| 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 | 60 | Low | 82.8 | Confident | 213 Ų | 213 | 106.1 Ų | 106.1 | 100% | 1.049 | 56% | 0.561 | S | S | * | * | 0 | 133 | 0 | -78.6 | -165.7 | -85.8 | 0 | 0 | 108.5 | |||||
| 2 | S | 84.5 | Confident | 82.8 | Confident | 68 Ų | 68 | 100 Ų | 100 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | trans | -82 | 140 | -177.8 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | A4 L5 L6 | S2-A4 PolarHBondContact O-N 3.42Å; S2-L5 WeakPolarHBondContact O-CB 3.27Å; S2-L5 PolarHBondContact O-N 3.4Å; S2-L5 WeakPolarHBondContact OG-CB 3.46Å; S2-L6 PolarHBondContact O-N 3.28Å | ||
| 3 | A | 86.6 | Confident | 82.6 | Confident | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -30.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L5 L6 R7 | A3-L5 VanDerWaalsContact C-N 3.32Å; A3-L5 PolarHBondContact O-N 3.14Å; A3-L6 PolarHBondContact O-N 3.19Å; A3-R7 PolarHBondContact O-N 2.78Å; A3-R7 VanDerWaalsContact O-N 3.11Å |
| 4 | A | 83.6 | Confident | 82.3 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2 R8 | S2-A4 PolarHBondContact O-N 3.42Å; A4-R8 WeakPolarHBondContact O-CB 3.49Å; A4-R8 PolarHBondContact O-N 3.49Å; A4-R8 VanDerWaalsContact O-N 3.08Å |
| 5 | L | 82.1 | Confident | 81.2 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 178 | -169.7 | 155.3 | 0 | 0 | 0 | 110.8 | S2 A3 G9 | S2-L5 WeakPolarHBondContact O-CB 3.27Å; S2-L5 PolarHBondContact O-N 3.4Å; S2-L5 WeakPolarHBondContact OG-CB 3.46Å; A3-L5 VanDerWaalsContact C-N 3.32Å; A3-L5 PolarHBondContact O-N 3.14Å; L5-G9 PolarHBondContact O-N 2.97Å |
| 6 | L | 83.8 | Confident | 80.1 | Confident | 97 Ų | 97 | 92.6 Ų | 92.6 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.4 | -64.3 | 176.7 | 0 | 0 | 0 | 111.5 | S2 A3 G9 L10 | S2-L6 PolarHBondContact O-N 3.28Å; A3-L6 PolarHBondContact O-N 3.19Å; L6-G9 PolarHBondContact O-N 2.81Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.5Å |
| 7 | R | 87.8 | Confident | 78.9 | Confident | 155 Ų | 155 | 94.1 Ų | 94.1 | 59% | 0.585 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.9 | -52.7 | 176.7 | -80.1 | -178.3 | -97.8 | 143.5 | -11.9 | 112.3 | A3 G9 L10 E11 | A3-R7 PolarHBondContact O-N 2.78Å; A3-R7 VanDerWaalsContact O-N 3.11Å; R7-G9 PolarHBondContact O-N 2.74Å; R7-L10 PolarHBondContact O-N 2.72Å; R7-L10 VanDerWaalsContact O-N 3.14Å; R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 3.27Å |
| 8 | R | 84.2 | Confident | 77.7 | Confident | 132 Ų | 132 | 92.9 Ų | 92.9 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 178.6 | -165.1 | -178.5 | -178 | -178.8 | -1.1 | 112.5 | A4 L12 | A4-R8 WeakPolarHBondContact O-CB 3.49Å; A4-R8 PolarHBondContact O-N 3.49Å; A4-R8 VanDerWaalsContact O-N 3.08Å; R8-L12 VanDerWaalsContact O-CD1 3.31Å; R8-L12 WeakPolarHBondContact O-CD1 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.26Å; R8-L12 WeakPolarHBondContact O-CG 3.26Å |
| 9 | G | 85.1 | Confident | 76.2 | Confident | 29 Ų | 29 | 95.1 Ų | 95.1 | 30% | 0.299 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L5 L6 R7 | L5-G9 PolarHBondContact O-N 2.97Å; L6-G9 PolarHBondContact O-N 2.81Å; R7-G9 PolarHBondContact O-N 2.74Å |
| 10 | L | 86.2 | Confident | 74.9 | Confident | 124 Ų | 124 | 100.1 Ų | 100.1 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 179 | -67.3 | 175.3 | 0 | 0 | 0 | 112.4 | L6 R7 L12 L13 A14 | L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.5Å; R7-L10 PolarHBondContact O-N 2.72Å; R7-L10 VanDerWaalsContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.04Å; L10-L13 PolarHBondContact O-N 3.11Å; L10-L13 VanDerWaalsContact O-N 3.11Å; L10-A14 PolarHBondContact O-N 3.49Å |
