| 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 | 38.2 | Very low | 41.1 | Very low | 243 Ų | 243 | 117.2 Ų | 117.2 | 100% | 1.197 | 69% | 0.693 | S | S | * | * | 0 | 101.3 | 0 | -59.9 | 168.7 | -169.6 | 0 | 0 | 105.4 | T3 | M1-T3 PolarHBondContact O-N 2.96Š| |||
| 2 | A | 36.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 112.1 Ų | 112.1 | 84% | 0.835 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.1 | -174 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 3 | T | 43.3 | Very low | 41.3 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 127.4 | 169.1 | 23 | 0 | 0 | 0 | 0 | 108.6 | M1 C5 | M1-T3 PolarHBondContact O-N 2.96Å; T3-C5 PolarHBondContact O-N 2.76Å |
| 4 | P | 43.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.2 | 175.8 | 24.6 | -30.4 | 0 | 0 | 0 | 109.6 | ||
| 5 | C | 31.4 | Very low | 41.6 | Very low | 84 Ų | 84 | 116.2 Ų | 116.2 | 57% | 0.568 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140.8 | 176.4 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | T3 L7 Y8 | T3-C5 PolarHBondContact O-N 2.76Å; C5-L7 PolarHBondContact O-N 3.46Å; C5-Y8 PolarHBondContact O-N 3.35Å |
| 6 | P | 46.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 66% | 0.662 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.8 | -21.4 | 178.8 | 22.7 | -32 | 0 | 0 | 0 | 113.3 | Y8 C9 V10 | P6-Y8 VanDerWaalsContact C-N 3.33Å; P6-Y8 PolarHBondContact O-N 3.1Å; P6-C9 WeakPolarHBondContact O-CB 3.36Å; P6-C9 PolarHBondContact O-N 3.16Å; P6-V10 WeakPolarHBondContact O-CG2 3.28Å; P6-V10 PolarHBondContact O-N 3.42Å |
| 7 | L | 40 | Very low | 42.3 | Very low | 146 Ų | 146 | 117.4 Ų | 117.4 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63 | -33.7 | 174.1 | -74 | 159.5 | 0 | 0 | 0 | 113.4 | C5 C9 V10 G11 | C5-L7 PolarHBondContact O-N 3.46Å; L7-C9 VanDerWaalsContact C-N 3.32Å; L7-V10 PolarHBondContact O-N 3.32Å; L7-G11 PolarHBondContact O-N 3.38Å |
| 8 | Y | 40 | Very low | 42.4 | Very low | 194 Ų | 194 | 123.8 Ų | 123.8 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -74.8 | -27.7 | 178.3 | -154.7 | -98.4 | 0 | 0 | 0 | 111.7 | C5 P6 A12 | C5-Y8 PolarHBondContact O-N 3.35Å; P6-Y8 VanDerWaalsContact C-N 3.33Å; P6-Y8 PolarHBondContact O-N 3.1Å; Y8-A12 PolarHBondContact O-N 3.4Å |
| 9 | C | 41.5 | Very low | 42.3 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 47% | 0.473 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.5 | -33.2 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 112 | P6 L7 A12 H13 | P6-C9 WeakPolarHBondContact O-CB 3.36Å; P6-C9 PolarHBondContact O-N 3.16Å; L7-C9 VanDerWaalsContact C-N 3.32Å; C9-A12 PolarHBondContact O-N 3Å; C9-H13 WeakPolarHBondContact O-CB 3.4Å; C9-H13 PolarHBondContact O-N 3.21Å |
| 10 | V | 48.1 | Very low | 42.4 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 44% | 0.436 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -67.1 | -40.6 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | P6 L7 A12 H13 L14 | P6-V10 WeakPolarHBondContact O-CG2 3.28Å; P6-V10 PolarHBondContact O-N 3.42Å; L7-V10 PolarHBondContact O-N 3.32Å; V10-A12 VanDerWaalsContact C-N 3.32Å; V10-A12 PolarHBondContact O-N 2.86Å; V10-H13 PolarHBondContact O-N 3.33Å; V10-L14 PolarHBondContact O-N 3Å |
| 11 | G | 42.8 | Very low | 42.4 | Very low | 47 Ų | 47 | 123 Ų | 123 | 49% | 0.485 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -63 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L7 | L7-G11 PolarHBondContact O-N 3.38Å |
| 12 | A | 42.9 | Very low | 42.6 | Very low | 56 Ų | 56 | 119.4 Ų | 119.4 | 46% | 0.463 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -81 | -28.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y8 C9 V10 L14 M15 | Y8-A12 PolarHBondContact O-N 3.4Å; C9-A12 PolarHBondContact O-N 3Å; V10-A12 VanDerWaalsContact C-N 3.32Å; V10-A12 PolarHBondContact O-N 2.86Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-M15 WeakPolarHBondContact O-CB 3.5Å; A12-M15 PolarHBondContact O-N 3.23Å; A12-M15 VanDerWaalsContact O-N 3.16Å |
| 13 | H | 41.7 | Very low | 42.8 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.7 | -26.4 | 175 | -129.4 | 79.4 | 0 | 0 | 0 | 112.3 | C9 V10 M15 T16 | C9-H13 WeakPolarHBondContact O-CB 3.4Å; C9-H13 PolarHBondContact O-N 3.21Å; V10-H13 PolarHBondContact O-N 3.33Å; H13-M15 PolarHBondContact O-N 3.02Å; H13-T16 PolarHBondContact O-N 2.85Å; H13-T16 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 45.7 | Very low | 43.3 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 43% | 0.429 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -18.5 | 169.7 | -168.7 | 53.6 | 0 | 0 | 0 | 112.5 | V10 A12 W24 | V10-L14 PolarHBondContact O-N 3Å; A12-L14 VanDerWaalsContact C-N 3.31Å; L14-W24 HydrophobicContact CD1-CE3 4.42Å; L14-W24 HydrophobicContact CD1-CZ3 4.09Å |
| 15 | M | 42 | Very low | 43.1 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 82% | 0.823 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 5 | 174.3 | -63 | -168.7 | 159.2 | 0 | 0 | 114.1 | A12 H13 | A12-M15 WeakPolarHBondContact O-CB 3.5Å; A12-M15 PolarHBondContact O-N 3.23Å; A12-M15 VanDerWaalsContact O-N 3.16Å; H13-M15 PolarHBondContact O-N 3.02Å |
