| 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 | 42.6 | Very low | 47.7 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 100% | 1.177 | 82% | 0.82 | S | S | * | * | 0 | 69 | 0 | -160.3 | 157.7 | 86.2 | 0 | 0 | 108.1 | |||||
| 2 | T | 44.7 | Very low | 47.6 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -158.3 | 51.5 | -178.3 | -21.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | I | 44.8 | Very low | 47.4 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -95.8 | 142.2 | 155.9 | -63 | 172.1 | 0 | 0 | 0 | 104.2 | ||||
| 4 | F | 48.3 | Very low | 47.2 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | 91.3 | 89.6 | -172 | -71.9 | -96.3 | 0 | 0 | 0 | 114.9 | ||||
| 5 | T | 52.3 | Low | 47 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | S | Bend | -171.5 | -10.1 | 108.3 | 17.4 | 0 | 0 | 0 | 0 | 117.2 | L7 | T5-L7 PolarHBondContact O-N 2.95Š| |
| 6 | C | 49.2 | Very low | 46.9 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 96% | 0.959 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 19.1 | 179.1 | -79.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 7 | L | 47.4 | Very low | 47.4 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 26.2 | 175.6 | -121.3 | 167.6 | 0 | 0 | 0 | 112.7 | T5 L9 | T5-L7 PolarHBondContact O-N 2.95Å; L7-L9 PolarHBondContact O-N 3.34Å |
| 8 | L | 50.4 | Low | 47.6 | Very low | 135 Ų | 135 | 150 Ų | 150 | 71% | 0.707 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -97.2 | 90.4 | 161 | -68 | 179.7 | 0 | 0 | 0 | 109.3 | ||
| 9 | L | 50.7 | Low | 48.3 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | 59.6 | 79.2 | 127.6 | -64.9 | 154.7 | 0 | 0 | 0 | 113.7 | L7 P11 | L7-L9 PolarHBondContact O-N 3.34Å; L9-P11 WeakPolarHBondContact O-CD 3.44Å | |||
| 10 | N | 42.7 | Very low | 49.2 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 104.4 | 137.4 | -174.3 | -20 | 0 | 0 | 0 | 105.7 | R12 | N10-R12 PolarHBondContact O-N 3.01Å; N10-R12 PolarHBondContact OD1-N 3.3Å | ||
| 11 | P | 51.5 | Low | 50.1 | Low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -80.2 | 60 | 177.1 | 29.1 | -13.8 | 0 | 0 | 0 | 106.4 | L9 S13 | L9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-S13 VanDerWaalsContact C-N 3.33Å; P11-S13 PolarHBondContact O-N 3.11Å | ||
| 12 | R | 46.2 | Very low | 51.6 | Low | 206 Ų | 206 | 141.3 Ų | 141.3 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 103.5 | 174.1 | -161.5 | -167.3 | -109.5 | -175.4 | -2.3 | 105.3 | N10 K14 | N10-R12 PolarHBondContact O-N 3.01Å; N10-R12 PolarHBondContact OD1-N 3.3Å; R12-K14 PolarHBondContact O-N 3.06Å | ||
| 13 | S | 45.2 | Very low | 53 | Low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | trans | 52.6 | 62.4 | 157.9 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | P11 S15 | P11-S13 VanDerWaalsContact C-N 3.33Å; P11-S13 PolarHBondContact O-N 3.11Å; S13-S15 VanDerWaalsContact CA-N 3.3Å; S13-S15 PolarHBondContact O-N 3.04Å | ||
| 14 | K | 45.2 | Very low | 54.7 | Low | 204 Ų | 204 | 135.7 Ų | 135.7 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | -67.4 | 63.8 | 126.2 | -83.5 | -174 | 179.3 | 179.6 | 0 | 106.8 | R12 H16 | R12-K14 PolarHBondContact O-N 3.06Å; K14-H16 PolarHBondContact O-N 3.26Å | |||
| 15 | S | 43.9 | Very low | 56.2 | Low | 79 Ų | 79 | 131.8 Ų | 131.8 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | trans | -55.9 | 111.3 | 151 | 51.5 | 0 | 0 | 0 | 0 | 102 | S13 Q17 | S13-S15 VanDerWaalsContact CA-N 3.3Å; S13-S15 PolarHBondContact O-N 3.04Å; S15-Q17 PolarHBondContact O-N 3.1Å | ||
| 16 | H | 45.6 | Very low | 57.3 | Low | 175 Ų | 175 | 129 Ų | 129 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -45.3 | 76.5 | 139.3 | -83.8 | -161.9 | 0 | 0 | 0 | 106.6 | K14 N18 | K14-H16 PolarHBondContact O-N 3.26Å; H16-N18 PolarHBondContact O-N 2.77Å | ||
| 17 | Q | 54.3 | Low | 59.1 | Low | 152 Ų | 152 | 126 Ų | 126 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | trans | -53.7 | 97.8 | 132.6 | -75.4 | -171.7 | -18 | 0 | 0 | 100.6 | S15 I19 | S15-Q17 PolarHBondContact O-N 3.1Å; Q17-I19 HydrophobicContact CB-CG1 4.34Å; Q17-I19 PolarHBondContact O-N 3.19Å | ||
| 18 | N | 51.8 | Low | 61.1 | Low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 63% | 0.631 | S | S | * | * | trans | -44.3 | 85.6 | 141 | -105.9 | -51.6 | 0 | 0 | 0 | 103.3 | H16 N20 | H16-N18 PolarHBondContact O-N 2.77Å; N18-N20 PolarHBondContact O-N 3.01Å | ||
| 19 | I | 61.4 | Low | 63.1 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | trans | -59.1 | 101.6 | 161.1 | -63.5 | 174.4 | 0 | 0 | 0 | 99 | Q17 Y21 | Q17-I19 HydrophobicContact CB-CG1 4.34Å; Q17-I19 PolarHBondContact O-N 3.19Å; I19-Y21 PolarHBondContact O-N 3.18Å | ||
| 20 | N | 65.5 | Low | 65 | Low | 142 Ų | 142 | 118.3 Ų | 118.3 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | trans | -68.4 | 78.8 | 180 | -166.9 | -14.1 | 0 | 0 | 0 | 104 | N18 N22 | N18-N20 PolarHBondContact O-N 3.01Å; N20-N22 VanDerWaalsContact C-N 3.29Å; N20-N22 PolarHBondContact O-N 3.41Å | ||
| 21 | Y | 69.3 | Low | 67.4 | Low | 160 Ų | 160 | 117.8 Ų | 117.8 | 63% | 0.627 | 60% | 0.599 | S | S | * | * | trans | -66 | 98.5 | -175.5 | 172.7 | -97.4 | 0 | 0 | 0 | 105 | I19 P23 | I19-Y21 PolarHBondContact O-N 3.18Å; Y21-P23 HydrophobicContact CE1-CB 4.15Å; Y21-P23 VanDerWaalsContact O-CD 3.31Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å | ||
| 22 | N | 72.9 | Confident | 69.4 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 40% | 0.396 | 58% | 0.579 | S | S | . | * | trans | -83.9 | 113.1 | 173.9 | -176.2 | -8.3 | 0 | 0 | 0 | 105.7 | N20 N24 E25 | N20-N22 VanDerWaalsContact C-N 3.29Å; N20-N22 PolarHBondContact O-N 3.41Å; N22-N24 PolarHBondContact O-N 3.19Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 2.8Å; N22-N24 VanDerWaalsContact OD1-N 3.1Å; N22-N24 PolarHBondContact OD1-ND2 3.28Å; N22-E25 HydrophobicContact CB-CB 4.34Å; N22-E25 VanDerWaalsContact O-CB 3.25Å; N22-E25 WeakPolarHBondContact O-CB 3.22Å; N22-E25 PolarHBondContact O-N 3.18Å | ||
| 23 | P | 75.4 | Confident | 71.6 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -14.7 | 179 | 24.9 | -34.6 | 0 | 0 | 0 | 112.9 | Y21 | Y21-P23 HydrophobicContact CE1-CB 4.15Å; Y21-P23 VanDerWaalsContact O-CD 3.31Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 24 | N | 80 | Confident | 74 | Confident | 92 Ų | 92 | 106.7 Ų | 106.7 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -11.6 | 174.7 | -51 | -67.6 | 0 | 0 | 0 | 113.8 | N22 T27 E28 | N22-N24 PolarHBondContact O-N 3.19Å; N22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N22-N24 PolarHBondContact OD1-N 2.8Å; N22-N24 VanDerWaalsContact OD1-N 3.1Å; N22-N24 PolarHBondContact OD1-ND2 3.28Å; N24-T27 WeakPolarHBondContact CA-OG1 3.28Å; N24-T27 PolarHBondContact O-N 3.26Å; N24-T27 VanDerWaalsContact O-N 3.1Å; N24-T27 PolarHBondContact O-OG1 2.98Å; N24-E28 PolarHBondContact O-N 3.35Å |
| 25 | E | 78.2 | Confident | 76.4 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.8 | -48.1 | -177.2 | -179 | 177.6 | -164.7 | 0 | 0 | 112.6 | N22 T27 E28 D29 | N22-E25 HydrophobicContact CB-CB 4.34Å; N22-E25 VanDerWaalsContact O-CB 3.25Å; N22-E25 WeakPolarHBondContact O-CB 3.22Å; N22-E25 PolarHBondContact O-N 3.18Å; E25-T27 PolarHBondContact O-N 2.89Å; E25-E28 PolarHBondContact O-N 2.89Å; E25-E28 VanDerWaalsContact O-N 3.12Å; E25-D29 PolarHBondContact O-N 3.44Å |
| 26 | P | 77.4 | Confident | 78.9 | Confident | 64 Ų | 64 | 107.3 Ų | 107.3 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 176.4 | -23.5 | 34.4 | 0 | 0 | 0 | 112.9 | L30 | P26-L30 WeakPolarHBondContact O-CD1 3.3Å; P26-L30 PolarHBondContact O-N 3.29Å |
| 27 | T | 85.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.5 | -36.1 | 179 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | N24 E25 K31 | N24-T27 WeakPolarHBondContact CA-OG1 3.28Å; N24-T27 PolarHBondContact O-N 3.26Å; N24-T27 VanDerWaalsContact O-N 3.1Å; N24-T27 PolarHBondContact O-OG1 2.98Å; E25-T27 PolarHBondContact O-N 2.89Å; T27-K31 WeakPolarHBondContact O-CB 3.23Å; T27-K31 PolarHBondContact O-N 3.5Å; T27-K31 VanDerWaalsContact O-N 3.08Å |
| 28 | E | 90.7 | Very high | 83.1 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.3 | -35.7 | 177 | -72.7 | -58.2 | 137.5 | 0 | 0 | 111.7 | N24 E25 K31 A32 | N24-E28 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 2.89Å; E25-E28 VanDerWaalsContact O-N 3.12Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-K31 IonicContact OE1-NZ 3.14Å; E28-K31 PolarHBondContact OE1-NZ 3.38Å; E28-K31 IonicContact OE2-NZ 2.63Å; E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.74Å |
| 29 | D | 90.9 | Very high | 85.2 | Confident | 99 Ų | 99 | 93.5 Ų | 93.5 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 174.6 | -75.3 | -21.6 | 0 | 0 | 0 | 112.4 | E25 K31 A32 F33 | E25-D29 PolarHBondContact O-N 3.44Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.44Å; D29-A32 PolarHBondContact O-N 2.83Å; D29-F33 WeakPolarHBondContact O-CB 3.45Å; D29-F33 PolarHBondContact O-N 2.89Å |
| 30 | L | 91.3 | Very high | 86.8 | Confident | 74 Ų | 74 | 91.3 Ų | 91.3 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 175 | -96.9 | 57.6 | 0 | 0 | 0 | 111.3 | P26 A32 F33 E34 M128 L136 | P26-L30 WeakPolarHBondContact O-CD1 3.3Å; P26-L30 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-F33 PolarHBondContact O-N 2.96Å; L30-E34 WeakPolarHBondContact O-CB 3.5Å; L30-E34 PolarHBondContact O-N 3.17Å; L30-M128 HydrophobicContact CD2-CE 3.22Å; L30-M128 HydrophobicContact CD2-SD 4.17Å; L30-M128 HydrophobicContact CG-CE 3.92Å; L30-M128 HydrophobicContact CG-SD 4.5Å; L30-L136 HydrophobicContact CG-CD2 4.44Å |
