 2.99Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 3.49Å; A46-N49 PolarHBondContact O-N 2.86Å; A46-G50 WeakPolarHBondContact O-CA 3.34Å; A46-G50 PolarHBondContact O-N 3.47Å |
| 47 | V | 61 | Low | 59.3 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 61% | 0.606 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.2 | -39.3 | 172.5 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | A43 A44 N49 G50 A51 | A43-V47 PolarHBondContact O-N 2.96Å; A44-V47 PolarHBondContact O-N 3.47Å; V47-N49 VanDerWaalsContact C-N 3.35Å; V47-N49 PolarHBondContact O-N 3.02Å; V47-G50 PolarHBondContact O-N 2.95Å; V47-A51 WeakPolarHBondContact O-CB 3.35Å; V47-A51 PolarHBondContact O-N 3.23Å |
| 48 | V | 58.8 | Low | 58.1 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.9 | -31.5 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 112.4 | A44 A45 | A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.35Å; A45-V48 PolarHBondContact O-N 3.38Å |
| 49 | N | 55.4 | Low | 56.9 | Low | 143 Ų | 143 | 97.7 Ų | 97.7 | 77% | 0.765 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -91.7 | -15 | 175.9 | -73.1 | -35.5 | 0 | 0 | 0 | 114.1 | A45 A46 V47 | A45-N49 PolarHBondContact O-N 2.85Å; A45-N49 PolarHBondContact O-ND2 3.43Å; A46-N49 PolarHBondContact O-N 2.86Å; V47-N49 VanDerWaalsContact C-N 3.35Å; V47-N49 PolarHBondContact O-N 3.02Å |
| 50 | G | 48.3 | Very low | 55.6 | Low | 65 Ų | 65 | 104.7 Ų | 104.7 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -102.3 | -7.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A46 V47 | A46-G50 WeakPolarHBondContact O-CA 3.34Å; A46-G50 PolarHBondContact O-N 3.47Å; V47-G50 PolarHBondContact O-N 2.95Å |
| 51 | A | 44.2 | Very low | 54 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 63% | 0.628 | 70% | 0.702 | S | S | * | * | trans | -107.8 | 47.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V47 G53 | V47-A51 WeakPolarHBondContact O-CB 3.35Å; V47-A51 PolarHBondContact O-N 3.23Å; A51-G53 VanDerWaalsContact C-N 3.27Å; A51-G53 PolarHBondContact O-N 3.5Å | ||
| 52 | A | 41.2 | Very low | 52.5 | Low | 108 Ų | 108 | 108.1 Ų | 108.1 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | trans | -85.7 | 70.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 53 | G | 40.3 | Very low | 51.5 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | -145.7 | 90.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A51 | A51-G53 VanDerWaalsContact C-N 3.27Å; A51-G53 PolarHBondContact O-N 3.5Å | ||
| 54 | Q | 41.4 | Very low | 50.4 | Low | 193 Ų | 193 | 111 Ų | 111 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | 54 | 104.3 | 154.2 | -62.5 | -179.6 | 7.1 | 0 | 0 | 118.7 | ||||
| 55 | V | 45 | Very low | 49.4 | Very low | 143 Ų | 143 | 111.8 Ų | 111.8 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -107.7 | 122.1 | 159.4 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 56 | P | 47.6 | Very low | 48.6 | Very low | 117 Ų | 117 | 116.1 Ų | 116.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -102 | 120.5 | 162.7 | 31.2 | -20.2 | 0 | 0 | 0 | 111.3 | ||||
| 57 | S | 38.3 | Very low | 47.6 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -17.3 | 128.2 | 159.2 | -37.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 58 | S | 48.4 | Very low | 47.3 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -146.3 | 129.7 | 141 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 59 | Q | 47.4 | Very low | 46.9 | Very low | 186 Ų | 186 | 121.3 Ų | 121.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -79.2 | 141.3 | -170.5 | -61 | 161.6 | 1.9 | 0 | 0 | 111.2 | ||||
| 60 | Q | 44.1 | Very low | 46.4 | Very low | 204 Ų | 204 | 118.1 Ų | 118.1 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | -169.9 | 151.6 | 121.1 | -129 | 163 | -2 | 0 | 0 | 113.6 | |||||
| 61 | A | 44.1 | Very low | 46.4 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 161.4 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 62 | G | 42.1 | Very low | 46.4 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 166.9 | 66.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 63 | S | 52.7 | Low | 46.7 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | 44.8 | 122.1 | 146.8 | 62.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 64 | S | 51.4 | Low | 47.5 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | 83.5 | 117.4 | 130.6 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 65 | G | 48.4 | Very low | 48.5 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 158.6 | 110.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 66 | P | 54.2 | Low | 48.8 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -86.4 | 164.4 | -168.2 | 35.1 | -34.1 | 0 | 0 | 0 | 114.5 | ||||
| 67 | A | 44.9 | Very low | 49 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -61 | 150.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 68 | S | 55.8 | Low | 49.4 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -133.1 | 122.9 | 145.3 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 69 | N | 49.6 | Very low | 49.2 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -65.1 | 135.7 | 173.5 | -80.8 | -24.6 | 0 | 0 | 0 | 110.4 | ||||
| 70 | G | 44.9 | Very low | 49.2 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -146.3 | 108.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 71 | S | 48.5 | Very low | 49.4 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -60.4 | 141.2 | -168.7 | 51.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 72 | S | 44 | Very low | 49.7 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -7.9 | 125.7 | 139.2 | 56.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 73 | S | 48 | Very low | 49.9 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | -175.4 | 104.8 | 127.3 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 74 | T | 56.7 | Low | 50 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129 | 155.4 | 40.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 75 | P | 62.5 | Low | 50.2 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 133.2 | 169.4 | 31.8 | -27.8 | 0 | 0 | 0 | 108.7 | ||
| 76 | P | 51.6 | Low | 50.6 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 118.8 | 162 | 32.3 | -24.3 | 0 | 0 | 0 | 107.2 | ||
| 77 | Y | 51.6 | Low | 50.3 | Low | 216 Ų | 216 | 120.7 Ų | 120.7 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -111.3 | 90 | 162.6 | -145.5 | -97.6 | 0 | 0 | 0 | 109.1 | ||||
| 78 | S | 47.3 | Very low | 50.7 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -62.7 | 137.9 | 158.1 | -73.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | A | 43.7 | Very low | 50.2 | Low | 94 Ų | 94 | 123.9 Ų | 123.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 30.5 | 108.7 | 145 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 80 | M | 47.1 | Very low | 50.2 | Low | 149 Ų | 149 | 119 Ų | 119 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | -145.6 | 106.3 | 129.9 | -171.6 | 170.2 | -178.4 | 0 | 0 | 109.7 | T82 | M80-T82 WeakPolarHBondContact CE-OG1 3.45Å; M80-T82 PolarHBondContact O-N 3.4Å | |||