| 16 | T | 45.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 125 Ų | 125 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -142.6 | 64.2 | 177.1 | -58 | 0 | 0 | 0 | 0 | 110.3 | H13 R18 | H13-T16 PolarHBondContact O-N 2.85Å; H13-T16 VanDerWaalsContact O-N 3.16Å; T16-R18 PolarHBondContact O-N 3.03Å | ||
| 17 | N | 48.5 | Very low | 43.8 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 81% | 0.807 | 66% | 0.66 | S | S | * | * | trans | -81.3 | 106.8 | 159.2 | -153.1 | -62 | 0 | 0 | 0 | 108.1 | A19 | N17-A19 PolarHBondContact O-N 3.32Š| ||
| 18 | R | 45.3 | Very low | 44.6 | Very low | 232 Ų | 232 | 123.5 Ų | 123.5 | 88% | 0.875 | 66% | 0.66 | S | S | * | * | trans | -75.6 | 118.1 | -174.5 | -172.1 | -179.7 | 177 | -177.5 | -1.3 | 109.1 | T16 | T16-R18 PolarHBondContact O-N 3.03Š| ||
| 19 | A | 39.5 | Very low | 45.4 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 84.6 | 99 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | N17 | N17-A19 PolarHBondContact O-N 3.32Š|
| 20 | G | 44.2 | Very low | 45.9 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 75.1 | 115.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 21 | E | 43.3 | Very low | 46.6 | Very low | 200 Ų | 200 | 120.9 Ų | 120.9 | 94% | 0.935 | 66% | 0.655 | S | S | * | * | trans | 74.2 | 119.8 | 158.8 | -40.8 | -179.9 | 119.6 | 0 | 0 | 113.6 | ||||
| 22 | H | 41.2 | Very low | 47.7 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | cis | -157.3 | 147.6 | 15 | -149.5 | 173.2 | 0 | 0 | 0 | 107.4 | W24 | H22-W24 VanDerWaalsContact O-CD1 3.32Å; H22-W24 PolarHBondContact O-N 3.22Å | ||
| 23 | V | 42.1 | Very low | 48.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -39.6 | 120 | 166.6 | 163 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | W | 52.6 | Low | 50.1 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 49% | 0.489 | 63% | 0.63 | S | S | . | * | trans | -87 | 111.9 | 160.1 | -69.5 | 10.7 | 0 | 0 | 0 | 104.8 | L14 H22 L34 Q38 | L14-W24 HydrophobicContact CD1-CE3 4.42Å; L14-W24 HydrophobicContact CD1-CZ3 4.09Å; H22-W24 VanDerWaalsContact O-CD1 3.32Å; H22-W24 PolarHBondContact O-N 3.22Å; W24-L34 HydrophobicContact CB-CD1 4.22Å; W24-L34 HydrophobicContact CD2-CD1 3.71Å; W24-L34 HydrophobicContact CD2-CD2 3.88Å; W24-L34 HydrophobicContact CD2-CG 4.29Å; W24-L34 HydrophobicContact CE3-CB 3.85Å; W24-L34 HydrophobicContact CE3-CD1 3.3Å; W24-L34 HydrophobicContact CE3-CD2 3.77Å; W24-L34 HydrophobicContact CE3-CG 3.8Å; W24-L34 HydrophobicContact CG-CD1 4.15Å; W24-L34 HydrophobicContact CH2-CB 4.05Å; W24-L34 HydrophobicContact CH2-CD2 3.65Å; W24-L34 HydrophobicContact CH2-CG 4.29Å; W24-L34 HydrophobicContact CZ2-CD2 3.81Å; W24-L34 HydrophobicContact CZ3-CB 3.45Å; W24-L34 VanDerWaalsContact CZ3-CB 3.45Å; W24-L34 HydrophobicContact CZ3-CD1 3.85Å; W24-L34 HydrophobicContact CZ3-CD2 3.68Å; W24-L34 HydrophobicContact CZ3-CG 3.82Å; W24-Q38 HydrophobicContact CH2-CG 4.41Å; W24-Q38 VanDerWaalsContact CZ3-NE2 3.34Å | ||
| 25 | S | 39.4 | Very low | 51 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 63% | 0.628 | S | S | * | * | trans | -48.2 | 147.1 | -174.9 | -119.6 | 0 | 0 | 0 | 0 | 111.3 | S27 | S25-S27 PolarHBondContact O-N 2.88Š| ||
| 26 | E | 43.2 | Very low | 52.2 | Low | 201 Ų | 201 | 116.2 Ų | 116.2 | 94% | 0.939 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -62.1 | 12.5 | -178.4 | -62.9 | 170.2 | 85.3 | 0 | 0 | 114.4 | E28 | E26-E28 PolarHBondContact O-N 3.26Š|
| 27 | S | 50.7 | Low | 53.3 | Low | 55 Ų | 55 | 111.9 Ų | 111.9 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | trans | -81 | 109.9 | -178.9 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | S25 D29 C30 | S25-S27 PolarHBondContact O-N 2.88Å; S27-D29 PolarHBondContact O-N 3.44Å; S27-D29 VanDerWaalsContact O-N 3.1Å; S27-C30 PolarHBondContact O-N 3.24Å | ||
| 28 | E | 56.9 | Low | 54 | Low | 163 Ų | 163 | 106.8 Ų | 106.8 | 76% | 0.762 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -55.8 | -25.9 | 175.6 | -67.8 | 175 | 80.3 | 0 | 0 | 112.5 | E26 C30 L31 | E26-E28 PolarHBondContact O-N 3.26Å; E28-C30 VanDerWaalsContact C-N 3.27Å; E28-C30 PolarHBondContact O-N 3.04Å; E28-L31 HydrophobicContact CB-CD1 4.41Å; E28-L31 HydrophobicContact CG-CD1 4.49Å; E28-L31 WeakPolarHBondContact O-CB 3.39Å; E28-L31 PolarHBondContact O-N 3.45Å |
| 29 | D | 56.2 | Low | 55.1 | Low | 132 Ų | 132 | 100.2 Ų | 100.2 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.2 | 176.3 | -66.1 | -73.8 | 0 | 0 | 0 | 114.2 | S27 P32 F33 | S27-D29 PolarHBondContact O-N 3.44Å; S27-D29 VanDerWaalsContact O-N 3.1Å; D29-P32 WeakPolarHBondContact O-CD 3.4Å; D29-F33 WeakPolarHBondContact O-CD2 3.35Å; D29-F33 WeakPolarHBondContact O-CE2 3.41Å |
| 30 | C | 53 | Low | 56.3 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 35% | 0.345 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -84.8 | -21.6 | -179.1 | -55 | 0 | 0 | 0 | 0 | 112.3 | S27 E28 P32 F33 L34 | S27-C30 PolarHBondContact O-N 3.24Å; E28-C30 VanDerWaalsContact C-N 3.27Å; E28-C30 PolarHBondContact O-N 3.04Å; C30-P32 VanDerWaalsContact C-CD 3.49Å; C30-F33 PolarHBondContact O-N 3Å; C30-L34 HydrophobicContact CB-CD1 3.88Å; C30-L34 WeakPolarHBondContact O-CB 3.47Å; C30-L34 WeakPolarHBondContact O-CD1 3.47Å; C30-L34 WeakPolarHBondContact O-CG 3.5Å; C30-L34 PolarHBondContact O-N 2.97Å |
