| 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 | 44.8 | Very low | 55 | Low | 229 Ų | 229 | 125.3 Ų | 125.3 | 100% | 1.128 | 66% | 0.663 | S | S | * | * | 0 | 59 | 0 | -69.6 | 157.7 | 93.2 | 0 | 0 | 111.1 | |||||
| 2 | F | 52.3 | Low | 55.4 | Low | 184 Ų | 184 | 123.9 Ų | 123.9 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | trans | -115 | -0 | -177.9 | -68.6 | -77.2 | 0 | 0 | 0 | 114.2 | V4 | F2-V4 PolarHBondContact O-N 2.86Š| ||
| 3 | A | 53 | Low | 55.7 | Low | 80 Ų | 80 | 122.5 Ų | 122.5 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -76.6 | -18.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 4 | V | 53.9 | Low | 55.9 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -81.8 | -17.4 | -172.8 | -164.7 | 0 | 0 | 0 | 0 | 112.6 | F2 | F2-V4 PolarHBondContact O-N 2.86Š|
| 5 | K | 53.9 | Low | 56.1 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -85.9 | -15.8 | -176.2 | -91.8 | 178.2 | 158.8 | 166.6 | 0 | 115.1 | P8 | K5-P8 WeakPolarHBondContact O-CD 3.42Š|
| 6 | I | 58.2 | Low | 56.2 | Low | 112 Ų | 112 | 120.4 Ų | 120.4 | 57% | 0.574 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -29 | -175.1 | -57.4 | -178.4 | 0 | 0 | 0 | 111.7 | V9 L10 | I6-V9 PolarHBondContact O-N 2.97Å; I6-L10 HydrophobicContact CG2-CD1 4.43Å |
| 7 | I | 57.3 | Low | 56.1 | Low | 112 Ų | 112 | 118 Ų | 118 | 57% | 0.574 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.1 | -45.1 | -176.6 | -56.1 | 174.5 | 0 | 0 | 0 | 113.5 | V9 I11 | I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 2.77Å; I7-I11 HydrophobicContact CG2-CD1 4.47Å |
| 8 | P | 56 | Low | 56.1 | Low | 67 Ų | 67 | 121.3 Ų | 121.3 | 44% | 0.435 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.7 | -26.8 | -177.4 | 25.3 | -34.1 | 0 | 0 | 0 | 113.8 | K5 I11 I12 | K5-P8 WeakPolarHBondContact O-CD 3.42Å; P8-I11 PolarHBondContact O-N 3.15Å; P8-I12 WeakPolarHBondContact O-CG1 3.37Å; P8-I12 PolarHBondContact O-N 3.46Å |
| 9 | V | 59 | Low | 56 | Low | 85 Ų | 85 | 119.2 Ų | 119.2 | 52% | 0.515 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71 | -39 | -176.4 | -178 | 0 | 0 | 0 | 0 | 111.3 | I6 I7 I11 I12 I13 | I6-V9 PolarHBondContact O-N 2.97Å; I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 2.77Å; V9-I11 VanDerWaalsContact C-N 3.3Å; V9-I11 PolarHBondContact O-N 2.9Å; V9-I12 PolarHBondContact O-N 3.47Å; V9-I13 HydrophobicContact CG1-CD1 4.17Å; V9-I13 WeakPolarHBondContact O-CG1 3.25Å; V9-I13 PolarHBondContact O-N 3.3Å |
| 10 | L | 55.7 | Low | 56.1 | Low | 109 Ų | 109 | 120.5 Ų | 120.5 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.6 | -33.1 | 178.6 | -105.6 | 139.1 | 0 | 0 | 0 | 112.7 | I6 | I6-L10 HydrophobicContact CG2-CD1 4.43Å |
| 11 | I | 60.8 | Low | 56 | Low | 103 Ų | 103 | 123 Ų | 123 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -69.9 | -40.1 | 178.8 | -60.6 | 173.9 | 0 | 0 | 0 | 110.6 | I7 P8 V9 I13 M14 L15 | I7-I11 HydrophobicContact CG2-CD1 4.47Å; P8-I11 PolarHBondContact O-N 3.15Å; V9-I11 VanDerWaalsContact C-N 3.3Å; V9-I11 PolarHBondContact O-N 2.9Å; I11-I13 PolarHBondContact O-N 3.43Å; I11-M14 PolarHBondContact O-N 3.36Å; I11-L15 HydrophobicContact CG2-CD1 4.11Å |
| 12 | I | 60.2 | Low | 56.4 | Low | 109 Ų | 109 | 116 Ų | 116 | 56% | 0.559 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.4 | -38 | -177.7 | -63.8 | 165.6 | 0 | 0 | 0 | 111.8 | P8 V9 M14 L15 T16 | P8-I12 WeakPolarHBondContact O-CG1 3.37Å; P8-I12 PolarHBondContact O-N 3.46Å; V9-I12 PolarHBondContact O-N 3.47Å; I12-M14 VanDerWaalsContact C-N 3.34Å; I12-M14 PolarHBondContact O-N 3.41Å; I12-L15 PolarHBondContact O-N 2.97Å; I12-T16 PolarHBondContact O-N 3.28Å |
| 13 | I | 59.5 | Low | 56.9 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 54% | 0.544 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.2 | -33.4 | -178.4 | -62.7 | 166.4 | 0 | 0 | 0 | 112 | V9 I11 L15 T16 S17 | V9-I13 HydrophobicContact CG1-CD1 4.17Å; V9-I13 WeakPolarHBondContact O-CG1 3.25Å; V9-I13 PolarHBondContact O-N 3.3Å; I11-I13 PolarHBondContact O-N 3.43Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.03Å; I13-T16 PolarHBondContact O-OG1 2.99Å; I13-S17 PolarHBondContact O-OG 3.16Å; I13-S17 VanDerWaalsContact O-OG 3.14Å |