| 81 | V | 49.4 | Very low | 50.4 | Low | 138 Ų | 138 | 121.3 Ų | 121.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 118 | 160 | 177 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 82 | T | 49 | Very low | 50.7 | Low | 106 Ų | 106 | 123 Ų | 123 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -149.4 | 113.7 | 149.7 | -4.3 | 0 | 0 | 0 | 0 | 109.7 | M80 | M80-T82 WeakPolarHBondContact CE-OG1 3.45Å; M80-T82 PolarHBondContact O-N 3.4Å | ||
| 83 | S | 46.2 | Very low | 51 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -58.3 | 123.3 | 167.8 | 44.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 84 | S | 54.7 | Low | 51.4 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -155.6 | 97.7 | 152.5 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | P86 | S84-P86 WeakPolarHBondContact O-CD 3.39Š| ||
| 85 | T | 56 | Low | 51 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 124.2 | 170.2 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 86 | P | 57.9 | Low | 50.4 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -90.3 | 105.6 | 150.4 | 31.2 | -24.7 | 0 | 0 | 0 | 108 | S84 L88 | S84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-L88 VanDerWaalsContact C-N 3.33Å; P86-L88 PolarHBondContact O-N 3.36Å | ||
| 87 | T | 46 | Very low | 50.3 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | trans | -63 | 94 | 164.5 | -55.1 | 0 | 0 | 0 | 0 | 108.1 | T89 | T87-T89 HydrophobicContact CG2-CG2 4.3Š| ||
| 88 | L | 54.8 | Low | 49.9 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -99.7 | 84.8 | 163.6 | -65.5 | -177.9 | 0 | 0 | 0 | 108.1 | P86 A90 | P86-L88 VanDerWaalsContact C-N 3.33Å; P86-L88 PolarHBondContact O-N 3.36Å; L88-A90 PolarHBondContact O-N 3.09Å | ||
| 89 | T | 43.9 | Very low | 50.5 | Low | 133 Ų | 133 | 123.4 Ų | 123.4 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -64.7 | 78.4 | 156.1 | 34 | 0 | 0 | 0 | 0 | 108.4 | T87 | T87-T89 HydrophobicContact CG2-CG2 4.3Š| ||
| 90 | A | 50.9 | Low | 51.2 | Low | 70 Ų | 70 | 123.8 Ų | 123.8 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | trans | -105.4 | 103.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | L88 I92 | L88-A90 PolarHBondContact O-N 3.09Å; A90-I92 PolarHBondContact O-N 2.94Å | ||
| 91 | S | 48.3 | Very low | 51.9 | Low | 125 Ų | 125 | 122.2 Ų | 122.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -55 | 87.9 | 163.2 | 41.7 | 0 | 0 | 0 | 0 | 109.5 | A93 | S91-A93 PolarHBondContact O-N 3.28Š| ||
| 92 | I | 54.6 | Low | 52.8 | Low | 142 Ų | 142 | 119.9 Ų | 119.9 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | -76.3 | 88 | 165.9 | -56.3 | -176.1 | 0 | 0 | 0 | 105.8 | A90 L94 | A90-I92 PolarHBondContact O-N 2.94Å; I92-L94 PolarHBondContact O-N 2.93Å | ||
| 93 | A | 50.7 | Low | 53.6 | Low | 80 Ų | 80 | 120.8 Ų | 120.8 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | trans | -54.1 | 105.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | S91 Q95 | S91-A93 PolarHBondContact O-N 3.28Å; A93-Q95 PolarHBondContact O-N 3Å | ||
| 94 | L | 56.1 | Low | 54.7 | Low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -65.8 | 78.6 | 166.4 | -75.6 | 161.5 | 0 | 0 | 0 | 107.4 | I92 S96 | I92-L94 PolarHBondContact O-N 2.93Å; L94-S96 PolarHBondContact O-N 3.21Å | ||
| 95 | Q | 47.8 | Very low | 55.5 | Low | 155 Ų | 155 | 128.5 Ų | 128.5 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | -65.9 | 90.8 | 158.6 | -80.1 | -177.6 | 8 | 0 | 0 | 106.4 | A93 Q97 | A93-Q95 PolarHBondContact O-N 3Å; Q95-Q97 PolarHBondContact O-N 2.89Å | ||
| 96 | S | 50 | Low | 56.4 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -62.6 | 78.2 | 162.9 | -169.1 | 0 | 0 | 0 | 0 | 107.5 | L94 N98 | L94-S96 PolarHBondContact O-N 3.21Å; S96-N98 PolarHBondContact O-N 3.01Å | ||
| 97 | Q | 50.3 | Low | 57.5 | Low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 110.6 | 164.8 | -75 | -81.2 | -3.6 | 0 | 0 | 105.5 | Q95 I99 | Q95-Q97 PolarHBondContact O-N 2.89Å; Q97-I99 HydrophobicContact CB-CG1 4.19Å; Q97-I99 WeakPolarHBondContact O-CG1 3.23Å; Q97-I99 PolarHBondContact O-N 3.46Å | ||
| 98 | N | 44 | Very low | 59.1 | Low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | -68.3 | 74 | 175 | -173.1 | 47.6 | 0 | 0 | 0 | 108.3 | S96 T100 | S96-N98 PolarHBondContact O-N 3.01Å; N98-T100 VanDerWaalsContact C-N 3.34Å; N98-T100 PolarHBondContact O-N 3.4Å | ||
| 99 | I | 59.3 | Low | 60.5 | Low | 143 Ų | 143 | 134.3 Ų | 134.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -75.1 | 95.4 | 172.9 | -38.4 | -177.8 | 0 | 0 | 0 | 105.7 | Q97 | Q97-I99 HydrophobicContact CB-CG1 4.19Å; Q97-I99 WeakPolarHBondContact O-CG1 3.23Å; Q97-I99 PolarHBondContact O-N 3.46Å | ||
| 100 | T | 59 | Low | 62.3 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 63% | 0.632 | 73% | 0.729 | S | S | * | * | trans | -52.5 | 124.4 | 163.6 | 46.9 | 0 | 0 | 0 | 0 | 106.9 | N98 S102 | N98-T100 VanDerWaalsContact C-N 3.34Å; N98-T100 PolarHBondContact O-N 3.4Å; T100-S102 VanDerWaalsContact C-N 3.33Å; T100-S102 PolarHBondContact O-N 3.25Å | ||
| 101 | P | 62 | Low | 64.1 | Low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | -66.9 | 98.6 | -179.7 | 25.4 | -31.1 | 0 | 0 | 0 | 107.5 | ||||
| 102 | S | 67.1 | Low | 65.8 | Low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | -51.3 | 139.5 | 165.8 | 59.7 | 0 | 0 | 0 | 0 | 108.1 | T100 K104 | T100-S102 VanDerWaalsContact C-N 3.33Å; T100-S102 PolarHBondContact O-N 3.25Å; S102-K104 PolarHBondContact O-N 2.99Å | ||
| 103 | P | 66.5 | Low | 67.3 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -54.6 | 110.7 | -177.4 | 22 | -32.2 | 0 | 0 | 0 | 109.2 | K105 | P103-K105 PolarHBondContact O-N 3.47Å; P103-K105 VanDerWaalsContact O-N 3.1Å | ||
| 104 | K | 68.3 | Low | 68.9 | Low | 188 Ų | 188 | 132.9 Ų | 132.9 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -63.3 | 115.7 | -180 | -66.5 | 179 | -178.5 | 174.8 | 0 | 106.9 | S102 K106 | S102-K104 PolarHBondContact O-N 2.99Å; K104-K106 PolarHBondContact O-N 3.46Å | ||
| 105 | K | 72.4 | Confident | 70.6 | Confident | 197 Ų | 197 | 128.2 Ų | 128.2 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.7 | 169.5 | -70.9 | -178.2 | 178.7 | -179 | 0 | 108 | P103 | P103-K105 PolarHBondContact O-N 3.47Å; P103-K105 VanDerWaalsContact O-N 3.1Å |
| 106 | K | 74.9 | Confident | 72.7 | Confident | 195 Ų | 195 | 124.7 Ų | 124.7 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.6 | 176.7 | -67 | 177 | -177.8 | 177.4 | 0 | 107.4 | K104 E108 | K104-K106 PolarHBondContact O-N 3.46Å; K106-E108 PolarHBondContact O-N 2.71Å; K106-E108 VanDerWaalsContact O-N 3.09Å |
| 107 | P | 79.7 | Confident | 74.7 | Confident | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59 | 118 | 177.4 | -20.6 | 30.6 | 0 | 0 | 0 | 109 | ||