| 31 | L | 61.3 | Low | 57.3 | Low | 98 Ų | 98 | 99.7 Ų | 99.7 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | -173.2 | -60.1 | 176.2 | 0 | 0 | 0 | 114.2 | E28 F33 L34 Q35 | E28-L31 HydrophobicContact CB-CD1 4.41Å; E28-L31 HydrophobicContact CG-CD1 4.49Å; E28-L31 WeakPolarHBondContact O-CB 3.39Å; E28-L31 PolarHBondContact O-N 3.45Å; L31-F33 VanDerWaalsContact C-N 3.28Å; L31-F33 PolarHBondContact O-N 3.04Å; L31-L34 PolarHBondContact O-N 3.25Å; L31-Q35 WeakPolarHBondContact O-CB 3.45Å; L31-Q35 PolarHBondContact O-N 3.44Å |
| 32 | P | 66.1 | Low | 58.2 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 179.5 | -19.8 | 32.6 | 0 | 0 | 0 | 112.6 | D29 C30 L36 | D29-P32 WeakPolarHBondContact O-CD 3.4Å; C30-P32 VanDerWaalsContact C-CD 3.49Å; P32-L36 WeakPolarHBondContact O-CB 3.44Å; P32-L36 PolarHBondContact O-N 3.23Å; P32-L36 VanDerWaalsContact O-N 3.12Å |
| 33 | F | 66.1 | Low | 59.3 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.6 | -36 | -177.1 | -53.4 | -52.4 | 0 | 0 | 0 | 112.1 | D29 C30 L31 L36 A37 F60 | D29-F33 WeakPolarHBondContact O-CD2 3.35Å; D29-F33 WeakPolarHBondContact O-CE2 3.41Å; C30-F33 PolarHBondContact O-N 3Å; L31-F33 VanDerWaalsContact C-N 3.28Å; L31-F33 PolarHBondContact O-N 3.04Å; F33-L36 PolarHBondContact O-N 3.34Å; F33-A37 PolarHBondContact O-N 3.43Å; F33-F60 HydrophobicContact CB-CE1 4.04Å; F33-F60 HydrophobicContact CB-CE2 4.03Å; F33-F60 HydrophobicContact CB-CZ 3.55Å; F33-F60 AromaticContact CD1-CE1 3.22Å; F33-F60 HydrophobicContact CD1-CE1 3.22Å; F33-F60 HydrophobicContact CD1-CE2 4.2Å; F33-F60 AromaticContact CD1-CZ 3.01Å; F33-F60 HydrophobicContact CD1-CZ 3.01Å; F33-F60 HydrophobicContact CD2-CD1 4.46Å; F33-F60 AromaticContact CD2-CE1 3.64Å; F33-F60 HydrophobicContact CD2-CE1 3.64Å; F33-F60 HydrophobicContact CD2-CZ 4.04Å; F33-F60 AromaticContact CE1-CE1 3.33Å; F33-F60 HydrophobicContact CE1-CE1 3.33Å; F33-F60 AromaticContact CE1-CZ 3.57Å; F33-F60 HydrophobicContact CE1-CZ 3.57Å; F33-F60 AromaticContact CE2-CE1 3.77Å; F33-F60 HydrophobicContact CE2-CE1 3.77Å; F33-F60 HydrophobicContact CG-CD1 4.42Å; F33-F60 AromaticContact CG-CE1 3.33Å; F33-F60 HydrophobicContact CG-CE1 3.33Å; F33-F60 HydrophobicContact CG-CE2 4.19Å; F33-F60 AromaticContact CG-CZ 3.24Å; F33-F60 HydrophobicContact CG-CZ 3.24Å; F33-F60 AromaticContact CZ-CE1 3.61Å; F33-F60 HydrophobicContact CZ-CE1 3.61Å; F33-F60 HydrophobicContact CZ-CZ 4.28Å |
| 34 | L | 68.6 | Low | 59.9 | Low | 41 Ų | 41 | 87 Ų | 87 | 22% | 0.215 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.1 | -38.6 | 175.7 | -71.7 | 171 | 0 | 0 | 0 | 112.1 | W24 C30 L31 A37 Q38 | W24-L34 HydrophobicContact CB-CD1 4.22Å; W24-L34 HydrophobicContact CD2-CD1 3.71Å; W24-L34 HydrophobicContact CD2-CD2 3.88Å; W24-L34 HydrophobicContact CD2-CG 4.29Å; W24-L34 HydrophobicContact CE3-CB 3.85Å; W24-L34 HydrophobicContact CE3-CD1 3.3Å; W24-L34 HydrophobicContact CE3-CD2 3.77Å; W24-L34 HydrophobicContact CE3-CG 3.8Å; W24-L34 HydrophobicContact CG-CD1 4.15Å; W24-L34 HydrophobicContact CH2-CB 4.05Å; W24-L34 HydrophobicContact CH2-CD2 3.65Å; W24-L34 HydrophobicContact CH2-CG 4.29Å; W24-L34 HydrophobicContact CZ2-CD2 3.81Å; W24-L34 HydrophobicContact CZ3-CB 3.45Å; W24-L34 VanDerWaalsContact CZ3-CB 3.45Å; W24-L34 HydrophobicContact CZ3-CD1 3.85Å; W24-L34 HydrophobicContact CZ3-CD2 3.68Å; W24-L34 HydrophobicContact CZ3-CG 3.82Å; C30-L34 HydrophobicContact CB-CD1 3.88Å; C30-L34 WeakPolarHBondContact O-CB 3.47Å; C30-L34 WeakPolarHBondContact O-CD1 3.47Å; C30-L34 WeakPolarHBondContact O-CG 3.5Å; C30-L34 PolarHBondContact O-N 2.97Å; L31-L34 PolarHBondContact O-N 3.25Å; L34-A37 PolarHBondContact O-N 3.04Å; L34-Q38 WeakPolarHBondContact O-CG 3.32Å; L34-Q38 PolarHBondContact O-N 2.66Å |
| 35 | Q | 66.1 | Low | 60 | Low | 81 Ų | 81 | 84.5 Ų | 84.5 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 171.8 | -171.4 | 59.4 | 61.1 | 0 | 0 | 110.9 | L31 A37 Q38 D39 | L31-Q35 WeakPolarHBondContact O-CB 3.45Å; L31-Q35 PolarHBondContact O-N 3.44Å; Q35-A37 VanDerWaalsContact C-N 3.34Å; Q35-A37 PolarHBondContact O-N 3.16Å; Q35-Q38 PolarHBondContact O-N 2.96Å; Q35-Q38 VanDerWaalsContact O-N 3.16Å; Q35-D39 PolarHBondContact NE2-OD2 3.37Å; Q35-D39 PolarHBondContact O-N 3.27Å; Q35-D39 VanDerWaalsContact O-OD2 3.08Å |
| 36 | L | 66.8 | Low | 60.7 | Low | 114 Ų | 114 | 90.5 Ų | 90.5 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 175.1 | -177.3 | 64.3 | 0 | 0 | 0 | 112.6 | P32 F33 Y40 | P32-L36 WeakPolarHBondContact O-CB 3.44Å; P32-L36 PolarHBondContact O-N 3.23Å; P32-L36 VanDerWaalsContact O-N 3.12Å; F33-L36 PolarHBondContact O-N 3.34Å; L36-Y40 VanDerWaalsContact O-CB 3.28Å; L36-Y40 WeakPolarHBondContact O-CB 3.14Å; L36-Y40 PolarHBondContact O-N 3.11Å |