| 31 | K | 92.2 | Very high | 88.1 | Confident | 120 Ų | 120 | 85 Ų | 85 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.1 | -176.1 | -179.7 | 174.9 | -170.3 | 0 | 111.9 | T27 E28 D29 E34 R35 | T27-K31 WeakPolarHBondContact O-CB 3.23Å; T27-K31 PolarHBondContact O-N 3.5Å; T27-K31 VanDerWaalsContact O-N 3.08Å; E28-K31 PolarHBondContact O-N 3.42Å; E28-K31 IonicContact OE1-NZ 3.14Å; E28-K31 PolarHBondContact OE1-NZ 3.38Å; E28-K31 IonicContact OE2-NZ 2.63Å; D29-K31 VanDerWaalsContact C-N 3.31Å; D29-K31 PolarHBondContact O-N 3.44Å; K31-E34 PolarHBondContact O-N 3.35Å; K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 3.2Å |
| 32 | A | 94.2 | Very high | 89.1 | Confident | 34 Ų | 34 | 82 Ų | 82 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E28 D29 L30 R35 R36 | E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.31Å; E28-A32 PolarHBondContact O-N 2.74Å; D29-A32 PolarHBondContact O-N 2.83Å; L30-A32 VanDerWaalsContact C-N 3.35Å; A32-R35 PolarHBondContact O-N 3.49Å; A32-R36 WeakPolarHBondContact O-CG 3.47Å; A32-R36 PolarHBondContact O-N 3.44Å |
| 33 | F | 93.3 | Very high | 90.1 | Very high | 90 Ų | 90 | 81.2 Ų | 81.2 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 173.4 | 173.3 | -98.3 | 0 | 0 | 0 | 111.4 | D29 L30 R35 R36 L37 L123 L136 | D29-F33 WeakPolarHBondContact O-CB 3.45Å; D29-F33 PolarHBondContact O-N 2.89Å; L30-F33 PolarHBondContact O-N 2.96Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.26Å; F33-R36 PolarHBondContact O-N 3.45Å; F33-R36 VanDerWaalsContact O-N 3.14Å; F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.45Å; F33-L37 PolarHBondContact O-N 3.4Å; F33-L123 HydrophobicContact CE1-CD1 4.22Å; F33-L123 HydrophobicContact CE1-CD2 4.13Å; F33-L123 HydrophobicContact CE1-CG 4.49Å; F33-L136 HydrophobicContact CD1-CD1 3.96Å; F33-L136 HydrophobicContact CD1-CD2 3.98Å; F33-L136 HydrophobicContact CE1-CD1 4Å; F33-L136 HydrophobicContact CE1-CD2 4.42Å |
| 34 | E | 94.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 79 Ų | 79 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.3 | -44.9 | 177.5 | 177.4 | 168.1 | -165.3 | 0 | 0 | 111.9 | L30 K31 R38 L136 | L30-E34 WeakPolarHBondContact O-CB 3.5Å; L30-E34 PolarHBondContact O-N 3.17Å; K31-E34 PolarHBondContact O-N 3.35Å; E34-R38 PolarHBondContact O-N 3.15Å; E34-R38 VanDerWaalsContact O-N 3.07Å; E34-R38 IonicContact OE1-CZ 3.78Å; E34-R38 IonicContact OE1-NH1 3.5Å; E34-R38 PolarHBondContact OE1-NH1 2.92Å; E34-R38 IonicContact OE1-NH2 2.83Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; E34-L136 HydrophobicContact CB-CD1 3.7Å; E34-L136 HydrophobicContact CB-CD2 4.41Å; E34-L136 HydrophobicContact CB-CG 4.48Å; E34-L136 HydrophobicContact CG-CD1 3.9Å; E34-L136 PolarHBondContact OE1-N 3.46Å |
| 35 | R | 95.9 | Very high | 91.4 | Very high | 160 Ų | 160 | 76 Ų | 76 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 176.3 | 179.8 | 178.4 | 62.7 | 178.1 | -3.1 | 111.7 | K31 A32 F33 R38 E39 | K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 3.2Å; A32-R35 PolarHBondContact O-N 3.49Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.26Å; R35-R38 PolarHBondContact O-N 2.69Å; R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å |
| 36 | R | 95.6 | Very high | 92 | Very high | 136 Ų | 136 | 75.4 Ų | 75.4 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 179 | -69.7 | -61 | -173.6 | -170.3 | 4.8 | 112 | A32 F33 E39 I40 | A32-R36 WeakPolarHBondContact O-CG 3.47Å; A32-R36 PolarHBondContact O-N 3.44Å; F33-R36 PolarHBondContact O-N 3.45Å; F33-R36 VanDerWaalsContact O-N 3.14Å; R36-E39 IonicContact CZ-OE2 3.83Å; R36-E39 IonicContact NH1-OE1 2.85Å; R36-E39 IonicContact NH1-OE2 3.85Å; R36-E39 PolarHBondContact NH1-OE2 3.02Å; R36-E39 PolarHBondContact O-N 3.32Å; R36-I40 VanDerWaalsContact O-CG1 3.32Å; R36-I40 WeakPolarHBondContact O-CG1 3.28Å; R36-I40 PolarHBondContact O-N 3.1Å |
| 37 | L | 94.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.9 | -175.3 | 58.3 | 0 | 0 | 0 | 111.2 | F33 I40 I41 I115 S119 C130 L136 | F33-L37 HydrophobicContact CE1-CD2 4.08Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 WeakPolarHBondContact O-CB 3.45Å; F33-L37 PolarHBondContact O-N 3.4Å; L37-I40 PolarHBondContact O-N 2.95Å; L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 WeakPolarHBondContact O-CB 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.32Å; L37-I115 HydrophobicContact CD1-CG2 4.05Å; L37-S119 WeakPolarHBondContact CD1-OG 3.41Å; L37-C130 HydrophobicContact CD2-CB 4.16Å; L37-L136 HydrophobicContact CD2-CD1 4.49Å |
| 38 | R | 94.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 74.3 Ų | 74.3 | 25% | 0.249 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 172 | -88.9 | 175.6 | 175.5 | 75.1 | 167 | 112.8 | E34 R35 I40 I41 N42 S133 G134 | E34-R38 PolarHBondContact O-N 3.15Å; E34-R38 VanDerWaalsContact O-N 3.07Å; E34-R38 IonicContact OE1-CZ 3.78Å; E34-R38 IonicContact OE1-NH1 3.5Å; E34-R38 PolarHBondContact OE1-NH1 2.92Å; E34-R38 IonicContact OE1-NH2 2.83Å; E34-R38 PolarHBondContact OE1-NH2 3.39Å; R35-R38 PolarHBondContact O-N 2.69Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.38Å; R38-N42 WeakPolarHBondContact O-CB 3.32Å; R38-N42 PolarHBondContact O-N 3.25Å; R38-N42 PolarHBondContact O-ND2 2.95Å; R38-S133 VanDerWaalsContact CG-O 3.29Å; R38-S133 WeakPolarHBondContact CG-O 3.25Å; R38-G134 PolarHBondContact NH2-O 3.39Å |
| 39 | E | 95.5 | Very high | 93.3 | Very high | 110 Ų | 110 | 75.7 Ų | 75.7 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.8 | -46.4 | 179.7 | -174.6 | -177.8 | 177.8 | 0 | 0 | 110.7 | R35 R36 G43 | R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å; R36-E39 IonicContact CZ-OE2 3.83Å; R36-E39 IonicContact NH1-OE1 2.85Å; R36-E39 IonicContact NH1-OE2 3.85Å; R36-E39 PolarHBondContact NH1-OE2 3.02Å; R36-E39 PolarHBondContact O-N 3.32Å; E39-G43 PolarHBondContact O-N 2.85Å |
| 40 | I | 94.5 | Very high | 93.5 | Very high | 83 Ų | 83 | 78.2 Ų | 78.2 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -51.2 | 177 | -66.3 | 165.5 | 0 | 0 | 0 | 111.1 | R36 L37 R38 G43 L44 I115 | R36-I40 VanDerWaalsContact O-CG1 3.32Å; R36-I40 WeakPolarHBondContact O-CG1 3.28Å; R36-I40 PolarHBondContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 2.95Å; R38-I40 VanDerWaalsContact C-N 3.28Å; R38-I40 PolarHBondContact O-N 3.28Å; I40-G43 PolarHBondContact O-N 3.48Å; I40-L44 HydrophobicContact CG2-CD1 3.85Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.23Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 3.4Å; I40-I115 HydrophobicContact CG2-CD1 3.9Å; I40-I115 HydrophobicContact CG2-CG2 4.35Å |
| 41 | I | 92.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 77.4 Ų | 77.4 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | -177.3 | -70.7 | 172.2 | 0 | 0 | 0 | 111 | L37 R38 G43 L44 G45 A116 N132 | L37-I41 HydrophobicContact CD1-CD1 3.92Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 WeakPolarHBondContact O-CB 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.32Å; R38-I41 PolarHBondContact O-N 3.38Å; I41-G43 VanDerWaalsContact C-N 3.33Å; I41-G43 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 3.44Å; I41-G45 PolarHBondContact O-N 3.24Å; I41-A116 HydrophobicContact CD1-CB 4.14Å; I41-N132 WeakPolarHBondContact CG2-O 3.25Å |
| 42 | N | 91.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 77.7 Ų | 77.7 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -34.8 | 178.9 | -69.2 | -20.6 | 0 | 0 | 0 | 111.7 | R38 L44 P46 | R38-N42 WeakPolarHBondContact O-CB 3.32Å; R38-N42 PolarHBondContact O-N 3.25Å; R38-N42 PolarHBondContact O-ND2 2.95Å; N42-L44 VanDerWaalsContact C-N 3.34Å; N42-P46 WeakPolarHBondContact O-CD 3.49Å |
| 43 | G | 93 | Very high | 94 | Very high | 57 Ų | 57 | 80 Ų | 80 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.7 | -35.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | E39 I40 I41 | E39-G43 PolarHBondContact O-N 2.85Å; I40-G43 PolarHBondContact O-N 3.48Å; I41-G43 VanDerWaalsContact C-N 3.33Å; I41-G43 PolarHBondContact O-N 3.29Å |
| 44 | L | 92.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -85.2 | -28 | -179.1 | -66.1 | 172.8 | 0 | 0 | 0 | 113.6 | I40 I41 N42 K47 A48 L111 P112 I115 | I40-L44 HydrophobicContact CG2-CD1 3.85Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.23Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 3.4Å; I41-L44 PolarHBondContact O-N 3.44Å; N42-L44 VanDerWaalsContact C-N 3.34Å; L44-K47 PolarHBondContact O-N 2.95Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.83Å; L44-L111 HydrophobicContact CD1-CD2 4.11Å; L44-L111 HydrophobicContact CD1-CG 4.09Å; L44-L111 HydrophobicContact CD2-CD2 3.91Å; L44-P112 HydrophobicContact CB-CB 4.44Å; L44-P112 HydrophobicContact CB-CG 3.96Å; L44-I115 HydrophobicContact CD1-CD1 3.43Å; L44-I115 VanDerWaalsContact CD1-CD1 3.43Å |
| 45 | G | 90.6 | Very high | 94.2 | Very high | 29 Ų | 29 | 77.7 Ų | 77.7 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.1 | -57.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I41 K47 A48 F49 | I41-G45 PolarHBondContact O-N 3.24Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.04Å; G45-A48 PolarHBondContact O-N 3.46Å; G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.86Å |
| 46 | P | 91.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 73.4 Ų | 73.4 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | -179.7 | -25.5 | 34.3 | 0 | 0 | 0 | 113 | N42 K50 | N42-P46 WeakPolarHBondContact O-CD 3.49Å; P46-K50 WeakPolarHBondContact O-CG 3.24Å; P46-K50 PolarHBondContact O-N 3.39Å |