| 11 | E | 86.7 | Confident | 73.5 | Confident | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58 | -36 | 178.3 | -75.3 | 166.5 | -168.4 | 0 | 0 | 113.1 | R7 L13 A14 | R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 3.27Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; E11-A14 PolarHBondContact O-N 2.76Å |
| 12 | L | 82.6 | Confident | 73.3 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 17% | 0.173 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -65.1 | -40.3 | 177.6 | -61.6 | 154.8 | 0 | 0 | 0 | 111.9 | R8 L10 Q93 Q97 | R8-L12 VanDerWaalsContact O-CD1 3.31Å; R8-L12 WeakPolarHBondContact O-CD1 3.33Å; R8-L12 VanDerWaalsContact O-CG 3.26Å; R8-L12 WeakPolarHBondContact O-CG 3.26Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.04Å; L12-Q93 PolarHBondContact O-NE2 3.08Å; L12-Q93 PolarHBondContact O-OE1 3.14Å; L12-Q97 HydrophobicContact CD1-CG 4.1Å; L12-Q97 VanDerWaalsContact CD1-NE2 3.29Å; L12-Q97 HydrophobicContact CD2-CB 4.19Å; L12-Q97 HydrophobicContact CD2-CG 3.8Å |
| 13 | L | 80.9 | Confident | 71.5 | Confident | 76 Ų | 76 | 100.1 Ų | 100.1 | 40% | 0.398 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -78.9 | -30.2 | -176.7 | -59.9 | 178.3 | 0 | 0 | 0 | 111 | L10 E11 A15 S16 E17 V90 I94 | L10-L13 PolarHBondContact O-N 3.11Å; L10-L13 VanDerWaalsContact O-N 3.11Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.25Å; L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.21Å; L13-S16 PolarHBondContact O-N 3.01Å; L13-E17 PolarHBondContact O-N 3.24Å; L13-V90 HydrophobicContact CD2-CG1 3.49Å; L13-V90 VanDerWaalsContact CD2-CG1 3.49Å; L13-I94 HydrophobicContact CD2-CD1 4.44Å |
| 14 | A | 78.4 | Confident | 69.5 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.6 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L10 E11 S16 E17 | L10-A14 PolarHBondContact O-N 3.49Å; E11-A14 PolarHBondContact O-N 2.76Å; A14-S16 PolarHBondContact O-N 3.39Å; A14-E17 PolarHBondContact O-N 3.2Å; A14-E17 VanDerWaalsContact O-N 3.14Å |
| 15 | A | 65.9 | Low | 67.8 | Low | 87 Ų | 87 | 106.7 Ų | 106.7 | 72% | 0.719 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -20.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L13 | L13-A15 VanDerWaalsContact C-N 3.34Å; L13-A15 PolarHBondContact O-N 3.21Å |
| 16 | S | 62.5 | Low | 66.2 | Low | 57 Ų | 57 | 108.3 Ų | 108.3 | 40% | 0.399 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -14.5 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | L13 A14 A18 V90 | L13-S16 PolarHBondContact O-N 3.01Å; A14-S16 PolarHBondContact O-N 3.39Å; S16-A18 PolarHBondContact O-N 2.96Å; S16-V90 WeakPolarHBondContact OG-CG2 3.47Å |
| 17 | E | 60.9 | Low | 64.7 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -87.2 | 103.6 | 173.3 | -62.5 | -133.7 | 138 | 0 | 0 | 107.9 | L13 A14 R20 | L13-E17 PolarHBondContact O-N 3.24Å; A14-E17 PolarHBondContact O-N 3.2Å; A14-E17 VanDerWaalsContact O-N 3.14Å; E17-R20 IonicContact OE1-NH1 3.2Å; E17-R20 PolarHBondContact OE1-NH1 3.37Å |
| 18 | A | 56.4 | Low | 62.7 | Low | 74 Ų | 74 | 111.6 Ų | 111.6 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | trans | -50.2 | 150.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | S16 R20 | S16-A18 PolarHBondContact O-N 2.96Å; A18-R20 PolarHBondContact O-N 3.39Å | ||
| 19 | P | 48.8 | Very low | 61 | Low | 134 Ų | 134 | 117 Ų | 117 | 87% | 0.87 | 66% | 0.658 | S | S | * | * | trans | -57.7 | 102 | -174 | 25.3 | -33.2 | 0 | 0 | 0 | 108.5 | ||||