| 37 | A | 68.1 | Low | 61.2 | Low | 10 Ų | 10 | 85.9 Ų | 85.9 | 8% | 0.083 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F33 L34 Q35 Y40 I41 V56 | F33-A37 PolarHBondContact O-N 3.43Å; L34-A37 PolarHBondContact O-N 3.04Å; Q35-A37 VanDerWaalsContact C-N 3.34Å; Q35-A37 PolarHBondContact O-N 3.16Å; A37-Y40 PolarHBondContact O-N 3.14Å; A37-I41 WeakPolarHBondContact O-CB 3.36Å; A37-I41 VanDerWaalsContact O-CD1 3.26Å; A37-I41 WeakPolarHBondContact O-CD1 3.47Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 3.02Å; A37-V56 HydrophobicContact CB-CG2 4.44Å |
| 38 | Q | 64.4 | Low | 61.9 | Low | 45 Ų | 45 | 87.3 Ų | 87.3 | 21% | 0.21 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.7 | -78.4 | 179.4 | 10.9 | 0 | 0 | 112.8 | W24 L34 Q35 Y40 I41 S42 | W24-Q38 HydrophobicContact CH2-CG 4.41Å; W24-Q38 VanDerWaalsContact CZ3-NE2 3.34Å; L34-Q38 WeakPolarHBondContact O-CG 3.32Å; L34-Q38 PolarHBondContact O-N 2.66Å; Q35-Q38 PolarHBondContact O-N 2.96Å; Q35-Q38 VanDerWaalsContact O-N 3.16Å; Q38-Y40 PolarHBondContact O-N 2.97Å; Q38-I41 PolarHBondContact O-N 2.93Å; Q38-S42 WeakPolarHBondContact O-CB 3.26Å; Q38-S42 PolarHBondContact O-N 3.21Å; Q38-S42 PolarHBondContact O-OG 3.24Å |
| 39 | D | 67.8 | Low | 62 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 177 | -78.7 | -58.9 | 0 | 0 | 0 | 111.1 | Q35 S43 | Q35-D39 PolarHBondContact NE2-OD2 3.37Å; Q35-D39 PolarHBondContact O-N 3.27Å; Q35-D39 VanDerWaalsContact O-OD2 3.08Å; D39-S43 WeakPolarHBondContact O-CB 3.33Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 3.45Å |
| 40 | Y | 63.4 | Low | 62.1 | Low | 78 Ų | 78 | 83.6 Ų | 83.6 | 31% | 0.306 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 176.8 | -169.7 | -95.2 | 0 | 0 | 0 | 112.6 | L36 A37 Q38 S43 C44 K47 V52 | L36-Y40 VanDerWaalsContact O-CB 3.28Å; L36-Y40 WeakPolarHBondContact O-CB 3.14Å; L36-Y40 PolarHBondContact O-N 3.11Å; A37-Y40 PolarHBondContact O-N 3.14Å; Q38-Y40 PolarHBondContact O-N 2.97Å; Y40-S43 PolarHBondContact O-N 3.36Å; Y40-S43 PolarHBondContact O-OG 3.45Å; Y40-C44 VanDerWaalsContact CE1-SG 3.51Å; Y40-C44 WeakPolarHBondContact O-CB 3.49Å; Y40-C44 PolarHBondContact O-N 3.12Å; Y40-C44 PolarHBondContact O-SG 3.36Å; Y40-K47 HydrophobicContact CE1-CD 4.39Å; Y40-K47 WeakPolarHBondContact OH-CD 3.47Å; Y40-K47 PolarHBondContact OH-NZ 2.96Å; Y40-V52 HydrophobicContact CD1-CB 4.14Å; Y40-V52 HydrophobicContact CD1-CG1 3.41Å; Y40-V52 VanDerWaalsContact CD1-CG1 3.41Å; Y40-V52 HydrophobicContact CD1-CG2 3.72Å; Y40-V52 HydrophobicContact CE1-CB 4.24Å; Y40-V52 HydrophobicContact CE1-CG1 3.91Å; Y40-V52 HydrophobicContact CE1-CG2 3.61Å; Y40-V52 HydrophobicContact CG-CG1 4.42Å |
| 41 | I | 66.6 | Low | 62.7 | Low | 67 Ų | 67 | 86 Ų | 86 | 34% | 0.344 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.6 | -67.5 | 156.7 | 0 | 0 | 0 | 110.6 | A37 Q38 S43 C44 L49 V52 | A37-I41 WeakPolarHBondContact O-CB 3.36Å; A37-I41 VanDerWaalsContact O-CD1 3.26Å; A37-I41 WeakPolarHBondContact O-CD1 3.47Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 3.02Å; Q38-I41 PolarHBondContact O-N 2.93Å; I41-S43 PolarHBondContact O-N 3.24Å; I41-C44 PolarHBondContact O-N 2.98Å; I41-L49 HydrophobicContact CD1-CD1 3.26Å; I41-L49 HydrophobicContact CG1-CD1 3.73Å; I41-V52 HydrophobicContact CG1-CG1 4.16Å |
| 42 | S | 62.5 | Low | 63.1 | Low | 107 Ų | 107 | 81.5 Ų | 81.5 | 75% | 0.748 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.6 | -28.6 | 176.5 | -68.7 | 0 | 0 | 0 | 0 | 113 | Q38 | Q38-S42 WeakPolarHBondContact O-CB 3.26Å; Q38-S42 PolarHBondContact O-N 3.21Å; Q38-S42 PolarHBondContact O-OG 3.24Å |
| 43 | S | 62.8 | Low | 63.2 | Low | 85 Ų | 85 | 80.9 Ų | 80.9 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -81.8 | -15.1 | 173.1 | 80 | 0 | 0 | 0 | 0 | 113.9 | D39 Y40 I41 G45 | D39-S43 WeakPolarHBondContact O-CB 3.33Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 3.45Å; Y40-S43 PolarHBondContact O-N 3.36Å; Y40-S43 PolarHBondContact O-OG 3.45Å; I41-S43 PolarHBondContact O-N 3.24Å; S43-G45 PolarHBondContact O-N 2.97Å |
| 44 | C | 56.1 | Low | 63.3 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 19% | 0.189 | 44% | 0.442 | C | S | . | . | trans | -90.8 | 92.8 | -175.4 | -79.2 | 0 | 0 | 0 | 0 | 111.5 | Y40 I41 K46 K47 | Y40-C44 VanDerWaalsContact CE1-SG 3.51Å; Y40-C44 WeakPolarHBondContact O-CB 3.49Å; Y40-C44 PolarHBondContact O-N 3.12Å; Y40-C44 PolarHBondContact O-SG 3.36Å; I41-C44 PolarHBondContact O-N 2.98Å; C44-K46 PolarHBondContact O-N 3.05Å; C44-K47 HydrophobicContact CB-CB 4.21Å | ||
| 45 | G | 54.8 | Low | 63.2 | Low | 77 Ų | 77 | 86.7 Ų | 86.7 | 79% | 0.794 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68.9 | -9.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S43 | S43-G45 PolarHBondContact O-N 2.97Š|
| 46 | K | 53.2 | Low | 63.6 | Low | 207 Ų | 207 | 84.4 Ų | 84.4 | 90% | 0.9 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -156.5 | 11.8 | -167.9 | -54.8 | -178.3 | -173.2 | 172.1 | 0 | 117.3 | C44 | C44-K46 PolarHBondContact O-N 3.05Š|
| 47 | K | 54.8 | Low | 63.6 | Low | 104 Ų | 104 | 85.1 Ų | 85.1 | 45% | 0.452 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -106.1 | 134.5 | 174.4 | -73.3 | 172.6 | 176.5 | 156 | 0 | 108.3 | Y40 C44 | Y40-K47 HydrophobicContact CE1-CD 4.39Å; Y40-K47 WeakPolarHBondContact OH-CD 3.47Å; Y40-K47 PolarHBondContact OH-NZ 2.96Å; C44-K47 HydrophobicContact CB-CB 4.21Å |