| 14 | M | 58.2 | Low | 57.9 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72 | -24 | 178.3 | -69.9 | -67.7 | -162 | 0 | 0 | 113 | I11 I12 | I11-M14 PolarHBondContact O-N 3.36Å; I12-M14 VanDerWaalsContact C-N 3.34Å; I12-M14 PolarHBondContact O-N 3.41Å |
| 15 | L | 57.9 | Low | 59.1 | Low | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.1 | -33.4 | 179.5 | -85.9 | 143.8 | 0 | 0 | 0 | 112.8 | I11 I12 I13 | I11-L15 HydrophobicContact CG2-CD1 4.11Å; I12-L15 PolarHBondContact O-N 2.97Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.03Å |
| 16 | T | 58.1 | Low | 60.7 | Low | 84 Ų | 84 | 111.2 Ų | 111.2 | 52% | 0.515 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -80.9 | -25.3 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | I12 I13 K18 S19 | I12-T16 PolarHBondContact O-N 3.28Å; I13-T16 PolarHBondContact O-OG1 2.99Å; T16-K18 VanDerWaalsContact C-N 3.32Å; T16-K18 PolarHBondContact O-N 2.95Å; T16-S19 PolarHBondContact O-N 2.94Å |
| 17 | S | 55.2 | Low | 62.2 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -19.6 | -176.8 | 35.1 | 0 | 0 | 0 | 0 | 114 | I13 | I13-S17 PolarHBondContact O-OG 3.16Å; I13-S17 VanDerWaalsContact O-OG 3.14Å |
| 18 | K | 56.3 | Low | 63.9 | Low | 177 Ų | 177 | 112 Ų | 112 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -14.4 | 177.7 | -64.8 | -168.5 | 179.3 | -171.2 | 0 | 114.2 | T16 | T16-K18 VanDerWaalsContact C-N 3.32Å; T16-K18 PolarHBondContact O-N 2.95Å |
| 19 | S | 54.6 | Low | 65.6 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 57% | 0.573 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -88.4 | -17.2 | -170 | -50.9 | 0 | 0 | 0 | 0 | 114.3 | T16 | T16-S19 PolarHBondContact O-N 2.94Š|
| 20 | I | 56.1 | Low | 67.3 | Low | 144 Ų | 144 | 110.8 Ų | 110.8 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -18.3 | -166.1 | -41.2 | 175.2 | 0 | 0 | 0 | 112.6 | S22 | I20-S22 VanDerWaalsContact C-N 3.34Š|
| 21 | L | 54.1 | Low | 69.1 | Low | 173 Ų | 173 | 107.8 Ų | 107.8 | 91% | 0.906 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 4.3 | 176.7 | -119.1 | 81.5 | 0 | 0 | 0 | 113.9 | D23 | L21-D23 PolarHBondContact O-N 3.21Š|
| 22 | S | 54.6 | Low | 70.8 | Confident | 83 Ų | 83 | 105.3 Ų | 105.3 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -90.1 | 90 | 174.4 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | I20 | I20-S22 VanDerWaalsContact C-N 3.34Š|
| 23 | D | 61.5 | Low | 72.5 | Confident | 147 Ų | 147 | 103 Ų | 103 | 79% | 0.786 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 172.9 | -15.6 | 133.9 | -116.3 | -102.3 | 0 | 0 | 0 | 114.8 | L21 M25 | L21-D23 PolarHBondContact O-N 3.21Å; D23-M25 PolarHBondContact O-N 2.88Å |
| 24 | V | 73.8 | Confident | 74.2 | Confident | 142 Ų | 142 | 101.6 Ų | 101.6 | 86% | 0.861 | 56% | 0.563 | S | S | * | * | trans | -85.5 | 76.5 | 178.2 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 25 | M | 79.9 | Confident | 76.1 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | trans | -57.2 | 136.7 | 164.2 | -73.5 | -172.7 | -172 | 0 | 0 | 108.8 | D23 V29 N30 | D23-M25 PolarHBondContact O-N 2.88Å; M25-V29 HydrophobicContact CB-CB 4.42Å; M25-V29 HydrophobicContact CB-CG1 4.34Å; M25-V29 HydrophobicContact CG-CG1 4.45Å; M25-V29 HydrophobicContact SD-CG1 4.02Å; M25-N30 WeakPolarHBondContact CB-OD1 3.46Å; M25-N30 PolarHBondContact O-ND2 3.36Å | ||
| 26 | P | 88 | Confident | 78 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | trans | -53.6 | 144.2 | 175.2 | -25 | 32.4 | 0 | 0 | 0 | 110.9 | K28 V29 N30 | P26-K28 PolarHBondContact O-N 3.38Å; P26-V29 HydrophobicContact CB-CG2 4.14Å; P26-V29 HydrophobicContact CG-CG2 4.1Å; P26-V29 WeakPolarHBondContact O-CA 3.42Å; P26-V29 WeakPolarHBondContact O-CB 3.39Å; P26-V29 PolarHBondContact O-N 2.85Å; P26-N30 PolarHBondContact O-N 3.3Å; P26-N30 VanDerWaalsContact O-N 3.14Å | ||
| 27 | P | 89.1 | Confident | 79.8 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 71% | 0.708 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.3 | -37.1 | -178.5 | -29.2 | 34.5 | 0 | 0 | 0 | 113.8 | V29 N30 C31 | P27-V29 PolarHBondContact O-N 2.04Å; P27-N30 PolarHBondContact O-N 3.33Å; P27-C31 PolarHBondContact O-N 2.86Å |