| 47 | K | 91.7 | Very high | 94.3 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 176.2 | -174 | 174.6 | -178 | 176 | 0 | 110.6 | L44 G45 F49 K50 W51 | L44-K47 PolarHBondContact O-N 2.95Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.04Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.23Å; K47-K50 PolarHBondContact O-N 3.46Å; K47-W51 PolarHBondContact O-N 2.9Å; K47-W51 VanDerWaalsContact O-N 3.08Å |
| 48 | A | 93.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L44 G45 W51 R52 P112 | L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 2.83Å; G45-A48 PolarHBondContact O-N 3.46Å; A48-W51 PolarHBondContact O-N 3.18Å; A48-R52 WeakPolarHBondContact O-CG 3.32Å; A48-R52 PolarHBondContact O-N 3.44Å; A48-P112 HydrophobicContact CB-CG 3.55Å |
| 49 | F | 94.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 70 Ų | 70 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 176.4 | -176.2 | -106.3 | 0 | 0 | 0 | 112.2 | G45 K47 W51 R52 I53 | G45-F49 WeakPolarHBondContact O-CB 3.35Å; G45-F49 PolarHBondContact O-N 2.86Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 3.23Å; F49-W51 VanDerWaalsContact C-N 3.33Å; F49-W51 PolarHBondContact O-N 3.44Å; F49-R52 WeakPolarHBondContact O-CB 3.41Å; F49-R52 PolarHBondContact O-N 3.43Å; F49-R52 VanDerWaalsContact O-N 3.15Å; F49-I53 HydrophobicContact CD1-CD1 3.86Å; F49-I53 HydrophobicContact CE1-CD1 3.38Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.35Å; F49-I53 PolarHBondContact O-N 3.22Å |
| 50 | K | 95.1 | Very high | 94.7 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.1 | -46.5 | 173.7 | -77.3 | -176.8 | 165.8 | -174.5 | 0 | 112.2 | P46 K47 R52 I53 V54 | P46-K50 WeakPolarHBondContact O-CG 3.24Å; P46-K50 PolarHBondContact O-N 3.39Å; K47-K50 PolarHBondContact O-N 3.46Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 2.85Å; K50-I53 PolarHBondContact O-N 2.98Å; K50-V54 WeakPolarHBondContact O-CG2 3.38Å; K50-V54 PolarHBondContact O-N 3.5Å |
| 51 | W | 96 | Very high | 94.8 | Very high | 58 Ų | 58 | 70 Ų | 70 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.8 | -31.5 | 178.6 | -79 | 100.9 | 0 | 0 | 0 | 113.1 | K47 A48 F49 L55 L100 A105 K108 V109 | K47-W51 PolarHBondContact O-N 2.9Å; K47-W51 VanDerWaalsContact O-N 3.08Å; A48-W51 PolarHBondContact O-N 3.18Å; F49-W51 VanDerWaalsContact C-N 3.33Å; F49-W51 PolarHBondContact O-N 3.44Å; W51-L55 WeakPolarHBondContact O-CB 3.24Å; W51-L55 WeakPolarHBondContact O-CG 3.42Å; W51-L55 PolarHBondContact O-N 3.24Å; W51-L100 HydrophobicContact CZ3-CD2 4.05Å; W51-A105 HydrophobicContact CD2-CB 4.5Å; W51-A105 HydrophobicContact CE3-CB 3.49Å; W51-A105 VanDerWaalsContact CE3-CB 3.49Å; W51-A105 HydrophobicContact CZ3-CB 3.62Å; W51-K108 HydrophobicContact CD2-CB 4.39Å; W51-K108 HydrophobicContact CD2-CD 3.88Å; W51-K108 HydrophobicContact CG-CB 4.02Å; W51-K108 HydrophobicContact CG-CD 4.27Å; W51-K108 HydrophobicContact CH2-CD 4.3Å; W51-K108 HydrophobicContact CZ2-CD 3.63Å; W51-K108 VanDerWaalsContact CZ2-NZ 3.32Å; W51-V109 HydrophobicContact CB-CG1 3.39Å |
| 52 | R | 96.1 | Very high | 95 | Very high | 125 Ų | 125 | 71.2 Ų | 71.2 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 172.4 | -72.6 | 173.2 | -170.6 | -177.2 | 1.8 | 111 | A48 F49 K50 V54 L55 S56 V109 | A48-R52 WeakPolarHBondContact O-CG 3.32Å; A48-R52 PolarHBondContact O-N 3.44Å; F49-R52 WeakPolarHBondContact O-CB 3.41Å; F49-R52 PolarHBondContact O-N 3.43Å; F49-R52 VanDerWaalsContact O-N 3.15Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 2.85Å; R52-V54 PolarHBondContact O-N 2.92Å; R52-L55 PolarHBondContact O-N 2.96Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.1Å; R52-V109 HydrophobicContact CB-CG1 4.47Å; R52-V109 HydrophobicContact CG-CB 3.95Å; R52-V109 HydrophobicContact CG-CG1 3.73Å; R52-V109 PolarHBondContact NH2-O 3.22Å |
| 53 | I | 97.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 43% | 0.426 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 176.9 | -65.1 | 169.6 | 0 | 0 | 0 | 110.7 | F49 K50 L55 S56 V57 | F49-I53 HydrophobicContact CD1-CD1 3.86Å; F49-I53 HydrophobicContact CE1-CD1 3.38Å; F49-I53 HydrophobicContact CE1-CG1 4.32Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.35Å; F49-I53 PolarHBondContact O-N 3.22Å; K50-I53 PolarHBondContact O-N 2.98Å; I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.27Å; I53-S56 PolarHBondContact O-N 2.95Å; I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å |
| 54 | V | 96.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 38% | 0.376 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 179.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | K50 R52 V57 A58 L100 | K50-V54 WeakPolarHBondContact O-CG2 3.38Å; K50-V54 PolarHBondContact O-N 3.5Å; R52-V54 PolarHBondContact O-N 2.92Å; V54-V57 PolarHBondContact O-N 3.49Å; V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.42Å; V54-L100 HydrophobicContact CG1-CD1 4.24Å; V54-L100 HydrophobicContact CG1-CD2 4.1Å |
| 55 | L | 96 | Very high | 95.7 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.3 | -76.4 | 173.8 | 0 | 0 | 0 | 112 | W51 R52 I53 V57 A58 V59 L100 A105 V109 | W51-L55 WeakPolarHBondContact O-CB 3.24Å; W51-L55 WeakPolarHBondContact O-CG 3.42Å; W51-L55 PolarHBondContact O-N 3.24Å; R52-L55 PolarHBondContact O-N 2.96Å; I53-L55 VanDerWaalsContact C-N 3.34Å; I53-L55 PolarHBondContact O-N 3.27Å; L55-V57 PolarHBondContact O-N 3.5Å; L55-A58 PolarHBondContact O-N 2.86Å; L55-V59 WeakPolarHBondContact O-CB 3.35Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 2.94Å; L55-L100 HydrophobicContact CD2-CB 4.18Å; L55-L100 HydrophobicContact CD2-CD1 4.28Å; L55-A105 HydrophobicContact CD1-CB 4.04Å; L55-A105 HydrophobicContact CD2-CB 3.87Å; L55-A105 HydrophobicContact CG-CB 4.1Å; L55-V109 HydrophobicContact CD1-CG1 3.93Å; L55-V109 HydrophobicContact CD1-CG2 4.14Å |
| 56 | S | 96.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 71.5 Ų | 71.5 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 177.1 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | R52 I53 V59 L60 | R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.1Å; I53-S56 PolarHBondContact O-N 2.95Å; S56-V59 PolarHBondContact O-N 3.41Å; S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.05Å |
| 57 | V | 97.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 75.1 Ų | 75.1 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111 | I53 V54 L55 V59 L60 I61 | I53-V57 HydrophobicContact CG2-CG2 4.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.38Å; I53-V57 PolarHBondContact O-N 3.02Å; V54-V57 PolarHBondContact O-N 3.49Å; L55-V57 PolarHBondContact O-N 3.5Å; V57-V59 VanDerWaalsContact C-N 3.33Å; V57-V59 PolarHBondContact O-N 3.01Å; V57-L60 PolarHBondContact O-N 3.46Å; V57-I61 HydrophobicContact CG1-CD1 3.87Å; V57-I61 HydrophobicContact CG1-CG1 4.47Å; V57-I61 WeakPolarHBondContact O-CG1 3.34Å; V57-I61 PolarHBondContact O-N 3.48Å |
| 58 | A | 96.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.033 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V54 L55 I61 H62 F96 L97 L100 | V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.42Å; L55-A58 PolarHBondContact O-N 2.86Å; A58-I61 PolarHBondContact O-N 3.28Å; A58-H62 WeakPolarHBondContact O-CB 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å; A58-F96 HydrophobicContact CB-CD1 4.18Å; A58-F96 HydrophobicContact CB-CE1 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.14Å; A58-L100 HydrophobicContact CB-CD1 3.6Å |
| 59 | V | 97.7 | Very high | 96.2 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L55 S56 V57 I61 H62 L63 L97 | L55-V59 WeakPolarHBondContact O-CB 3.35Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 2.94Å; S56-V59 PolarHBondContact O-N 3.41Å; V57-V59 VanDerWaalsContact C-N 3.33Å; V57-V59 PolarHBondContact O-N 3.01Å; V59-I61 PolarHBondContact O-N 3.06Å; V59-H62 PolarHBondContact O-N 2.86Å; V59-L63 HydrophobicContact CG1-CD1 3.99Å; V59-L63 HydrophobicContact CG1-CG 4.28Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 3.33Å; V59-L97 HydrophobicContact CG2-CD1 4.04Å |
| 60 | L | 98 | Very high | 96.1 | Very high | 108 Ų | 108 | 72.2 Ų | 72.2 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 177.2 | -71.8 | 173.1 | 0 | 0 | 0 | 111.9 | S56 V57 H62 L63 C64 | S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.05Å; V57-L60 PolarHBondContact O-N 3.46Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.43Å; L60-L63 PolarHBondContact O-N 3.41Å; L60-C64 PolarHBondContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.11Å; L60-C64 VanDerWaalsContact O-SG 3.41Å |
| 61 | I | 96.9 | Very high | 96 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 174.5 | -68.2 | 166.8 | 0 | 0 | 0 | 109.9 | V57 A58 V59 L63 C64 S65 | V57-I61 HydrophobicContact CG1-CD1 3.87Å; V57-I61 HydrophobicContact CG1-CG1 4.47Å; V57-I61 WeakPolarHBondContact O-CG1 3.34Å; V57-I61 PolarHBondContact O-N 3.48Å; A58-I61 PolarHBondContact O-N 3.28Å; V59-I61 PolarHBondContact O-N 3.06Å; I61-L63 PolarHBondContact O-N 3.49Å; I61-C64 PolarHBondContact O-N 3.47Å; I61-S65 WeakPolarHBondContact O-CB 3.07Å; I61-S65 PolarHBondContact O-N 2.96Å; I61-S65 PolarHBondContact O-OG 2.91Å |