| 48 | T | 64.8 | Low | 63.5 | Low | 84 Ų | 84 | 91.1 Ų | 91.1 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | trans | -68 | 140.9 | -179 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | H50 E51 V52 | T48-H50 PolarHBondContact O-N 3.04Å; T48-E51 PolarHBondContact N-OE2 3.42Å; T48-E51 VanDerWaalsContact N-OE2 3.14Å; T48-E51 PolarHBondContact O-N 3.3Å; T48-E51 WeakPolarHBondContact OG1-CG 3.39Å; T48-E51 PolarHBondContact OG1-OE2 2.79Å; T48-E51 VanDerWaalsContact OG1-OE2 3.11Å; T48-V52 PolarHBondContact O-N 3.34Å | ||
| 49 | L | 59.3 | Low | 63.7 | Low | 96 Ų | 96 | 92.8 Ų | 92.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -47.9 | -35.1 | 176.5 | 176.2 | 63.9 | 0 | 0 | 0 | 111.7 | I41 V52 L53 | I41-L49 HydrophobicContact CD1-CD1 3.26Å; I41-L49 HydrophobicContact CG1-CD1 3.73Å; L49-V52 WeakPolarHBondContact O-CB 3.48Å; L49-V52 PolarHBondContact O-N 3.34Å; L49-L53 HydrophobicContact CD1-CD1 4.33Å; L49-L53 HydrophobicContact CD1-CG 4.32Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.37Å; L49-L53 WeakPolarHBondContact O-CG 3.41Å; L49-L53 PolarHBondContact O-N 3.26Å |
| 50 | H | 58.7 | Low | 63.5 | Low | 122 Ų | 122 | 90 Ų | 90 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.3 | -50.5 | 175.9 | -164.5 | -91.3 | 0 | 0 | 0 | 113.1 | T48 V52 L53 E54 | T48-H50 PolarHBondContact O-N 3.04Å; H50-V52 PolarHBondContact O-N 3.04Å; H50-L53 PolarHBondContact O-N 2.88Å; H50-E54 IonicContact CE1-OE2 3.63Å; H50-E54 IonicContact ND1-OE2 3.59Å; H50-E54 WeakPolarHBondContact O-CG 3.18Å; H50-E54 PolarHBondContact O-N 3.31Å |
| 51 | E | 65.3 | Low | 63.6 | Low | 100 Ų | 100 | 89.3 Ų | 89.3 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -31 | 178 | -71.2 | 175.1 | 94.4 | 0 | 0 | 112.9 | T48 K55 | T48-E51 PolarHBondContact N-OE2 3.42Å; T48-E51 VanDerWaalsContact N-OE2 3.14Å; T48-E51 PolarHBondContact O-N 3.3Å; T48-E51 WeakPolarHBondContact OG1-CG 3.39Å; T48-E51 PolarHBondContact OG1-OE2 2.79Å; T48-E51 VanDerWaalsContact OG1-OE2 3.11Å; E51-K55 PolarHBondContact O-N 3.35Å |
| 52 | V | 69.7 | Low | 63.4 | Low | 4 Ų | 4 | 91.1 Ų | 91.1 | 2% | 0.024 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -69.9 | -50.1 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | Y40 I41 T48 L49 H50 E54 K55 V56 | Y40-V52 HydrophobicContact CD1-CB 4.14Å; Y40-V52 HydrophobicContact CD1-CG1 3.41Å; Y40-V52 VanDerWaalsContact CD1-CG1 3.41Å; Y40-V52 HydrophobicContact CD1-CG2 3.72Å; Y40-V52 HydrophobicContact CE1-CB 4.24Å; Y40-V52 HydrophobicContact CE1-CG1 3.91Å; Y40-V52 HydrophobicContact CE1-CG2 3.61Å; Y40-V52 HydrophobicContact CG-CG1 4.42Å; I41-V52 HydrophobicContact CG1-CG1 4.16Å; T48-V52 PolarHBondContact O-N 3.34Å; L49-V52 WeakPolarHBondContact O-CB 3.48Å; L49-V52 PolarHBondContact O-N 3.34Å; H50-V52 PolarHBondContact O-N 3.04Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.97Å; V52-K55 PolarHBondContact O-N 3.07Å; V52-V56 HydrophobicContact CG1-CG2 4.37Å; V52-V56 WeakPolarHBondContact O-CG2 3Å; V52-V56 PolarHBondContact O-N 3.18Å |
| 53 | L | 68.2 | Low | 63.4 | Low | 68 Ų | 68 | 92 Ų | 92 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 179 | -72.1 | 171.5 | 0 | 0 | 0 | 110.5 | L49 H50 K55 V56 F57 | L49-L53 HydrophobicContact CD1-CD1 4.33Å; L49-L53 HydrophobicContact CD1-CG 4.32Å; L49-L53 HydrophobicContact CG-CD1 3.94Å; L49-L53 HydrophobicContact CG-CG 4.37Å; L49-L53 WeakPolarHBondContact O-CG 3.41Å; L49-L53 PolarHBondContact O-N 3.26Å; H50-L53 PolarHBondContact O-N 2.88Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 2.98Å; L53-V56 PolarHBondContact O-N 2.97Å; L53-V56 VanDerWaalsContact O-N 3.16Å; L53-F57 HydrophobicContact CB-CD2 4.16Å; L53-F57 HydrophobicContact CB-CE2 4.21Å; L53-F57 HydrophobicContact CD2-CE2 4.16Å; L53-F57 WeakPolarHBondContact O-CB 3.1Å; L53-F57 WeakPolarHBondContact O-CD2 3.44Å; L53-F57 PolarHBondContact O-N 3.26Å |
| 54 | E | 67.9 | Low | 63.5 | Low | 117 Ų | 117 | 93.3 Ų | 93.3 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.1 | -72.2 | -155.6 | 104.6 | 0 | 0 | 113 | H50 V52 K58 | H50-E54 IonicContact CE1-OE2 3.63Å; H50-E54 IonicContact ND1-OE2 3.59Å; H50-E54 WeakPolarHBondContact O-CG 3.18Å; H50-E54 PolarHBondContact O-N 3.31Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.97Å; E54-K58 WeakPolarHBondContact O-CB 3.44Å; E54-K58 PolarHBondContact O-N 2.88Å |
| 55 | K | 66.8 | Low | 63.5 | Low | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 175.4 | -94.8 | 177.8 | 173 | 171.1 | 0 | 112.8 | E51 V52 L53 S59 | E51-K55 PolarHBondContact O-N 3.35Å; V52-K55 PolarHBondContact O-N 3.07Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 2.98Å; K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 2.9Å; K55-S59 PolarHBondContact O-OG 3.34Å |