| 28 | K | 92.3 | Very high | 81.7 | Confident | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 175.7 | -173.2 | 173.4 | -174.1 | 172.4 | 0 | 113.1 | P26 C31 I32 | P26-K28 PolarHBondContact O-N 3.38Å; K28-C31 PolarHBondContact O-N 2.94Å; K28-I32 HydrophobicContact CG-CD1 4.01Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.04Å; K28-I32 PolarHBondContact O-N 3.24Å |
| 29 | V | 92.7 | Very high | 83.6 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.8 | 177 | 0 | 0 | 0 | 0 | 109.9 | M25 P26 P27 C31 I32 N33 | M25-V29 HydrophobicContact CB-CB 4.42Å; M25-V29 HydrophobicContact CB-CG1 4.34Å; M25-V29 HydrophobicContact CG-CG1 4.45Å; M25-V29 HydrophobicContact SD-CG1 4.02Å; P26-V29 HydrophobicContact CB-CG2 4.14Å; P26-V29 HydrophobicContact CG-CG2 4.1Å; P26-V29 WeakPolarHBondContact O-CA 3.42Å; P26-V29 WeakPolarHBondContact O-CB 3.39Å; P26-V29 PolarHBondContact O-N 2.85Å; P27-V29 PolarHBondContact O-N 2.04Å; V29-C31 PolarHBondContact O-N 3.3Å; V29-I32 PolarHBondContact O-N 3.14Å; V29-N33 WeakPolarHBondContact O-CB 3.45Å; V29-N33 PolarHBondContact O-N 3.21Å; V29-N33 PolarHBondContact O-ND2 3.2Å |
| 30 | N | 93.9 | Very high | 85.6 | Confident | 69 Ų | 69 | 89 Ų | 89 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 174 | -70.7 | -24.4 | 0 | 0 | 0 | 111.7 | M25 P26 P27 I32 N33 D34 | M25-N30 WeakPolarHBondContact CB-OD1 3.46Å; M25-N30 PolarHBondContact O-ND2 3.36Å; P26-N30 PolarHBondContact O-N 3.3Å; P26-N30 VanDerWaalsContact O-N 3.14Å; P27-N30 PolarHBondContact O-N 3.33Å; N30-I32 PolarHBondContact O-N 3.43Å; N30-N33 WeakPolarHBondContact O-CB 3.41Å; N30-N33 PolarHBondContact O-N 3.47Å; N30-D34 PolarHBondContact O-N 3.21Å |
| 31 | C | 94.7 | Very high | 87.5 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 30% | 0.304 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | P27 K28 V29 N33 D34 C35 C70 | P27-C31 PolarHBondContact O-N 2.86Å; K28-C31 PolarHBondContact O-N 2.94Å; V29-C31 PolarHBondContact O-N 3.3Å; C31-N33 VanDerWaalsContact C-N 3.32Å; C31-N33 PolarHBondContact O-N 3.43Å; C31-D34 PolarHBondContact O-N 3.26Å; C31-C35 PolarHBondContact O-N 2.95Å; C31-C35 PolarHBondContact O-SG 3Å; C31-C70 HydrophobicContact CB-CB 3.77Å; C31-C70 WeakPolarHBondContact CB-SG 3.38Å; C31-C70 WeakPolarHBondContact SG-CB 3.44Å; C31-C70 CovalentContact SG-SG 2.03Å; C31-C70 PolarHBondContact SG-SG 3.45Å |
| 32 | I | 95.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 80.2 Ų | 80.2 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.7 | -69.6 | 166.8 | 0 | 0 | 0 | 111.4 | K28 V29 N30 D34 C35 W36 Q67 C70 | K28-I32 HydrophobicContact CG-CD1 4.01Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.04Å; K28-I32 PolarHBondContact O-N 3.24Å; V29-I32 PolarHBondContact O-N 3.14Å; N30-I32 PolarHBondContact O-N 3.43Å; I32-D34 VanDerWaalsContact C-N 3.35Å; I32-C35 WeakPolarHBondContact O-CB 3.43Å; I32-C35 PolarHBondContact O-N 3.24Å; I32-W36 VanDerWaalsContact O-CD1 3.31Å; I32-W36 PolarHBondContact O-N 2.62Å; I32-W36 VanDerWaalsContact O-N 3.07Å; I32-Q67 HydrophobicContact CG1-CG 4.44Å; I32-Q67 HydrophobicContact CG2-CG 4.4Å; I32-C70 HydrophobicContact CG1-CB 4.42Å |
| 33 | N | 95.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 78.6 Ų | 78.6 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.6 | -73.2 | -18.3 | 0 | 0 | 0 | 111.5 | V29 N30 C31 W36 K37 | V29-N33 WeakPolarHBondContact O-CB 3.45Å; V29-N33 PolarHBondContact O-N 3.21Å; V29-N33 PolarHBondContact O-ND2 3.2Å; N30-N33 WeakPolarHBondContact O-CB 3.41Å; N30-N33 PolarHBondContact O-N 3.47Å; C31-N33 VanDerWaalsContact C-N 3.32Å; C31-N33 PolarHBondContact O-N 3.43Å; N33-W36 WeakPolarHBondContact O-CB 3.26Å; N33-W36 PolarHBondContact O-N 2.98Å; N33-K37 WeakPolarHBondContact O-CG 3.4Å; N33-K37 PolarHBondContact O-N 3.27Å |
| 34 | D | 96.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 78.9 Ų | 78.9 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.1 | -69.1 | -22.4 | 0 | 0 | 0 | 111.8 | N30 C31 I32 W36 K37 I38 | N30-D34 PolarHBondContact O-N 3.21Å; C31-D34 PolarHBondContact O-N 3.26Å; I32-D34 VanDerWaalsContact C-N 3.35Å; D34-W36 VanDerWaalsContact C-N 3.3Å; D34-W36 PolarHBondContact O-N 3.38Å; D34-K37 PolarHBondContact O-N 2.88Å; D34-K37 IonicContact OD1-NZ 3.83Å; D34-K37 PolarHBondContact OD1-NZ 2.88Å; D34-I38 WeakPolarHBondContact O-CG1 3.04Å; D34-I38 PolarHBondContact O-N 3.45Å |