| 108 | E | 80.4 | Confident | 76.7 | Confident | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.5 | 171.7 | -69.2 | -168.9 | 176.2 | 0 | 0 | 108.8 | K106 V110 | K106-E108 PolarHBondContact O-N 2.71Å; K106-E108 VanDerWaalsContact O-N 3.09Å; E108-V110 PolarHBondContact O-N 2.9Å |
| 109 | P | 83.8 | Confident | 79.2 | Confident | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.6 | 173.7 | -22.6 | 33.1 | 0 | 0 | 0 | 109.9 | P111 | P109-P111 VanDerWaalsContact O-CD 3.3Å; P109-P111 WeakPolarHBondContact O-CD 3.49Å |
| 110 | V | 83 | Confident | 80.9 | Confident | 51 Ų | 51 | 120.5 Ų | 120.5 | 31% | 0.309 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 122.3 | 174.2 | 178 | 0 | 0 | 0 | 0 | 108.2 | E108 M114 K115 Y119 | E108-V110 PolarHBondContact O-N 2.9Å; V110-M114 HydrophobicContact CG1-CB 3.8Å; V110-K115 HydrophobicContact CG1-CG 4.16Å; V110-K115 WeakPolarHBondContact O-CE 3.17Å; V110-Y119 HydrophobicContact CB-CD2 4.34Å; V110-Y119 HydrophobicContact CB-CE2 3.82Å; V110-Y119 HydrophobicContact CG1-CD2 4.18Å; V110-Y119 HydrophobicContact CG1-CE2 4.15Å; V110-Y119 HydrophobicContact CG2-CD2 4.13Å; V110-Y119 HydrophobicContact CG2-CE2 3.59Å |
| 111 | P | 87.4 | Confident | 82.6 | Confident | 62 Ų | 62 | 120.4 Ų | 120.4 | 40% | 0.403 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 146.4 | 177.7 | -26.8 | 36 | 0 | 0 | 0 | 112 | P109 H113 M114 | P109-P111 VanDerWaalsContact O-CD 3.3Å; P109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-H113 VanDerWaalsContact C-N 3.27Å; P111-H113 WeakPolarHBondContact CB-CE1 3.47Å; P111-H113 WeakPolarHBondContact CB-ND1 3.46Å; P111-H113 PolarHBondContact O-N 3.38Å; P111-M114 PolarHBondContact O-N 3.32Å |
| 112 | D | 84.8 | Confident | 84.2 | Confident | 126 Ų | 126 | 120.6 Ų | 120.6 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -59.6 | -35.5 | -171.7 | -71.1 | -33.8 | 0 | 0 | 0 | 113.7 | M114 K115 | D112-M114 PolarHBondContact O-N 3.42Å; D112-K115 PolarHBondContact O-N 2.81Å; D112-K115 VanDerWaalsContact O-N 3.11Å; D112-K115 VanDerWaalsContact OD1-CE 3.29Å; D112-K115 WeakPolarHBondContact OD1-CE 3.24Å; D112-K115 IonicContact OD1-NZ 3.9Å; D112-K115 PolarHBondContact OD1-NZ 3.29Å |
| 113 | H | 85.2 | Confident | 85.6 | Confident | 167 Ų | 167 | 121.3 Ų | 121.3 | 77% | 0.773 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -65.4 | -16.8 | 176.5 | 67.1 | -89.3 | 0 | 0 | 0 | 113.8 | P111 | P111-H113 VanDerWaalsContact C-N 3.27Å; P111-H113 WeakPolarHBondContact CB-CE1 3.47Å; P111-H113 WeakPolarHBondContact CB-ND1 3.46Å; P111-H113 PolarHBondContact O-N 3.38Å |
| 114 | M | 84.6 | Confident | 87.1 | Confident | 114 Ų | 114 | 123 Ų | 123 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -100.4 | -1 | 177 | -58.2 | -164.6 | 80.5 | 0 | 0 | 113.2 | V110 P111 D112 D116 | V110-M114 HydrophobicContact CG1-CB 3.8Å; P111-M114 PolarHBondContact O-N 3.32Å; D112-M114 PolarHBondContact O-N 3.42Å; M114-D116 PolarHBondContact O-N 2.85Å |
| 115 | K | 91.3 | Very high | 88.5 | Confident | 64 Ų | 64 | 121.9 Ų | 121.9 | 28% | 0.278 | 57% | 0.573 | S | S | . | * | trans | -80.2 | 67.9 | 176.9 | -64.9 | -179.1 | -175.9 | 164 | 0 | 110.7 | V110 D112 Y119 W120 | V110-K115 HydrophobicContact CG1-CG 4.16Å; V110-K115 WeakPolarHBondContact O-CE 3.17Å; D112-K115 PolarHBondContact O-N 2.81Å; D112-K115 VanDerWaalsContact O-N 3.11Å; D112-K115 VanDerWaalsContact OD1-CE 3.29Å; D112-K115 WeakPolarHBondContact OD1-CE 3.24Å; D112-K115 IonicContact OD1-NZ 3.9Å; D112-K115 PolarHBondContact OD1-NZ 3.29Å; K115-Y119 HydrophobicContact CB-CD1 3.81Å; K115-Y119 HydrophobicContact CB-CE1 4.16Å; K115-Y119 HydrophobicContact CB-CG 4.42Å; K115-Y119 HydrophobicContact CD-CD1 4.49Å; K115-Y119 HydrophobicContact CD-CE1 4Å; K115-Y119 HydrophobicContact CG-CD1 3.83Å; K115-Y119 HydrophobicContact CG-CE1 3.73Å; K115-Y119 HydrophobicContact CG-CG 4.41Å; K115-W120 HydrophobicContact CB-CZ2 4.33Å; K115-W120 HydrophobicContact CD-CZ2 4.05Å; K115-W120 PolarHBondContact O-NE1 2.9Å | ||
| 116 | D | 92.3 | Very high | 89.7 | Confident | 80 Ų | 80 | 117 Ų | 117 | 43% | 0.428 | 56% | 0.557 | S | S | . | * | trans | -71.2 | 173.9 | 175.8 | 68.7 | -11.3 | 0 | 0 | 0 | 112.8 | M114 N118 Y119 W120 | M114-D116 PolarHBondContact O-N 2.85Å; D116-N118 PolarHBondContact O-N 2.73Å; D116-Y119 WeakPolarHBondContact O-CB 3.45Å; D116-Y119 PolarHBondContact O-N 3.34Å; D116-Y119 WeakPolarHBondContact OD1-CA 3.44Å; D116-Y119 WeakPolarHBondContact OD1-CB 3.3Å; D116-Y119 PolarHBondContact OD1-N 3.39Å; D116-W120 PolarHBondContact O-N 3.14Å | ||
| 117 | K | 92.7 | Very high | 90.8 | Very high | 164 Ų | 164 | 111.4 Ų | 111.4 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.5 | -40.3 | 175.9 | -177.5 | 179.9 | 174.3 | -175.9 | 0 | 111.9 | W120 E121 | K117-W120 PolarHBondContact O-N 3.14Å; K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.32Å; K117-E121 PolarHBondContact O-N 2.9Å; K117-E121 VanDerWaalsContact O-N 3.09Å |
| 118 | N | 92.8 | Very high | 91.6 | Very high | 81 Ų | 81 | 111.2 Ų | 111.2 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | -179.3 | -168 | -10.7 | 0 | 0 | 0 | 111.9 | D116 W120 E121 R122 | D116-N118 PolarHBondContact O-N 2.73Å; N118-W120 VanDerWaalsContact C-N 3.35Å; N118-W120 PolarHBondContact O-N 3.44Å; N118-E121 PolarHBondContact O-N 2.84Å; N118-R122 PolarHBondContact ND2-NH1 2.98Å; N118-R122 WeakPolarHBondContact O-CG 3.34Å; N118-R122 PolarHBondContact O-N 2.87Å; N118-R122 PolarHBondContact OD1-NH1 3.34Å |
| 119 | Y | 95.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 105.8 Ų | 105.8 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 171.2 | 169.2 | -94 | 0 | 0 | 0 | 111.6 | V110 K115 D116 R122 R123 | V110-Y119 HydrophobicContact CB-CD2 4.34Å; V110-Y119 HydrophobicContact CB-CE2 3.82Å; V110-Y119 HydrophobicContact CG1-CD2 4.18Å; V110-Y119 HydrophobicContact CG1-CE2 4.15Å; V110-Y119 HydrophobicContact CG2-CD2 4.13Å; V110-Y119 HydrophobicContact CG2-CE2 3.59Å; K115-Y119 HydrophobicContact CB-CD1 3.81Å; K115-Y119 HydrophobicContact CB-CE1 4.16Å; K115-Y119 HydrophobicContact CB-CG 4.42Å; K115-Y119 HydrophobicContact CD-CD1 4.49Å; K115-Y119 HydrophobicContact CD-CE1 4Å; K115-Y119 HydrophobicContact CG-CD1 3.83Å; K115-Y119 HydrophobicContact CG-CE1 3.73Å; K115-Y119 HydrophobicContact CG-CG 4.41Å; D116-Y119 WeakPolarHBondContact O-CB 3.45Å; D116-Y119 PolarHBondContact O-N 3.34Å; D116-Y119 WeakPolarHBondContact OD1-CA 3.44Å; D116-Y119 WeakPolarHBondContact OD1-CB 3.3Å; D116-Y119 PolarHBondContact OD1-N 3.39Å; Y119-R122 PolarHBondContact O-N 3.03Å; Y119-R123 WeakPolarHBondContact O-CB 3.38Å; Y119-R123 PolarHBondContact O-N 3.49Å |
| 120 | W | 94 | Very high | 93 | Very high | 146 Ų | 146 | 102 Ų | 102 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | -179.7 | -69.7 | 113.2 | 0 | 0 | 0 | 112.8 | K115 D116 K117 N118 R123 K124 | K115-W120 HydrophobicContact CB-CZ2 4.33Å; K115-W120 HydrophobicContact CD-CZ2 4.05Å; K115-W120 PolarHBondContact O-NE1 2.9Å; D116-W120 PolarHBondContact O-N 3.14Å; K117-W120 PolarHBondContact O-N 3.14Å; N118-W120 VanDerWaalsContact C-N 3.35Å; N118-W120 PolarHBondContact O-N 3.44Å; W120-R123 PolarHBondContact O-N 3.04Å; W120-K124 WeakPolarHBondContact O-CB 3.23Å; W120-K124 PolarHBondContact O-N 3.21Å |
