| 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 | 48.2 | Very low | 47.4 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 100% | 1.172 | 72% | 0.718 | S | S | * | * | 0 | 11.6 | 0 | -117.8 | 174.3 | 169.6 | 0 | 0 | 115.2 | |||||
| 2 | M | 47.4 | Very low | 47.6 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -124.9 | -32.7 | 174.4 | -89.3 | 179 | 136.7 | 0 | 0 | 115.5 | H4 | M2-H4 PolarHBondContact O-N 3.38Š| ||
| 3 | W | 47.5 | Very low | 47.7 | Very low | 229 Ų | 229 | 141.5 Ų | 141.5 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -70.7 | -31.7 | -175.4 | -69.9 | 98.1 | 0 | 0 | 0 | 114.7 | L5 | W3-L5 VanDerWaalsContact C-N 3.33Å; W3-L5 PolarHBondContact O-N 3.46Å |
| 4 | H | 45 | Very low | 48.3 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.2 | -24.8 | -177.9 | -86.1 | -66.1 | 0 | 0 | 0 | 114.4 | M2 | M2-H4 PolarHBondContact O-N 3.38Å |
| 5 | L | 43.2 | Very low | 48.8 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -79.2 | -33.7 | -179.2 | -87.4 | 158.7 | 0 | 0 | 0 | 112.7 | W3 V7 Q8 L9 | W3-L5 VanDerWaalsContact C-N 3.33Å; W3-L5 PolarHBondContact O-N 3.46Å; L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.35Å; L5-Q8 PolarHBondContact O-N 3.4Å; L5-L9 PolarHBondContact O-N 3.47Å |
| 6 | V | 48.2 | Very low | 49.4 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.1 | -34.2 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 7 | V | 49.8 | Very low | 50 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.2 | -32.5 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | L5 | L5-V7 VanDerWaalsContact C-N 3.34Å; L5-V7 PolarHBondContact O-N 3.35Å |
| 8 | Q | 47.4 | Very low | 50.7 | Low | 133 Ų | 133 | 135.2 Ų | 135.2 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.2 | -23.8 | 178.9 | -76.2 | -175.7 | -46.1 | 0 | 0 | 113.8 | L5 G10 V11 | L5-Q8 PolarHBondContact O-N 3.4Å; Q8-G10 VanDerWaalsContact C-N 3.25Å; Q8-G10 PolarHBondContact O-N 3.43Å; Q8-V11 PolarHBondContact O-N 3.4Å |
| 9 | L | 51.6 | Low | 51.2 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.1 | -24.1 | 175 | -72.5 | 166.4 | 0 | 0 | 0 | 112.8 | L5 V11 F12 | L5-L9 PolarHBondContact O-N 3.47Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 3.33Å; L9-F12 PolarHBondContact O-N 3.43Å |
| 10 | G | 45 | Very low | 51.6 | Low | 54 Ų | 54 | 133.2 Ų | 133.2 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -25.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q8 | Q8-G10 VanDerWaalsContact C-N 3.25Å; Q8-G10 PolarHBondContact O-N 3.43Å |
| 11 | V | 48.6 | Very low | 52.2 | Low | 100 Ų | 100 | 131.2 Ų | 131.2 | 61% | 0.606 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -18.6 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | Q8 L9 | Q8-V11 PolarHBondContact O-N 3.4Å; L9-V11 VanDerWaalsContact C-N 3.26Å; L9-V11 PolarHBondContact O-N 3.33Å |
| 12 | F | 49.7 | Very low | 53 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -2.6 | -176.5 | -96 | -82.4 | 0 | 0 | 0 | 115.2 | L9 P15 | L9-F12 PolarHBondContact O-N 3.43Å; F12-P15 WeakPolarHBondContact O-CD 3.4Å |
| 13 | Q | 48.7 | Very low | 53.6 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -12.8 | 178.9 | -76.1 | -168.7 | -19.7 | 0 | 0 | 114.9 | ||
| 14 | E | 55.7 | Low | 54.6 | Low | 136 Ų | 136 | 120.3 Ų | 120.3 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -39.4 | 179.5 | -76.1 | 171.6 | 149.3 | 0 | 0 | 115.5 | A16 R17 Q18 | E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.46Å; E14-R17 PolarHBondContact O-N 3Å; E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.32Å |
| 15 | P | 55.6 | Low | 55.6 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.7 | -33.9 | -177.7 | 23.1 | -32.4 | 0 | 0 | 0 | 113.1 | F12 A19 | F12-P15 WeakPolarHBondContact O-CD 3.4Å; P15-A19 VanDerWaalsContact O-CB 3.25Å; P15-A19 WeakPolarHBondContact O-CB 3.47Å; P15-A19 PolarHBondContact O-N 3.17Å |
| 16 | A | 58.3 | Low | 56.7 | Low | 72 Ų | 72 | 118.2 Ų | 118.2 | 60% | 0.595 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E14 R20 | E14-A16 VanDerWaalsContact C-N 3.34Å; E14-A16 PolarHBondContact O-N 3.46Å; A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 PolarHBondContact O-N 2.93Å |
| 17 | R | 59.9 | Low | 57.9 | Low | 193 Ų | 193 | 116.2 Ų | 116.2 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.1 | -44.5 | 177.7 | -142.2 | 176 | -171.6 | 174.2 | 1.9 | 110.7 | E14 A19 R20 D21 | E14-R17 PolarHBondContact O-N 3Å; R17-A19 PolarHBondContact O-N 3.34Å; R17-R20 PolarHBondContact O-N 2.93Å; R17-D21 PolarHBondContact O-N 3.34Å |
| 18 | Q | 62.2 | Low | 58.8 | Low | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.3 | -39.8 | 177.9 | -164.6 | 174.6 | 10.7 | 0 | 0 | 112.5 | E14 R20 D21 Q22 | E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.32Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 2.98Å; Q18-D21 PolarHBondContact O-N 3.48Å; Q18-Q22 WeakPolarHBondContact O-CB 3.31Å; Q18-Q22 VanDerWaalsContact O-CG 3.31Å; Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 2.9Å |
| 19 | A | 60.9 | Low | 59.9 | Low | 49 Ų | 49 | 112.8 Ų | 112.8 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P15 R17 Q22 M23 | P15-A19 VanDerWaalsContact O-CB 3.25Å; P15-A19 WeakPolarHBondContact O-CB 3.47Å; P15-A19 PolarHBondContact O-N 3.17Å; R17-A19 PolarHBondContact O-N 3.34Å; A19-Q22 PolarHBondContact O-N 3.4Å; A19-M23 PolarHBondContact O-N 3.48Å |
| 20 | R | 59.7 | Low | 60.5 | Low | 181 Ų | 181 | 111.1 Ų | 111.1 | 68% | 0.683 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 176.8 | -158 | 179.2 | -157.2 | -169.4 | 5.1 | 111.9 | A16 R17 Q18 M23 H24 | A16-R20 WeakPolarHBondContact O-CB 3.42Å; A16-R20 PolarHBondContact O-N 2.93Å; R17-R20 PolarHBondContact O-N 2.93Å; Q18-R20 VanDerWaalsContact C-N 3.33Å; Q18-R20 PolarHBondContact O-N 2.98Å; R20-M23 PolarHBondContact O-N 3.18Å; R20-H24 PolarHBondContact O-N 3.01Å |
| 21 | D | 64.9 | Low | 61.5 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -37.2 | 177.1 | -67.3 | -21.3 | 0 | 0 | 0 | 111.5 | R17 Q18 H24 N25 | R17-D21 PolarHBondContact O-N 3.34Å; Q18-D21 PolarHBondContact O-N 3.48Å; D21-H24 PolarHBondContact O-N 3.42Å; D21-N25 WeakPolarHBondContact O-CB 3.22Å; D21-N25 PolarHBondContact O-N 2.91Å; D21-N25 PolarHBondContact O-ND2 3.49Å |
| 22 | Q | 64.7 | Low | 62.3 | Low | 126 Ų | 126 | 115.7 Ų | 115.7 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.1 | -43.4 | 172.4 | -77.6 | -179.2 | -5.7 | 0 | 0 | 112.1 | Q18 A19 F26 | Q18-Q22 WeakPolarHBondContact O-CB 3.31Å; Q18-Q22 VanDerWaalsContact O-CG 3.31Å; Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 2.9Å; A19-Q22 PolarHBondContact O-N 3.4Å; Q22-F26 VanDerWaalsContact O-CB 3.32Å; Q22-F26 WeakPolarHBondContact O-CB 3.32Å; Q22-F26 PolarHBondContact O-N 2.95Å |