| 20 | R | 50.6 | Low | 59.3 | Low | 194 Ų | 194 | 118.9 Ų | 118.9 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | -78.2 | 130.1 | 167.5 | -84.7 | -178 | 166.6 | 157.1 | -3.6 | 105.9 | E17 A18 | E17-R20 IonicContact OE1-NH1 3.2Å; E17-R20 PolarHBondContact OE1-NH1 3.37Å; A18-R20 PolarHBondContact O-N 3.39Å | ||
| 21 | D | 46.8 | Very low | 57.8 | Low | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -41.8 | 147.2 | 164.4 | -67.9 | -49.3 | 0 | 0 | 0 | 110.5 | ||||
| 22 | P | 54.1 | Low | 56.2 | Low | 109 Ų | 109 | 117 Ų | 117 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -50.2 | 145.3 | -178 | 22.7 | -34.5 | 0 | 0 | 0 | 110 | G24 | P22-G24 PolarHBondContact O-N 3.34Š| ||
| 23 | P | 46.9 | Very low | 54.8 | Low | 129 Ų | 129 | 121.7 Ų | 121.7 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | -56.3 | 103.7 | -177.9 | 22.6 | -31.9 | 0 | 0 | 0 | 109 | Q25 | P23-Q25 PolarHBondContact O-N 3.5Š| ||
| 24 | G | 45.2 | Very low | 53.6 | Low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -54.9 | 124.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | P22 T26 | P22-G24 PolarHBondContact O-N 3.34Å; G24-T26 PolarHBondContact O-N 3.46Å | ||
| 25 | Q | 48.3 | Very low | 52.6 | Low | 191 Ų | 191 | 135.7 Ų | 135.7 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -45.9 | 107.2 | 178.1 | -65 | 175.7 | 2.9 | 0 | 0 | 109.6 | P23 K27 | P23-Q25 PolarHBondContact O-N 3.5Å; Q25-K27 PolarHBondContact O-N 2.99Å | ||
| 26 | T | 47.7 | Very low | 52 | Low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 103.2 | 169.9 | 41.9 | 0 | 0 | 0 | 0 | 107 | G24 | G24-T26 PolarHBondContact O-N 3.46Š| ||
| 27 | K | 53.2 | Low | 51.9 | Low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -49.5 | 133.4 | 170.6 | -71.8 | -179.9 | 176.5 | 178.4 | 0 | 108.9 | Q25 R29 | Q25-K27 PolarHBondContact O-N 2.99Å; K27-R29 PolarHBondContact O-N 2.92Å | ||
| 28 | P | 45.4 | Very low | 51.8 | Low | 131 Ų | 131 | 148.3 Ų | 148.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 109.2 | 177.6 | 25.9 | -31.3 | 0 | 0 | 0 | 108.7 | G30 | P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | R | 49.4 | Very low | 51.9 | Low | 247 Ų | 247 | 150 Ų | 150 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -75.1 | 102.7 | 175.5 | -170.9 | 175.8 | -176 | -109.7 | 3.4 | 108.5 | K27 | K27-R29 PolarHBondContact O-N 2.92Š| ||
| 30 | G | 47.7 | Very low | 52.2 | Low | 68 Ų | 68 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 53.4 | 118.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | P28 | P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.15Å | ||
| 31 | A | 56.3 | Low | 52.4 | Low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -48.5 | 145.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V33 | A31-V33 PolarHBondContact O-N 2.9Å; A31-V33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | P | 52.3 | Low | 52.6 | Low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -69.6 | 115 | 176.7 | 27.4 | -31.4 | 0 | 0 | 0 | 110.2 | K34 | P32-K34 PolarHBondContact O-N 2.91Å; P32-K34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | V | 52.6 | Low | 52.6 | Low | 132 Ų | 132 | 148 Ų | 148 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -58.4 | 115.6 | 169.6 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | A31 R35 | A31-V33 PolarHBondContact O-N 2.9Å; A31-V33 VanDerWaalsContact O-N 3.17Å; V33-R35 PolarHBondContact O-N 2.87Å | ||