| 121 | E | 95.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 174.3 | -71.8 | 176.9 | -172.4 | 0 | 0 | 111.9 | K117 N118 R123 K124 R125 | K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.32Å; K117-E121 PolarHBondContact O-N 2.9Å; K117-E121 VanDerWaalsContact O-N 3.09Å; N118-E121 PolarHBondContact O-N 2.84Å; E121-R123 VanDerWaalsContact C-N 3.34Å; E121-R123 PolarHBondContact O-N 3.28Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-R125 PolarHBondContact O-N 3.44Å |
| 122 | R | 95.7 | Very high | 94.1 | Very high | 121 Ų | 121 | 114.9 Ų | 114.9 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.9 | -70.6 | -172 | -57.3 | -95.2 | 4.3 | 111.8 | N118 Y119 R125 N126 | N118-R122 PolarHBondContact ND2-NH1 2.98Å; N118-R122 WeakPolarHBondContact O-CG 3.34Å; N118-R122 PolarHBondContact O-N 2.87Å; N118-R122 PolarHBondContact OD1-NH1 3.34Å; Y119-R122 PolarHBondContact O-N 3.03Å; R122-R125 PolarHBondContact O-N 3.49Å; R122-N126 PolarHBondContact O-N 3.31Å |
| 123 | R | 97.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 111.9 Ų | 111.9 | 39% | 0.389 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 179.4 | -166.5 | 72.5 | -174.2 | 94 | 3.9 | 111.4 | Y119 W120 E121 N126 N127 | Y119-R123 WeakPolarHBondContact O-CB 3.38Å; Y119-R123 PolarHBondContact O-N 3.49Å; W120-R123 PolarHBondContact O-N 3.04Å; E121-R123 VanDerWaalsContact C-N 3.34Å; E121-R123 PolarHBondContact O-N 3.28Å; R123-N126 PolarHBondContact NH1-OD1 2.88Å; R123-N126 PolarHBondContact O-N 2.93Å; R123-N127 PolarHBondContact NH1-OD1 2.95Å; R123-N127 WeakPolarHBondContact O-CB 3.37Å; R123-N127 VanDerWaalsContact O-CG 3.29Å; R123-N127 PolarHBondContact O-N 3.27Å; R123-N127 PolarHBondContact O-ND2 3.45Å |
| 124 | K | 97 | Very high | 95.3 | Very high | 159 Ų | 159 | 112.1 Ų | 112.1 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -49 | 174.5 | -174.1 | 179.3 | 177.6 | -177.7 | 0 | 111.2 | W120 E121 N126 N127 E128 | W120-K124 WeakPolarHBondContact O-CB 3.23Å; W120-K124 PolarHBondContact O-N 3.21Å; E121-K124 PolarHBondContact O-N 3.49Å; K124-N126 PolarHBondContact O-N 2.97Å; K124-N127 PolarHBondContact O-N 3.26Å; K124-E128 PolarHBondContact O-N 3.12Å |
| 125 | R | 96.9 | Very high | 95.8 | Very high | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 177.2 | -170.3 | -174.7 | -61.4 | 162.8 | 2.6 | 112.2 | E121 R122 N127 E128 S129 | E121-R125 PolarHBondContact O-N 3.44Å; R122-R125 PolarHBondContact O-N 3.49Å; R125-N127 PolarHBondContact O-N 3.05Å; R125-E128 WeakPolarHBondContact O-CB 3.44Å; R125-E128 PolarHBondContact O-N 3.05Å; R125-S129 WeakPolarHBondContact O-CB 3.19Å; R125-S129 PolarHBondContact O-N 2.97Å; R125-S129 PolarHBondContact O-OG 2.93Å; R125-S129 VanDerWaalsContact O-OG 3.1Å |
| 126 | N | 97.8 | Very high | 95.8 | Very high | 95 Ų | 95 | 111.1 Ų | 111.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.3 | 177.5 | -97.8 | 0 | 0 | 0 | 112.3 | R122 R123 K124 E128 S129 A130 | R122-N126 PolarHBondContact O-N 3.31Å; R123-N126 PolarHBondContact NH1-OD1 2.88Å; R123-N126 PolarHBondContact O-N 2.93Å; K124-N126 PolarHBondContact O-N 2.97Å; N126-E128 VanDerWaalsContact C-N 3.32Å; N126-E128 PolarHBondContact O-N 3.31Å; N126-S129 PolarHBondContact O-N 3.37Å; N126-A130 VanDerWaalsContact O-CB 3.22Å; N126-A130 WeakPolarHBondContact O-CB 3.3Å; N126-A130 PolarHBondContact O-N 3.27Å |
| 127 | N | 97.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 113.5 Ų | 113.5 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175 | -74.5 | -19.1 | 0 | 0 | 0 | 111.8 | R123 K124 R125 A130 R131 | R123-N127 PolarHBondContact NH1-OD1 2.95Å; R123-N127 WeakPolarHBondContact O-CB 3.37Å; R123-N127 VanDerWaalsContact O-CG 3.29Å; R123-N127 PolarHBondContact O-N 3.27Å; R123-N127 PolarHBondContact O-ND2 3.45Å; K124-N127 PolarHBondContact O-N 3.26Å; R125-N127 PolarHBondContact O-N 3.05Å; N127-A130 PolarHBondContact O-N 3.18Å; N127-R131 WeakPolarHBondContact O-CB 3.41Å; N127-R131 PolarHBondContact O-N 3.22Å |
| 128 | E | 97.6 | Very high | 95.9 | Very high | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -49.7 | 173.9 | -174.5 | -179 | 179.3 | 0 | 0 | 111.6 | K124 R125 N126 A130 R131 R132 | K124-E128 PolarHBondContact O-N 3.12Å; R125-E128 WeakPolarHBondContact O-CB 3.44Å; R125-E128 PolarHBondContact O-N 3.05Å; N126-E128 VanDerWaalsContact C-N 3.32Å; N126-E128 PolarHBondContact O-N 3.31Å; E128-A130 VanDerWaalsContact C-N 3.3Å; E128-A130 PolarHBondContact O-N 3.44Å; E128-R131 WeakPolarHBondContact O-CB 3.35Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-R132 PolarHBondContact O-N 2.89Å |
| 129 | S | 96.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 110.2 Ų | 110.2 | 47% | 0.469 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | R125 N126 R132 S133 | R125-S129 WeakPolarHBondContact O-CB 3.19Å; R125-S129 PolarHBondContact O-N 2.97Å; R125-S129 PolarHBondContact O-OG 2.93Å; R125-S129 VanDerWaalsContact O-OG 3.1Å; N126-S129 PolarHBondContact O-N 3.37Å; S129-R132 PolarHBondContact O-N 3.48Å; S129-S133 VanDerWaalsContact O-CB 3.29Å; S129-S133 WeakPolarHBondContact O-CB 3.5Å; S129-S133 PolarHBondContact O-N 3.09Å |
| 130 | A | 97.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 114.4 Ų | 114.4 | 30% | 0.298 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N126 N127 E128 S133 R134 | N126-A130 VanDerWaalsContact O-CB 3.22Å; N126-A130 WeakPolarHBondContact O-CB 3.3Å; N126-A130 PolarHBondContact O-N 3.27Å; N127-A130 PolarHBondContact O-N 3.18Å; E128-A130 VanDerWaalsContact C-N 3.3Å; E128-A130 PolarHBondContact O-N 3.44Å; A130-S133 PolarHBondContact O-N 2.61Å; A130-R134 WeakPolarHBondContact O-CB 3.3Å; A130-R134 VanDerWaalsContact O-CG 3.25Å; A130-R134 WeakPolarHBondContact O-CG 3.42Å; A130-R134 PolarHBondContact O-N 2.81Å |
| 131 | R | 97.2 | Very high | 94.3 | Very high | 182 Ų | 182 | 112.7 Ų | 112.7 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -49.5 | 172.2 | -175.8 | -176.9 | -72.9 | 131.7 | -5.7 | 110.5 | N127 E128 S133 R134 E135 | N127-R131 WeakPolarHBondContact O-CB 3.41Å; N127-R131 PolarHBondContact O-N 3.22Å; E128-R131 WeakPolarHBondContact O-CB 3.35Å; E128-R131 PolarHBondContact O-N 3.47Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 2.9Å; R131-R134 WeakPolarHBondContact O-CB 3.44Å; R131-R134 PolarHBondContact O-N 2.89Å; R131-E135 PolarHBondContact O-N 3.36Å |
| 132 | R | 94.9 | Very high | 93.8 | Very high | 203 Ų | 203 | 110.8 Ų | 110.8 | 77% | 0.766 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 178.5 | -170.8 | 173.5 | -174.9 | 140.1 | 1.5 | 112.6 | E128 S129 E135 S136 | E128-R132 PolarHBondContact O-N 2.89Å; S129-R132 PolarHBondContact O-N 3.48Å; R132-E135 PolarHBondContact O-N 3.35Å; R132-S136 WeakPolarHBondContact O-CB 3.32Å; R132-S136 PolarHBondContact O-N 2.93Å |