| 62 | H | 97.5 | Very high | 95.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 179.4 | -175.4 | 58.9 | 0 | 0 | 0 | 112.7 | A58 V59 L60 S65 S66 F90 S93 L97 | A58-H62 WeakPolarHBondContact O-CB 3.11Å; A58-H62 PolarHBondContact O-N 3.01Å; V59-H62 PolarHBondContact O-N 2.86Å; L60-H62 VanDerWaalsContact C-N 3.32Å; L60-H62 PolarHBondContact O-N 3.43Å; H62-S65 PolarHBondContact O-N 3.31Å; H62-S66 VanDerWaalsContact O-CB 3.24Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 2.99Å; H62-F90 AromaticContact CE1-CE2 3.41Å; H62-F90 VanDerWaalsContact CE1-CE2 3.41Å; H62-F90 WeakPolarHBondContact CE1-CE2 3.47Å; H62-S93 PolarHBondContact ND1-OG 3.07Å; H62-L97 HydrophobicContact CB-CD2 4.46Å |
| 63 | L | 97.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176 | -71.3 | 173.6 | 0 | 0 | 0 | 111.6 | V59 L60 I61 S66 Y67 | V59-L63 HydrophobicContact CG1-CD1 3.99Å; V59-L63 HydrophobicContact CG1-CG 4.28Å; V59-L63 VanDerWaalsContact O-CG 3.31Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 3.33Å; L60-L63 PolarHBondContact O-N 3.41Å; I61-L63 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-N 3.34Å; L63-Y67 WeakPolarHBondContact O-CB 3.22Å; L63-Y67 PolarHBondContact O-N 2.84Å |
| 64 | C | 97 | Very high | 94.9 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 175.5 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | L60 I61 S66 Y67 C68 | L60-C64 PolarHBondContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.11Å; L60-C64 VanDerWaalsContact O-SG 3.41Å; I61-C64 PolarHBondContact O-N 3.47Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 2.96Å; C64-Y67 WeakPolarHBondContact O-CB 3.48Å; C64-Y67 PolarHBondContact O-N 3.22Å; C64-C68 PolarHBondContact O-N 3.39Å; C64-C68 PolarHBondContact O-SG 3.08Å |
| 65 | S | 95.9 | Very high | 94.5 | Very high | 17 Ų | 17 | 63 Ų | 63 | 12% | 0.119 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 112 | I61 H62 Y67 C68 W69 | I61-S65 WeakPolarHBondContact O-CB 3.07Å; I61-S65 PolarHBondContact O-N 2.96Å; I61-S65 PolarHBondContact O-OG 2.91Å; H62-S65 PolarHBondContact O-N 3.31Å; S65-Y67 VanDerWaalsContact C-N 3.33Å; S65-Y67 PolarHBondContact O-N 3.5Å; S65-C68 PolarHBondContact O-N 3.37Å; S65-W69 WeakPolarHBondContact O-CB 3.4Å; S65-W69 PolarHBondContact O-N 3.05Å |
| 66 | S | 95.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 70.4 Ų | 70.4 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 112 | H62 L63 C64 L70 | H62-S66 VanDerWaalsContact O-CB 3.24Å; H62-S66 WeakPolarHBondContact O-CB 3.35Å; H62-S66 PolarHBondContact O-N 2.99Å; L63-S66 PolarHBondContact O-N 3.34Å; C64-S66 VanDerWaalsContact C-N 3.33Å; C64-S66 PolarHBondContact O-N 2.96Å; S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 VanDerWaalsContact O-CG 3.24Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.88Å |
| 67 | Y | 95.7 | Very high | 93.5 | Very high | 160 Ų | 160 | 74.4 Ų | 74.4 | 63% | 0.627 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 176.4 | 176.6 | -100.3 | 0 | 0 | 0 | 111.4 | L63 C64 S65 W69 L70 V71 | L63-Y67 WeakPolarHBondContact O-CB 3.22Å; L63-Y67 PolarHBondContact O-N 2.84Å; C64-Y67 WeakPolarHBondContact O-CB 3.48Å; C64-Y67 PolarHBondContact O-N 3.22Å; S65-Y67 VanDerWaalsContact C-N 3.33Å; S65-Y67 PolarHBondContact O-N 3.5Å; Y67-W69 VanDerWaalsContact C-N 3.29Å; Y67-W69 PolarHBondContact O-N 3.28Å; Y67-L70 PolarHBondContact O-N 3.06Å; Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 4.15Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 3.16Å; Y67-V71 VanDerWaalsContact O-N 3.1Å |
| 68 | C | 93.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 72 Ų | 72 | 51% | 0.507 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | C64 S65 D72 | C64-C68 PolarHBondContact O-N 3.39Å; C64-C68 PolarHBondContact O-SG 3.08Å; S65-C68 PolarHBondContact O-N 3.37Å; C68-D72 PolarHBondContact O-N 3.28Å |
| 69 | W | 92.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 74.6 Ų | 74.6 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.5 | 176.6 | 42.3 | 0 | 0 | 0 | 112.9 | S65 Y67 D72 T75 F80 S83 L84 H87 F90 | S65-W69 WeakPolarHBondContact O-CB 3.4Å; S65-W69 PolarHBondContact O-N 3.05Å; Y67-W69 VanDerWaalsContact C-N 3.29Å; Y67-W69 PolarHBondContact O-N 3.28Å; W69-D72 PolarHBondContact O-N 3.47Å; W69-T75 HydrophobicContact CZ2-CG2 4.46Å; W69-T75 PolarHBondContact NE1-OG1 2.9Å; W69-T75 PolarHBondContact O-OG1 3.15Å; W69-F80 AromaticContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CZ2-CD2 4.45Å; W69-F80 HydrophobicContact CZ2-CE2 4.13Å; W69-S83 PolarHBondContact NE1-OG 3.46Å; W69-L84 HydrophobicContact CH2-CD2 4.26Å; W69-L84 HydrophobicContact CZ2-CD2 3.86Å; W69-H87 AromaticContact CD1-CD2 3.19Å; W69-H87 AromaticContact CD1-CG 3.37Å; W69-H87 AromaticContact CD1-NE2 3.74Å; W69-H87 HydrophobicContact CG-CB 4.34Å; W69-H87 AromaticContact NE1-CD2 3.67Å; W69-F90 HydrophobicContact CB-CB 4.33Å; W69-F90 HydrophobicContact CD2-CD1 4.15Å; W69-F90 HydrophobicContact CD2-CE1 4.41Å; W69-F90 HydrophobicContact CD2-CG 4.28Å; W69-F90 AromaticContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD2 4.11Å; W69-F90 AromaticContact CE3-CE1 3.83Å; W69-F90 HydrophobicContact CE3-CE1 3.83Å; W69-F90 AromaticContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CG 4.09Å; W69-F90 AromaticContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CG-CG 4.47Å; W69-F90 HydrophobicContact CH2-CE1 4.26Å; W69-F90 HydrophobicContact CZ3-CD1 4.3Å; W69-F90 AromaticContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE2 4.29Å; W69-F90 AromaticContact CZ3-CZ 3.74Å; W69-F90 HydrophobicContact CZ3-CZ 3.74Å |
| 70 | L | 92.2 | Very high | 91.9 | Very high | 84 Ų | 84 | 78.3 Ų | 78.3 | 44% | 0.44 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.1 | -27.3 | -177.4 | -74.3 | 168.8 | 0 | 0 | 0 | 114.2 | S66 Y67 Y76 | S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 VanDerWaalsContact O-CG 3.24Å; S66-L70 WeakPolarHBondContact O-CG 3.44Å; S66-L70 PolarHBondContact O-N 2.88Å; Y67-L70 PolarHBondContact O-N 3.06Å; L70-Y76 PolarHBondContact O-OH 2.9Å |
| 71 | V | 93.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 78.5 Ų | 78.5 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -84.8 | -16.5 | 178.5 | 177 | 0 | 0 | 0 | 0 | 111.8 | Y67 | Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 4.15Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 WeakPolarHBondContact O-CG2 3.27Å; Y67-V71 PolarHBondContact O-N 3.16Å; Y67-V71 VanDerWaalsContact O-N 3.1Å |
| 72 | D | 90.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 75.6 Ų | 75.6 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | trans | -67.8 | 123 | 179.1 | -165.4 | -37.8 | 0 | 0 | 0 | 111.3 | C68 W69 V74 T75 H87 | C68-D72 PolarHBondContact O-N 3.28Å; W69-D72 PolarHBondContact O-N 3.47Å; D72-V74 PolarHBondContact O-N 3.08Å; D72-V74 VanDerWaalsContact OD1-CB 3.23Å; D72-V74 WeakPolarHBondContact OD1-CB 3.35Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-V74 PolarHBondContact OD1-N 3.26Å; D72-T75 VanDerWaalsContact O-CB 3.28Å; D72-T75 WeakPolarHBondContact O-CB 3.3Å; D72-T75 PolarHBondContact O-N 3.28Å; D72-T75 VanDerWaalsContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.44Å; D72-H87 IonicContact OD2-CE1 3.1Å; D72-H87 PolarHBondContact OD2-CE1 3.45Å; D72-H87 IonicContact OD2-NE2 3.57Å | ||
| 73 | P | 88.3 | Confident | 90.8 | Very high | 86 Ų | 86 | 74 Ų | 74 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.3 | 176.1 | 24.9 | -35.9 | 0 | 0 | 0 | 113.6 | T75 Y76 Q77 | P73-T75 PolarHBondContact O-N 3.11Å; P73-Y76 PolarHBondContact O-N 3.18Å; P73-Q77 WeakPolarHBondContact O-CG 3.31Å |
| 74 | V | 86.9 | Confident | 90.4 | Very high | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -25 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | D72 Y76 Q77 A78 K86 | D72-V74 PolarHBondContact O-N 3.08Å; D72-V74 VanDerWaalsContact OD1-CB 3.23Å; D72-V74 WeakPolarHBondContact OD1-CB 3.35Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.47Å; D72-V74 PolarHBondContact OD1-N 3.26Å; V74-Y76 PolarHBondContact O-N 3.46Å; V74-Q77 PolarHBondContact O-N 3.09Å; V74-A78 PolarHBondContact O-N 3.29Å; V74-K86 HydrophobicContact CG1-CD 3.36Å; V74-K86 VanDerWaalsContact CG1-NZ 3.28Å |
| 75 | T | 86.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.9 | -32.1 | 178 | -65.1 | 0 | 0 | 0 | 0 | 113 | W69 D72 P73 | W69-T75 HydrophobicContact CZ2-CG2 4.46Å; W69-T75 PolarHBondContact NE1-OG1 2.9Å; W69-T75 PolarHBondContact O-OG1 3.15Å; D72-T75 VanDerWaalsContact O-CB 3.28Å; D72-T75 WeakPolarHBondContact O-CB 3.3Å; D72-T75 PolarHBondContact O-N 3.28Å; D72-T75 VanDerWaalsContact O-N 3.1Å; D72-T75 PolarHBondContact O-OG1 3.44Å; P73-T75 PolarHBondContact O-N 3.11Å |
| 76 | Y | 84.7 | Confident | 89.8 | Confident | 180 Ų | 180 | 79.1 Ų | 79.1 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -90.6 | -14.9 | 177.2 | -55.9 | -80.2 | 0 | 0 | 0 | 113.2 | L70 P73 V74 | L70-Y76 PolarHBondContact O-OH 2.9Å; P73-Y76 PolarHBondContact O-N 3.18Å; V74-Y76 PolarHBondContact O-N 3.46Å |
| 77 | Q | 88.3 | Confident | 89.6 | Confident | 153 Ų | 153 | 78.1 Ų | 78.1 | 72% | 0.715 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -89.3 | -34.2 | -178.2 | -65.6 | 176.7 | 7.3 | 0 | 0 | 112.4 | P73 V74 | P73-Q77 WeakPolarHBondContact O-CG 3.31Å; V74-Q77 PolarHBondContact O-N 3.09Å |
| 78 | A | 82.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -92.3 | 147.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V74 | V74-A78 PolarHBondContact O-N 3.29Š|
| 79 | G | 86.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 60% | 0.598 | 39% | 0.391 | S | S | * | . | trans | -59.7 | 159.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I81 G82 S83 | G79-I81 PolarHBondContact O-N 2.84Å; G79-G82 CarbonylContact O-C 3.51Å; G79-G82 WeakPolarHBondContact O-CA 3.38Å; G79-G82 PolarHBondContact O-N 3.22Å; G79-S83 PolarHBondContact O-N 3.31Å | ||