| 56 | V | 74.2 | Confident | 63.6 | Low | 33 Ų | 33 | 96.6 Ų | 96.6 | 20% | 0.2 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -61.8 | -58.3 | 176.1 | 166.4 | 0 | 0 | 0 | 0 | 108.2 | A37 V52 L53 K58 S59 F60 | A37-V56 HydrophobicContact CB-CG2 4.44Å; V52-V56 HydrophobicContact CG1-CG2 4.37Å; V52-V56 WeakPolarHBondContact O-CG2 3Å; V52-V56 PolarHBondContact O-N 3.18Å; L53-V56 PolarHBondContact O-N 2.97Å; L53-V56 VanDerWaalsContact O-N 3.16Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.79Å; V56-S59 WeakPolarHBondContact O-CA 3.16Å; V56-S59 WeakPolarHBondContact O-CB 3.47Å; V56-S59 PolarHBondContact O-N 3.44Å; V56-F60 HydrophobicContact CG1-CD2 3.63Å; V56-F60 HydrophobicContact CG1-CE2 3.63Å; V56-F60 WeakPolarHBondContact O-CD2 3.2Å; V56-F60 PolarHBondContact O-N 3.33Å |
| 57 | F | 66.3 | Low | 63.8 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.7 | -42.9 | 179.9 | -79.6 | -68.7 | 0 | 0 | 0 | 113.4 | L53 S59 F60 R61 | L53-F57 HydrophobicContact CB-CD2 4.16Å; L53-F57 HydrophobicContact CB-CE2 4.21Å; L53-F57 HydrophobicContact CD2-CE2 4.16Å; L53-F57 WeakPolarHBondContact O-CB 3.1Å; L53-F57 WeakPolarHBondContact O-CD2 3.44Å; L53-F57 PolarHBondContact O-N 3.26Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 3.1Å; F57-F60 PolarHBondContact O-N 3.39Å; F57-R61 PolarHBondContact O-N 3.03Å |
| 58 | K | 66.9 | Low | 64.1 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 60% | 0.596 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.4 | -35.8 | 175.9 | -172.1 | 166.7 | -176.4 | 156.6 | 0 | 112.9 | E54 V56 F60 P62 | E54-K58 WeakPolarHBondContact O-CB 3.44Å; E54-K58 PolarHBondContact O-N 2.88Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.79Å; K58-F60 VanDerWaalsContact C-N 3.32Å; K58-P62 WeakPolarHBondContact O-CD 3.43Å |
| 59 | S | 67.8 | Low | 63.8 | Low | 80 Ų | 80 | 88.3 Ų | 88.3 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73 | -26.6 | 176 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | K55 V56 F57 | K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 2.9Å; K55-S59 PolarHBondContact O-OG 3.34Å; V56-S59 WeakPolarHBondContact O-CA 3.16Å; V56-S59 WeakPolarHBondContact O-CB 3.47Å; V56-S59 PolarHBondContact O-N 3.44Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 3.1Å |
| 60 | F | 64.5 | Low | 63.6 | Low | 34 Ų | 34 | 90 Ų | 90 | 15% | 0.149 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -85.6 | -24.4 | 177.9 | -77.6 | -68.7 | 0 | 0 | 0 | 114.4 | F33 V56 F57 K58 L63 L64 | F33-F60 HydrophobicContact CB-CE1 4.04Å; F33-F60 HydrophobicContact CB-CE2 4.03Å; F33-F60 HydrophobicContact CB-CZ 3.55Å; F33-F60 AromaticContact CD1-CE1 3.22Å; F33-F60 HydrophobicContact CD1-CE1 3.22Å; F33-F60 HydrophobicContact CD1-CE2 4.2Å; F33-F60 AromaticContact CD1-CZ 3.01Å; F33-F60 HydrophobicContact CD1-CZ 3.01Å; F33-F60 HydrophobicContact CD2-CD1 4.46Å; F33-F60 AromaticContact CD2-CE1 3.64Å; F33-F60 HydrophobicContact CD2-CE1 3.64Å; F33-F60 HydrophobicContact CD2-CZ 4.04Å; F33-F60 AromaticContact CE1-CE1 3.33Å; F33-F60 HydrophobicContact CE1-CE1 3.33Å; F33-F60 AromaticContact CE1-CZ 3.57Å; F33-F60 HydrophobicContact CE1-CZ 3.57Å; F33-F60 AromaticContact CE2-CE1 3.77Å; F33-F60 HydrophobicContact CE2-CE1 3.77Å; F33-F60 HydrophobicContact CG-CD1 4.42Å; F33-F60 AromaticContact CG-CE1 3.33Å; F33-F60 HydrophobicContact CG-CE1 3.33Å; F33-F60 HydrophobicContact CG-CE2 4.19Å; F33-F60 AromaticContact CG-CZ 3.24Å; F33-F60 HydrophobicContact CG-CZ 3.24Å; F33-F60 AromaticContact CZ-CE1 3.61Å; F33-F60 HydrophobicContact CZ-CE1 3.61Å; F33-F60 HydrophobicContact CZ-CZ 4.28Å; V56-F60 HydrophobicContact CG1-CD2 3.63Å; V56-F60 HydrophobicContact CG1-CE2 3.63Å; V56-F60 WeakPolarHBondContact O-CD2 3.2Å; V56-F60 PolarHBondContact O-N 3.33Å; F57-F60 PolarHBondContact O-N 3.39Å; K58-F60 VanDerWaalsContact C-N 3.32Å; F60-L63 HydrophobicContact CD1-CD1 4.06Å; F60-L63 HydrophobicContact CE1-CD1 4.08Å; F60-L63 CarbonylContact O-C 3.6Å; F60-L63 WeakPolarHBondContact O-CA 3.46Å; F60-L63 WeakPolarHBondContact O-CB 3.47Å; F60-L63 PolarHBondContact O-N 3.16Å; F60-L64 HydrophobicContact CB-CD1 4.05Å; F60-L64 HydrophobicContact CB-CG 4.43Å; F60-L64 WeakPolarHBondContact O-CG 3.46Å; F60-L64 PolarHBondContact O-N 3.46Å |
| 61 | R | 63.6 | Low | 63.4 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 25% | 0.245 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -49.9 | -48.1 | 178.6 | -87.2 | -163.4 | -177.2 | 131.1 | 14.7 | 114.5 | F57 L63 L64 G65 L66 D68 A69 | F57-R61 PolarHBondContact O-N 3.03Å; R61-L63 VanDerWaalsContact C-N 3.25Å; R61-L63 PolarHBondContact O-N 2.81Å; R61-L64 PolarHBondContact O-N 3Å; R61-G65 PolarHBondContact O-N 3.16Å; R61-G65 VanDerWaalsContact O-N 3.07Å; R61-L66 PolarHBondContact O-N 3.29Å; R61-D68 IonicContact CZ-OD1 3.97Å; R61-D68 IonicContact NH1-OD1 3.04Å; R61-D68 PolarHBondContact NH1-OD1 3.25Å; R61-A69 VanDerWaalsContact CZ-CB 3.46Å; R61-A69 VanDerWaalsContact CZ-N 3.28Å; R61-A69 VanDerWaalsContact NH1-N 3.18Å |
| 62 | P | 62.6 | Low | 62.9 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -31.5 | 177.8 | -21.2 | 32.7 | 0 | 0 | 0 | 113.2 | K58 | K58-P62 WeakPolarHBondContact O-CD 3.43Å |