| 133 | S | 97.5 | Very high | 93.1 | Very high | 63 Ų | 63 | 106.6 Ų | 106.6 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | S129 A130 R131 R137 | S129-S133 VanDerWaalsContact O-CB 3.29Å; S129-S133 WeakPolarHBondContact O-CB 3.5Å; S129-S133 PolarHBondContact O-N 3.09Å; A130-S133 PolarHBondContact O-N 2.61Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 2.9Å; S133-R137 PolarHBondContact O-N 3.48Å; S133-R137 VanDerWaalsContact O-N 3.1Å |
| 134 | R | 98.1 | Very high | 92.5 | Very high | 171 Ų | 171 | 106.1 Ų | 106.1 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 173 | -73.5 | 171.3 | -179.9 | -174.7 | -0.6 | 111.3 | A130 R131 R137 R138 | A130-R134 WeakPolarHBondContact O-CB 3.3Å; A130-R134 VanDerWaalsContact O-CG 3.25Å; A130-R134 WeakPolarHBondContact O-CG 3.42Å; A130-R134 PolarHBondContact O-N 2.81Å; R131-R134 WeakPolarHBondContact O-CB 3.44Å; R131-R134 PolarHBondContact O-N 2.89Å; R134-R137 PolarHBondContact O-N 2.92Å; R134-R138 PolarHBondContact O-N 3.44Å |
| 135 | E | 96.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 101.1 Ų | 101.1 | 36% | 0.36 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -50 | 178.4 | -159.5 | 58.6 | -119.3 | 0 | 0 | 111.2 | R131 R132 R137 R138 M139 | R131-E135 PolarHBondContact O-N 3.36Å; R132-E135 PolarHBondContact O-N 3.35Å; E135-R137 VanDerWaalsContact C-N 3.25Å; E135-R137 PolarHBondContact O-N 2.94Å; E135-R138 PolarHBondContact O-N 3.16Å; E135-R138 IonicContact OE1-NH1 2.65Å; E135-R138 PolarHBondContact OE1-NH1 3.36Å; E135-R138 IonicContact OE2-CZ 2.68Å; E135-R138 IonicContact OE2-NH1 2.9Å; E135-R138 PolarHBondContact OE2-NH1 3.14Å; E135-M139 HydrophobicContact CG-CG 4.31Å; E135-M139 WeakPolarHBondContact O-CG 3.17Å; E135-M139 PolarHBondContact O-N 3.34Å |
| 136 | S | 91.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 57% | 0.566 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57 | -38.4 | 177.9 | 174 | 0 | 0 | 0 | 0 | 112.8 | R132 K140 | R132-S136 WeakPolarHBondContact O-CB 3.32Å; R132-S136 PolarHBondContact O-N 2.93Å; S136-K140 WeakPolarHBondContact O-CB 3.43Å; S136-K140 PolarHBondContact O-N 3.41Å; S136-K140 VanDerWaalsContact O-N 3.14Å |
| 137 | R | 94.4 | Very high | 90.4 | Very high | 130 Ų | 130 | 96.4 Ų | 96.4 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 173.7 | -173.7 | -171.9 | -60.1 | 92.5 | 7.2 | 111.3 | S133 R134 E135 M139 K140 E141 | S133-R137 PolarHBondContact O-N 3.48Å; S133-R137 VanDerWaalsContact O-N 3.1Å; R134-R137 PolarHBondContact O-N 2.92Å; E135-R137 VanDerWaalsContact C-N 3.25Å; E135-R137 PolarHBondContact O-N 2.94Å; R137-M139 VanDerWaalsContact C-N 3.35Å; R137-M139 PolarHBondContact O-N 3.2Å; R137-K140 WeakPolarHBondContact O-CB 3.23Å; R137-K140 PolarHBondContact O-N 3.45Å; R137-K140 VanDerWaalsContact O-N 3.16Å; R137-E141 WeakPolarHBondContact CD-OE1 3.45Å; R137-E141 HydrophobicContact CG-CG 4.5Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.45Å; R137-E141 WeakPolarHBondContact O-CG 3.15Å; R137-E141 PolarHBondContact O-N 2.88Å |
| 138 | R | 92.5 | Very high | 89.9 | Confident | 132 Ų | 132 | 96 Ų | 96 | 50% | 0.498 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | -179.8 | -170.6 | -172.5 | -60.9 | 122 | -3.3 | 111.4 | R134 E135 K140 E141 E142 | R134-R138 PolarHBondContact O-N 3.44Å; E135-R138 PolarHBondContact O-N 3.16Å; E135-R138 IonicContact OE1-NH1 2.65Å; E135-R138 PolarHBondContact OE1-NH1 3.36Å; E135-R138 IonicContact OE2-CZ 2.68Å; E135-R138 IonicContact OE2-NH1 2.9Å; E135-R138 PolarHBondContact OE2-NH1 3.14Å; R138-K140 VanDerWaalsContact C-N 3.28Å; R138-K140 PolarHBondContact O-N 2.83Å; R138-E141 WeakPolarHBondContact O-CB 3.35Å; R138-E141 PolarHBondContact O-N 2.98Å; R138-E141 VanDerWaalsContact O-N 3.15Å; R138-E142 PolarHBondContact O-N 2.95Å |
| 139 | M | 83 | Confident | 89.4 | Confident | 43 Ų | 43 | 94.3 Ų | 94.3 | 21% | 0.212 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 177.6 | -66.4 | -40.6 | -62.2 | 0 | 0 | 112.2 | Y33 E135 R137 E142 Q143 | Y33-M139 HydrophobicContact CE2-CB 3.87Å; Y33-M139 HydrophobicContact CE2-CE 3.52Å; Y33-M139 HydrophobicContact CE2-CG 4.46Å; Y33-M139 WeakPolarHBondContact OH-CB 3.29Å; Y33-M139 WeakPolarHBondContact OH-CE 3.38Å; Y33-M139 WeakPolarHBondContact OH-CG 3.47Å; E135-M139 HydrophobicContact CG-CG 4.31Å; E135-M139 WeakPolarHBondContact O-CG 3.17Å; E135-M139 PolarHBondContact O-N 3.34Å; R137-M139 VanDerWaalsContact C-N 3.35Å; R137-M139 PolarHBondContact O-N 3.2Å; M139-E142 WeakPolarHBondContact CE-OE2 3.47Å; M139-E142 PolarHBondContact O-N 2.99Å; M139-Q143 WeakPolarHBondContact O-CB 2.8Å; M139-Q143 PolarHBondContact O-N 3.43Å |
| 140 | K | 80.9 | Confident | 88.9 | Confident | 130 Ų | 130 | 95.8 Ų | 95.8 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 174.5 | -174.1 | 173.7 | -178 | 171.4 | 0 | 111.9 | S136 R137 R138 Q143 I144 | S136-K140 WeakPolarHBondContact O-CB 3.43Å; S136-K140 PolarHBondContact O-N 3.41Å; S136-K140 VanDerWaalsContact O-N 3.14Å; R137-K140 WeakPolarHBondContact O-CB 3.23Å; R137-K140 PolarHBondContact O-N 3.45Å; R137-K140 VanDerWaalsContact O-N 3.16Å; R138-K140 VanDerWaalsContact C-N 3.28Å; R138-K140 PolarHBondContact O-N 2.83Å; K140-Q143 PolarHBondContact O-N 2.91Å; K140-I144 HydrophobicContact CG-CD1 4.12Å; K140-I144 WeakPolarHBondContact O-CD1 3.32Å; K140-I144 VanDerWaalsContact O-CG1 3.23Å; K140-I144 WeakPolarHBondContact O-CG1 3Å; K140-I144 PolarHBondContact O-N 3.35Å |
| 141 | E | 85.6 | Confident | 88.4 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.6 | -70.9 | 165.1 | -176.9 | 0 | 0 | 111.4 | R137 R138 I144 A145 | R137-E141 WeakPolarHBondContact CD-OE1 3.45Å; R137-E141 HydrophobicContact CG-CG 4.5Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.45Å; R137-E141 WeakPolarHBondContact O-CG 3.15Å; R137-E141 PolarHBondContact O-N 2.88Å; R138-E141 WeakPolarHBondContact O-CB 3.35Å; R138-E141 PolarHBondContact O-N 2.98Å; R138-E141 VanDerWaalsContact O-N 3.15Å; E141-I144 PolarHBondContact O-N 2.94Å; E141-A145 PolarHBondContact O-N 2.86Å |
| 142 | E | 85 | Confident | 88.1 | Confident | 59 Ų | 59 | 94 Ų | 94 | 28% | 0.276 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.1 | -176 | 174.2 | -157 | 0 | 0 | 112.1 | Y36 R138 M139 I144 A145 L146 | Y36-E142 HydrophobicContact CE1-CG 4.37Å; Y36-E142 WeakPolarHBondContact CE1-OE1 3.35Å; Y36-E142 PolarHBondContact OH-OE1 3.14Å; R138-E142 PolarHBondContact O-N 2.95Å; M139-E142 WeakPolarHBondContact CE-OE2 3.47Å; M139-E142 PolarHBondContact O-N 2.99Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 3.15Å; E142-A145 WeakPolarHBondContact O-CB 3.46Å; E142-A145 PolarHBondContact O-N 2.89Å; E142-L146 WeakPolarHBondContact O-CG 3.5Å; E142-L146 PolarHBondContact O-N 2.68Å |