| 80 | F | 87.7 | Confident | 89.6 | Confident | 139 Ų | 139 | 73.5 Ų | 73.5 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -48.1 | -50.8 | -171 | 180 | -105.7 | 0 | 0 | 0 | 114.8 | W69 S83 L84 | W69-F80 AromaticContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CH2-CE2 3.85Å; W69-F80 HydrophobicContact CZ2-CD2 4.45Å; W69-F80 HydrophobicContact CZ2-CE2 4.13Å; F80-S83 WeakPolarHBondContact O-CB 3.45Å; F80-S83 PolarHBondContact O-N 3.05Å; F80-L84 HydrophobicContact CD1-CD1 4.06Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CE2-CD1 4.46Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CG 4.34Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.01Å |
| 81 | I | 89.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 57% | 0.574 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 178.6 | -58.5 | -60.8 | 0 | 0 | 0 | 111.3 | G79 S83 L84 E85 | G79-I81 PolarHBondContact O-N 2.84Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.3Å; I81-L84 PolarHBondContact O-N 3.41Å; I81-E85 PolarHBondContact O-N 3.04Å |
| 82 | G | 89.7 | Confident | 89.8 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 26% | 0.258 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.9 | -27.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G79 K86 | G79-G82 CarbonylContact O-C 3.51Å; G79-G82 WeakPolarHBondContact O-CA 3.38Å; G79-G82 PolarHBondContact O-N 3.22Å; G82-K86 WeakPolarHBondContact O-CG 3.44Å |
| 83 | S | 90.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 169.2 | 173.2 | 0 | 0 | 0 | 0 | 110 | W69 G79 F80 I81 E85 K86 H87 | W69-S83 PolarHBondContact NE1-OG 3.46Å; G79-S83 PolarHBondContact O-N 3.31Å; F80-S83 WeakPolarHBondContact O-CB 3.45Å; F80-S83 PolarHBondContact O-N 3.05Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.3Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.35Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 2.9Å; S83-H87 PolarHBondContact O-CD2 3.17Å; S83-H87 PolarHBondContact O-N 3.22Å |
| 84 | L | 90.8 | Very high | 90.5 | Very high | 34 Ų | 34 | 70 Ų | 70 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -38.4 | 177.8 | -69.6 | 176.9 | 0 | 0 | 0 | 113.3 | W69 F80 I81 K86 H87 F90 V91 | W69-L84 HydrophobicContact CH2-CD2 4.26Å; W69-L84 HydrophobicContact CZ2-CD2 3.86Å; F80-L84 HydrophobicContact CD1-CD1 4.06Å; F80-L84 HydrophobicContact CE1-CD1 3.52Å; F80-L84 HydrophobicContact CE1-CG 4.38Å; F80-L84 HydrophobicContact CE2-CD1 4.46Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CG 4.34Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.01Å; I81-L84 PolarHBondContact O-N 3.41Å; L84-K86 PolarHBondContact O-N 3.48Å; L84-H87 CarbonylContact O-C 3.44Å; L84-H87 PolarHBondContact O-N 3.21Å; L84-H87 VanDerWaalsContact O-N 3.11Å; L84-F90 HydrophobicContact CD2-CD1 3.68Å; L84-F90 HydrophobicContact CD2-CE1 3.78Å; L84-V91 HydrophobicContact CB-CG2 4.15Å; L84-V91 HydrophobicContact CD2-CG2 4.2Å |
| 85 | E | 88.8 | Confident | 91 | Very high | 153 Ų | 153 | 72.9 Ų | 72.9 | 72% | 0.715 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -30.4 | 175.6 | -74.4 | -179.8 | 167 | 0 | 0 | 113 | I81 S83 H87 | I81-E85 PolarHBondContact O-N 3.04Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 PolarHBondContact O-N 3.35Å; E85-H87 VanDerWaalsContact C-N 3.33Å |
| 86 | K | 90.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 77.1 Ų | 77.1 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -81.6 | -12.7 | 176.8 | -68.4 | -176.4 | -176.7 | 179.3 | 0 | 113.6 | V74 G82 S83 L84 P88 | V74-K86 HydrophobicContact CG1-CD 3.36Å; V74-K86 VanDerWaalsContact CG1-NZ 3.28Å; G82-K86 WeakPolarHBondContact O-CG 3.44Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 2.9Å; L84-K86 PolarHBondContact O-N 3.48Å; K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å |
| 87 | H | 92.3 | Very high | 92 | Very high | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.032 | 37% | 0.367 | C | S | . | . | trans | -121.7 | 63 | -176.7 | -68.8 | -72.7 | 0 | 0 | 0 | 112.2 | W69 D72 S83 L84 E85 E89 F90 V91 | W69-H87 AromaticContact CD1-CD2 3.19Å; W69-H87 AromaticContact CD1-CG 3.37Å; W69-H87 AromaticContact CD1-NE2 3.74Å; W69-H87 HydrophobicContact CG-CB 4.34Å; W69-H87 AromaticContact NE1-CD2 3.67Å; D72-H87 IonicContact OD2-CE1 3.1Å; D72-H87 PolarHBondContact OD2-CE1 3.45Å; D72-H87 IonicContact OD2-NE2 3.57Å; S83-H87 PolarHBondContact O-CD2 3.17Å; S83-H87 PolarHBondContact O-N 3.22Å; L84-H87 CarbonylContact O-C 3.44Å; L84-H87 PolarHBondContact O-N 3.21Å; L84-H87 VanDerWaalsContact O-N 3.11Å; E85-H87 VanDerWaalsContact C-N 3.33Å; H87-E89 VanDerWaalsContact C-OE2 3.28Å; H87-E89 WeakPolarHBondContact CA-OE2 3.45Å; H87-E89 IonicContact CG-OE1 3.64Å; H87-E89 IonicContact ND1-OE1 2.92Å; H87-E89 PolarHBondContact ND1-OE1 2.77Å; H87-E89 PolarHBondContact O-N 2.82Å; H87-F90 HydrophobicContact CB-CB 4.43Å; H87-F90 PolarHBondContact O-N 3.05Å; H87-V91 PolarHBondContact O-N 3.2Å | ||
| 88 | P | 92.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -29.2 | -178.8 | 26.4 | -35.6 | 0 | 0 | 0 | 112.9 | K86 F90 V91 L92 | K86-P88 VanDerWaalsContact O-CD 3.28Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.29Å; P88-V91 PolarHBondContact O-N 2.83Å; P88-L92 VanDerWaalsContact O-CB 3.28Å; P88-L92 WeakPolarHBondContact O-CB 3.5Å; P88-L92 VanDerWaalsContact O-CG 3.22Å; P88-L92 WeakPolarHBondContact O-CG 3.09Å; P88-L92 PolarHBondContact O-N 3.29Å |
| 89 | E | 93 | Very high | 93 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.9 | 66.8 | -73.2 | 176.7 | 0 | 0 | 112.4 | H87 S93 | H87-E89 VanDerWaalsContact C-OE2 3.28Å; H87-E89 WeakPolarHBondContact CA-OE2 3.45Å; H87-E89 IonicContact CG-OE1 3.64Å; H87-E89 IonicContact ND1-OE1 2.92Å; H87-E89 PolarHBondContact ND1-OE1 2.77Å; H87-E89 PolarHBondContact O-N 2.82Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.32Å; E89-S93 PolarHBondContact O-OG 3.11Å |
| 90 | F | 94.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 177.1 | 173.4 | -105.7 | 0 | 0 | 0 | 110.4 | H62 W69 L84 H87 P88 L92 S93 L94 | H62-F90 AromaticContact CE1-CE2 3.41Å; H62-F90 VanDerWaalsContact CE1-CE2 3.41Å; H62-F90 WeakPolarHBondContact CE1-CE2 3.47Å; W69-F90 HydrophobicContact CB-CB 4.33Å; W69-F90 HydrophobicContact CD2-CD1 4.15Å; W69-F90 HydrophobicContact CD2-CE1 4.41Å; W69-F90 HydrophobicContact CD2-CG 4.28Å; W69-F90 AromaticContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD1 3.96Å; W69-F90 HydrophobicContact CE3-CD2 4.11Å; W69-F90 AromaticContact CE3-CE1 3.83Å; W69-F90 HydrophobicContact CE3-CE1 3.83Å; W69-F90 AromaticContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CE2 3.98Å; W69-F90 HydrophobicContact CE3-CG 4.09Å; W69-F90 AromaticContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CE3-CZ 3.84Å; W69-F90 HydrophobicContact CG-CG 4.47Å; W69-F90 HydrophobicContact CH2-CE1 4.26Å; W69-F90 HydrophobicContact CZ3-CD1 4.3Å; W69-F90 AromaticContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE1 3.75Å; W69-F90 HydrophobicContact CZ3-CE2 4.29Å; W69-F90 AromaticContact CZ3-CZ 3.74Å; W69-F90 HydrophobicContact CZ3-CZ 3.74Å; L84-F90 HydrophobicContact CD2-CD1 3.68Å; L84-F90 HydrophobicContact CD2-CE1 3.78Å; H87-F90 HydrophobicContact CB-CB 4.43Å; H87-F90 PolarHBondContact O-N 3.05Å; P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.29Å; F90-L92 PolarHBondContact O-N 3.41Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-OG 2.99Å; F90-L94 HydrophobicContact CE1-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.47Å; F90-L94 PolarHBondContact O-N 2.7Å |
| 91 | V | 95.5 | Very high | 93.8 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | -179.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | L84 H87 P88 S93 L94 L95 | L84-V91 HydrophobicContact CB-CG2 4.15Å; L84-V91 HydrophobicContact CD2-CG2 4.2Å; H87-V91 PolarHBondContact O-N 3.2Å; P88-V91 PolarHBondContact O-N 2.83Å; V91-S93 PolarHBondContact O-N 3.29Å; V91-L94 PolarHBondContact O-N 3.05Å; V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 HydrophobicContact CG1-CG 4.34Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.13Å; V91-L95 PolarHBondContact O-N 2.94Å |
| 92 | L | 95.8 | Very high | 94.1 | Very high | 115 Ų | 115 | 66.2 Ų | 66.2 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 178 | -72.6 | 172.4 | 0 | 0 | 0 | 112 | P88 F90 L94 L95 F96 | P88-L92 VanDerWaalsContact O-CB 3.28Å; P88-L92 WeakPolarHBondContact O-CB 3.5Å; P88-L92 VanDerWaalsContact O-CG 3.22Å; P88-L92 WeakPolarHBondContact O-CG 3.09Å; P88-L92 PolarHBondContact O-N 3.29Å; F90-L92 PolarHBondContact O-N 3.41Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L92-L95 PolarHBondContact O-N 2.94Å; L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 PolarHBondContact O-N 3.42Å |
| 93 | S | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 111.8 | H62 E89 F90 V91 L97 | H62-S93 PolarHBondContact ND1-OG 3.07Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.32Å; E89-S93 PolarHBondContact O-OG 3.11Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-OG 2.99Å; V91-S93 PolarHBondContact O-N 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.23Å; S93-L97 PolarHBondContact O-N 2.96Å |
| 94 | L | 96.7 | Very high | 94.3 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.8 | -46.8 | 178.5 | -179.5 | 61.2 | 0 | 0 | 0 | 111.2 | F90 V91 L92 F96 L97 M98 | F90-L94 HydrophobicContact CE1-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CD2 4.46Å; F90-L94 WeakPolarHBondContact O-CB 3.47Å; F90-L94 PolarHBondContact O-N 2.7Å; V91-L94 PolarHBondContact O-N 3.05Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-M98 HydrophobicContact CG-SD 4.33Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.31Å |