| 35 | C | 97.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 170.2 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | C31 I32 G39 C66 Q67 C70 | C31-C35 PolarHBondContact O-N 2.95Å; C31-C35 PolarHBondContact O-SG 3Å; I32-C35 WeakPolarHBondContact O-CB 3.43Å; I32-C35 PolarHBondContact O-N 3.24Å; C35-G39 PolarHBondContact O-N 2.94Å; C35-C66 WeakPolarHBondContact CA-SG 3.48Å; C35-C66 HydrophobicContact CB-CB 3.65Å; C35-C66 WeakPolarHBondContact CB-SG 3.43Å; C35-C66 WeakPolarHBondContact SG-CB 3.27Å; C35-C66 CovalentContact SG-SG 2.03Å; C35-C66 PolarHBondContact SG-SG 3.46Å; C35-Q67 HydrophobicContact CB-CG 3.96Å; C35-Q67 PolarHBondContact SG-N 3.41Å; C35-C70 VanDerWaalsContact SG-SG 3.69Å |
| 36 | W | 97.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 76 Ų | 76 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.6 | -84.8 | 111.8 | 0 | 0 | 0 | 112.4 | I32 N33 D34 I38 G39 D40 I63 | I32-W36 VanDerWaalsContact O-CD1 3.31Å; I32-W36 PolarHBondContact O-N 2.62Å; I32-W36 VanDerWaalsContact O-N 3.07Å; N33-W36 WeakPolarHBondContact O-CB 3.26Å; N33-W36 PolarHBondContact O-N 2.98Å; D34-W36 VanDerWaalsContact C-N 3.3Å; D34-W36 PolarHBondContact O-N 3.38Å; W36-I38 VanDerWaalsContact C-N 3.33Å; W36-I38 PolarHBondContact O-N 3.26Å; W36-G39 CarbonylContact O-C 3.59Å; W36-G39 WeakPolarHBondContact O-CA 3.44Å; W36-G39 PolarHBondContact O-N 3.33Å; W36-G39 VanDerWaalsContact O-N 3.1Å; W36-D40 PolarHBondContact O-N 3.16Å; W36-I63 HydrophobicContact CD2-CG2 4.15Å; W36-I63 HydrophobicContact CE3-CD1 3.77Å; W36-I63 HydrophobicContact CE3-CG2 4.39Å; W36-I63 HydrophobicContact CZ2-CG2 4.48Å; W36-I63 HydrophobicContact CZ3-CD1 3.78Å |
| 37 | K | 96.7 | Very high | 94.5 | Very high | 124 Ų | 124 | 81.3 Ų | 81.3 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 176.3 | -69.1 | 172.7 | -167.4 | 159.1 | 0 | 112 | N33 D34 G39 D40 N41 | N33-K37 WeakPolarHBondContact O-CG 3.4Å; N33-K37 PolarHBondContact O-N 3.27Å; D34-K37 PolarHBondContact O-N 2.88Å; D34-K37 IonicContact OD1-NZ 3.83Å; D34-K37 PolarHBondContact OD1-NZ 2.88Å; K37-G39 VanDerWaalsContact C-N 3.33Å; K37-D40 PolarHBondContact O-N 2.92Å; K37-N41 WeakPolarHBondContact O-CB 3.43Å; K37-N41 VanDerWaalsContact O-CG 3.23Å; K37-N41 PolarHBondContact O-N 3.46Å; K37-N41 PolarHBondContact O-ND2 3.43Å |
| 38 | I | 95 | Very high | 94.5 | Very high | 113 Ų | 113 | 87.1 Ų | 87.1 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 176.3 | -66.4 | 165.5 | 0 | 0 | 0 | 110.3 | D34 W36 N41 C42 | D34-I38 WeakPolarHBondContact O-CG1 3.04Å; D34-I38 PolarHBondContact O-N 3.45Å; W36-I38 VanDerWaalsContact C-N 3.33Å; W36-I38 PolarHBondContact O-N 3.26Å; I38-N41 PolarHBondContact O-N 2.04Å; I38-C42 PolarHBondContact O-N 3.48Å |
| 39 | G | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 84.4 Ų | 84.4 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C35 W36 K37 C42 K43 I63 | C35-G39 PolarHBondContact O-N 2.94Å; W36-G39 CarbonylContact O-C 3.59Å; W36-G39 WeakPolarHBondContact O-CA 3.44Å; W36-G39 PolarHBondContact O-N 3.33Å; W36-G39 VanDerWaalsContact O-N 3.1Å; K37-G39 VanDerWaalsContact C-N 3.33Å; G39-C42 WeakPolarHBondContact O-CB 3.41Å; G39-C42 PolarHBondContact O-N 2.93Å; G39-K43 WeakPolarHBondContact O-CG 3.34Å; G39-K43 PolarHBondContact O-N 3.47Å; G39-I63 VanDerWaalsContact CA-CG1 3.42Å |
| 40 | D | 95.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 90.4 Ų | 90.4 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 178.9 | -71.4 | -23.3 | 0 | 0 | 0 | 111.2 | W36 K37 C42 K43 Q44 | W36-D40 PolarHBondContact O-N 3.16Å; K37-D40 PolarHBondContact O-N 2.92Å; D40-C42 VanDerWaalsContact C-N 3.27Å; D40-C42 PolarHBondContact O-N 3.08Å; D40-K43 PolarHBondContact O-N 2.03Å; D40-K43 VanDerWaalsContact O-N 3.16Å; D40-K43 IonicContact OD1-NZ 2.62Å; D40-Q44 WeakPolarHBondContact O-CG 3.28Å; D40-Q44 PolarHBondContact O-N 2.03Å |