| 63 | L | 63.2 | Low | 62.4 | Low | 127 Ų | 127 | 96.4 Ų | 96.4 | 67% | 0.665 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.7 | -29.2 | 180 | -64.3 | 174.6 | 0 | 0 | 0 | 112.3 | F60 R61 G65 | F60-L63 HydrophobicContact CD1-CD1 4.06Å; F60-L63 HydrophobicContact CE1-CD1 4.08Å; F60-L63 CarbonylContact O-C 3.6Å; F60-L63 WeakPolarHBondContact O-CA 3.46Å; F60-L63 WeakPolarHBondContact O-CB 3.47Å; F60-L63 PolarHBondContact O-N 3.16Å; R61-L63 VanDerWaalsContact C-N 3.25Å; R61-L63 PolarHBondContact O-N 2.81Å; L63-G65 VanDerWaalsContact C-N 3.35Å |
| 64 | L | 63.9 | Low | 61.2 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -86.9 | -6 | 176.9 | -64.9 | 174.2 | 0 | 0 | 0 | 112.8 | F60 R61 L66 | F60-L64 HydrophobicContact CB-CD1 4.05Å; F60-L64 HydrophobicContact CB-CG 4.43Å; F60-L64 WeakPolarHBondContact O-CG 3.46Å; F60-L64 PolarHBondContact O-N 3.46Å; R61-L64 PolarHBondContact O-N 3Å; L64-L66 HydrophobicContact CB-CD1 4.1Å; L64-L66 HydrophobicContact CB-CG 4.04Å; L64-L66 HydrophobicContact CD1-CD1 4.39Å; L64-L66 PolarHBondContact O-N 3.26Å |
| 65 | G | 57.5 | Low | 60.6 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 71% | 0.711 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 22.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R61 L63 | R61-G65 PolarHBondContact O-N 3.16Å; R61-G65 VanDerWaalsContact O-N 3.07Å; L63-G65 VanDerWaalsContact C-N 3.35Å |
| 66 | L | 56.6 | Low | 59.9 | Low | 105 Ų | 105 | 105.7 Ų | 105.7 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -86.8 | 138.3 | -179.6 | -64.6 | 175.2 | 0 | 0 | 0 | 109.9 | R61 L64 | R61-L66 PolarHBondContact O-N 3.29Å; L64-L66 HydrophobicContact CB-CD1 4.1Å; L64-L66 HydrophobicContact CB-CG 4.04Å; L64-L66 HydrophobicContact CD1-CD1 4.39Å; L64-L66 PolarHBondContact O-N 3.26Å |
| 67 | P | 57.3 | Low | 58.8 | Low | 94 Ų | 94 | 113.5 Ų | 113.5 | 61% | 0.61 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 146.9 | 171.2 | 25.4 | -32.4 | 0 | 0 | 0 | 109.4 | A69 D71 | P67-A69 PolarHBondContact O-N 3.43Å; P67-D71 HydrophobicContact CB-CB 4.39Å |
| 68 | D | 60.4 | Low | 58.4 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 38% | 0.38 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 140.4 | 177 | -110.1 | -57.5 | 0 | 0 | 0 | 108.6 | R61 D70 D71 | R61-D68 IonicContact CZ-OD1 3.97Å; R61-D68 IonicContact NH1-OD1 3.04Å; R61-D68 PolarHBondContact NH1-OD1 3.25Å; D68-D70 PolarHBondContact O-N 2.77Å; D68-D71 WeakPolarHBondContact O-CA 3.22Å; D68-D71 VanDerWaalsContact O-CB 3.22Å; D68-D71 WeakPolarHBondContact O-CB 3.49Å; D68-D71 PolarHBondContact O-N 3.41Å |
| 69 | A | 59.6 | Low | 57.8 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -3.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | R61 P67 D71 | R61-A69 VanDerWaalsContact CZ-CB 3.46Å; R61-A69 VanDerWaalsContact CZ-N 3.28Å; R61-A69 VanDerWaalsContact NH1-N 3.18Å; P67-A69 PolarHBondContact O-N 3.43Å; A69-D71 VanDerWaalsContact C-N 3.33Å |
| 70 | D | 54.4 | Low | 56.9 | Low | 131 Ų | 131 | 112.3 Ų | 112.3 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -9.1 | 167.8 | -64.8 | -71.5 | 0 | 0 | 0 | 112.2 | D68 D72 | D68-D70 PolarHBondContact O-N 2.77Å; D70-D72 VanDerWaalsContact C-N 3.31Å |
| 71 | D | 54.2 | Low | 56.8 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 7.3 | 176.7 | -118.2 | -45 | 0 | 0 | 0 | 113.1 | P67 D68 A69 A73 | P67-D71 HydrophobicContact CB-CB 4.39Å; D68-D71 WeakPolarHBondContact O-CA 3.22Å; D68-D71 VanDerWaalsContact O-CB 3.22Å; D68-D71 WeakPolarHBondContact O-CB 3.49Å; D68-D71 PolarHBondContact O-N 3.41Å; A69-D71 VanDerWaalsContact C-N 3.33Å; D71-A73 VanDerWaalsContact C-N 3.3Å |
| 72 | D | 55.7 | Low | 56.2 | Low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 17.3 | 166.9 | -93.1 | -63.7 | 0 | 0 | 0 | 111.8 | D70 F74 | D70-D72 VanDerWaalsContact C-N 3.31Å; D72-F74 VanDerWaalsContact C-N 3.26Å; D72-F74 PolarHBondContact O-N 2.91Å; D72-F74 VanDerWaalsContact O-N 3.08Å |
| 73 | A | 59.5 | Low | 55.2 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -85.4 | 67.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D71 | D71-A73 VanDerWaalsContact C-N 3.3Š|
| 74 | F | 42.7 | Very low | 54.3 | Low | 161 Ų | 161 | 128.6 Ų | 128.6 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | 55.6 | 101.2 | 163 | -163.7 | -108.5 | 0 | 0 | 0 | 115.5 | D72 E76 | D72-F74 VanDerWaalsContact C-N 3.26Å; D72-F74 PolarHBondContact O-N 2.91Å; D72-F74 VanDerWaalsContact O-N 3.08Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 HydrophobicContact CD1-CB 3.94Å; F74-E76 VanDerWaalsContact CE1-CA 3.47Å; F74-E76 HydrophobicContact CE1-CB 3.95Å; F74-E76 HydrophobicContact CE1-CG 4.12Å; F74-E76 PolarHBondContact O-N 3.08Å | ||
| 75 | E | 53.8 | Low | 53.5 | Low | 195 Ų | 195 | 132.1 Ų | 132.1 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -60.2 | 101.5 | 151.7 | -79.2 | -166.4 | 164.9 | 0 | 0 | 107.7 | Y77 | E75-Y77 PolarHBondContact O-N 3Š| ||
| 76 | E | 52.1 | Low | 53.3 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -60.2 | 107.7 | 172.2 | -174.6 | 173.7 | 164.6 | 0 | 0 | 108.7 | F74 S78 | F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 HydrophobicContact CD1-CB 3.94Å; F74-E76 VanDerWaalsContact CE1-CA 3.47Å; F74-E76 HydrophobicContact CE1-CB 3.95Å; F74-E76 HydrophobicContact CE1-CG 4.12Å; F74-E76 PolarHBondContact O-N 3.08Å; E76-S78 PolarHBondContact O-N 2.81Å | ||