| 143 | Q | 80.9 | Confident | 87.9 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 15% | 0.154 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.7 | -179.1 | 169.3 | 23 | 0 | 0 | 112.2 | D29 Y33 M139 K140 L146 R147 | D29-Q143 VanDerWaalsContact CA-NE2 3.25Å; D29-Q143 PolarHBondContact O-NE2 3.1Å; D29-Q143 PolarHBondContact OD1-NE2 3.22Å; Y33-Q143 HydrophobicContact CD2-CB 4.11Å; Y33-Q143 HydrophobicContact CD2-CG 4.46Å; M139-Q143 WeakPolarHBondContact O-CB 2.8Å; M139-Q143 PolarHBondContact O-N 3.43Å; K140-Q143 PolarHBondContact O-N 2.91Å; Q143-L146 PolarHBondContact O-N 3.39Å; Q143-R147 WeakPolarHBondContact O-CB 3.13Å; Q143-R147 PolarHBondContact O-N 2.87Å |
| 144 | I | 84 | Confident | 87.5 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176 | -69.2 | 164.4 | 0 | 0 | 0 | 110 | K140 E141 E142 L146 R147 V148 | K140-I144 HydrophobicContact CG-CD1 4.12Å; K140-I144 WeakPolarHBondContact O-CD1 3.32Å; K140-I144 VanDerWaalsContact O-CG1 3.23Å; K140-I144 WeakPolarHBondContact O-CG1 3Å; K140-I144 PolarHBondContact O-N 3.35Å; E141-I144 PolarHBondContact O-N 2.94Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 3.15Å; I144-L146 PolarHBondContact O-N 3.45Å; I144-R147 PolarHBondContact O-N 3.04Å; I144-V148 HydrophobicContact CG2-CG2 4.45Å; I144-V148 WeakPolarHBondContact O-CG2 3.48Å; I144-V148 PolarHBondContact O-N 2.78Å |
| 145 | A | 84.7 | Confident | 87.2 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E141 E142 R147 V148 V149 | E141-A145 PolarHBondContact O-N 2.86Å; E142-A145 WeakPolarHBondContact O-CB 3.46Å; E142-A145 PolarHBondContact O-N 2.89Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 2.98Å; A145-V148 PolarHBondContact O-N 2.85Å; A145-V149 WeakPolarHBondContact O-CG2 3.48Å; A145-V149 PolarHBondContact O-N 3.11Å; A145-V149 VanDerWaalsContact O-N 3.09Å |
| 146 | L | 80.4 | Confident | 87.1 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.4 | -71.4 | 174.1 | 0 | 0 | 0 | 112.1 | Y36 E142 Q143 I144 V148 V149 Y150 | Y36-L146 HydrophobicContact CD1-CD1 3.93Å; Y36-L146 HydrophobicContact CD2-CD1 3.78Å; Y36-L146 HydrophobicContact CE1-CD1 4.25Å; Y36-L146 HydrophobicContact CE2-CD1 4.13Å; Y36-L146 HydrophobicContact CG-CD1 3.66Å; E142-L146 WeakPolarHBondContact O-CG 3.5Å; E142-L146 PolarHBondContact O-N 2.68Å; Q143-L146 PolarHBondContact O-N 3.39Å; I144-L146 PolarHBondContact O-N 3.45Å; L146-V148 VanDerWaalsContact C-N 3.33Å; L146-V148 PolarHBondContact O-N 3.06Å; L146-V149 PolarHBondContact O-N 2.9Å; L146-Y150 PolarHBondContact O-N 3.33Å |
| 147 | R | 83.2 | Confident | 87.3 | Confident | 93 Ų | 93 | 88.4 Ų | 88.4 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.5 | -179.2 | 57.2 | 174.2 | 177.1 | 1.9 | 111.8 | Q143 I144 A145 Y150 L151 | Q143-R147 WeakPolarHBondContact O-CB 3.13Å; Q143-R147 PolarHBondContact O-N 2.87Å; I144-R147 PolarHBondContact O-N 3.04Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 2.98Å; R147-Y150 PolarHBondContact O-N 3.4Å; R147-L151 HydrophobicContact CG-CD1 4.02Å; R147-L151 HydrophobicContact CG-CG 4.46Å; R147-L151 WeakPolarHBondContact O-CB 3.35Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.49Å; R147-L151 PolarHBondContact O-N 3.08Å |
| 148 | V | 86.9 | Confident | 87.4 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | I144 A145 L146 Y150 L151 E152 | I144-V148 HydrophobicContact CG2-CG2 4.45Å; I144-V148 WeakPolarHBondContact O-CG2 3.48Å; I144-V148 PolarHBondContact O-N 2.78Å; A145-V148 PolarHBondContact O-N 2.85Å; L146-V148 VanDerWaalsContact C-N 3.33Å; L146-V148 PolarHBondContact O-N 3.06Å; V148-Y150 VanDerWaalsContact C-N 3.35Å; V148-Y150 PolarHBondContact O-N 2.83Å; V148-L151 PolarHBondContact O-N 3.1Å; V148-E152 HydrophobicContact CG1-CG 4.34Å; V148-E152 WeakPolarHBondContact CG1-OE1 3.42Å; V148-E152 WeakPolarHBondContact O-CB 3.48Å; V148-E152 WeakPolarHBondContact O-CG 3.34Å; V148-E152 PolarHBondContact O-N 3.38Å |
| 149 | V | 86.7 | Confident | 87.5 | Confident | 86 Ų | 86 | 88.1 Ų | 88.1 | 52% | 0.521 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 179 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | A145 L146 E152 Q153 | A145-V149 WeakPolarHBondContact O-CG2 3.48Å; A145-V149 PolarHBondContact O-N 3.11Å; A145-V149 VanDerWaalsContact O-N 3.09Å; L146-V149 PolarHBondContact O-N 2.9Å; V149-E152 PolarHBondContact O-N 3.49Å; V149-Q153 PolarHBondContact O-N 3.29Å |
| 150 | Y | 86.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 89.5 Ų | 89.5 | 38% | 0.384 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 176.9 | 173.1 | -93.4 | 0 | 0 | 0 | 112 | L146 R147 V148 E152 Q153 E154 | L146-Y150 PolarHBondContact O-N 3.33Å; R147-Y150 PolarHBondContact O-N 3.4Å; V148-Y150 VanDerWaalsContact C-N 3.35Å; V148-Y150 PolarHBondContact O-N 2.83Å; Y150-E152 VanDerWaalsContact C-N 3.32Å; Y150-E152 PolarHBondContact O-N 3.32Å; Y150-Q153 PolarHBondContact O-N 2.81Å; Y150-E154 WeakPolarHBondContact CE1-OE2 3.48Å; Y150-E154 WeakPolarHBondContact O-CB 3.28Å; Y150-E154 PolarHBondContact O-N 3.47Å |
| 151 | L | 87.2 | Confident | 88.9 | Confident | 58 Ų | 58 | 88 Ų | 88 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 180 | -73.1 | 174.2 | 0 | 0 | 0 | 111.9 | R147 V148 N155 | R147-L151 HydrophobicContact CG-CD1 4.02Å; R147-L151 HydrophobicContact CG-CG 4.46Å; R147-L151 WeakPolarHBondContact O-CB 3.35Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.49Å; R147-L151 PolarHBondContact O-N 3.08Å; V148-L151 PolarHBondContact O-N 3.1Å; L151-N155 WeakPolarHBondContact O-CB 3.31Å; L151-N155 PolarHBondContact O-N 2.85Å |
| 152 | E | 90.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 85.9 Ų | 85.9 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 174.1 | -74.7 | 175.4 | 170.9 | 0 | 0 | 111.6 | V148 V149 Y150 N155 L156 | V148-E152 HydrophobicContact CG1-CG 4.34Å; V148-E152 WeakPolarHBondContact CG1-OE1 3.42Å; V148-E152 WeakPolarHBondContact O-CB 3.48Å; V148-E152 WeakPolarHBondContact O-CG 3.34Å; V148-E152 PolarHBondContact O-N 3.38Å; V149-E152 PolarHBondContact O-N 3.49Å; Y150-E152 VanDerWaalsContact C-N 3.32Å; Y150-E152 PolarHBondContact O-N 3.32Å; E152-N155 PolarHBondContact O-N 3.4Å; E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 3.36Å |
| 153 | Q | 90 | Very high | 90 | Very high | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 176 | -175.2 | -179.6 | 17.9 | 0 | 0 | 111.9 | V149 Y150 N155 L156 Q157 | V149-Q153 PolarHBondContact O-N 3.29Å; Y150-Q153 PolarHBondContact O-N 2.81Å; Q153-N155 VanDerWaalsContact C-N 3.33Å; Q153-N155 PolarHBondContact O-N 2.79Å; Q153-L156 PolarHBondContact O-N 3.46Å; Q153-Q157 WeakPolarHBondContact O-CG 3.25Å; Q153-Q157 PolarHBondContact O-N 3.19Å |
| 154 | E | 89.4 | Confident | 90.8 | Very high | 74 Ų | 74 | 89.8 Ų | 89.8 | 35% | 0.346 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.9 | -176.1 | 179 | -157.5 | 0 | 0 | 110.9 | Y150 L156 Q157 L158 | Y150-E154 WeakPolarHBondContact CE1-OE2 3.48Å; Y150-E154 WeakPolarHBondContact O-CB 3.28Å; Y150-E154 PolarHBondContact O-N 3.47Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.38Å; E154-Q157 PolarHBondContact O-N 3.25Å; E154-L158 HydrophobicContact CG-CD1 4.19Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.78Å |