| 41 | N | 95.9 | Very high | 93.7 | Very high | 88 Ų | 88 | 91.5 Ų | 91.5 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 170 | -72.7 | -22.8 | 0 | 0 | 0 | 111.9 | K37 I38 K45 | K37-N41 WeakPolarHBondContact O-CB 3.43Å; K37-N41 VanDerWaalsContact O-CG 3.23Å; K37-N41 PolarHBondContact O-N 3.46Å; K37-N41 PolarHBondContact O-ND2 3.43Å; I38-N41 PolarHBondContact O-N 2.04Å; N41-K45 WeakPolarHBondContact O-CG 3.23Å; N41-K45 PolarHBondContact O-N 3.23Å |
| 42 | C | 95.7 | Very high | 93.6 | Very high | 45 Ų | 45 | 91.9 Ų | 91.9 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | I38 G39 D40 Q44 K45 C59 | I38-C42 PolarHBondContact O-N 3.48Å; G39-C42 WeakPolarHBondContact O-CB 3.41Å; G39-C42 PolarHBondContact O-N 2.93Å; D40-C42 VanDerWaalsContact C-N 3.27Å; D40-C42 PolarHBondContact O-N 3.08Å; C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.26Å; C42-K45 PolarHBondContact O-N 3.41Å; C42-K45 VanDerWaalsContact O-N 3.08Å; C42-C59 HydrophobicContact CB-CB 3.68Å; C42-C59 WeakPolarHBondContact CB-SG 3.5Å; C42-C59 VanDerWaalsContact SG-CA 3.57Å; C42-C59 WeakPolarHBondContact SG-CB 3.43Å; C42-C59 CovalentContact SG-SG 2.04Å; C42-C59 PolarHBondContact SG-SG 2.95Å |
| 43 | K | 94.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 97.7 Ų | 97.7 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.4 | -34.5 | -179.8 | -71.2 | 170.5 | -175.6 | 169.8 | 0 | 112.8 | G39 D40 K45 C46 K56 C59 | G39-K43 WeakPolarHBondContact O-CG 3.34Å; G39-K43 PolarHBondContact O-N 3.47Å; D40-K43 PolarHBondContact O-N 2.03Å; D40-K43 VanDerWaalsContact O-N 3.16Å; D40-K43 IonicContact OD1-NZ 2.62Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 3.47Å; K43-C46 WeakPolarHBondContact O-CB 3.04Å; K43-C46 PolarHBondContact O-N 3.4Å; K43-K56 HydrophobicContact CG-CG 4.35Å; K43-C59 HydrophobicContact CG-CB 3.78Å; K43-C59 PolarHBondContact N-SG 3.34Å |
| 44 | Q | 93.7 | Very high | 93.5 | Very high | 154 Ų | 154 | 101.3 Ų | 101.3 | 72% | 0.72 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.1 | -28.3 | 176.3 | -73.1 | 177.9 | 36.5 | 0 | 0 | 112.9 | D40 C42 C46 | D40-Q44 WeakPolarHBondContact O-CG 3.28Å; D40-Q44 PolarHBondContact O-N 2.03Å; C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.26Å; Q44-C46 VanDerWaalsContact C-N 3.28Å |
| 45 | K | 93 | Very high | 93.5 | Very high | 168 Ų | 168 | 99.5 Ų | 99.5 | 73% | 0.73 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.7 | 176.7 | -65.4 | 175.2 | -177.1 | -177.1 | 0 | 113.3 | N41 C42 K43 Y47 | N41-K45 WeakPolarHBondContact O-CG 3.23Å; N41-K45 PolarHBondContact O-N 3.23Å; C42-K45 PolarHBondContact O-N 3.41Å; C42-K45 VanDerWaalsContact O-N 3.08Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 3.47Å; K45-Y47 PolarHBondContact O-N 3.24Å |
| 46 | C | 93.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 103.4 Ų | 103.4 | 7% | 0.074 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -72.6 | 116.7 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | K43 Q44 C55 K56 | K43-C46 WeakPolarHBondContact O-CB 3.04Å; K43-C46 PolarHBondContact O-N 3.4Å; Q44-C46 VanDerWaalsContact C-N 3.28Å; C46-C55 WeakPolarHBondContact CA-SG 3.49Å; C46-C55 HydrophobicContact CB-CB 3.71Å; C46-C55 WeakPolarHBondContact CB-SG 3.29Å; C46-C55 WeakPolarHBondContact SG-CB 3.34Å; C46-C55 CovalentContact SG-SG 2.04Å; C46-C55 PolarHBondContact SG-SG 3.06Å; C46-K56 HydrophobicContact CB-CG 4.25Å |
| 47 | Y | 89.9 | Confident | 93.4 | Very high | 186 Ų | 186 | 101.1 Ų | 101.1 | 73% | 0.729 | 47% | 0.468 | S | S | * | . | trans | -62.9 | 139.2 | 173.5 | -63.9 | -77 | 0 | 0 | 0 | 111 | K45 N49 E52 | K45-Y47 PolarHBondContact O-N 3.24Å; Y47-N49 PolarHBondContact O-N 2.97Å; Y47-E52 WeakPolarHBondContact O-CB 3.06Å | ||
| 48 | R | 87.9 | Confident | 93.4 | Very high | 231 Ų | 231 | 99 Ų | 99 | 87% | 0.872 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -73.4 | 72.6 | 173.3 | -67.8 | -176.5 | -178.2 | 176.3 | 1 | 110.5 | ||
| 49 | N | 87.9 | Confident | 93.5 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -136 | -172.9 | 177.1 | 67.5 | 22 | 0 | 0 | 0 | 110.3 | Y47 Q51 E52 | Y47-N49 PolarHBondContact O-N 2.97Å; N49-Q51 PolarHBondContact O-N 3.07Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.49Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.38Å; N49-Q51 PolarHBondContact OD1-N 3.21Å; N49-E52 VanDerWaalsContact O-CB 3.26Å; N49-E52 WeakPolarHBondContact O-CB 3.32Å; N49-E52 PolarHBondContact O-N 3.38Å |