| 23 | M | 60.3 | Low | 63.2 | Low | 151 Ų | 151 | 114.1 Ų | 114.1 | 74% | 0.744 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.1 | -42.2 | 175.3 | -79.8 | -168.7 | 169.9 | 0 | 0 | 112.3 | A19 R20 F26 S27 | A19-M23 PolarHBondContact O-N 3.48Å; R20-M23 PolarHBondContact O-N 3.18Å; M23-F26 PolarHBondContact O-N 2.93Å; M23-S27 WeakPolarHBondContact O-CB 3.42Å; M23-S27 PolarHBondContact O-N 3.41Å |
| 24 | H | 67.1 | Low | 63.9 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 177.5 | -106.5 | -67.6 | 0 | 0 | 0 | 112.2 | R20 D21 F26 S27 L28 | R20-H24 PolarHBondContact O-N 3.01Å; D21-H24 PolarHBondContact O-N 3.42Å; H24-F26 VanDerWaalsContact C-N 3.32Å; H24-F26 PolarHBondContact O-N 3.36Å; H24-S27 PolarHBondContact O-N 2.94Å; H24-L28 PolarHBondContact O-N 3.41Å |
| 25 | N | 65.4 | Low | 64.4 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 176.4 | -75.3 | -22.2 | 0 | 0 | 0 | 111.7 | D21 L28 I29 | D21-N25 WeakPolarHBondContact O-CB 3.22Å; D21-N25 PolarHBondContact O-N 2.91Å; D21-N25 PolarHBondContact O-ND2 3.49Å; N25-L28 PolarHBondContact O-N 3.31Å; N25-I29 WeakPolarHBondContact O-CD1 3.45Å; N25-I29 WeakPolarHBondContact O-CG1 3.33Å; N25-I29 PolarHBondContact O-N 3.39Å |
| 26 | F | 67.3 | Low | 64.8 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 176.6 | -164.4 | -91.9 | 0 | 0 | 0 | 112.1 | Q22 M23 H24 L28 I29 M30 | Q22-F26 VanDerWaalsContact O-CB 3.32Å; Q22-F26 WeakPolarHBondContact O-CB 3.32Å; Q22-F26 PolarHBondContact O-N 2.95Å; M23-F26 PolarHBondContact O-N 2.93Å; H24-F26 VanDerWaalsContact C-N 3.32Å; H24-F26 PolarHBondContact O-N 3.36Å; F26-L28 PolarHBondContact O-N 3.45Å; F26-I29 PolarHBondContact O-N 2.92Å; F26-M30 HydrophobicContact CD1-CG 3.88Å; F26-M30 HydrophobicContact CE1-CG 3.62Å; F26-M30 HydrophobicContact CE1-SD 4.23Å; F26-M30 HydrophobicContact CZ-CG 4.26Å; F26-M30 HydrophobicContact CZ-SD 4.42Å; F26-M30 WeakPolarHBondContact O-CB 3.37Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 3.01Å |
| 27 | S | 73.1 | Confident | 65 | Low | 61 Ų | 61 | 109 Ų | 109 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | M23 H24 M30 E31 | M23-S27 WeakPolarHBondContact O-CB 3.42Å; M23-S27 PolarHBondContact O-N 3.41Å; H24-S27 PolarHBondContact O-N 2.94Å; S27-M30 PolarHBondContact O-N 3.31Å; S27-E31 PolarHBondContact O-N 2.94Å |
| 28 | L | 68.7 | Low | 65.1 | Low | 84 Ų | 84 | 107 Ų | 107 | 44% | 0.44 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.6 | -121 | 155.3 | 0 | 0 | 0 | 112 | H24 N25 F26 M30 E31 M32 | H24-L28 PolarHBondContact O-N 3.41Å; N25-L28 PolarHBondContact O-N 3.31Å; F26-L28 PolarHBondContact O-N 3.45Å; L28-M30 VanDerWaalsContact C-N 3.34Å; L28-M30 PolarHBondContact O-N 2.87Å; L28-E31 PolarHBondContact O-N 2.96Å; L28-M32 HydrophobicContact CD2-CE 3.62Å; L28-M32 WeakPolarHBondContact O-CB 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.32Å; L28-M32 PolarHBondContact O-N 3.42Å |
| 29 | I | 70.8 | Confident | 65.4 | Low | 87 Ų | 87 | 106 Ų | 106 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.6 | -68 | 164.2 | 0 | 0 | 0 | 110.8 | N25 F26 K33 | N25-I29 WeakPolarHBondContact O-CD1 3.45Å; N25-I29 WeakPolarHBondContact O-CG1 3.33Å; N25-I29 PolarHBondContact O-N 3.39Å; F26-I29 PolarHBondContact O-N 2.92Å; I29-K33 HydrophobicContact CG2-CD 4.22Å; I29-K33 WeakPolarHBondContact O-CB 3.36Å; I29-K33 WeakPolarHBondContact O-CG 3.49Å; I29-K33 PolarHBondContact O-N 2.88Å |
| 30 | M | 64.6 | Low | 65.6 | Low | 83 Ų | 83 | 108 Ų | 108 | 41% | 0.409 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 177.7 | -75 | -65.5 | -72.4 | 0 | 0 | 111.8 | F26 S27 L28 K33 I34 | F26-M30 HydrophobicContact CD1-CG 3.88Å; F26-M30 HydrophobicContact CE1-CG 3.62Å; F26-M30 HydrophobicContact CE1-SD 4.23Å; F26-M30 HydrophobicContact CZ-CG 4.26Å; F26-M30 HydrophobicContact CZ-SD 4.42Å; F26-M30 WeakPolarHBondContact O-CB 3.37Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 3.01Å; S27-M30 PolarHBondContact O-N 3.31Å; L28-M30 VanDerWaalsContact C-N 3.34Å; L28-M30 PolarHBondContact O-N 2.87Å; M30-K33 PolarHBondContact O-N 3.5Å; M30-I34 WeakPolarHBondContact O-CB 3.44Å; M30-I34 WeakPolarHBondContact O-CD1 3.4Å; M30-I34 VanDerWaalsContact O-CG1 3.24Å; M30-I34 WeakPolarHBondContact O-CG1 3.32Å; M30-I34 PolarHBondContact O-N 3.25Å |
| 31 | E | 65.5 | Low | 65.7 | Low | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 174.6 | -81.6 | -173 | 159.9 | 0 | 0 | 112.3 | S27 L28 K33 I34 T35 | S27-E31 PolarHBondContact O-N 2.94Å; L28-E31 PolarHBondContact O-N 2.96Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.46Å; E31-I34 PolarHBondContact O-N 3.39Å; E31-T35 WeakPolarHBondContact O-CB 3.49Å; E31-T35 PolarHBondContact O-N 3.43Å; E31-T35 PolarHBondContact O-OG1 3.36Å |
| 32 | M | 64.7 | Low | 65.8 | Low | 127 Ų | 127 | 103 Ų | 103 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 175.3 | -74.4 | -177.5 | -179.6 | 0 | 0 | 111.4 | L28 T35 S36 | L28-M32 HydrophobicContact CD2-CE 3.62Å; L28-M32 WeakPolarHBondContact O-CB 3.24Å; L28-M32 WeakPolarHBondContact O-CG 3.32Å; L28-M32 PolarHBondContact O-N 3.42Å; M32-T35 PolarHBondContact O-N 2.81Å; M32-S36 WeakPolarHBondContact O-CB 3.4Å; M32-S36 PolarHBondContact O-N 3.26Å; M32-S36 PolarHBondContact O-OG 2.77Å |
| 33 | K | 68.3 | Low | 65.8 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.4 | -79 | -179.3 | 178 | -177.3 | 0 | 111.7 | I29 M30 E31 T35 S36 L37 | I29-K33 HydrophobicContact CG2-CD 4.22Å; I29-K33 WeakPolarHBondContact O-CB 3.36Å; I29-K33 WeakPolarHBondContact O-CG 3.49Å; I29-K33 PolarHBondContact O-N 2.88Å; M30-K33 PolarHBondContact O-N 3.5Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.46Å; K33-T35 VanDerWaalsContact C-N 3.34Å; K33-T35 PolarHBondContact O-N 2.88Å; K33-S36 PolarHBondContact O-N 2.97Å; K33-S36 PolarHBondContact O-OG 2.89Å; K33-L37 WeakPolarHBondContact O-CB 3.34Å; K33-L37 PolarHBondContact O-N 3.47Å |
| 34 | I | 65.1 | Low | 66 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.4 | -67.8 | 163.6 | 0 | 0 | 0 | 110.9 | M30 E31 L37 K38 | M30-I34 WeakPolarHBondContact O-CB 3.44Å; M30-I34 WeakPolarHBondContact O-CD1 3.4Å; M30-I34 VanDerWaalsContact O-CG1 3.24Å; M30-I34 WeakPolarHBondContact O-CG1 3.32Å; M30-I34 PolarHBondContact O-N 3.25Å; E31-I34 PolarHBondContact O-N 3.39Å; I34-L37 PolarHBondContact O-N 3.4Å; I34-K38 HydrophobicContact CG2-CD 4.39Å; I34-K38 WeakPolarHBondContact O-CG 3.49Å; I34-K38 PolarHBondContact O-N 2.93Å |
| 35 | T | 65.1 | Low | 66 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | E31 M32 K33 L37 K38 I39 | E31-T35 WeakPolarHBondContact O-CB 3.49Å; E31-T35 PolarHBondContact O-N 3.43Å; E31-T35 PolarHBondContact O-OG1 3.36Å; M32-T35 PolarHBondContact O-N 2.81Å; K33-T35 VanDerWaalsContact C-N 3.34Å; K33-T35 PolarHBondContact O-N 2.88Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 2.98Å; T35-K38 PolarHBondContact O-N 3.14Å; T35-I39 HydrophobicContact CG2-CD1 4.2Å; T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 3.42Å |