| 34 | K | 55.5 | Low | 52.7 | Low | 202 Ų | 202 | 145.6 Ų | 145.6 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -61.7 | 106.2 | 175.2 | -66.2 | -177.6 | -179.7 | 177.1 | 0 | 109.1 | P32 | P32-K34 PolarHBondContact O-N 2.91Å; P32-K34 VanDerWaalsContact O-N 3.12Å | ||
| 35 | R | 58.9 | Low | 53.1 | Low | 228 Ų | 228 | 151.1 Ų | 151.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 129 | 165.9 | -66.4 | -177.6 | -179.4 | 177.7 | -0.4 | 108.6 | V33 R37 | V33-R35 PolarHBondContact O-N 2.87Å; R35-R37 PolarHBondContact O-N 3.47Å | ||
| 36 | P | 51.9 | Low | 53.7 | Low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 111.4 | 175.7 | 25.5 | -31.1 | 0 | 0 | 0 | 109.5 | K38 | P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.34Å | ||
| 37 | R | 60.2 | Low | 54.2 | Low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -68.4 | 87.4 | 165.9 | -82.6 | 179.3 | 169.9 | 165.1 | -1.8 | 108.6 | R35 | R35-R37 PolarHBondContact O-N 3.47Š| ||
| 38 | K | 59.7 | Low | 54.6 | Low | 181 Ų | 181 | 152 Ų | 152 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -124.2 | 98.1 | 163.5 | -70.8 | -164.9 | -179 | -175.6 | 0 | 109.2 | P36 | P36-K38 VanDerWaalsContact C-N 3.29Å; P36-K38 PolarHBondContact O-N 3.34Å | ||
| 39 | T | 57.9 | Low | 55.5 | Low | 109 Ų | 109 | 151.5 Ų | 151.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | 172.7 | 58.3 | 151.1 | 29.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 40 | K | 55.3 | Low | 56.3 | Low | 172 Ų | 172 | 143.6 Ų | 143.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -97.9 | -2.2 | 168 | -80.5 | -166.9 | 174 | -170.7 | 0 | 113.8 | ||||
| 41 | A | 54.1 | Low | 57.3 | Low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -86.5 | -22.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 42 | I | 52.5 | Low | 58.2 | Low | 130 Ų | 130 | 149 Ų | 149 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -87.9 | -18 | -177.8 | -59.1 | 177.7 | 0 | 0 | 0 | 112.3 | ||
| 43 | Q | 53.2 | Low | 59.4 | Low | 149 Ų | 149 | 147.3 Ų | 147.3 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -82.6 | -21.7 | -177.7 | -72.8 | -174.8 | -2.7 | 0 | 0 | 114.2 | Q45 | Q43-Q45 VanDerWaalsContact C-N 3.34Å; Q43-Q45 PolarHBondContact O-N 3.47Å |
| 44 | A | 50.3 | Low | 60.7 | Low | 77 Ų | 77 | 147.2 Ų | 147.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -74.4 | -22.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | K46 | A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.96Å |
| 45 | Q | 53.5 | Low | 61.9 | Low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -81.5 | -10.4 | -177.3 | -160.6 | 171.9 | 6.1 | 0 | 0 | 113.7 | Q43 | Q43-Q45 VanDerWaalsContact C-N 3.34Å; Q43-Q45 PolarHBondContact O-N 3.47Å |
| 46 | K | 59.3 | Low | 63 | Low | 174 Ų | 174 | 138.5 Ų | 138.5 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -104.5 | 19.2 | -175.9 | -70.5 | -169.5 | 179.3 | -175.8 | 0 | 115 | A44 | A44-K46 VanDerWaalsContact C-N 3.34Å; A44-K46 PolarHBondContact O-N 2.96Å |
| 47 | L | 59.5 | Low | 64.6 | Low | 132 Ų | 132 | 140.4 Ų | 140.4 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -101.4 | 34 | 177.2 | -72.5 | 171.7 | 0 | 0 | 0 | 113.7 | N49 | L47-N49 PolarHBondContact O-N 3.31Š| ||
| 48 | R | 61.3 | Low | 66 | Low | 232 Ų | 232 | 131.9 Ų | 131.9 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | trans | -86.4 | 63.5 | 159.9 | -74.5 | -168.6 | 170.5 | -170 | -2.1 | 110 | S50 | R48-S50 PolarHBondContact O-N 2.97Š| ||
| 49 | N | 63.7 | Low | 67.4 | Low | 119 Ų | 119 | 127.1 Ų | 127.1 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -89.3 | 55.9 | 171.7 | -65.9 | -21.6 | 0 | 0 | 0 | 109.9 | L47 A51 | L47-N49 PolarHBondContact O-N 3.31Å; N49-A51 PolarHBondContact O-N 3.38Å | ||