| 77 | Y | 53 | Low | 53 | Low | 196 Ų | 196 | 138.6 Ų | 138.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -45 | 94.8 | 172.2 | -173.4 | -105.7 | 0 | 0 | 0 | 110.6 | E75 A79 | E75-Y77 PolarHBondContact O-N 3Å; Y77-A79 VanDerWaalsContact C-N 3.26Å; Y77-A79 HydrophobicContact CD1-CB 3.75Å; Y77-A79 HydrophobicContact CE1-CB 3.47Å; Y77-A79 VanDerWaalsContact CE1-CB 3.47Å; Y77-A79 PolarHBondContact O-N 2.89Å | ||
| 78 | S | 56.8 | Low | 53 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -78.5 | 89.2 | 163.8 | -63.9 | 0 | 0 | 0 | 0 | 106.7 | E76 D80 | E76-S78 PolarHBondContact O-N 2.81Å; S78-D80 PolarHBondContact O-N 3.05Å | ||
| 79 | A | 54.3 | Low | 52.5 | Low | 61 Ų | 61 | 142.3 Ų | 142.3 | 50% | 0.504 | 76% | 0.76 | S | S | . | * | trans | -61.6 | 82.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y77 V81 | Y77-A79 VanDerWaalsContact C-N 3.26Å; Y77-A79 HydrophobicContact CD1-CB 3.75Å; Y77-A79 HydrophobicContact CE1-CB 3.47Å; Y77-A79 VanDerWaalsContact CE1-CB 3.47Å; Y77-A79 PolarHBondContact O-N 2.89Å; A79-V81 PolarHBondContact O-N 3.06Å | ||
| 80 | D | 49.2 | Very low | 52.4 | Low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -80.6 | 84.3 | 166 | -149.4 | -111.8 | 0 | 0 | 0 | 107.5 | S78 | S78-D80 PolarHBondContact O-N 3.05Š| ||
| 81 | V | 61.7 | Low | 52.6 | Low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -93.7 | 95.3 | 160.3 | 172.9 | 0 | 0 | 0 | 0 | 105.8 | A79 | A79-V81 PolarHBondContact O-N 3.06Š| ||
| 82 | E | 51.5 | Low | 52.8 | Low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -176.4 | 120.5 | 156.5 | -102.7 | 173.7 | 93.9 | 0 | 0 | 104.2 | ||||
| 83 | E | 42.2 | Very low | 52.6 | Low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | -143.2 | 136.2 | 57.1 | -71.4 | -177.9 | 104 | 0 | 0 | 112.3 | E85 | E83-E85 PolarHBondContact O-N 3.36Š| |||
| 84 | E | 43.6 | Very low | 52.7 | Low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -60 | 109.1 | 160.1 | 178.7 | -176.8 | 101.3 | 0 | 0 | 109.6 | ||||
| 85 | E | 46.7 | Very low | 53.6 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 130.5 | 161.6 | -76.9 | -154 | 119.2 | 0 | 0 | 109.1 | E83 | E83-E85 PolarHBondContact O-N 3.36Š| ||
| 86 | P | 52.8 | Low | 53.8 | Low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 145.3 | -171.8 | 28.7 | -34.3 | 0 | 0 | 0 | 111.9 | A88 | P86-A88 PolarHBondContact O-N 3.42Š| ||
| 87 | E | 51.6 | Low | 53.7 | Low | 199 Ų | 199 | 145.8 Ų | 145.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -35.5 | 125.7 | 178.9 | -69.8 | 177.8 | 85.8 | 0 | 0 | 114.6 | ||||
| 88 | A | 56.2 | Low | 53.9 | Low | 100 Ų | 100 | 149.5 Ų | 149.5 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -120.1 | 91.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | P86 | P86-A88 PolarHBondContact O-N 3.42Š| ||
| 89 | D | 50.6 | Low | 53.7 | Low | 142 Ų | 142 | 151.4 Ų | 151.4 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | 55.8 | 111.3 | 146.7 | -146.9 | -102.6 | 0 | 0 | 0 | 117.4 | P91 | D89-P91 WeakPolarHBondContact O-CD 2.93Š| ||
| 90 | H | 58.5 | Low | 53.7 | Low | 184 Ų | 184 | 156.2 Ų | 156.2 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | -86.1 | 99 | 173.4 | -141.3 | -124.3 | 0 | 0 | 0 | 108.7 | Q92 | H90-Q92 VanDerWaalsContact C-N 3.29Å; H90-Q92 PolarHBondContact O-N 2.9Å | ||
| 91 | P | 56.9 | Low | 54 | Low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 84% | 0.839 | S | S | * | * | trans | -74.6 | 91.3 | 166.7 | 29 | -33.6 | 0 | 0 | 0 | 109.1 | D89 M93 | D89-P91 WeakPolarHBondContact O-CD 2.93Å; P91-M93 PolarHBondContact O-N 3.05Å | ||
| 92 | Q | 58.3 | Low | 53.5 | Low | 175 Ų | 175 | 158.5 Ų | 158.5 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -63 | 96.8 | 159 | -178.4 | -171.6 | -103.6 | 0 | 0 | 108.7 | H90 | H90-Q92 VanDerWaalsContact C-N 3.29Å; H90-Q92 PolarHBondContact O-N 2.9Å | ||
| 93 | M | 52.9 | Low | 53.6 | Low | 165 Ų | 165 | 157.8 Ų | 157.8 | 81% | 0.813 | 85% | 0.846 | S | S | * | * | trans | -112.2 | 91.2 | 163.5 | -75 | -73.7 | -82.8 | 0 | 0 | 108.7 | P91 V95 | P91-M93 PolarHBondContact O-N 3.05Å; M93-V95 PolarHBondContact O-N 3.3Å | ||
| 94 | G | 60.9 | Low | 54.4 | Low | 73 Ų | 73 | 155.6 Ų | 155.6 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | -62.2 | 118.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | V | 61.1 | Low | 55.2 | Low | 139 Ų | 139 | 153.4 Ų | 153.4 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | trans | -97.4 | 109.8 | 158.6 | 159.8 | 0 | 0 | 0 | 0 | 107.4 | M93 | M93-V95 PolarHBondContact O-N 3.3Š| ||
| 96 | S | 58.5 | Low | 55.8 | Low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -58 | 149.5 | 172.4 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | Q | 50.3 | Low | 56.1 | Low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -46.6 | 136.4 | 168.3 | -68.2 | 174.8 | 76.1 | 0 | 0 | 112.7 | ||||
| 98 | Q | 57 | Low | 56.5 | Low | 275 Ų | 275 | 150.2 Ų | 150.2 | 100% | 1.285 | 84% | 0.842 | S | S | * | * | trans | -145 | 0 | 142 | -81.3 | -162.3 | -42.9 | 0 | 0 | 109.8 |
Retrieved 98 of 98 residues in 16 ms
(Link to these results)