| 50 | F | 83.9 | Confident | 93.4 | Very high | 185 Ų | 185 | 95.7 Ų | 95.7 | 81% | 0.811 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17 | -179.9 | 71.2 | -88.4 | 0 | 0 | 0 | 114.5 | ||
| 51 | Q | 90.4 | Very high | 93.5 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.2 | 178 | -54.8 | -171.7 | 64.4 | 0 | 0 | 113.4 | N49 F53 K54 C55 | N49-Q51 PolarHBondContact O-N 3.07Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.49Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.38Å; N49-Q51 PolarHBondContact OD1-N 3.21Å; Q51-F53 VanDerWaalsContact C-N 3.31Å; Q51-F53 PolarHBondContact O-N 2.82Å; Q51-K54 PolarHBondContact O-N 3.1Å; Q51-K54 VanDerWaalsContact O-N 3.15Å; Q51-C55 WeakPolarHBondContact O-CB 3.44Å; Q51-C55 PolarHBondContact O-N 3.37Å |
| 52 | E | 92.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 94.9 Ų | 94.9 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -54.4 | -48 | -177 | -175.8 | -179.3 | 176.3 | 0 | 0 | 111.6 | Y47 N49 K54 C55 K56 | Y47-E52 WeakPolarHBondContact O-CB 3.06Å; N49-E52 VanDerWaalsContact O-CB 3.26Å; N49-E52 WeakPolarHBondContact O-CB 3.32Å; N49-E52 PolarHBondContact O-N 3.38Å; E52-K54 PolarHBondContact O-N 2.97Å; E52-C55 PolarHBondContact O-N 3.38Å; E52-K56 HydrophobicContact CG-CD 4.02Å; E52-K56 HydrophobicContact CG-CG 4.47Å; E52-K56 WeakPolarHBondContact O-CB 3.08Å; E52-K56 WeakPolarHBondContact O-CG 3.36Å; E52-K56 PolarHBondContact O-N 2.84Å; E52-K56 VanDerWaalsContact OE1-CE 3.23Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.81Å; E52-K56 PolarHBondContact OE1-NZ 3.01Å |
| 53 | F | 93.7 | Very high | 93.6 | Very high | 172 Ų | 172 | 92.9 Ų | 92.9 | 75% | 0.754 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 179.6 | -178.8 | -96.8 | 0 | 0 | 0 | 112 | Q51 K56 S57 | Q51-F53 VanDerWaalsContact C-N 3.31Å; Q51-F53 PolarHBondContact O-N 2.82Å; F53-K56 PolarHBondContact O-N 3.48Å; F53-S57 VanDerWaalsContact O-CB 3.25Å; F53-S57 WeakPolarHBondContact O-CB 3.05Å; F53-S57 PolarHBondContact O-N 3.23Å |
| 54 | K | 95.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 95.9 Ų | 95.9 | 59% | 0.591 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -45 | 177.9 | -175.3 | 178.6 | 179.5 | -178.2 | 0 | 111 | Q51 E52 S57 N58 | Q51-K54 PolarHBondContact O-N 3.1Å; Q51-K54 VanDerWaalsContact O-N 3.15Å; E52-K54 PolarHBondContact O-N 2.97Å; K54-S57 PolarHBondContact O-N 3.24Å; K54-N58 VanDerWaalsContact O-CG 3.29Å; K54-N58 PolarHBondContact O-N 3.31Å |
| 55 | C | 95.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 94.5 Ų | 94.5 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | C46 Q51 E52 S57 N58 C59 | C46-C55 WeakPolarHBondContact CA-SG 3.49Å; C46-C55 HydrophobicContact CB-CB 3.71Å; C46-C55 WeakPolarHBondContact CB-SG 3.29Å; C46-C55 WeakPolarHBondContact SG-CB 3.34Å; C46-C55 CovalentContact SG-SG 2.04Å; C46-C55 PolarHBondContact SG-SG 3.06Å; Q51-C55 WeakPolarHBondContact O-CB 3.44Å; Q51-C55 PolarHBondContact O-N 3.37Å; E52-C55 PolarHBondContact O-N 3.38Å; C55-S57 VanDerWaalsContact C-N 3.31Å; C55-S57 PolarHBondContact O-N 3.02Å; C55-N58 WeakPolarHBondContact O-CB 3.03Å; C55-N58 PolarHBondContact O-N 2.97Å; C55-N58 VanDerWaalsContact O-N 3.16Å; C55-C59 PolarHBondContact O-N 2.89Å; C55-C59 PolarHBondContact O-SG 3.25Å |
| 56 | K | 96 | Very high | 94.1 | Very high | 83 Ų | 83 | 88.6 Ų | 88.6 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.9 | -73.9 | -179.9 | 171 | 176.6 | 0 | 112.6 | K43 C46 E52 F53 C59 Q60 | K43-K56 HydrophobicContact CG-CG 4.35Å; C46-K56 HydrophobicContact CB-CG 4.25Å; E52-K56 HydrophobicContact CG-CD 4.02Å; E52-K56 HydrophobicContact CG-CG 4.47Å; E52-K56 WeakPolarHBondContact O-CB 3.08Å; E52-K56 WeakPolarHBondContact O-CG 3.36Å; E52-K56 PolarHBondContact O-N 2.84Å; E52-K56 VanDerWaalsContact OE1-CE 3.23Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.81Å; E52-K56 PolarHBondContact OE1-NZ 3.01Å; F53-K56 PolarHBondContact O-N 3.48Å; K56-C59 PolarHBondContact O-N 3.41Å; K56-Q60 PolarHBondContact O-N 3.34Å |