| 36 | S | 65.1 | Low | 66.2 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 175.8 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | M32 K33 I39 L40 | M32-S36 WeakPolarHBondContact O-CB 3.4Å; M32-S36 PolarHBondContact O-N 3.26Å; M32-S36 PolarHBondContact O-OG 2.77Å; K33-S36 PolarHBondContact O-N 2.97Å; K33-S36 PolarHBondContact O-OG 2.89Å; S36-I39 PolarHBondContact O-N 3.39Å; S36-L40 WeakPolarHBondContact O-CB 3.36Å; S36-L40 PolarHBondContact O-N 3.45Å |
| 37 | L | 61.4 | Low | 66.3 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.5 | -123 | 85.6 | 0 | 0 | 0 | 110.9 | K33 I34 T35 I39 L40 F41 | K33-L37 WeakPolarHBondContact O-CB 3.34Å; K33-L37 PolarHBondContact O-N 3.47Å; I34-L37 PolarHBondContact O-N 3.4Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 2.98Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 3.02Å; L37-F41 HydrophobicContact CD2-CD2 4.27Å; L37-F41 HydrophobicContact CD2-CE2 3.77Å; L37-F41 HydrophobicContact CG-CD2 4.19Å; L37-F41 HydrophobicContact CG-CE2 3.97Å; L37-F41 VanDerWaalsContact O-CD2 3.26Å; L37-F41 WeakPolarHBondContact O-CD2 3.37Å; L37-F41 PolarHBondContact O-N 3.26Å |
| 38 | K | 62.1 | Low | 66.3 | Low | 150 Ų | 150 | 101.8 Ų | 101.8 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 177.6 | -77.1 | 178.9 | 179.1 | -179.2 | 0 | 111.7 | I34 T35 G42 | I34-K38 HydrophobicContact CG2-CD 4.39Å; I34-K38 WeakPolarHBondContact O-CG 3.49Å; I34-K38 PolarHBondContact O-N 2.93Å; T35-K38 PolarHBondContact O-N 3.14Å; K38-G42 PolarHBondContact O-N 3.2Å |
| 39 | I | 69.1 | Low | 66.3 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.2 | -65.9 | 163.6 | 0 | 0 | 0 | 110.5 | T35 S36 L37 G42 M43 | T35-I39 HydrophobicContact CG2-CD1 4.2Å; T35-I39 WeakPolarHBondContact O-CG1 3.48Å; T35-I39 PolarHBondContact O-N 3.42Å; S36-I39 PolarHBondContact O-N 3.39Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 PolarHBondContact O-N 2.88Å; I39-G42 PolarHBondContact O-N 3.22Å; I39-M43 HydrophobicContact CG2-CE 4.27Å; I39-M43 HydrophobicContact CG2-CG 4.38Å; I39-M43 WeakPolarHBondContact O-CB 3.46Å; I39-M43 WeakPolarHBondContact O-CG 3.38Å; I39-M43 PolarHBondContact O-N 3.02Å |
| 40 | L | 65.4 | Low | 66.2 | Low | 92 Ų | 92 | 107 Ų | 107 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | -179.6 | -158.4 | 83.7 | 0 | 0 | 0 | 112.2 | S36 L37 R44 | S36-L40 WeakPolarHBondContact O-CB 3.36Å; S36-L40 PolarHBondContact O-N 3.45Å; L37-L40 PolarHBondContact O-N 3.02Å; L40-R44 WeakPolarHBondContact O-CB 3.26Å; L40-R44 WeakPolarHBondContact O-CG 3.45Å; L40-R44 PolarHBondContact O-N 2.82Å; L40-R44 VanDerWaalsContact O-N 3.14Å |
| 41 | F | 62 | Low | 66.3 | Low | 135 Ų | 135 | 105.8 Ų | 105.8 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -40.1 | 176.7 | -82.2 | -70.7 | 0 | 0 | 0 | 112.2 | L37 R44 A45 | L37-F41 HydrophobicContact CD2-CD2 4.27Å; L37-F41 HydrophobicContact CD2-CE2 3.77Å; L37-F41 HydrophobicContact CG-CD2 4.19Å; L37-F41 HydrophobicContact CG-CE2 3.97Å; L37-F41 VanDerWaalsContact O-CD2 3.26Å; L37-F41 WeakPolarHBondContact O-CD2 3.37Å; L37-F41 PolarHBondContact O-N 3.26Å; F41-R44 PolarHBondContact O-N 3.43Å; F41-A45 WeakPolarHBondContact O-CB 3.46Å; F41-A45 PolarHBondContact O-N 2.95Å |
| 42 | G | 65.7 | Low | 66.2 | Low | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K38 I39 R44 A45 E46 | K38-G42 PolarHBondContact O-N 3.2Å; I39-G42 PolarHBondContact O-N 3.22Å; G42-R44 PolarHBondContact O-N 2.96Å; G42-A45 PolarHBondContact O-N 3.41Å; G42-E46 PolarHBondContact O-N 2.95Å |
| 43 | M | 64.8 | Low | 66.2 | Low | 107 Ų | 107 | 109 Ų | 109 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.9 | -70.9 | -153.2 | -61.5 | 0 | 0 | 112.3 | I39 E46 I47 | I39-M43 HydrophobicContact CG2-CE 4.27Å; I39-M43 HydrophobicContact CG2-CG 4.38Å; I39-M43 WeakPolarHBondContact O-CB 3.46Å; I39-M43 WeakPolarHBondContact O-CG 3.38Å; I39-M43 PolarHBondContact O-N 3.02Å; M43-E46 PolarHBondContact O-N 3.45Å; M43-I47 WeakPolarHBondContact O-CD1 3.39Å; M43-I47 VanDerWaalsContact O-CG1 3.23Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.42Å |
| 44 | R | 65.9 | Low | 66.1 | Low | 160 Ų | 160 | 108.6 Ų | 108.6 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 175.5 | -78 | -176.3 | 175.8 | -165.5 | -0 | 111.9 | L40 F41 G42 I47 I48 | L40-R44 WeakPolarHBondContact O-CB 3.26Å; L40-R44 WeakPolarHBondContact O-CG 3.45Å; L40-R44 PolarHBondContact O-N 2.82Å; L40-R44 VanDerWaalsContact O-N 3.14Å; F41-R44 PolarHBondContact O-N 3.43Å; G42-R44 PolarHBondContact O-N 2.96Å; R44-I47 PolarHBondContact O-N 3.41Å; R44-I48 WeakPolarHBondContact O-CB 3.23Å; R44-I48 WeakPolarHBondContact O-CD1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.43Å; R44-I48 PolarHBondContact O-N 2.9Å |
| 45 | A | 66.8 | Low | 66.1 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F41 G42 I48 L49 | F41-A45 WeakPolarHBondContact O-CB 3.46Å; F41-A45 PolarHBondContact O-N 2.95Å; G42-A45 PolarHBondContact O-N 3.41Å; A45-I48 PolarHBondContact O-N 3.31Å; A45-L49 WeakPolarHBondContact O-CB 3.44Å; A45-L49 PolarHBondContact O-N 3.38Å |
| 46 | E | 69.5 | Low | 66 | Low | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 175.7 | -75.6 | -178 | -171.9 | 0 | 0 | 112.1 | G42 M43 I48 L49 Y50 | G42-E46 PolarHBondContact O-N 2.95Å; M43-E46 PolarHBondContact O-N 3.45Å; E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 2.95Å; E46-L49 PolarHBondContact O-N 3.42Å; E46-Y50 VanDerWaalsContact O-CD2 3.26Å; E46-Y50 WeakPolarHBondContact O-CD2 3.22Å; E46-Y50 PolarHBondContact O-N 2.76Å |
| 47 | I | 69.7 | Low | 65.8 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 178.7 | -67.8 | 164.2 | 0 | 0 | 0 | 111.2 | M43 R44 S51 | M43-I47 WeakPolarHBondContact O-CD1 3.39Å; M43-I47 VanDerWaalsContact O-CG1 3.23Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.42Å; R44-I47 PolarHBondContact O-N 3.41Å; I47-S51 WeakPolarHBondContact O-CB 3.38Å; I47-S51 PolarHBondContact O-N 2.89Å; I47-S51 PolarHBondContact O-OG 2.88Å |
| 48 | I | 72.7 | Confident | 66 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 60% | 0.595 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 176.9 | -68.3 | 166 | 0 | 0 | 0 | 110.4 | R44 A45 E46 S51 W52 | R44-I48 WeakPolarHBondContact O-CB 3.23Å; R44-I48 WeakPolarHBondContact O-CD1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.43Å; R44-I48 PolarHBondContact O-N 2.9Å; A45-I48 PolarHBondContact O-N 3.31Å; E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 2.95Å; I48-S51 PolarHBondContact O-N 3.18Å; I48-W52 WeakPolarHBondContact O-CB 3.34Å; I48-W52 PolarHBondContact O-N 2.94Å |
| 49 | L | 68.7 | Low | 66.2 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 179.1 | -166.7 | 76.5 | 0 | 0 | 0 | 111.8 | A45 E46 W52 K53 | A45-L49 WeakPolarHBondContact O-CB 3.44Å; A45-L49 PolarHBondContact O-N 3.38Å; E46-L49 PolarHBondContact O-N 3.42Å; L49-W52 PolarHBondContact O-N 2.96Å; L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 3.25Å |