| 155 | N | 93.2 | Very high | 91.5 | Very high | 76 Ų | 76 | 90.8 Ų | 90.8 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 177.2 | -163.8 | -96.6 | 0 | 0 | 0 | 112.1 | L151 E152 Q153 R159 | L151-N155 WeakPolarHBondContact O-CB 3.31Å; L151-N155 PolarHBondContact O-N 2.85Å; E152-N155 PolarHBondContact O-N 3.4Å; Q153-N155 VanDerWaalsContact C-N 3.33Å; Q153-N155 PolarHBondContact O-N 2.79Å; N155-R159 WeakPolarHBondContact O-CB 3.48Å; N155-R159 VanDerWaalsContact O-CG 3.24Å; N155-R159 WeakPolarHBondContact O-CG 3.25Å; N155-R159 PolarHBondContact O-N 3.13Å; N155-R159 PolarHBondContact OD1-NE 3.29Å; N155-R159 PolarHBondContact OD1-NH2 3.44Å |
| 156 | L | 93.5 | Very high | 92.1 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 176.4 | -179.9 | 62.3 | 0 | 0 | 0 | 112 | E152 Q153 E154 R159 T160 | E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 3.36Å; Q153-L156 PolarHBondContact O-N 3.46Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.38Å; L156-R159 PolarHBondContact O-N 3.38Å; L156-T160 PolarHBondContact O-N 3.37Å; L156-T160 PolarHBondContact O-OG1 2.95Å |
| 157 | Q | 95.1 | Very high | 92.9 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 176.1 | -72.7 | 176.3 | 8.6 | 0 | 0 | 110.9 | Q153 E154 R159 T160 E161 | Q153-Q157 WeakPolarHBondContact O-CG 3.25Å; Q153-Q157 PolarHBondContact O-N 3.19Å; E154-Q157 PolarHBondContact O-N 3.25Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; Q157-R159 PolarHBondContact O-N 2.96Å; Q157-T160 WeakPolarHBondContact O-CA 3.46Å; Q157-T160 WeakPolarHBondContact O-CB 3.43Å; Q157-T160 PolarHBondContact O-N 3.18Å; Q157-E161 PolarHBondContact O-N 2.93Å |
| 158 | L | 95.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 178 | -69.1 | 172.3 | 0 | 0 | 0 | 112.4 | E154 T160 E161 V162 | E154-L158 HydrophobicContact CG-CD1 4.19Å; E154-L158 WeakPolarHBondContact O-CG 3.41Å; E154-L158 PolarHBondContact O-N 2.78Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.79Å; L158-E161 PolarHBondContact O-N 3.05Å; L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 VanDerWaalsContact O-CG2 3.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.39Å; L158-V162 PolarHBondContact O-N 2.87Å |
| 159 | R | 95.4 | Very high | 94 | Very high | 168 Ų | 168 | 98.8 Ų | 98.8 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -38.6 | 174.6 | -76.7 | 177.2 | -170.3 | -81.9 | -4.4 | 112.2 | N155 L156 Q157 S163 | N155-R159 WeakPolarHBondContact O-CB 3.48Å; N155-R159 VanDerWaalsContact O-CG 3.24Å; N155-R159 WeakPolarHBondContact O-CG 3.25Å; N155-R159 PolarHBondContact O-N 3.13Å; N155-R159 PolarHBondContact OD1-NE 3.29Å; N155-R159 PolarHBondContact OD1-NH2 3.44Å; L156-R159 PolarHBondContact O-N 3.38Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; Q157-R159 PolarHBondContact O-N 2.96Å; R159-S163 WeakPolarHBondContact O-CB 3.4Å; R159-S163 PolarHBondContact O-N 2.93Å |
| 160 | T | 96.4 | Very high | 94.5 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 44% | 0.442 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | L156 Q157 L158 V162 S163 M164 | L156-T160 PolarHBondContact O-N 3.37Å; L156-T160 PolarHBondContact O-OG1 2.95Å; Q157-T160 WeakPolarHBondContact O-CA 3.46Å; Q157-T160 WeakPolarHBondContact O-CB 3.43Å; Q157-T160 PolarHBondContact O-N 3.18Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.79Å; T160-V162 PolarHBondContact O-N 3.31Å; T160-S163 WeakPolarHBondContact O-CB 3.41Å; T160-S163 PolarHBondContact O-N 3.21Å; T160-M164 HydrophobicContact CG2-CE 4.45Å; T160-M164 WeakPolarHBondContact O-CG 3.22Å; T160-M164 PolarHBondContact O-N 2.93Å |
| 161 | E | 97.4 | Very high | 95 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.9 | -70.6 | 177.6 | -167 | 0 | 0 | 112.3 | Q157 L158 S163 M164 L165 | Q157-E161 PolarHBondContact O-N 2.93Å; L158-E161 PolarHBondContact O-N 3.05Å; E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 3.37Å; E161-M164 HydrophobicContact CG-CE 4.23Å; E161-M164 PolarHBondContact O-N 2.98Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.46Å |
| 162 | V | 97.5 | Very high | 95.4 | Very high | 66 Ų | 66 | 102 Ų | 102 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 176.3 | 169 | 0 | 0 | 0 | 0 | 111.2 | L158 T160 R166 | L158-V162 WeakPolarHBondContact O-CB 3.36Å; L158-V162 VanDerWaalsContact O-CG2 3.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.39Å; L158-V162 PolarHBondContact O-N 2.87Å; T160-V162 PolarHBondContact O-N 3.31Å; V162-R166 HydrophobicContact CG1-CG 4.47Å; V162-R166 WeakPolarHBondContact O-CB 3.26Å; V162-R166 WeakPolarHBondContact O-CG 3.36Å; V162-R166 PolarHBondContact O-N 3.43Å |
| 163 | S | 96.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 103.8 Ų | 103.8 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | R159 T160 E161 L165 R166 N167 | R159-S163 WeakPolarHBondContact O-CB 3.4Å; R159-S163 PolarHBondContact O-N 2.93Å; T160-S163 WeakPolarHBondContact O-CB 3.41Å; T160-S163 PolarHBondContact O-N 3.21Å; E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 3.37Å; S163-L165 PolarHBondContact O-N 3.37Å; S163-R166 PolarHBondContact O-N 3.46Å; S163-N167 PolarHBondContact O-N 2.89Å; S163-N167 PolarHBondContact O-ND2 2.77Å; S163-N167 VanDerWaalsContact O-ND2 3.14Å |
| 164 | M | 96.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 103.6 Ų | 103.6 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 177.3 | -70.1 | -170.3 | -61.5 | 0 | 0 | 112 | T160 E161 R166 N167 E168 | T160-M164 HydrophobicContact CG2-CE 4.45Å; T160-M164 WeakPolarHBondContact O-CG 3.22Å; T160-M164 PolarHBondContact O-N 2.93Å; E161-M164 HydrophobicContact CG-CE 4.23Å; E161-M164 PolarHBondContact O-N 2.98Å; M164-R166 PolarHBondContact O-N 3.09Å; M164-N167 PolarHBondContact O-N 3.34Å; M164-E168 PolarHBondContact O-N 3Å |
| 165 | L | 97.7 | Very high | 96.1 | Very high | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 178.2 | -70.2 | 173.6 | 0 | 0 | 0 | 112 | E161 S163 E168 I169 | E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.46Å; S163-L165 PolarHBondContact O-N 3.37Å; L165-E168 PolarHBondContact O-N 3.32Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 3.49Å |
| 166 | R | 97.7 | Very high | 96.1 | Very high | 177 Ų | 177 | 106.7 Ų | 106.7 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 174.5 | -77.4 | 175.1 | 176.1 | 177.1 | -0.2 | 112 | V162 S163 M164 I169 E170 | V162-R166 HydrophobicContact CG1-CG 4.47Å; V162-R166 WeakPolarHBondContact O-CB 3.26Å; V162-R166 WeakPolarHBondContact O-CG 3.36Å; V162-R166 PolarHBondContact O-N 3.43Å; S163-R166 PolarHBondContact O-N 3.46Å; M164-R166 PolarHBondContact O-N 3.09Å; R166-I169 PolarHBondContact O-N 3.47Å; R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 3.1Å |
| 167 | N | 97.1 | Very high | 96.1 | Very high | 106 Ų | 106 | 108.2 Ų | 108.2 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 175.8 | -74.8 | -39.8 | 0 | 0 | 0 | 112.1 | S163 M164 E170 K171 | S163-N167 PolarHBondContact O-N 2.89Å; S163-N167 PolarHBondContact O-ND2 2.77Å; S163-N167 VanDerWaalsContact O-ND2 3.14Å; M164-N167 PolarHBondContact O-N 3.34Å; N167-E170 PolarHBondContact O-N 3.14Å; N167-K171 WeakPolarHBondContact O-CB 3.16Å; N167-K171 PolarHBondContact O-N 3.38Å |