| 57 | S | 96.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 90.7 Ų | 90.7 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.2 | -174 | 0 | 0 | 0 | 0 | 111.9 | F53 K54 C55 Q60 N61 | F53-S57 VanDerWaalsContact O-CB 3.25Å; F53-S57 WeakPolarHBondContact O-CB 3.05Å; F53-S57 PolarHBondContact O-N 3.23Å; K54-S57 PolarHBondContact O-N 3.24Å; C55-S57 VanDerWaalsContact C-N 3.31Å; C55-S57 PolarHBondContact O-N 3.02Å; S57-Q60 WeakPolarHBondContact O-CB 3.06Å; S57-Q60 PolarHBondContact O-N 3.49Å; S57-N61 PolarHBondContact O-N 3.04Å; S57-N61 PolarHBondContact O-ND2 2.81Å |
| 58 | N | 96.7 | Very high | 94.5 | Very high | 81 Ų | 81 | 91.1 Ų | 91.1 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 173.8 | -71.4 | -11.2 | 0 | 0 | 0 | 111.5 | K54 C55 Q60 N61 D62 | K54-N58 VanDerWaalsContact O-CG 3.29Å; K54-N58 PolarHBondContact O-N 3.31Å; C55-N58 WeakPolarHBondContact O-CB 3.03Å; C55-N58 PolarHBondContact O-N 2.97Å; C55-N58 VanDerWaalsContact O-N 3.16Å; N58-Q60 VanDerWaalsContact C-N 3.25Å; N58-Q60 PolarHBondContact O-N 3.44Å; N58-N61 WeakPolarHBondContact O-CB 3.48Å; N58-N61 PolarHBondContact O-N 3.48Å; N58-D62 PolarHBondContact O-N 3.36Å |
| 59 | C | 97.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.014 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | C42 K43 C55 K56 N61 D62 I63 | C42-C59 HydrophobicContact CB-CB 3.68Å; C42-C59 WeakPolarHBondContact CB-SG 3.5Å; C42-C59 VanDerWaalsContact SG-CA 3.57Å; C42-C59 WeakPolarHBondContact SG-CB 3.43Å; C42-C59 CovalentContact SG-SG 2.04Å; C42-C59 PolarHBondContact SG-SG 2.95Å; K43-C59 HydrophobicContact CG-CB 3.78Å; K43-C59 PolarHBondContact N-SG 3.34Å; C55-C59 PolarHBondContact O-N 2.89Å; C55-C59 PolarHBondContact O-SG 3.25Å; K56-C59 PolarHBondContact O-N 3.41Å; C59-N61 VanDerWaalsContact C-N 3.33Å; C59-N61 PolarHBondContact O-N 2.93Å; C59-D62 PolarHBondContact O-N 3.29Å; C59-I63 WeakPolarHBondContact O-CG1 3.42Å; C59-I63 PolarHBondContact O-N 3.2Å |
| 60 | Q | 96.3 | Very high | 95 | Very high | 45 Ų | 45 | 84.5 Ų | 84.5 | 21% | 0.21 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 177 | -169.1 | 64.7 | 37.7 | 0 | 0 | 112.5 | K56 S57 N58 D62 I63 R64 | K56-Q60 PolarHBondContact O-N 3.34Å; S57-Q60 WeakPolarHBondContact O-CB 3.06Å; S57-Q60 PolarHBondContact O-N 3.49Å; N58-Q60 VanDerWaalsContact C-N 3.25Å; N58-Q60 PolarHBondContact O-N 3.44Å; Q60-D62 VanDerWaalsContact C-N 3.34Å; Q60-I63 PolarHBondContact O-N 2.96Å; Q60-R64 WeakPolarHBondContact O-CG 3.36Å; Q60-R64 PolarHBondContact O-N 3.4Å; Q60-R64 VanDerWaalsContact O-N 3.14Å |
| 61 | N | 97.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 79.5 Ų | 79.5 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 174.3 | -71.1 | -30.5 | 0 | 0 | 0 | 111.8 | S57 N58 C59 R64 K65 | S57-N61 PolarHBondContact O-N 3.04Å; S57-N61 PolarHBondContact O-ND2 2.81Å; N58-N61 WeakPolarHBondContact O-CB 3.48Å; N58-N61 PolarHBondContact O-N 3.48Å; C59-N61 VanDerWaalsContact C-N 3.33Å; C59-N61 PolarHBondContact O-N 2.93Å; N61-R64 WeakPolarHBondContact O-CB 3.34Å; N61-R64 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact OD1-NH1 3.14Å; N61-K65 WeakPolarHBondContact O-CG 3.44Å; N61-K65 PolarHBondContact O-N 3.14Å |
| 62 | D | 96.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 78.8 Ų | 78.8 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 177.8 | -64.6 | -25 | 0 | 0 | 0 | 111.8 | N58 C59 Q60 R64 K65 C66 | N58-D62 PolarHBondContact O-N 3.36Å; C59-D62 PolarHBondContact O-N 3.29Å; Q60-D62 VanDerWaalsContact C-N 3.34Å; D62-R64 VanDerWaalsContact C-N 3.33Å; D62-R64 PolarHBondContact O-N 3.4Å; D62-K65 PolarHBondContact O-N 3.32Å; D62-K65 IonicContact OD1-NZ 3.43Å; D62-K65 PolarHBondContact OD1-NZ 3.29Å; D62-C66 WeakPolarHBondContact O-CB 3.39Å; D62-C66 PolarHBondContact O-N 3.44Å |
| 63 | I | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.8 | -48.8 | 168.8 | -64.6 | 167.1 | 0 | 0 | 0 | 110.4 | W36 G39 C59 Q60 K65 C66 Q67 | W36-I63 HydrophobicContact CD2-CG2 4.15Å; W36-I63 HydrophobicContact CE3-CD1 3.77Å; W36-I63 HydrophobicContact CE3-CG2 4.39Å; W36-I63 HydrophobicContact CZ2-CG2 4.48Å; W36-I63 HydrophobicContact CZ3-CD1 3.78Å; G39-I63 VanDerWaalsContact CA-CG1 3.42Å; C59-I63 WeakPolarHBondContact O-CG1 3.42Å; C59-I63 PolarHBondContact O-N 3.2Å; Q60-I63 PolarHBondContact O-N 2.96Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.46Å; I63-C66 WeakPolarHBondContact O-CB 3.49Å; I63-C66 PolarHBondContact O-N 3.42Å; I63-Q67 HydrophobicContact CG2-CG 4.27Å; I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 VanDerWaalsContact O-CG 3.29Å; I63-Q67 WeakPolarHBondContact O-CG 3.2Å; I63-Q67 PolarHBondContact O-N 2.91Å |