| 95 | L | 96.7 | Very high | 94.4 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.2 | -72.3 | 177.5 | 0 | 0 | 0 | 111.7 | V91 L92 M98 A99 | V91-L95 HydrophobicContact CG1-CD1 4.04Å; V91-L95 HydrophobicContact CG1-CG 4.34Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.13Å; V91-L95 PolarHBondContact O-N 2.94Å; L92-L95 PolarHBondContact O-N 2.94Å; L95-M98 PolarHBondContact O-N 3.12Å; L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 3.44Å |
| 96 | F | 96 | Very high | 94.6 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.6 | -179.8 | -110.3 | 0 | 0 | 0 | 111.8 | A58 L92 L94 A99 L100 | A58-F96 HydrophobicContact CB-CD1 4.18Å; A58-F96 HydrophobicContact CB-CE1 3.91Å; L92-F96 VanDerWaalsContact O-CB 3.29Å; L92-F96 WeakPolarHBondContact O-CB 3.38Å; L92-F96 PolarHBondContact O-N 3.42Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.47Å; F96-A99 PolarHBondContact O-N 3.22Å; F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.88Å; F96-L100 HydrophobicContact CZ-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CG 4.18Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.02Å |
| 97 | L | 96.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 69 Ų | 69 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.2 | -172.1 | 65.3 | 0 | 0 | 0 | 111.2 | A58 V59 H62 S93 L94 A99 L100 F101 | A58-L97 HydrophobicContact CB-CD1 4.14Å; V59-L97 HydrophobicContact CG2-CD1 4.04Å; H62-L97 HydrophobicContact CB-CD2 4.46Å; S93-L97 WeakPolarHBondContact O-CB 3.23Å; S93-L97 PolarHBondContact O-N 2.96Å; L94-L97 PolarHBondContact O-N 2.9Å; L97-A99 PolarHBondContact O-N 3.29Å; L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 2.85Å; L97-F101 HydrophobicContact CD1-CD2 4.44Å; L97-F101 HydrophobicContact CD1-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.44Å; L97-F101 HydrophobicContact CG-CD2 4.16Å; L97-F101 HydrophobicContact CG-CE2 3.87Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.12Å; L97-F101 VanDerWaalsContact O-N 3.11Å |
| 98 | M | 96.7 | Very high | 94.7 | Very high | 84 Ų | 84 | 72 Ų | 72 | 41% | 0.414 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 174.2 | -73.2 | 177.8 | 65.4 | 0 | 0 | 111.5 | L94 L95 L100 F101 F102 | L94-M98 HydrophobicContact CG-SD 4.33Å; L94-M98 WeakPolarHBondContact O-CB 3.46Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 3.31Å; L95-M98 PolarHBondContact O-N 3.12Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.14Å; M98-F101 WeakPolarHBondContact O-CB 3.33Å; M98-F101 PolarHBondContact O-N 2.71Å; M98-F101 VanDerWaalsContact O-N 3.11Å; M98-F102 HydrophobicContact CB-CD2 4.41Å; M98-F102 HydrophobicContact CB-CE2 4.3Å; M98-F102 HydrophobicContact CE-CE2 4.05Å; M98-F102 WeakPolarHBondContact O-CD2 3.46Å; M98-F102 PolarHBondContact O-N 3.01Å |
| 99 | A | 96.3 | Very high | 94.8 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L95 F96 L97 F101 F102 L103 | L95-A99 WeakPolarHBondContact O-CB 3.5Å; L95-A99 PolarHBondContact O-N 3.44Å; F96-A99 PolarHBondContact O-N 3.22Å; L97-A99 PolarHBondContact O-N 3.29Å; A99-F101 VanDerWaalsContact C-N 3.33Å; A99-F101 PolarHBondContact O-N 2.91Å; A99-F102 PolarHBondContact O-N 3.34Å; A99-L103 WeakPolarHBondContact O-CB 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.31Å; A99-L103 PolarHBondContact O-N 2.96Å |
| 100 | L | 95.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.8 | -72.8 | 173.8 | 0 | 0 | 0 | 112.2 | W51 V54 L55 A58 F96 L97 M98 G104 A105 | W51-L100 HydrophobicContact CZ3-CD2 4.05Å; V54-L100 HydrophobicContact CG1-CD1 4.24Å; V54-L100 HydrophobicContact CG1-CD2 4.1Å; L55-L100 HydrophobicContact CD2-CB 4.18Å; L55-L100 HydrophobicContact CD2-CD1 4.28Å; A58-L100 HydrophobicContact CB-CD1 3.6Å; F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.55Å; F96-L100 HydrophobicContact CE1-CG 4.24Å; F96-L100 HydrophobicContact CE2-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.88Å; F96-L100 HydrophobicContact CZ-CD2 4.29Å; F96-L100 HydrophobicContact CZ-CG 4.18Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.02Å; L97-L100 WeakPolarHBondContact O-CB 3.36Å; L97-L100 PolarHBondContact O-N 2.85Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.14Å; L100-G104 PolarHBondContact O-N 2.63Å; L100-A105 HydrophobicContact CB-CB 4.25Å; L100-A105 WeakPolarHBondContact O-CB 3.26Å; L100-A105 PolarHBondContact O-N 3.35Å |
| 101 | F | 94.8 | Very high | 94.8 | Very high | 108 Ų | 108 | 70 Ų | 70 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 175.4 | -81.6 | -71.1 | 0 | 0 | 0 | 112.2 | L97 M98 A99 L103 G104 H106 | L97-F101 HydrophobicContact CD1-CD2 4.44Å; L97-F101 HydrophobicContact CD1-CE2 3.94Å; L97-F101 HydrophobicContact CD2-CE2 4.44Å; L97-F101 HydrophobicContact CG-CD2 4.16Å; L97-F101 HydrophobicContact CG-CE2 3.87Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.12Å; L97-F101 VanDerWaalsContact O-N 3.11Å; M98-F101 WeakPolarHBondContact O-CB 3.33Å; M98-F101 PolarHBondContact O-N 2.71Å; M98-F101 VanDerWaalsContact O-N 3.11Å; A99-F101 VanDerWaalsContact C-N 3.33Å; A99-F101 PolarHBondContact O-N 2.91Å; F101-L103 PolarHBondContact O-N 3.5Å; F101-G104 WeakPolarHBondContact O-CA 3.47Å; F101-G104 PolarHBondContact O-N 2.76Å; F101-H106 HydrophobicContact CD1-CB 4.1Å; F101-H106 HydrophobicContact CE1-CB 4.2Å |
| 102 | F | 94.8 | Very high | 94.5 | Very high | 170 Ų | 170 | 68.5 Ų | 68.5 | 75% | 0.746 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.5 | -36 | 177.9 | -74.2 | -63.5 | 0 | 0 | 0 | 113.1 | M98 A99 G104 | M98-F102 HydrophobicContact CB-CD2 4.41Å; M98-F102 HydrophobicContact CB-CE2 4.3Å; M98-F102 HydrophobicContact CE-CE2 4.05Å; M98-F102 WeakPolarHBondContact O-CD2 3.46Å; M98-F102 PolarHBondContact O-N 3.01Å; A99-F102 PolarHBondContact O-N 3.34Å; F102-G104 PolarHBondContact O-N 2.8Å |
| 103 | L | 93.6 | Very high | 94.3 | Very high | 118 Ų | 118 | 65.8 Ų | 65.8 | 62% | 0.618 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 4.8 | 172 | -67.7 | 173.6 | 0 | 0 | 0 | 113.5 | A99 F101 A105 K108 | A99-L103 WeakPolarHBondContact O-CB 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.31Å; A99-L103 PolarHBondContact O-N 2.96Å; F101-L103 PolarHBondContact O-N 3.5Å; L103-A105 PolarHBondContact O-N 3.2Å; L103-K108 PolarHBondContact O-NZ 2.9Å |
| 104 | G | 91.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 69.2 Ų | 69.2 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 26.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | L100 F101 F102 H106 K107 K108 | L100-G104 PolarHBondContact O-N 2.63Å; F101-G104 WeakPolarHBondContact O-CA 3.47Å; F101-G104 PolarHBondContact O-N 2.76Å; F102-G104 PolarHBondContact O-N 2.8Å; G104-H106 PolarHBondContact O-N 2.83Å; G104-K107 PolarHBondContact O-N 3.26Å; G104-K107 VanDerWaalsContact O-N 3.09Å; G104-K108 WeakPolarHBondContact O-CG 3.44Å; G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.08Å |
| 105 | A | 92.4 | Very high | 94 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W51 L55 L100 L103 K107 K108 V109 | W51-A105 HydrophobicContact CD2-CB 4.5Å; W51-A105 HydrophobicContact CE3-CB 3.49Å; W51-A105 VanDerWaalsContact CE3-CB 3.49Å; W51-A105 HydrophobicContact CZ3-CB 3.62Å; L55-A105 HydrophobicContact CD1-CB 4.04Å; L55-A105 HydrophobicContact CD2-CB 3.87Å; L55-A105 HydrophobicContact CG-CB 4.1Å; L100-A105 HydrophobicContact CB-CB 4.25Å; L100-A105 WeakPolarHBondContact O-CB 3.26Å; L100-A105 PolarHBondContact O-N 3.35Å; L103-A105 PolarHBondContact O-N 3.2Å; A105-K107 PolarHBondContact O-N 3.46Å; A105-K108 WeakPolarHBondContact O-CB 3.45Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-K108 VanDerWaalsContact O-N 3.16Å; A105-V109 PolarHBondContact O-N 2.75Å; A105-V109 VanDerWaalsContact O-N 3.11Å |
| 106 | H | 92.5 | Very high | 93.8 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57 | -49.7 | 175.5 | -177.1 | -98.8 | 0 | 0 | 0 | 112.2 | F101 G104 K108 V109 V110 | F101-H106 HydrophobicContact CD1-CB 4.1Å; F101-H106 HydrophobicContact CE1-CB 4.2Å; G104-H106 PolarHBondContact O-N 2.83Å; H106-K108 PolarHBondContact O-N 3.15Å; H106-V109 WeakPolarHBondContact O-CG2 3.37Å; H106-V109 PolarHBondContact O-N 2.79Å; H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.27Å |
| 107 | K | 92.8 | Very high | 93.8 | Very high | 163 Ų | 163 | 63.5 Ų | 63.5 | 71% | 0.709 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.3 | -38.5 | 178.1 | -66.6 | -177.5 | -179.9 | 176.5 | 0 | 111.6 | G104 A105 V110 L111 | G104-K107 PolarHBondContact O-N 3.26Å; G104-K107 VanDerWaalsContact O-N 3.09Å; A105-K107 PolarHBondContact O-N 3.46Å; K107-V110 WeakPolarHBondContact O-CG2 3.19Å; K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.37Å |
| 108 | K | 93.3 | Very high | 93.6 | Very high | 70 Ų | 70 | 70.5 Ų | 70.5 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 179.9 | -66.3 | 167.6 | -177.8 | 155.1 | 0 | 112.8 | W51 L103 G104 A105 H106 | W51-K108 HydrophobicContact CD2-CB 4.39Å; W51-K108 HydrophobicContact CD2-CD 3.88Å; W51-K108 HydrophobicContact CG-CB 4.02Å; W51-K108 HydrophobicContact CG-CD 4.27Å; W51-K108 HydrophobicContact CH2-CD 4.3Å; W51-K108 HydrophobicContact CZ2-CD 3.63Å; W51-K108 VanDerWaalsContact CZ2-NZ 3.32Å; L103-K108 PolarHBondContact O-NZ 2.9Å; G104-K108 WeakPolarHBondContact O-CG 3.44Å; G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.08Å; A105-K108 WeakPolarHBondContact O-CB 3.45Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-K108 VanDerWaalsContact O-N 3.16Å; H106-K108 PolarHBondContact O-N 3.15Å |