| 50 | Y | 68.9 | Low | 66.2 | Low | 164 Ų | 164 | 108.3 Ų | 108.3 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 174.8 | -87.6 | -72.1 | 0 | 0 | 0 | 112 | E46 W52 K53 M54 | E46-Y50 VanDerWaalsContact O-CD2 3.26Å; E46-Y50 WeakPolarHBondContact O-CD2 3.22Å; E46-Y50 PolarHBondContact O-N 2.76Å; Y50-W52 VanDerWaalsContact C-N 3.33Å; Y50-W52 PolarHBondContact O-N 3.42Å; Y50-K53 PolarHBondContact O-N 3.44Å; Y50-M54 WeakPolarHBondContact O-CG 3.48Å; Y50-M54 PolarHBondContact O-N 2.91Å |
| 51 | S | 65.9 | Low | 66.4 | Low | 59 Ų | 59 | 112.3 Ų | 112.3 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 178 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | I47 I48 M54 K55 | I47-S51 WeakPolarHBondContact O-CB 3.38Å; I47-S51 PolarHBondContact O-N 2.89Å; I47-S51 PolarHBondContact O-OG 2.88Å; I48-S51 PolarHBondContact O-N 3.18Å; S51-M54 PolarHBondContact O-N 3.34Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.94Å |
| 52 | W | 64 | Low | 66.9 | Low | 173 Ų | 173 | 109.5 Ų | 109.5 | 66% | 0.655 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 176.9 | -167.6 | 60.3 | 0 | 0 | 0 | 111.4 | I48 L49 Y50 M54 K55 T56 | I48-W52 WeakPolarHBondContact O-CB 3.34Å; I48-W52 PolarHBondContact O-N 2.94Å; L49-W52 PolarHBondContact O-N 2.96Å; Y50-W52 VanDerWaalsContact C-N 3.33Å; Y50-W52 PolarHBondContact O-N 3.42Å; W52-M54 VanDerWaalsContact C-N 3.34Å; W52-M54 PolarHBondContact O-N 3.27Å; W52-K55 PolarHBondContact O-N 3.47Å; W52-T56 HydrophobicContact CD2-CG2 4.5Å; W52-T56 WeakPolarHBondContact O-CG2 3.37Å; W52-T56 PolarHBondContact O-N 3.38Å; W52-T56 PolarHBondContact O-OG1 3.06Å |
| 53 | K | 64.4 | Low | 67.4 | Low | 144 Ų | 144 | 112.7 Ų | 112.7 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 175.7 | -170.6 | 176.8 | 179.6 | -179.9 | 0 | 112.9 | L49 Y50 T56 L57 | L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 3.25Å; Y50-K53 PolarHBondContact O-N 3.44Å; K53-T56 WeakPolarHBondContact CA-OG1 3.43Å; K53-T56 PolarHBondContact O-OG1 3.49Å; K53-L57 VanDerWaalsContact O-CB 3.32Å; K53-L57 WeakPolarHBondContact O-CB 3.29Å; K53-L57 PolarHBondContact O-N 2.94Å |
| 54 | M | 65.7 | Low | 68 | Low | 117 Ų | 117 | 111 Ų | 111 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 174.7 | -77.5 | -62.3 | -145.5 | 0 | 0 | 111.6 | Y50 S51 W52 T56 L57 E58 | Y50-M54 WeakPolarHBondContact O-CG 3.48Å; Y50-M54 PolarHBondContact O-N 2.91Å; S51-M54 PolarHBondContact O-N 3.34Å; W52-M54 VanDerWaalsContact C-N 3.34Å; W52-M54 PolarHBondContact O-N 3.27Å; M54-T56 VanDerWaalsContact C-N 3.35Å; M54-T56 PolarHBondContact O-N 3.45Å; M54-L57 PolarHBondContact O-N 3.25Å; M54-E58 WeakPolarHBondContact O-CG 3.32Å; M54-E58 PolarHBondContact O-N 3.03Å |
| 55 | K | 64.9 | Low | 68.9 | Low | 149 Ų | 149 | 109.4 Ų | 109.4 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 177.3 | -75 | 179.8 | 179.4 | -174.8 | 0 | 112.6 | S51 W52 S59 | S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.94Å; W52-K55 PolarHBondContact O-N 3.47Å; K55-S59 VanDerWaalsContact O-CB 3.29Å; K55-S59 WeakPolarHBondContact O-CB 3.42Å; K55-S59 PolarHBondContact O-N 3.01Å |
| 56 | T | 62.6 | Low | 69.7 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 36% | 0.356 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | W52 K53 M54 S59 T60 | W52-T56 HydrophobicContact CD2-CG2 4.5Å; W52-T56 WeakPolarHBondContact O-CG2 3.37Å; W52-T56 PolarHBondContact O-N 3.38Å; W52-T56 PolarHBondContact O-OG1 3.06Å; K53-T56 WeakPolarHBondContact CA-OG1 3.43Å; K53-T56 PolarHBondContact O-OG1 3.49Å; M54-T56 VanDerWaalsContact C-N 3.35Å; M54-T56 PolarHBondContact O-N 3.45Å; T56-S59 PolarHBondContact O-N 3.4Å; T56-T60 WeakPolarHBondContact O-CB 3.47Å; T56-T60 PolarHBondContact O-N 2.91Å; T56-T60 PolarHBondContact O-OG1 3.06Å |
| 57 | L | 61.3 | Low | 70.3 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 178.7 | -165.4 | 74.7 | 0 | 0 | 0 | 112.8 | K53 M54 R61 | K53-L57 VanDerWaalsContact O-CB 3.32Å; K53-L57 WeakPolarHBondContact O-CB 3.29Å; K53-L57 PolarHBondContact O-N 2.94Å; M54-L57 PolarHBondContact O-N 3.25Å; L57-R61 WeakPolarHBondContact O-CB 3.24Å; L57-R61 WeakPolarHBondContact O-CG 3.3Å; L57-R61 PolarHBondContact O-N 2.96Å |
| 58 | E | 65.3 | Low | 71.2 | Confident | 129 Ų | 129 | 111.3 Ų | 111.3 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 175.6 | -74.1 | 178.5 | 176.6 | 0 | 0 | 111.4 | M54 R61 T62 | M54-E58 WeakPolarHBondContact O-CG 3.32Å; M54-E58 PolarHBondContact O-N 3.03Å; E58-R61 PolarHBondContact O-N 2.84Å; E58-T62 WeakPolarHBondContact O-CG2 3.38Å; E58-T62 PolarHBondContact O-N 3.03Å; E58-T62 PolarHBondContact O-OG1 2.95Å |
| 59 | S | 67.8 | Low | 72.1 | Confident | 54 Ų | 54 | 109.8 Ų | 109.8 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | K55 T56 R61 T62 H63 | K55-S59 VanDerWaalsContact O-CB 3.29Å; K55-S59 WeakPolarHBondContact O-CB 3.42Å; K55-S59 PolarHBondContact O-N 3.01Å; T56-S59 PolarHBondContact O-N 3.4Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 3.14Å; S59-T62 PolarHBondContact O-N 3.06Å; S59-T62 PolarHBondContact O-OG1 3.09Å; S59-H63 PolarHBondContact O-CD2 2.89Å; S59-H63 PolarHBondContact O-N 3.18Å; S59-H63 PolarHBondContact OG-CD2 2.95Å |
| 60 | T | 67.8 | Low | 73 | Confident | 92 Ų | 92 | 108.8 Ų | 108.8 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -39 | 178.8 | -57 | 0 | 0 | 0 | 0 | 112.5 | T56 S64 | T56-T60 WeakPolarHBondContact O-CB 3.47Å; T56-T60 PolarHBondContact O-N 2.91Å; T56-T60 PolarHBondContact O-OG1 3.06Å; T60-S64 WeakPolarHBondContact O-CB 3.41Å; T60-S64 PolarHBondContact O-N 2.97Å; T60-S64 PolarHBondContact O-OG 3.38Å |
| 61 | R | 70.4 | Confident | 74 | Confident | 175 Ų | 175 | 105.5 Ų | 105.5 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 176.7 | -83.5 | -179.9 | 153.2 | 176.5 | -5.5 | 113 | L57 E58 S59 S64 F65 | L57-R61 WeakPolarHBondContact O-CB 3.24Å; L57-R61 WeakPolarHBondContact O-CG 3.3Å; L57-R61 PolarHBondContact O-N 2.96Å; E58-R61 PolarHBondContact O-N 2.84Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 3.14Å; R61-S64 PolarHBondContact O-OG 3.24Å; R61-S64 VanDerWaalsContact O-OG 3.06Å; R61-F65 VanDerWaalsContact O-CB 3.3Å; R61-F65 WeakPolarHBondContact O-CB 3.34Å; R61-F65 PolarHBondContact O-N 2.93Å |
| 62 | T | 72.9 | Confident | 75.1 | Confident | 76 Ų | 76 | 106.6 Ų | 106.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 178 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | E58 S59 F65 I66 | E58-T62 WeakPolarHBondContact O-CG2 3.38Å; E58-T62 PolarHBondContact O-N 3.03Å; E58-T62 PolarHBondContact O-OG1 2.95Å; S59-T62 PolarHBondContact O-N 3.06Å; S59-T62 PolarHBondContact O-OG1 3.09Å; T62-F65 PolarHBondContact O-N 3.32Å; T62-I66 WeakPolarHBondContact O-CD1 3.5Å; T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.47Å; T62-I66 PolarHBondContact O-N 3.32Å |