| 50 | S | 67 | Low | 68.7 | Low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 70% | 0.698 | S | S | * | * | trans | -68.8 | 115.9 | 163.5 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | R48 K54 | R48-S50 PolarHBondContact O-N 2.97Å; S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.38Å | ||
| 51 | A | 68.2 | Low | 70.3 | Confident | 78 Ų | 78 | 123 Ų | 123 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | trans | -78.2 | -8.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N49 G53 K54 | N49-A51 PolarHBondContact O-N 3.38Å; A51-G53 PolarHBondContact O-N 3.31Å; A51-G53 VanDerWaalsContact O-N 3.17Å; A51-K54 PolarHBondContact O-N 3.08Å; A51-K54 VanDerWaalsContact O-N 3.08Å | ||
| 52 | K | 75.7 | Confident | 72 | Confident | 195 Ų | 195 | 120.8 Ų | 120.8 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 116.2 | -178.6 | -163.4 | 168.3 | -175.7 | 176.7 | 0 | 109.6 | ||
| 53 | G | 77.1 | Confident | 73.5 | Confident | 86 Ų | 86 | 119.8 Ų | 119.8 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.8 | 5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A51 | A51-G53 PolarHBondContact O-N 3.31Å; A51-G53 VanDerWaalsContact O-N 3.17Å |
| 54 | K | 80.1 | Confident | 75 | Confident | 131 Ų | 131 | 120.7 Ų | 120.7 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 128.7 | 173.6 | -61 | -167.1 | -176.7 | -176.4 | 0 | 110.4 | S50 A51 | S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.38Å; A51-K54 PolarHBondContact O-N 3.08Å; A51-K54 VanDerWaalsContact O-N 3.08Å |
| 55 | V | 81.1 | Confident | 76.8 | Confident | 126 Ų | 126 | 124.5 Ų | 124.5 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 125.6 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | K57 | V55-K57 PolarHBondContact O-N 3.34Š|
| 56 | P | 82.2 | Confident | 78.3 | Confident | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 122.3 | 175.6 | 25.7 | -32.3 | 0 | 0 | 0 | 108.7 | ||
| 57 | K | 84.8 | Confident | 79.2 | Confident | 155 Ų | 155 | 120.7 Ų | 120.7 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 138.6 | 172.7 | -67.4 | -173.8 | 176.1 | -179.8 | 0 | 109.4 | V55 A59 E62 | V55-K57 PolarHBondContact O-N 3.34Å; K57-A59 PolarHBondContact O-N 3.25Å; K57-E62 HydrophobicContact CB-CG 4.25Å; K57-E62 HydrophobicContact CD-CG 4.04Å; K57-E62 WeakPolarHBondContact CD-OE1 3.31Å; K57-E62 IonicContact NZ-OE1 2.82Å; K57-E62 PolarHBondContact NZ-OE1 2.69Å |
| 58 | S | 89.7 | Confident | 79.7 | Confident | 51 Ų | 51 | 119.8 Ų | 119.8 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 123.4 | 168.9 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | L60 D61 E62 | S58-L60 PolarHBondContact O-N 2.96Å; S58-L60 PolarHBondContact OG-N 3.22Å; S58-D61 WeakPolarHBondContact CB-OD2 3.4Å; S58-D61 PolarHBondContact O-N 2.8Å; S58-D61 VanDerWaalsContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.68Å; S58-E62 PolarHBondContact O-N 2.73Å; S58-E62 VanDerWaalsContact O-N 3.09Å |
| 59 | A | 88.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 117.9 Ų | 117.9 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59 | -31.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K57 Y63 | K57-A59 PolarHBondContact O-N 3.25Å; A59-Y63 VanDerWaalsContact O-CB 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.35Å; A59-Y63 PolarHBondContact O-N 2.83Å |