| 109 | V | 94.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 67.4 Ų | 67.4 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -78.7 | -28.7 | 179.7 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | W51 R52 L55 A105 H106 | W51-V109 HydrophobicContact CB-CG1 3.39Å; R52-V109 HydrophobicContact CB-CG1 4.47Å; R52-V109 HydrophobicContact CG-CB 3.95Å; R52-V109 HydrophobicContact CG-CG1 3.73Å; R52-V109 PolarHBondContact NH2-O 3.22Å; L55-V109 HydrophobicContact CD1-CG1 3.93Å; L55-V109 HydrophobicContact CD1-CG2 4.14Å; A105-V109 PolarHBondContact O-N 2.75Å; A105-V109 VanDerWaalsContact O-N 3.11Å; H106-V109 WeakPolarHBondContact O-CG2 3.37Å; H106-V109 PolarHBondContact O-N 2.79Å |
| 110 | V | 93.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 69 Ų | 69 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -90.4 | -15.7 | -178.2 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | H106 K107 S113 I114 | H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.27Å; K107-V110 WeakPolarHBondContact O-CG2 3.19Å; V110-S113 PolarHBondContact O-N 2.77Å; V110-S113 PolarHBondContact O-OG 2.77Å; V110-I114 HydrophobicContact CB-CD1 4.11Å; V110-I114 HydrophobicContact CB-CG1 4.47Å; V110-I114 HydrophobicContact CG2-CD1 3.57Å; V110-I114 HydrophobicContact CG2-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 2.79Å |
| 111 | L | 93.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.8 | -45.8 | -174.1 | -173 | 62.7 | 0 | 0 | 0 | 114.3 | L44 K107 S113 I114 I115 | L44-L111 HydrophobicContact CD1-CD2 4.11Å; L44-L111 HydrophobicContact CD1-CG 4.09Å; L44-L111 HydrophobicContact CD2-CD2 3.91Å; K107-L111 WeakPolarHBondContact O-CB 3.37Å; K107-L111 PolarHBondContact O-N 3.37Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 3.44Å; L111-I114 PolarHBondContact O-N 2.83Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.43Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 WeakPolarHBondContact O-CG1 3.49Å; L111-I115 PolarHBondContact O-N 3.36Å; L111-I115 VanDerWaalsContact O-N 3.11Å |
| 112 | P | 90.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 71 Ų | 71 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.7 | -17 | 27 | 0 | 0 | 0 | 112.6 | L44 A48 I115 A116 | L44-P112 HydrophobicContact CB-CB 4.44Å; L44-P112 HydrophobicContact CB-CG 3.96Å; A48-P112 HydrophobicContact CB-CG 3.55Å; P112-I115 PolarHBondContact O-N 2.83Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.41Å |
| 113 | S | 91.2 | Very high | 93.1 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 179.2 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | V110 L111 H117 | V110-S113 PolarHBondContact O-N 2.77Å; V110-S113 PolarHBondContact O-OG 2.77Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 3.44Å; S113-H117 WeakPolarHBondContact O-CB 3.45Å; S113-H117 PolarHBondContact O-N 3.33Å |
| 114 | I | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 177.3 | -68.5 | 170.8 | 0 | 0 | 0 | 110 | V110 L111 H117 R118 | V110-I114 HydrophobicContact CB-CD1 4.11Å; V110-I114 HydrophobicContact CB-CG1 4.47Å; V110-I114 HydrophobicContact CG2-CD1 3.57Å; V110-I114 HydrophobicContact CG2-CG1 4.44Å; V110-I114 WeakPolarHBondContact O-CG1 3.48Å; V110-I114 PolarHBondContact O-N 2.79Å; L111-I114 PolarHBondContact O-N 2.83Å; I114-H117 PolarHBondContact O-N 3.2Å; I114-R118 HydrophobicContact CG2-CG 4.3Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 2.98Å |
| 115 | I | 93.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 179.2 | -67.3 | 168.4 | 0 | 0 | 0 | 110.2 | L37 I40 L44 L111 P112 H117 R118 S119 | L37-I115 HydrophobicContact CD1-CG2 4.05Å; I40-I115 HydrophobicContact CG2-CD1 3.9Å; I40-I115 HydrophobicContact CG2-CG2 4.35Å; L44-I115 HydrophobicContact CD1-CD1 3.43Å; L44-I115 VanDerWaalsContact CD1-CD1 3.43Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.43Å; L111-I115 HydrophobicContact CG-CD1 4.08Å; L111-I115 WeakPolarHBondContact O-CG1 3.49Å; L111-I115 PolarHBondContact O-N 3.36Å; L111-I115 VanDerWaalsContact O-N 3.11Å; P112-I115 PolarHBondContact O-N 2.83Å; I115-H117 VanDerWaalsContact C-N 3.27Å; I115-H117 PolarHBondContact O-N 2.85Å; I115-R118 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-OG 3.33Å; I115-S119 VanDerWaalsContact O-OG 3.12Å |
| 116 | A | 92.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.017 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I41 P112 S119 R120 | I41-A116 HydrophobicContact CD1-CB 4.14Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.41Å; A116-S119 PolarHBondContact O-N 3.31Å; A116-R120 WeakPolarHBondContact O-CG 3.49Å; A116-R120 PolarHBondContact O-N 3.08Å |
| 117 | H | 94.2 | Very high | 92.6 | Very high | 105 Ų | 105 | 72.6 Ų | 72.6 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 178 | -177.6 | 70.9 | 0 | 0 | 0 | 112.7 | S113 I114 I115 S119 R120 I121 | S113-H117 WeakPolarHBondContact O-CB 3.45Å; S113-H117 PolarHBondContact O-N 3.33Å; I114-H117 PolarHBondContact O-N 3.2Å; I115-H117 VanDerWaalsContact C-N 3.27Å; I115-H117 PolarHBondContact O-N 2.85Å; H117-S119 VanDerWaalsContact C-N 3.31Å; H117-S119 PolarHBondContact O-N 3.48Å; H117-R120 WeakPolarHBondContact O-CB 3.07Å; H117-R120 PolarHBondContact O-N 2.96Å; H117-R120 VanDerWaalsContact O-N 3.15Å; H117-I121 WeakPolarHBondContact O-CG1 3.28Å; H117-I121 PolarHBondContact O-N 3.36Å; H117-I121 VanDerWaalsContact O-N 3.09Å |
| 118 | R | 94.1 | Very high | 92.6 | Very high | 167 Ų | 167 | 65.6 Ų | 65.6 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61 | -42 | 176 | -69.2 | -70.1 | -177.5 | -177 | -0.1 | 111.3 | I114 I115 R120 I121 V122 | I114-R118 HydrophobicContact CG2-CG 4.3Å; I114-R118 VanDerWaalsContact O-CG 3.26Å; I114-R118 WeakPolarHBondContact O-CG 3.3Å; I114-R118 PolarHBondContact O-N 2.98Å; I115-R118 PolarHBondContact O-N 2.92Å; R118-R120 VanDerWaalsContact C-N 3.33Å; R118-R120 PolarHBondContact O-N 3.5Å; R118-I121 PolarHBondContact O-N 3.36Å; R118-V122 PolarHBondContact O-N 3.04Å |
| 119 | S | 94.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 173.8 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | L37 I115 A116 H117 I121 V122 L123 | L37-S119 WeakPolarHBondContact CD1-OG 3.41Å; I115-S119 PolarHBondContact O-N 2.92Å; I115-S119 PolarHBondContact O-OG 3.33Å; I115-S119 VanDerWaalsContact O-OG 3.12Å; A116-S119 PolarHBondContact O-N 3.31Å; H117-S119 VanDerWaalsContact C-N 3.31Å; H117-S119 PolarHBondContact O-N 3.48Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-I121 PolarHBondContact O-N 2.78Å; S119-V122 PolarHBondContact O-N 2.85Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.19Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 3.36Å |
| 120 | R | 94 | Very high | 92.4 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 176 | -72.2 | 177.1 | -163.3 | 150.4 | 16.1 | 113.5 | A116 H117 R118 L123 A124 C130 D131 N132 | A116-R120 WeakPolarHBondContact O-CG 3.49Å; A116-R120 PolarHBondContact O-N 3.08Å; H117-R120 WeakPolarHBondContact O-CB 3.07Å; H117-R120 PolarHBondContact O-N 2.96Å; H117-R120 VanDerWaalsContact O-N 3.15Å; R118-R120 VanDerWaalsContact C-N 3.33Å; R118-R120 PolarHBondContact O-N 3.5Å; R120-L123 PolarHBondContact O-N 3.2Å; R120-A124 WeakPolarHBondContact O-CB 3.37Å; R120-A124 PolarHBondContact O-N 3.25Å; R120-C130 PolarHBondContact NE-O 2.93Å; R120-D131 VanDerWaalsContact NH2-C 3.31Å; R120-D131 PolarHBondContact NH2-O 3.4Å; R120-D131 VanDerWaalsContact NH2-O 3.12Å; R120-N132 PolarHBondContact NH2-OD1 2.83Å |
| 121 | I | 94.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 178.7 | -67.3 | 167.6 | 0 | 0 | 0 | 109.7 | H117 R118 S119 A124 | H117-I121 WeakPolarHBondContact O-CG1 3.28Å; H117-I121 PolarHBondContact O-N 3.36Å; H117-I121 VanDerWaalsContact O-N 3.09Å; R118-I121 PolarHBondContact O-N 3.36Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-I121 PolarHBondContact O-N 2.78Å; I121-A124 WeakPolarHBondContact O-CB 3.41Å; I121-A124 PolarHBondContact O-N 3.3Å |
| 122 | V | 92.7 | Very high | 92 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.5 | 179 | 0 | 0 | 0 | 0 | 111.2 | R118 S119 A124 E125 Y126 | R118-V122 PolarHBondContact O-N 3.04Å; S119-V122 PolarHBondContact O-N 2.85Å; V122-A124 VanDerWaalsContact C-N 3.26Å; V122-A124 PolarHBondContact O-N 3.12Å; V122-E125 PolarHBondContact O-N 2.95Å; V122-Y126 WeakPolarHBondContact O-CD2 3.48Å |
| 123 | L | 92.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -28 | 179.9 | -73 | 173.8 | 0 | 0 | 0 | 113.2 | F33 S119 R120 E125 Y126 M128 C130 L136 | F33-L123 HydrophobicContact CE1-CD1 4.22Å; F33-L123 HydrophobicContact CE1-CD2 4.13Å; F33-L123 HydrophobicContact CE1-CG 4.49Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.19Å; S119-L123 WeakPolarHBondContact O-CG 3.42Å; S119-L123 PolarHBondContact O-N 3.36Å; R120-L123 PolarHBondContact O-N 3.2Å; L123-E125 PolarHBondContact O-N 3.1Å; L123-Y126 PolarHBondContact O-N 2.64Å; L123-M128 CarbonylContact C-O 3.15Å; L123-M128 HydrophobicContact CB-CB 3.94Å; L123-M128 HydrophobicContact CD2-CB 4.03Å; L123-M128 HydrophobicContact CD2-SD 4.17Å; L123-M128 HydrophobicContact CG-CB 4.48Å; L123-M128 CarbonylContact O-C 3.56Å; L123-M128 WeakPolarHBondContact O-CA 3.19Å; L123-M128 WeakPolarHBondContact O-CB 3.33Å; L123-M128 PolarHBondContact O-N 2.64Å; L123-C130 HydrophobicContact CD1-CB 3.79Å; L123-L136 HydrophobicContact CD1-CG 4.37Å |