| 64 | R | 97.1 | Very high | 96.1 | Very high | 112 Ų | 112 | 74.8 Ų | 74.8 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 179.9 | -68.8 | 176.3 | -170 | 128 | -1.9 | 112.2 | Q60 N61 D62 R68 | Q60-R64 WeakPolarHBondContact O-CG 3.36Å; Q60-R64 PolarHBondContact O-N 3.4Å; Q60-R64 VanDerWaalsContact O-N 3.14Å; N61-R64 WeakPolarHBondContact O-CB 3.34Å; N61-R64 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact OD1-NH1 3.14Å; D62-R64 VanDerWaalsContact C-N 3.33Å; D62-R64 PolarHBondContact O-N 3.4Å; R64-R68 VanDerWaalsContact O-CG 3.28Å; R64-R68 WeakPolarHBondContact O-CG 3.47Å; R64-R68 PolarHBondContact O-N 3.46Å |
| 65 | K | 97.1 | Very high | 96.1 | Very high | 125 Ų | 125 | 71 Ų | 71 | 54% | 0.543 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.5 | -71.7 | 173.3 | -172.5 | 165.8 | 0 | 110.7 | N61 D62 I63 Q67 R68 S69 | N61-K65 WeakPolarHBondContact O-CG 3.44Å; N61-K65 PolarHBondContact O-N 3.14Å; D62-K65 PolarHBondContact O-N 3.32Å; D62-K65 IonicContact OD1-NZ 3.43Å; D62-K65 PolarHBondContact OD1-NZ 3.29Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.46Å; K65-Q67 PolarHBondContact O-N 3.46Å; K65-R68 PolarHBondContact O-N 3.36Å; K65-S69 PolarHBondContact O-N 3.42Å |
| 66 | C | 96.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 176.3 | -179 | 0 | 0 | 0 | 0 | 111.4 | C35 D62 I63 R68 S69 C70 | C35-C66 WeakPolarHBondContact CA-SG 3.48Å; C35-C66 HydrophobicContact CB-CB 3.65Å; C35-C66 WeakPolarHBondContact CB-SG 3.43Å; C35-C66 WeakPolarHBondContact SG-CB 3.27Å; C35-C66 CovalentContact SG-SG 2.03Å; C35-C66 PolarHBondContact SG-SG 3.46Å; D62-C66 WeakPolarHBondContact O-CB 3.39Å; D62-C66 PolarHBondContact O-N 3.44Å; I63-C66 WeakPolarHBondContact O-CB 3.49Å; I63-C66 PolarHBondContact O-N 3.42Å; C66-R68 PolarHBondContact O-N 3.4Å; C66-S69 PolarHBondContact O-N 3.37Å; C66-C70 PolarHBondContact O-N 3.4Å |
| 67 | Q | 96.4 | Very high | 96.2 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -24.3 | 179.6 | -73.8 | 173.7 | -13.1 | 0 | 0 | 114.3 | I32 C35 I63 K65 S69 C70 | I32-Q67 HydrophobicContact CG1-CG 4.44Å; I32-Q67 HydrophobicContact CG2-CG 4.4Å; C35-Q67 HydrophobicContact CB-CG 3.96Å; C35-Q67 PolarHBondContact SG-N 3.41Å; I63-Q67 HydrophobicContact CG2-CG 4.27Å; I63-Q67 WeakPolarHBondContact O-CB 3.42Å; I63-Q67 VanDerWaalsContact O-CG 3.29Å; I63-Q67 WeakPolarHBondContact O-CG 3.2Å; I63-Q67 PolarHBondContact O-N 2.91Å; K65-Q67 PolarHBondContact O-N 3.46Å; Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-C70 WeakPolarHBondContact O-CB 3.47Å |
| 68 | R | 95.9 | Very high | 96.2 | Very high | 195 Ų | 195 | 74.3 Ų | 74.3 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -80.6 | -17.7 | 174.7 | -71.8 | 171 | -174.7 | 167.1 | 0.5 | 113.3 | R64 K65 C66 | R64-R68 VanDerWaalsContact O-CG 3.28Å; R64-R68 WeakPolarHBondContact O-CG 3.47Å; R64-R68 PolarHBondContact O-N 3.46Å; K65-R68 PolarHBondContact O-N 3.36Å; C66-R68 PolarHBondContact O-N 3.4Å |
| 69 | S | 93.7 | Very high | 96.1 | Very high | 110 Ų | 110 | 73.8 Ų | 73.8 | 77% | 0.769 | 37% | 0.365 | S | S | * | . | trans | -92 | -5.2 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | K65 C66 Q67 | K65-S69 PolarHBondContact O-N 3.42Å; C66-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact C-N 3.34Å | ||
| 70 | C | 92.1 | Very high | 96 | Very high | 55 Ų | 55 | 80.3 Ų | 80.3 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | trans | -83 | 0 | 154.2 | -47.6 | 0 | 0 | 0 | 0 | 109.6 | C31 I32 C35 C66 Q67 | C31-C70 HydrophobicContact CB-CB 3.77Å; C31-C70 WeakPolarHBondContact CB-SG 3.38Å; C31-C70 WeakPolarHBondContact SG-CB 3.44Å; C31-C70 CovalentContact SG-SG 2.03Å; C31-C70 PolarHBondContact SG-SG 3.45Å; I32-C70 HydrophobicContact CG1-CB 4.42Å; C35-C70 VanDerWaalsContact SG-SG 3.69Å; C66-C70 PolarHBondContact O-N 3.4Å; Q67-C70 WeakPolarHBondContact O-CB 3.47Å |
Retrieved 70 of 70 residues in 111.9 ms
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