| 63 | H | 74.8 | Confident | 76.4 | Confident | 100 Ų | 100 | 105.5 Ų | 105.5 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 174.8 | -77.1 | -62.2 | 0 | 0 | 0 | 111.9 | S59 F65 I66 F67 | S59-H63 PolarHBondContact O-CD2 2.89Å; S59-H63 PolarHBondContact O-N 3.18Å; S59-H63 PolarHBondContact OG-CD2 2.95Å; H63-F65 VanDerWaalsContact C-N 3.29Å; H63-F65 PolarHBondContact O-N 3.48Å; H63-I66 PolarHBondContact O-N 3.26Å; H63-F67 WeakPolarHBondContact O-CD2 3.07Å; H63-F67 PolarHBondContact O-N 3.47Å |
| 64 | S | 77.5 | Confident | 77.6 | Confident | 71 Ų | 71 | 102.5 Ų | 102.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 179.6 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | T60 R61 F67 F68 | T60-S64 WeakPolarHBondContact O-CB 3.41Å; T60-S64 PolarHBondContact O-N 2.97Å; T60-S64 PolarHBondContact O-OG 3.38Å; R61-S64 PolarHBondContact O-OG 3.24Å; R61-S64 VanDerWaalsContact O-OG 3.06Å; S64-F67 PolarHBondContact O-N 2.92Å; S64-F68 WeakPolarHBondContact O-CB 3.4Å; S64-F68 PolarHBondContact O-N 3.32Å |
| 65 | F | 84.6 | Confident | 78.6 | Confident | 126 Ų | 126 | 102.6 Ų | 102.6 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -44.2 | 175.3 | -176.1 | -106.9 | 0 | 0 | 0 | 112.8 | R61 T62 H63 F67 F68 I69 | R61-F65 VanDerWaalsContact O-CB 3.3Å; R61-F65 WeakPolarHBondContact O-CB 3.34Å; R61-F65 PolarHBondContact O-N 2.93Å; T62-F65 PolarHBondContact O-N 3.32Å; H63-F65 VanDerWaalsContact C-N 3.29Å; H63-F65 PolarHBondContact O-N 3.48Å; F65-F67 VanDerWaalsContact C-N 3.34Å; F65-F67 PolarHBondContact O-N 3Å; F65-F68 WeakPolarHBondContact O-CB 3.36Å; F65-F68 PolarHBondContact O-N 3.24Å; F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.29Å; F65-I69 HydrophobicContact CE1-CG1 4.32Å; F65-I69 HydrophobicContact CE2-CD1 4.35Å; F65-I69 HydrophobicContact CZ-CD1 3.61Å; F65-I69 HydrophobicContact CZ-CG1 4.32Å; F65-I69 WeakPolarHBondContact O-CG1 3.42Å; F65-I69 PolarHBondContact O-N 3.02Å |
| 66 | I | 84.7 | Confident | 79.6 | Confident | 91 Ų | 91 | 100.1 Ų | 100.1 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.3 | -67.6 | 161.1 | 0 | 0 | 0 | 110.5 | T62 H63 F68 I69 L70 | T62-I66 WeakPolarHBondContact O-CD1 3.5Å; T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.47Å; T62-I66 PolarHBondContact O-N 3.32Å; H63-I66 PolarHBondContact O-N 3.26Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.48Å; I66-I69 PolarHBondContact O-N 3.35Å; I66-L70 HydrophobicContact CG2-CD1 4.11Å; I66-L70 WeakPolarHBondContact O-CG 3.41Å; I66-L70 PolarHBondContact O-N 2.96Å |
| 67 | F | 82.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 103.4 Ų | 103.4 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.3 | -80.4 | -65.5 | 0 | 0 | 0 | 112.4 | H63 S64 F65 I69 L70 F71 | H63-F67 WeakPolarHBondContact O-CD2 3.07Å; H63-F67 PolarHBondContact O-N 3.47Å; S64-F67 PolarHBondContact O-N 2.92Å; F65-F67 VanDerWaalsContact C-N 3.34Å; F65-F67 PolarHBondContact O-N 3Å; F67-I69 VanDerWaalsContact C-N 3.34Å; F67-I69 PolarHBondContact O-N 3.17Å; F67-L70 PolarHBondContact O-N 3.27Å; F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.46Å |
| 68 | F | 88.7 | Confident | 81.5 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 176.4 | 179 | -99.9 | 0 | 0 | 0 | 112 | S64 F65 I66 F71 L72 | S64-F68 WeakPolarHBondContact O-CB 3.4Å; S64-F68 PolarHBondContact O-N 3.32Å; F65-F68 WeakPolarHBondContact O-CB 3.36Å; F65-F68 PolarHBondContact O-N 3.24Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.48Å; F68-F71 PolarHBondContact O-N 3.42Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.32Å |
| 69 | I | 90.3 | Very high | 81.8 | Confident | 84 Ų | 84 | 97 Ų | 97 | 43% | 0.431 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.8 | -69.5 | 172 | 0 | 0 | 0 | 111.2 | F65 I66 F67 F71 L72 F73 | F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.29Å; F65-I69 HydrophobicContact CE1-CG1 4.32Å; F65-I69 HydrophobicContact CE2-CD1 4.35Å; F65-I69 HydrophobicContact CZ-CD1 3.61Å; F65-I69 HydrophobicContact CZ-CG1 4.32Å; F65-I69 WeakPolarHBondContact O-CG1 3.42Å; F65-I69 PolarHBondContact O-N 3.02Å; I66-I69 PolarHBondContact O-N 3.35Å; F67-I69 VanDerWaalsContact C-N 3.34Å; F67-I69 PolarHBondContact O-N 3.17Å; I69-F71 VanDerWaalsContact C-N 3.32Å; I69-F71 PolarHBondContact O-N 3.36Å; I69-L72 PolarHBondContact O-N 3.45Å; I69-F73 PolarHBondContact O-N 2.98Å |
| 70 | L | 88.5 | Confident | 82.1 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 178.6 | -73.2 | 171.4 | 0 | 0 | 0 | 111.5 | I66 F67 F73 I74 | I66-L70 HydrophobicContact CG2-CD1 4.11Å; I66-L70 WeakPolarHBondContact O-CG 3.41Å; I66-L70 PolarHBondContact O-N 2.96Å; F67-L70 PolarHBondContact O-N 3.27Å; L70-F73 PolarHBondContact O-N 3.31Å; L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 3.45Å |
| 71 | F | 89.9 | Confident | 81.7 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.5 | 178 | -94.6 | 0 | 0 | 0 | 111.8 | F67 F68 I69 F73 I74 F75 I102 | F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.46Å; F68-F71 PolarHBondContact O-N 3.42Å; I69-F71 VanDerWaalsContact C-N 3.32Å; I69-F71 PolarHBondContact O-N 3.36Å; F71-F73 VanDerWaalsContact C-N 3.29Å; F71-F73 PolarHBondContact O-N 2.93Å; F71-I74 PolarHBondContact O-N 3.37Å; F71-F75 WeakPolarHBondContact O-CB 3.28Å; F71-F75 PolarHBondContact O-N 2.77Å; F71-I102 HydrophobicContact CE2-CG2 3.75Å |
| 72 | L | 88.5 | Confident | 81.1 | Confident | 82 Ų | 82 | 94.2 Ų | 94.2 | 43% | 0.429 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 177.5 | -166.1 | 92.4 | 0 | 0 | 0 | 111.3 | F68 I69 F75 I76 | F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.32Å; I69-L72 PolarHBondContact O-N 3.45Å; L72-F75 PolarHBondContact O-N 2.86Å; L72-I76 HydrophobicContact CD2-CD1 4Å; L72-I76 HydrophobicContact CG-CD1 4.02Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.36Å; L72-I76 PolarHBondContact O-N 3.03Å |
| 73 | F | 91.2 | Very high | 80.4 | Confident | 150 Ų | 150 | 96.4 Ų | 96.4 | 66% | 0.658 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 178.8 | -163.3 | -95.5 | 0 | 0 | 0 | 112 | I69 L70 F71 F75 I76 F77 | I69-F73 PolarHBondContact O-N 2.98Å; L70-F73 PolarHBondContact O-N 3.31Å; F71-F73 VanDerWaalsContact C-N 3.29Å; F71-F73 PolarHBondContact O-N 2.93Å; F73-F75 VanDerWaalsContact C-N 3.33Å; F73-F75 PolarHBondContact O-N 3.43Å; F73-I76 PolarHBondContact O-N 2.93Å; F73-F77 WeakPolarHBondContact O-CB 3.44Å; F73-F77 PolarHBondContact O-N 3.37Å |
| 74 | I | 89.3 | Confident | 79.5 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 42% | 0.415 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.9 | -67.7 | 164.2 | 0 | 0 | 0 | 110.4 | L70 F71 F77 L78 I102 | L70-I74 WeakPolarHBondContact O-CG1 3.35Å; L70-I74 PolarHBondContact O-N 3.45Å; F71-I74 PolarHBondContact O-N 3.37Å; I74-F77 PolarHBondContact O-N 3.47Å; I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.34Å; I74-L78 WeakPolarHBondContact O-CB 3.29Å; I74-L78 VanDerWaalsContact O-CG 3.28Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 2.97Å; I74-I102 HydrophobicContact CG2-CD1 3.78Å |