| 168 | E | 96.6 | Very high | 96 | Very high | 87 Ų | 87 | 107.6 Ų | 107.6 | 41% | 0.407 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.7 | -172.4 | 60.5 | -164.1 | 0 | 0 | 111.8 | M164 L165 E170 K171 L172 | M164-E168 PolarHBondContact O-N 3Å; L165-E168 PolarHBondContact O-N 3.32Å; E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.43Å; E168-K171 PolarHBondContact O-N 2.99Å; E168-L172 HydrophobicContact CG-CD1 4.34Å; E168-L172 WeakPolarHBondContact O-CG 3.49Å; E168-L172 PolarHBondContact O-N 3.03Å |
| 169 | I | 97.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 107.4 Ų | 107.4 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 173.3 | -71 | 166.1 | 0 | 0 | 0 | 110.6 | L165 R166 L172 R173 | L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 3.49Å; R166-I169 PolarHBondContact O-N 3.47Å; I169-L172 PolarHBondContact O-N 2.76Å; I169-R173 HydrophobicContact CG2-CG 4.49Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.13Å; I169-R173 PolarHBondContact O-N 3.47Å |
| 170 | E | 97 | Very high | 95 | Very high | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.9 | -167.2 | 57.4 | -154 | 0 | 0 | 111.9 | R166 N167 E168 L172 R173 M174 | R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 3.1Å; N167-E170 PolarHBondContact O-N 3.14Å; E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.43Å; E170-L172 PolarHBondContact O-N 3.25Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 3.39Å; E170-R173 IonicContact OE2-NH1 3.64Å; E170-M174 PolarHBondContact O-N 3.33Å |
| 171 | K | 96.2 | Very high | 93.5 | Very high | 115 Ų | 115 | 111.9 Ų | 111.9 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.3 | -177.5 | -174.8 | 173.3 | -166.1 | 0 | 112 | N167 E168 M174 I175 | N167-K171 WeakPolarHBondContact O-CB 3.16Å; N167-K171 PolarHBondContact O-N 3.38Å; E168-K171 PolarHBondContact O-N 2.99Å; K171-M174 PolarHBondContact O-N 3.12Å; K171-I175 HydrophobicContact CG-CD1 4.3Å; K171-I175 WeakPolarHBondContact O-CG1 3.4Å; K171-I175 PolarHBondContact O-N 3.3Å |
| 172 | L | 95.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 112.6 Ų | 112.6 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -41.5 | 177.2 | -70.1 | 172.8 | 0 | 0 | 0 | 111.8 | E168 I169 E170 M174 I175 L176 | E168-L172 HydrophobicContact CG-CD1 4.34Å; E168-L172 WeakPolarHBondContact O-CG 3.49Å; E168-L172 PolarHBondContact O-N 3.03Å; I169-L172 PolarHBondContact O-N 2.76Å; E170-L172 PolarHBondContact O-N 3.25Å; L172-M174 VanDerWaalsContact C-N 3.3Å; L172-M174 PolarHBondContact O-N 2.72Å; L172-I175 PolarHBondContact O-N 3.18Å; L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 2.93Å |
| 173 | R | 95.6 | Very high | 93.1 | Very high | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59 | -42 | 173.4 | -75.5 | 172.3 | 177 | 173.7 | -2 | 111.8 | I169 E170 L176 Y177 | I169-R173 HydrophobicContact CG2-CG 4.49Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.13Å; I169-R173 PolarHBondContact O-N 3.47Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 3.39Å; E170-R173 IonicContact OE2-NH1 3.64Å; R173-L176 PolarHBondContact O-N 3.11Å; R173-Y177 WeakPolarHBondContact O-CB 3.3Å; R173-Y177 PolarHBondContact O-N 3.09Å |
| 174 | M | 94.8 | Very high | 92.8 | Very high | 109 Ų | 109 | 118.1 Ų | 118.1 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 178.2 | -158 | -169.5 | 77.7 | 0 | 0 | 111.8 | E170 K171 L172 Y177 N178 | E170-M174 PolarHBondContact O-N 3.33Å; K171-M174 PolarHBondContact O-N 3.12Å; L172-M174 VanDerWaalsContact C-N 3.3Å; L172-M174 PolarHBondContact O-N 2.72Å; M174-Y177 PolarHBondContact O-N 3.34Å; M174-N178 WeakPolarHBondContact O-CB 3.48Å; M174-N178 PolarHBondContact O-N 3.25Å; M174-N178 PolarHBondContact O-ND2 3.27Å |
| 175 | I | 95.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 118.4 Ų | 118.4 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -45.5 | 175.6 | -67.7 | 166 | 0 | 0 | 0 | 110.8 | K171 L172 N178 A179 | K171-I175 HydrophobicContact CG-CD1 4.3Å; K171-I175 WeakPolarHBondContact O-CG1 3.4Å; K171-I175 PolarHBondContact O-N 3.3Å; L172-I175 PolarHBondContact O-N 3.18Å; I175-N178 PolarHBondContact O-N 2.79Å; I175-A179 WeakPolarHBondContact O-CB 3.28Å; I175-A179 PolarHBondContact O-N 2.88Å |
| 176 | L | 93.4 | Very high | 92.3 | Very high | 125 Ų | 125 | 118.6 Ų | 118.6 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -39.3 | 178.6 | -70.5 | 176.8 | 0 | 0 | 0 | 112.5 | L172 R173 A179 H180 | L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 2.93Å; R173-L176 PolarHBondContact O-N 3.11Å; L176-A179 PolarHBondContact O-N 2.65Å; L176-H180 PolarHBondContact O-N 3.1Å |
| 177 | Y | 93.6 | Very high | 91.9 | Very high | 144 Ų | 144 | 114.7 Ų | 114.7 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.7 | -46.1 | 175.9 | 178.5 | -95.9 | 0 | 0 | 0 | 111.7 | R173 M174 A179 H180 H181 | R173-Y177 WeakPolarHBondContact O-CB 3.3Å; R173-Y177 PolarHBondContact O-N 3.09Å; M174-Y177 PolarHBondContact O-N 3.34Å; Y177-A179 VanDerWaalsContact C-N 3.3Å; Y177-A179 PolarHBondContact O-N 3.32Å; Y177-H180 PolarHBondContact O-N 3.18Å; Y177-H181 AromaticContact CD2-CE1 3.88Å; Y177-H181 AromaticContact CD2-ND1 3.88Å; Y177-H181 AromaticContact CE2-CE1 3.62Å; Y177-H181 AromaticContact CE2-ND1 3.79Å; Y177-H181 PolarHBondContact O-N 2.92Å; Y177-H181 PolarHBondContact O-ND1 3.2Å |
| 178 | N | 91.9 | Very high | 91.6 | Very high | 93 Ų | 93 | 115.3 Ų | 115.3 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.7 | -19.5 | 178.8 | -66.7 | -22 | 0 | 0 | 0 | 113.8 | M174 I175 | M174-N178 WeakPolarHBondContact O-CB 3.48Å; M174-N178 PolarHBondContact O-N 3.25Å; M174-N178 PolarHBondContact O-ND2 3.27Å; I175-N178 PolarHBondContact O-N 2.79Å |
| 179 | A | 91.1 | Very high | 91.2 | Very high | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83.4 | -19.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I175 L176 Y177 | I175-A179 WeakPolarHBondContact O-CB 3.28Å; I175-A179 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 2.65Å; Y177-A179 VanDerWaalsContact C-N 3.3Å; Y177-A179 PolarHBondContact O-N 3.32Å |
| 180 | H | 79.9 | Confident | 90.7 | Very high | 161 Ų | 161 | 120.4 Ų | 120.4 | 75% | 0.745 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -106.2 | -8.8 | -176.4 | -168.1 | -81.5 | 0 | 0 | 0 | 113.5 | L176 Y177 | L176-H180 PolarHBondContact O-N 3.1Å; Y177-H180 PolarHBondContact O-N 3.18Å |
| 181 | H | 64.1 | Low | 90.1 | Very high | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.806 | 59% | 0.59 | S | S | * | * | trans | -122.3 | 0 | 175.4 | -63 | 81.7 | 0 | 0 | 0 | 109.7 | Y177 | Y177-H181 AromaticContact CD2-CE1 3.88Å; Y177-H181 AromaticContact CD2-ND1 3.88Å; Y177-H181 AromaticContact CE2-CE1 3.62Å; Y177-H181 AromaticContact CE2-ND1 3.79Å; Y177-H181 PolarHBondContact O-N 2.92Å; Y177-H181 PolarHBondContact O-ND1 3.2Å |
Retrieved 181 of 181 residues in 319 ms
(Link to these results)