| 124 | A | 90.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -31.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R120 I121 V122 Y126 N127 M128 | R120-A124 WeakPolarHBondContact O-CB 3.37Å; R120-A124 PolarHBondContact O-N 3.25Å; I121-A124 WeakPolarHBondContact O-CB 3.41Å; I121-A124 PolarHBondContact O-N 3.3Å; V122-A124 VanDerWaalsContact C-N 3.26Å; V122-A124 PolarHBondContact O-N 3.12Å; A124-Y126 PolarHBondContact O-N 2.68Å; A124-N127 PolarHBondContact O-N 2.82Å; A124-M128 WeakPolarHBondContact CA-O 3.49Å; A124-M128 PolarHBondContact N-O 3.22Å |
| 125 | E | 90.1 | Very high | 91.6 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.9 | 175.5 | -61.6 | 177.2 | -174.9 | 0 | 0 | 112.3 | V122 L123 | V122-E125 PolarHBondContact O-N 2.95Å; L123-E125 PolarHBondContact O-N 3.1Å |
| 126 | Y | 89.2 | Confident | 91.5 | Very high | 157 Ų | 157 | 64.2 Ų | 64.2 | 62% | 0.616 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 15.2 | -178.7 | -59.8 | -84 | 0 | 0 | 0 | 113.2 | V122 L123 A124 M128 | V122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L123-Y126 PolarHBondContact O-N 2.64Å; A124-Y126 PolarHBondContact O-N 2.68Å; Y126-M128 WeakPolarHBondContact O-CG 3.48Å; Y126-M128 PolarHBondContact O-N 2.67Å |
| 127 | N | 89.6 | Confident | 91.3 | Very high | 73 Ų | 73 | 68 Ų | 68 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 35.7 | -170.4 | -59.5 | -69.5 | 0 | 0 | 0 | 112.5 | A124 R139 | A124-N127 PolarHBondContact O-N 2.82Å; N127-R139 WeakPolarHBondContact O-CA 3.43Å; N127-R139 VanDerWaalsContact O-CB 3.25Å; N127-R139 WeakPolarHBondContact O-CB 3.1Å; N127-R139 PolarHBondContact O-N 2.83Å |
| 128 | M | 91.2 | Very high | 91.1 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 161.7 | 175.2 | -53.1 | -175.2 | 101.6 | 0 | 0 | 109.8 | L30 L123 A124 Y126 L136 I137 L138 | L30-M128 HydrophobicContact CD2-CE 3.22Å; L30-M128 HydrophobicContact CD2-SD 4.17Å; L30-M128 HydrophobicContact CG-CE 3.92Å; L30-M128 HydrophobicContact CG-SD 4.5Å; L123-M128 CarbonylContact C-O 3.15Å; L123-M128 HydrophobicContact CB-CB 3.94Å; L123-M128 HydrophobicContact CD2-CB 4.03Å; L123-M128 HydrophobicContact CD2-SD 4.17Å; L123-M128 HydrophobicContact CG-CB 4.48Å; L123-M128 CarbonylContact O-C 3.56Å; L123-M128 WeakPolarHBondContact O-CA 3.19Å; L123-M128 WeakPolarHBondContact O-CB 3.33Å; L123-M128 PolarHBondContact O-N 2.64Å; A124-M128 WeakPolarHBondContact CA-O 3.49Å; A124-M128 PolarHBondContact N-O 3.22Å; Y126-M128 WeakPolarHBondContact O-CG 3.48Å; Y126-M128 PolarHBondContact O-N 2.67Å; M128-L136 HydrophobicContact CE-CD2 4.2Å; M128-I137 CarbonylContact C-O 3.53Å; M128-I137 WeakPolarHBondContact CA-O 3.34Å; M128-L138 HydrophobicContact CE-CD2 3.37Å; M128-L138 HydrophobicContact CE-CG 4.2Å; M128-L138 HydrophobicContact CG-CD2 4.25Å |
| 129 | A | 92.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 68.2 Ų | 68.2 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 170 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | L136 I137 | A129-L136 CarbonylContact O-C 3.46Å; A129-L136 WeakPolarHBondContact O-CA 3.35Å; A129-I137 HydrophobicContact CB-CB 4.42Å; A129-I137 PolarHBondContact N-O 2.84Å; A129-I137 PolarHBondContact O-N 2.86Å |
| 130 | C | 92.2 | Very high | 90 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.4 | 165 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | L37 R120 L123 K135 L136 | L37-C130 HydrophobicContact CD2-CB 4.16Å; R120-C130 PolarHBondContact NE-O 2.93Å; L123-C130 HydrophobicContact CD1-CB 3.79Å; C130-K135 CarbonylContact C-O 3.5Å; C130-K135 WeakPolarHBondContact CA-O 3.44Å; C130-K135 WeakPolarHBondContact CB-O 3.46Å; C130-L136 HydrophobicContact CB-CD1 4.46Å |
| 131 | D | 90.9 | Very high | 89 | Confident | 50 Ų | 50 | 77.2 Ų | 77.2 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | trans | -75.5 | -167.9 | 174.6 | 73.3 | 0.9 | 0 | 0 | 0 | 111.7 | R120 S133 G134 K135 I137 | R120-D131 VanDerWaalsContact NH2-C 3.31Å; R120-D131 PolarHBondContact NH2-O 3.4Å; R120-D131 VanDerWaalsContact NH2-O 3.12Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 VanDerWaalsContact OD1-CA 3.31Å; D131-S133 WeakPolarHBondContact OD1-CA 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 3.1Å; D131-S133 PolarHBondContact OD1-OG 3.25Å; D131-S133 PolarHBondContact OD2-OG 2.81Å; D131-G134 PolarHBondContact OD1-N 2.88Å; D131-K135 VanDerWaalsContact CG-CB 3.49Å; D131-K135 PolarHBondContact N-O 2.92Å; D131-K135 WeakPolarHBondContact OD1-CB 3.45Å; D131-K135 PolarHBondContact OD1-N 2.95Å; D131-K135 WeakPolarHBondContact OD2-CB 3.31Å; D131-I137 HydrophobicContact CB-CD1 4.28Å | ||
| 132 | N | 88.3 | Confident | 87.8 | Confident | 122 Ų | 122 | 77.6 Ų | 77.6 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -79.3 | -12 | 175 | -70.9 | -38.9 | 0 | 0 | 0 | 113.4 | I41 R120 | I41-N132 WeakPolarHBondContact CG2-O 3.25Å; R120-N132 PolarHBondContact NH2-OD1 2.83Å |
| 133 | S | 87.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -91.3 | -12.2 | 176.7 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | R38 D131 | R38-S133 VanDerWaalsContact CG-O 3.29Å; R38-S133 WeakPolarHBondContact CG-O 3.25Å; D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 VanDerWaalsContact OD1-CA 3.31Å; D131-S133 WeakPolarHBondContact OD1-CA 3.33Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 3.1Å; D131-S133 PolarHBondContact OD1-OG 3.25Å; D131-S133 PolarHBondContact OD2-OG 2.81Å |
| 134 | G | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 47% | 0.474 | C | S | . | . | trans | 93.5 | 9.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R38 D131 | R38-G134 PolarHBondContact NH2-O 3.39Å; D131-G134 PolarHBondContact OD1-N 2.88Å | ||
| 135 | K | 90.9 | Very high | 84.5 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | trans | -68.6 | 127.4 | 172.4 | -172.8 | 167.3 | -175.3 | -178.7 | 0 | 111.3 | C130 D131 | C130-K135 CarbonylContact C-O 3.5Å; C130-K135 WeakPolarHBondContact CA-O 3.44Å; C130-K135 WeakPolarHBondContact CB-O 3.46Å; D131-K135 VanDerWaalsContact CG-CB 3.49Å; D131-K135 PolarHBondContact N-O 2.92Å; D131-K135 WeakPolarHBondContact OD1-CB 3.45Å; D131-K135 PolarHBondContact OD1-N 2.95Å; D131-K135 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 136 | L | 92.4 | Very high | 84.2 | Confident | 23 Ų | 23 | 92.1 Ų | 92.1 | 12% | 0.12 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139.4 | 175.6 | -88.6 | 63.1 | 0 | 0 | 0 | 109.7 | L30 F33 E34 L37 L123 M128 A129 C130 | L30-L136 HydrophobicContact CG-CD2 4.44Å; F33-L136 HydrophobicContact CD1-CD1 3.96Å; F33-L136 HydrophobicContact CD1-CD2 3.98Å; F33-L136 HydrophobicContact CE1-CD1 4Å; F33-L136 HydrophobicContact CE1-CD2 4.42Å; E34-L136 HydrophobicContact CB-CD1 3.7Å; E34-L136 HydrophobicContact CB-CD2 4.41Å; E34-L136 HydrophobicContact CB-CG 4.48Å; E34-L136 HydrophobicContact CG-CD1 3.9Å; E34-L136 PolarHBondContact OE1-N 3.46Å; L37-L136 HydrophobicContact CD2-CD1 4.49Å; L123-L136 HydrophobicContact CD1-CG 4.37Å; M128-L136 HydrophobicContact CE-CD2 4.2Å; A129-L136 CarbonylContact O-C 3.46Å; A129-L136 WeakPolarHBondContact O-CA 3.35Å; C130-L136 HydrophobicContact CB-CD1 4.46Å |
| 137 | I | 89.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 88.4 Ų | 88.4 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.6 | 178.6 | -57.9 | 172.9 | 0 | 0 | 0 | 106.3 | M128 A129 D131 | M128-I137 CarbonylContact C-O 3.53Å; M128-I137 WeakPolarHBondContact CA-O 3.34Å; A129-I137 HydrophobicContact CB-CB 4.42Å; A129-I137 PolarHBondContact N-O 2.84Å; A129-I137 PolarHBondContact O-N 2.86Å; D131-I137 HydrophobicContact CB-CD1 4.28Å |
| 138 | L | 88.8 | Confident | 83.6 | Confident | 134 Ų | 134 | 89.4 Ų | 89.4 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.2 | 171.6 | -71.1 | 159.6 | 0 | 0 | 0 | 108.6 | M128 | M128-L138 HydrophobicContact CE-CD2 3.37Å; M128-L138 HydrophobicContact CE-CG 4.2Å; M128-L138 HydrophobicContact CG-CD2 4.25Å |
| 139 | R | 84.6 | Confident | 83.1 | Confident | 143 Ų | 143 | 93.9 Ų | 93.9 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 145.5 | 170.3 | -60.6 | -174.5 | 174 | 178.9 | 0.3 | 108.9 | N127 K141 | N127-R139 WeakPolarHBondContact O-CA 3.43Å; N127-R139 VanDerWaalsContact O-CB 3.25Å; N127-R139 WeakPolarHBondContact O-CB 3.1Å; N127-R139 PolarHBondContact O-N 2.83Å; R139-K141 PolarHBondContact O-N 3.49Å |
| 140 | P | 80.1 | Confident | 82.5 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 78% | 0.779 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 137 | 171.7 | -18.4 | 29.6 | 0 | 0 | 0 | 109.5 | ||
| 141 | K | 73.4 | Confident | 81.8 | Confident | 165 Ų | 165 | 106.3 Ų | 106.3 | 72% | 0.717 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.2 | 168.1 | -169.8 | 175.9 | -179.4 | 177.6 | 0 | 107.3 | R139 N143 | R139-K141 PolarHBondContact O-N 3.49Å; K141-N143 PolarHBondContact O-N 3.19Å |
| 142 | P | 70.7 | Confident | 81.1 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 116.9 | 171.8 | 21.4 | -29.6 | 0 | 0 | 0 | 107.8 | L144 | P142-L144 PolarHBondContact O-N 3Š|
| 143 | N | 69.2 | Low | 80.5 | Confident | 160 Ų | 160 | 109.7 Ų | 109.7 | 86% | 0.856 | 57% | 0.566 | S | S | * | * | trans | -64.4 | 115.3 | 171.2 | -63.2 | -29.9 | 0 | 0 | 0 | 105.9 | K141 | K141-N143 PolarHBondContact O-N 3.19Š| ||
| 144 | L | 51.4 | Low | 79.8 | Confident | 245 Ų | 245 | 115.5 Ų | 115.5 | 100% | 1.283 | 59% | 0.588 | S | S | * | * | trans | -67.7 | 0 | 162.1 | -110.4 | 96.9 | 0 | 0 | 0 | 108.9 | P142 | P142-L144 PolarHBondContact O-N 3Š|
Retrieved 144 of 144 residues in 174.5 ms
(Link to these results)