| 75 | F | 87.5 | Confident | 78.2 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 179.8 | -175.4 | -94.8 | 0 | 0 | 0 | 112.5 | F71 L72 F73 L78 T79 | F71-F75 WeakPolarHBondContact O-CB 3.28Å; F71-F75 PolarHBondContact O-N 2.77Å; L72-F75 PolarHBondContact O-N 2.86Å; F73-F75 VanDerWaalsContact C-N 3.33Å; F73-F75 PolarHBondContact O-N 3.43Å; F75-L78 PolarHBondContact O-N 3.46Å; F75-T79 WeakPolarHBondContact O-CB 3.45Å; F75-T79 PolarHBondContact O-N 3.03Å; F75-T79 PolarHBondContact O-OG1 3.47Å |
| 76 | I | 86.1 | Confident | 76.7 | Confident | 97 Ų | 97 | 93.7 Ų | 93.7 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.1 | -68.5 | 164.9 | 0 | 0 | 0 | 110.2 | L72 F73 L78 T79 F80 | L72-I76 HydrophobicContact CD2-CD1 4Å; L72-I76 HydrophobicContact CG-CD1 4.02Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.36Å; L72-I76 PolarHBondContact O-N 3.03Å; F73-I76 PolarHBondContact O-N 2.93Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.27Å; I76-T79 PolarHBondContact O-N 3.42Å; I76-F80 WeakPolarHBondContact O-CB 3.37Å; I76-F80 PolarHBondContact O-N 3.28Å |
| 77 | F | 85.2 | Confident | 75.2 | Confident | 127 Ų | 127 | 93.9 Ų | 93.9 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 177.5 | 178.5 | -96.7 | 0 | 0 | 0 | 111.8 | F73 I74 F80 S81 | F73-F77 WeakPolarHBondContact O-CB 3.44Å; F73-F77 PolarHBondContact O-N 3.37Å; I74-F77 PolarHBondContact O-N 3.47Å; F77-F80 PolarHBondContact O-N 3.02Å; F77-S81 WeakPolarHBondContact O-CB 3.34Å; F77-S81 PolarHBondContact O-N 2.92Å |
| 78 | L | 77.7 | Confident | 73.8 | Confident | 10 Ų | 10 | 93.2 Ų | 93.2 | 5% | 0.052 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 176.9 | -73.2 | 170.6 | 0 | 0 | 0 | 112.1 | I74 F75 I76 F80 S81 H82 H95 I98 I102 | I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.34Å; I74-L78 WeakPolarHBondContact O-CB 3.29Å; I74-L78 VanDerWaalsContact O-CG 3.28Å; I74-L78 WeakPolarHBondContact O-CG 3.45Å; I74-L78 PolarHBondContact O-N 2.97Å; F75-L78 PolarHBondContact O-N 3.46Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.27Å; L78-F80 PolarHBondContact O-N 3.44Å; L78-S81 PolarHBondContact O-N 3.31Å; L78-H82 WeakPolarHBondContact O-CB 3.41Å; L78-H82 PolarHBondContact O-N 3.28Å; L78-H95 PolarHBondContact O-CE1 2.98Å; L78-I98 HydrophobicContact CD1-CG2 3.73Å; L78-I98 HydrophobicContact CD2-CB 4.07Å; L78-I98 HydrophobicContact CD2-CD1 3.86Å; L78-I98 HydrophobicContact CD2-CG2 3.77Å; L78-I98 HydrophobicContact CG-CG2 4.33Å; L78-I102 HydrophobicContact CD1-CD1 3.39Å |
| 79 | T | 72.4 | Confident | 72.1 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 111 | F75 I76 H82 N83 | F75-T79 WeakPolarHBondContact O-CB 3.45Å; F75-T79 PolarHBondContact O-N 3.03Å; F75-T79 PolarHBondContact O-OG1 3.47Å; I76-T79 PolarHBondContact O-N 3.42Å; T79-H82 PolarHBondContact O-N 2.76Å; T79-N83 WeakPolarHBondContact O-CB 3.36Å; T79-N83 PolarHBondContact O-N 3.44Å |
| 80 | F | 73.8 | Confident | 70.3 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -46.8 | 177 | -175.2 | -98.5 | 0 | 0 | 0 | 112 | I76 F77 L78 H82 N83 N84 | I76-F80 WeakPolarHBondContact O-CB 3.37Å; I76-F80 PolarHBondContact O-N 3.28Å; F77-F80 PolarHBondContact O-N 3.02Å; L78-F80 PolarHBondContact O-N 3.44Å; F80-H82 VanDerWaalsContact C-N 3.26Å; F80-H82 PolarHBondContact O-N 3.38Å; F80-N83 PolarHBondContact O-N 3.31Å; F80-N84 PolarHBondContact O-N 3.48Å |
| 81 | S | 60.1 | Low | 68.7 | Low | 33 Ų | 33 | 96.7 Ų | 96.7 | 23% | 0.231 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 176.1 | 176 | 0 | 0 | 0 | 0 | 111.4 | F77 L78 S85 H95 | F77-S81 WeakPolarHBondContact O-CB 3.34Å; F77-S81 PolarHBondContact O-N 2.92Å; L78-S81 PolarHBondContact O-N 3.31Å; S81-S85 WeakPolarHBondContact O-CA 3.16Å; S81-S85 WeakPolarHBondContact O-CB 3.28Å; S81-S85 PolarHBondContact O-N 2.91Å; S81-H95 VanDerWaalsContact C-NE2 3.26Å; S81-H95 PolarHBondContact O-NE2 2.88Å; S81-H95 PolarHBondContact OG-CE1 3.32Å; S81-H95 PolarHBondContact OG-NE2 2.93Å |
| 82 | H | 56.9 | Low | 67 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 174.6 | -175.8 | 50 | 0 | 0 | 0 | 111.8 | L78 T79 F80 S85 N86 H95 | L78-H82 WeakPolarHBondContact O-CB 3.41Å; L78-H82 PolarHBondContact O-N 3.28Å; T79-H82 PolarHBondContact O-N 2.76Å; F80-H82 VanDerWaalsContact C-N 3.26Å; F80-H82 PolarHBondContact O-N 3.38Å; H82-S85 VanDerWaalsContact O-CB 3.27Å; H82-S85 WeakPolarHBondContact O-CB 3.39Å; H82-S85 PolarHBondContact O-N 3.46Å; H82-N86 PolarHBondContact O-N 2.86Å; H82-N86 VanDerWaalsContact O-N 3.14Å; H82-H95 PolarHBondContact N-CE1 3.26Å; H82-H95 PolarHBondContact N-NE2 2.76Å |
| 83 | N | 58 | Low | 65.6 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 178.1 | -147.9 | 19.1 | 0 | 0 | 0 | 111.7 | T79 F80 | T79-N83 WeakPolarHBondContact O-CB 3.36Å; T79-N83 PolarHBondContact O-N 3.44Å; F80-N83 PolarHBondContact O-N 3.31Å |
| 84 | N | 56.5 | Low | 64.1 | Low | 106 Ų | 106 | 94 Ų | 94 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.7 | -35.2 | 170.5 | -99 | 7.8 | 0 | 0 | 0 | 112.5 | F80 N86 S87 | F80-N84 PolarHBondContact O-N 3.48Å; N84-N86 PolarHBondContact O-N 2.88Å; N84-S87 PolarHBondContact O-N 3.28Å; N84-S87 VanDerWaalsContact O-N 3.16Å; N84-S87 PolarHBondContact O-OG 3.36Å |
| 85 | S | 50.3 | Low | 62.6 | Low | 9 Ų | 9 | 90.8 Ų | 90.8 | 6% | 0.063 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.7 | -23.9 | 178.1 | 159.8 | 0 | 0 | 0 | 0 | 113.8 | S81 H82 S87 N88 T91 | S81-S85 WeakPolarHBondContact O-CA 3.16Å; S81-S85 WeakPolarHBondContact O-CB 3.28Å; S81-S85 PolarHBondContact O-N 2.91Å; H82-S85 VanDerWaalsContact O-CB 3.27Å; H82-S85 WeakPolarHBondContact O-CB 3.39Å; H82-S85 PolarHBondContact O-N 3.46Å; S85-S87 PolarHBondContact O-N 2.89Å; S85-N88 CarbonylContact O-C 3.31Å; S85-N88 VanDerWaalsContact O-C 3.31Å; S85-N88 PolarHBondContact O-N 2.93Å; S85-T91 WeakPolarHBondContact CA-OG1 3.18Å; S85-T91 VanDerWaalsContact CB-CB 3.46Å; S85-T91 WeakPolarHBondContact CB-OG1 3.47Å; S85-T91 VanDerWaalsContact OG-CB 3.26Å; S85-T91 WeakPolarHBondContact OG-CB 3.14Å; S85-T91 PolarHBondContact OG-OG1 3.4Å |
| 86 | N | 53.5 | Low | 61.5 | Low | 126 Ų | 126 | 89.4 Ų | 89.4 | 67% | 0.674 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.1 | 175.3 | -90.2 | -6.7 | 0 | 0 | 0 | 112.5 | H82 N84 | H82-N86 PolarHBondContact O-N 2.86Å; H82-N86 VanDerWaalsContact O-N 3.14Å; N84-N86 PolarHBondContact O-N 2.88Å |
| 87 | S | 52.8 | Low | 60.4 | Low | 94 Ų | 94 | 89.2 Ų | 89.2 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -22.9 | 166.2 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | N84 S85 | N84-S87 PolarHBondContact O-N 3.28Å; N84-S87 VanDerWaalsContact O-N 3.16Å; N84-S87 PolarHBondContact O-OG 3.36Å; S85-S87 PolarHBondContact O-N 2.89Å |
| 88 | N | 52.5 | Low | 59.6 | Low | 98 Ų | 98 | 85.9 Ų | 85.9 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | trans | -129.1 | 102.6 | -169.7 | -67.1 | -5.3 | 0 | 0 | 0 | 111.3 | S85 I90 T91 | S85-N88 CarbonylContact O-C 3.31Å; S85-N88 VanDerWaalsContact O-C 3.31Å; S85-N88 PolarHBondContact O-N 2.93Å; N88-I90 PolarHBondContact O-N 3.3Å; N88-T91 PolarHBondContact O-N 3.05Å; N88-T91 PolarHBondContact O-OG1 3.41Å | ||
| 89 | K | 52.3 | Low | 59.2 | Low | 200 Ų | 200 | 89.7 Ų | 89.7 | 87% | 0.87 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -11.3 | 178.1 | -89.3 | 178.3 | 175.4 | 175.2 | 0 | 116.3 | S92 | K89-S92 PolarHBondContact O-OG 3.41Å; K89-S92 VanDerWaalsContact O-OG 3.07Å |
| 90 | I | 54.3 | Low | 59.3 | Low | 142 Ų | 142 | 92 Ų | 92 | 73% | 0.728 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -29.5 | -178.7 | -60.9 | 175.5 | 0 | 0 | 0 | 111.8 | N88 S92 | N88-I90 PolarHBondContact O-N 3.3Å; I90-S92 PolarHBondContact O-N 3.15Å |
| 91 | T | 53.9 | Low | 59.2 | Low | 36 Ų | 36 | 90.7 Ų | 90.7 | 22% | 0.221 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -77 | -17.8 | -176.8 | 31.4 | 0 | 0 | 0 | 0 | 113.8 | S85 N88 N93 I94 H95 | S85-T91 WeakPolarHBondContact CA-OG1 3.18Å; S85-T91 VanDerWaalsContact CB-CB 3.46Å; S85-T91 WeakPolarHBondContact CB-OG1 3.47Å; S85-T91 VanDerWaalsContact OG-CB 3.26Å; S85-T91 WeakPolarHBondContact OG-CB 3.14Å; S85-T91 PolarHBondContact OG-OG1 3.4Å; N88-T91 PolarHBondContact O-N 3.05Å; N88-T91 PolarHBondContact O-OG1 3.41Å; T91-N93 VanDerWaalsContact C-N 3.3Å; T91-N93 PolarHBondContact O-N 3.05Å; T91-I94 PolarHBondContact O-N 3Å; T91-H95 PolarHBondContact O-CD2 2.88Å; T91-H95 PolarHBondContact O-N 2.84Å |
| 92 | S | 55.3 | Low | 59.8 | Low | 52 Ų | 52 | 91 Ų | 91 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | K89 I90 T96 | K89-S92 PolarHBondContact O-OG 3.41Å; K89-S92 VanDerWaalsContact O-OG 3.07Å; I90-S92 PolarHBondContact O-N 3.15Å; S92-T96 WeakPolarHBondContact O-CG2 3.34Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 PolarHBondContact O-OG1 3.44Å |
| 93 | N | 57.4 | Low | 60.6 | Low | 120 Ų | 120 | 92.7 Ų | 92.7 | 64% | 0.642 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.7 | -37.4 | 177.6 | -79.8 | -3.1 | 0 | 0 | 0 | 112.4 | T91 T96 H97 | T91-N93 VanDerWaalsContact C-N 3.3Å; T91-N93 PolarHBondContact O-N 3.05Å; N93-T96 WeakPolarHBondContact CA-OG1 3.48Å; N93-T96 PolarHBondContact O-OG1 3.41Å; N93-H97 PolarHBondContact O-N 3.31Å |
| 94 | I | 60.4 | Low | 61.5 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 176.6 | -62.5 | 173.1 | 0 | 0 | 0 | 109.7 | T91 H97 I98 | T91-I94 PolarHBondContact O-N 3Å; I94-H97 PolarHBondContact O-N 3.44Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.33Å; I94-I98 WeakPolarHBondContact O-CG1 2.86Å; I94-I98 PolarHBondContact O-N 3.24Å |
| 95 | H | 57.2 | Low | 62.3 | Low | 12 Ų | 12 | 93.9 Ų | 93.9 | 6% | 0.056 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.4 | -84.6 | -65.7 | 0 | 0 | 0 | 113.2 | L78 S81 H82 T91 H97 I98 N99 | L78-H95 PolarHBondContact O-CE1 2.98Å; S81-H95 VanDerWaalsContact C-NE2 3.26Å; S81-H95 PolarHBondContact O-NE2 2.88Å; S81-H95 PolarHBondContact OG-CE1 3.32Å; S81-H95 PolarHBondContact OG-NE2 2.93Å; H82-H95 PolarHBondContact N-CE1 3.26Å; H82-H95 PolarHBondContact N-NE2 2.76Å; T91-H95 PolarHBondContact O-CD2 2.88Å; T91-H95 PolarHBondContact O-N 2.84Å; H95-H97 VanDerWaalsContact C-N 3.29Å; H95-H97 PolarHBondContact O-N 3.49Å; H95-I98 PolarHBondContact O-N 3.48Å; H95-N99 WeakPolarHBondContact O-CB 3.46Å; H95-N99 PolarHBondContact O-N 3.49Å |
| 96 | T | 64.3 | Low | 63.2 | Low | 89 Ų | 89 | 97.4 Ų | 97.4 | 55% | 0.546 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 175.5 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | S92 N93 R100 | S92-T96 WeakPolarHBondContact O-CG2 3.34Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 PolarHBondContact O-OG1 3.44Å; N93-T96 WeakPolarHBondContact CA-OG1 3.48Å; N93-T96 PolarHBondContact O-OG1 3.41Å; T96-R100 VanDerWaalsContact O-CB 3.28Å; T96-R100 WeakPolarHBondContact O-CB 3.26Å; T96-R100 PolarHBondContact O-N 3.01Å |
| 97 | H | 63.4 | Low | 64 | Low | 93 Ų | 93 | 94.8 Ų | 94.8 | 43% | 0.431 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 176.8 | -138.7 | -73.2 | 0 | 0 | 0 | 112.3 | N93 I94 H95 R100 H101 | N93-H97 PolarHBondContact O-N 3.31Å; I94-H97 PolarHBondContact O-N 3.44Å; H95-H97 VanDerWaalsContact C-N 3.29Å; H95-H97 PolarHBondContact O-N 3.49Å; H97-R100 PolarHBondContact CE1-NH2 2.95Å; H97-R100 PolarHBondContact NE2-NH2 3.38Å; H97-R100 PolarHBondContact O-N 3.42Å; H97-H101 AromaticContact CE1-NE2 3.47Å; H97-H101 PolarHBondContact CE1-NE2 3Å; H97-H101 AromaticContact ND1-CD2 3.41Å; H97-H101 PolarHBondContact ND1-CD2 3.41Å; H97-H101 AromaticContact ND1-NE2 3.28Å; H97-H101 PolarHBondContact ND1-NE2 3.17Å; H97-H101 PolarHBondContact O-CD2 2.98Å; H97-H101 PolarHBondContact O-N 2.88Å |
| 98 | I | 68.2 | Low | 64.7 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 30% | 0.297 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 177.9 | -62.4 | 168 | 0 | 0 | 0 | 110.9 | L78 I94 H95 R100 H101 I102 | L78-I98 HydrophobicContact CD1-CG2 3.73Å; L78-I98 HydrophobicContact CD2-CB 4.07Å; L78-I98 HydrophobicContact CD2-CD1 3.86Å; L78-I98 HydrophobicContact CD2-CG2 3.77Å; L78-I98 HydrophobicContact CG-CG2 4.33Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.33Å; I94-I98 WeakPolarHBondContact O-CG1 2.86Å; I94-I98 PolarHBondContact O-N 3.24Å; H95-I98 PolarHBondContact O-N 3.48Å; I98-R100 PolarHBondContact O-N 3.44Å; I98-H101 PolarHBondContact O-N 3.12Å; I98-I102 HydrophobicContact CG2-CD1 3.82Å; I98-I102 HydrophobicContact CG2-CG1 4.26Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 3.16Å |
| 99 | N | 68.9 | Low | 65 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 176.5 | -77.4 | -13.7 | 0 | 0 | 0 | 111.6 | H95 I102 F103 | H95-N99 WeakPolarHBondContact O-CB 3.46Å; H95-N99 PolarHBondContact O-N 3.49Å; N99-I102 PolarHBondContact O-N 3.28Å; N99-F103 WeakPolarHBondContact O-CB 3.21Å; N99-F103 PolarHBondContact O-N 3.29Å |
| 100 | R | 74.5 | Confident | 65.4 | Low | 123 Ų | 123 | 89.7 Ų | 89.7 | 46% | 0.464 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 173.5 | -169.2 | -180 | 79 | 177.1 | 1.8 | 112.1 | T96 H97 I98 F103 Y104 | T96-R100 VanDerWaalsContact O-CB 3.28Å; T96-R100 WeakPolarHBondContact O-CB 3.26Å; T96-R100 PolarHBondContact O-N 3.01Å; H97-R100 PolarHBondContact CE1-NH2 2.95Å; H97-R100 PolarHBondContact NE2-NH2 3.38Å; H97-R100 PolarHBondContact O-N 3.42Å; I98-R100 PolarHBondContact O-N 3.44Å; R100-F103 PolarHBondContact O-N 2.98Å; R100-Y104 HydrophobicContact CG-CD2 3.79Å; R100-Y104 HydrophobicContact CG-CE2 3.36Å; R100-Y104 WeakPolarHBondContact O-CD2 3.45Å; R100-Y104 PolarHBondContact O-N 2.88Å |
| 101 | H | 73 | Confident | 65.5 | Low | 108 Ų | 108 | 90.8 Ų | 90.8 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.8 | -82.5 | -71.7 | 0 | 0 | 0 | 112.9 | H97 I98 F103 Y104 F105 | H97-H101 AromaticContact CE1-NE2 3.47Å; H97-H101 PolarHBondContact CE1-NE2 3Å; H97-H101 AromaticContact ND1-CD2 3.41Å; H97-H101 PolarHBondContact ND1-CD2 3.41Å; H97-H101 AromaticContact ND1-NE2 3.28Å; H97-H101 PolarHBondContact ND1-NE2 3.17Å; H97-H101 PolarHBondContact O-CD2 2.98Å; H97-H101 PolarHBondContact O-N 2.88Å; I98-H101 PolarHBondContact O-N 3.12Å; H101-F103 VanDerWaalsContact C-N 3.34Å; H101-Y104 PolarHBondContact O-N 3.01Å; H101-F105 WeakPolarHBondContact O-CB 2.97Å; H101-F105 PolarHBondContact O-N 3.23Å |
| 102 | I | 71.9 | Confident | 65.3 | Low | 40 Ų | 40 | 102.9 Ų | 102.9 | 21% | 0.205 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.5 | -67 | 171.9 | 0 | 0 | 0 | 110.2 | F71 I74 L78 I98 N99 F105 V106 | F71-I102 HydrophobicContact CE2-CG2 3.75Å; I74-I102 HydrophobicContact CG2-CD1 3.78Å; L78-I102 HydrophobicContact CD1-CD1 3.39Å; I98-I102 HydrophobicContact CG2-CD1 3.82Å; I98-I102 HydrophobicContact CG2-CG1 4.26Å; I98-I102 WeakPolarHBondContact O-CG1 3.27Å; I98-I102 PolarHBondContact O-N 3.16Å; N99-I102 PolarHBondContact O-N 3.28Å; I102-F105 PolarHBondContact O-N 3.38Å; I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 2.78Å |
| 103 | F | 75 | Confident | 65.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -46.8 | 177.1 | -176.8 | -102.3 | 0 | 0 | 0 | 112.3 | N99 R100 H101 F105 V106 L107 | N99-F103 WeakPolarHBondContact O-CB 3.21Å; N99-F103 PolarHBondContact O-N 3.29Å; R100-F103 PolarHBondContact O-N 2.98Å; H101-F103 VanDerWaalsContact C-N 3.34Å; F103-F105 VanDerWaalsContact C-N 3.33Å; F103-F105 PolarHBondContact O-N 3.2Å; F103-V106 PolarHBondContact O-N 2.81Å; F103-L107 HydrophobicContact CD1-CD1 3.78Å; F103-L107 HydrophobicContact CE1-CD1 3.2Å; F103-L107 HydrophobicContact CE2-CD1 4.29Å; F103-L107 HydrophobicContact CZ-CD1 3.5Å; F103-L107 VanDerWaalsContact CZ-CD1 3.5Å; F103-L107 PolarHBondContact O-N 3.19Å |
| 104 | Y | 75.5 | Confident | 66.2 | Low | 137 Ų | 137 | 104.6 Ų | 104.6 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 176 | -74.1 | -52.5 | 0 | 0 | 0 | 112.9 | R100 H101 L107 S108 | R100-Y104 HydrophobicContact CG-CD2 3.79Å; R100-Y104 HydrophobicContact CG-CE2 3.36Å; R100-Y104 WeakPolarHBondContact O-CD2 3.45Å; R100-Y104 PolarHBondContact O-N 2.88Å; H101-Y104 PolarHBondContact O-N 3.01Å; Y104-L107 PolarHBondContact O-N 3.14Å; Y104-S108 PolarHBondContact O-N 2.99Å; Y104-S108 PolarHBondContact O-OG 3.35Å |
| 105 | F | 73.3 | Confident | 66.6 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.6 | -173 | -98.4 | 0 | 0 | 0 | 111.3 | H101 I102 F103 L107 S108 Y109 | H101-F105 WeakPolarHBondContact O-CB 2.97Å; H101-F105 PolarHBondContact O-N 3.23Å; I102-F105 PolarHBondContact O-N 3.38Å; F103-F105 VanDerWaalsContact C-N 3.33Å; F103-F105 PolarHBondContact O-N 3.2Å; F105-L107 PolarHBondContact O-N 2.93Å; F105-S108 PolarHBondContact O-N 3.36Å; F105-S108 PolarHBondContact O-OG 2.66Å; F105-Y109 HydrophobicContact CD1-CD2 4.41Å; F105-Y109 HydrophobicContact CE1-CD2 4.01Å; F105-Y109 AromaticContact CE1-CE2 3.83Å; F105-Y109 HydrophobicContact CE1-CE2 3.83Å; F105-Y109 HydrophobicContact CE2-CD2 4.33Å; F105-Y109 AromaticContact CE2-CE2 3.75Å; F105-Y109 HydrophobicContact CE2-CE2 3.75Å; F105-Y109 AromaticContact CZ-CD2 3.98Å; F105-Y109 HydrophobicContact CZ-CD2 3.98Å; F105-Y109 AromaticContact CZ-CE2 3.37Å; F105-Y109 HydrophobicContact CZ-CE2 3.37Å; F105-Y109 PolarHBondContact O-N 3.07Å |
| 106 | V | 70.1 | Confident | 67.1 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | I102 F103 Y109 S110 | I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 2.78Å; F103-V106 PolarHBondContact O-N 2.81Å; V106-Y109 PolarHBondContact O-N 3.46Å; V106-S110 PolarHBondContact O-N 2.95Å |
| 107 | L | 69.2 | Low | 67.3 | Low | 71 Ų | 71 | 111.7 Ų | 111.7 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 176.9 | -103.5 | 155.9 | 0 | 0 | 0 | 112.5 | F103 Y104 F105 Y109 S110 E111 | F103-L107 HydrophobicContact CD1-CD1 3.78Å; F103-L107 HydrophobicContact CE1-CD1 3.2Å; F103-L107 HydrophobicContact CE2-CD1 4.29Å; F103-L107 HydrophobicContact CZ-CD1 3.5Å; F103-L107 VanDerWaalsContact CZ-CD1 3.5Å; F103-L107 PolarHBondContact O-N 3.19Å; Y104-L107 PolarHBondContact O-N 3.14Å; F105-L107 PolarHBondContact O-N 2.93Å; L107-Y109 PolarHBondContact O-N 3.17Å; L107-S110 PolarHBondContact O-N 2.79Å; L107-S110 PolarHBondContact O-OG 3.04Å; L107-E111 PolarHBondContact O-N 2.83Å |
| 108 | S | 68.3 | Low | 67.6 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 42% | 0.42 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -27.1 | -179.7 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | Y104 F105 | Y104-S108 PolarHBondContact O-N 2.99Å; Y104-S108 PolarHBondContact O-OG 3.35Å; F105-S108 PolarHBondContact O-N 3.36Å; F105-S108 PolarHBondContact O-OG 2.66Å |
| 109 | Y | 59.6 | Low | 67.5 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -83.3 | -21 | 175.4 | -94.7 | -90.6 | 0 | 0 | 0 | 113.7 | F105 V106 L107 E111 | F105-Y109 HydrophobicContact CD1-CD2 4.41Å; F105-Y109 HydrophobicContact CE1-CD2 4.01Å; F105-Y109 AromaticContact CE1-CE2 3.83Å; F105-Y109 HydrophobicContact CE1-CE2 3.83Å; F105-Y109 HydrophobicContact CE2-CD2 4.33Å; F105-Y109 AromaticContact CE2-CE2 3.75Å; F105-Y109 HydrophobicContact CE2-CE2 3.75Å; F105-Y109 AromaticContact CZ-CD2 3.98Å; F105-Y109 HydrophobicContact CZ-CD2 3.98Å; F105-Y109 AromaticContact CZ-CE2 3.37Å; F105-Y109 HydrophobicContact CZ-CE2 3.37Å; F105-Y109 PolarHBondContact O-N 3.07Å; V106-Y109 PolarHBondContact O-N 3.46Å; L107-Y109 PolarHBondContact O-N 3.17Å; Y109-E111 VanDerWaalsContact C-N 3.32Å |
| 110 | S | 59.5 | Low | 67.4 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.1 | -19 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | V106 L107 W112 | V106-S110 PolarHBondContact O-N 2.95Å; L107-S110 PolarHBondContact O-N 2.79Å; L107-S110 PolarHBondContact O-OG 3.04Å; S110-W112 VanDerWaalsContact C-N 3.34Å |
| 111 | E | 57.4 | Low | 66.8 | Low | 166 Ų | 166 | 118.6 Ų | 118.6 | 78% | 0.776 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -4.7 | 174.9 | -67 | -173.4 | 169.7 | 0 | 0 | 113.4 | L107 Y109 | L107-E111 PolarHBondContact O-N 2.83Å; Y109-E111 VanDerWaalsContact C-N 3.32Å |
| 112 | W | 48.9 | Very low | 66.2 | Low | 289 Ų | 289 | 119.5 Ų | 119.5 | 100% | 1.095 | 56% | 0.557 | S | S | * | * | trans | -104.6 | 0 | 175.2 | -97.6 | 71.4 | 0 | 0 | 0 | 111.7 | S110 | S110-W112 VanDerWaalsContact C-N 3.34Š|
Retrieved 112 of 112 residues in 126 ms
(Link to these results)