| 60 | L | 86.3 | Confident | 81.6 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 177.1 | -60.6 | 178.4 | 0 | 0 | 0 | 111.8 | S58 Y63 R64 | S58-L60 PolarHBondContact O-N 2.96Å; S58-L60 PolarHBondContact OG-N 3.22Å; L60-Y63 PolarHBondContact O-N 2.78Å; L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 VanDerWaalsContact O-CG 3.3Å; L60-R64 WeakPolarHBondContact O-CG 3.25Å; L60-R64 PolarHBondContact O-N 3.26Å |
| 61 | D | 87.4 | Confident | 82.6 | Confident | 81 Ų | 81 | 117.4 Ų | 117.4 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.7 | -38.9 | -180 | -63.4 | -24.3 | 0 | 0 | 0 | 111.6 | S58 Y63 K65 | S58-D61 WeakPolarHBondContact CB-OD2 3.4Å; S58-D61 PolarHBondContact O-N 2.8Å; S58-D61 VanDerWaalsContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.68Å; D61-Y63 VanDerWaalsContact C-N 3.34Å; D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.5Å; D61-K65 PolarHBondContact O-N 3.2Å; D61-K65 VanDerWaalsContact O-N 3.15Å |
| 62 | E | 89.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 118.4 Ų | 118.4 | 20% | 0.201 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -65.3 | -38.6 | 171.9 | -81.6 | -80.5 | 158.4 | 0 | 0 | 111.7 | K57 S58 K65 R66 | K57-E62 HydrophobicContact CB-CG 4.25Å; K57-E62 HydrophobicContact CD-CG 4.04Å; K57-E62 WeakPolarHBondContact CD-OE1 3.31Å; K57-E62 IonicContact NZ-OE1 2.82Å; K57-E62 PolarHBondContact NZ-OE1 2.69Å; S58-E62 PolarHBondContact O-N 2.73Å; S58-E62 VanDerWaalsContact O-N 3.09Å; E62-K65 PolarHBondContact O-N 3.05Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.2Å; E62-R66 IonicContact OE2-CZ 3.46Å; E62-R66 IonicContact OE2-NE 3.24Å; E62-R66 PolarHBondContact OE2-NE 3.42Å; E62-R66 IonicContact OE2-NH2 2.84Å; E62-R66 PolarHBondContact OE2-NH2 3.46Å |
| 63 | Y | 85.2 | Confident | 84.4 | Confident | 110 Ų | 110 | 119.5 Ų | 119.5 | 43% | 0.431 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.1 | -47.7 | 175.5 | 178 | -106.9 | 0 | 0 | 0 | 111.7 | A59 L60 D61 K65 R66 E67 H71 | A59-Y63 VanDerWaalsContact O-CB 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.35Å; A59-Y63 PolarHBondContact O-N 2.83Å; L60-Y63 PolarHBondContact O-N 2.78Å; D61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.11Å; Y63-R66 PolarHBondContact O-N 2.9Å; Y63-R66 VanDerWaalsContact O-N 3.12Å; Y63-E67 HydrophobicContact CD2-CB 4.27Å; Y63-E67 HydrophobicContact CD2-CG 4.24Å; Y63-E67 HydrophobicContact CE2-CB 3.88Å; Y63-E67 HydrophobicContact CE2-CG 3.83Å; Y63-E67 PolarHBondContact O-N 3.48Å; Y63-H71 PolarHBondContact OH-CD2 2.79Å; Y63-H71 PolarHBondContact OH-NE2 3.27Å |
| 64 | R | 85.5 | Confident | 85.1 | Confident | 168 Ų | 168 | 120 Ų | 120 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.9 | -35.1 | 177.1 | -75.3 | 172.5 | 179 | 179 | -2 | 113.1 | L60 C68 | L60-R64 WeakPolarHBondContact O-CB 3.45Å; L60-R64 VanDerWaalsContact O-CG 3.3Å; L60-R64 WeakPolarHBondContact O-CG 3.25Å; L60-R64 PolarHBondContact O-N 3.26Å; R64-C68 PolarHBondContact O-SG 3.18Å |
| 65 | K | 86.4 | Confident | 85.7 | Confident | 156 Ų | 156 | 117.9 Ų | 117.9 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.1 | -34.5 | 176.5 | -73.6 | 175 | -175 | -174.7 | 0 | 113.4 | D61 E62 Y63 | D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.5Å; D61-K65 PolarHBondContact O-N 3.2Å; D61-K65 VanDerWaalsContact O-N 3.15Å; E62-K65 PolarHBondContact O-N 3.05Å; Y63-K65 VanDerWaalsContact C-N 3.27Å; Y63-K65 PolarHBondContact O-N 3.11Å |
| 66 | R | 85.4 | Confident | 86.2 | Confident | 185 Ų | 185 | 116 Ų | 116 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -87.8 | -42.7 | -175.5 | -68 | 174.4 | -169 | -156.5 | 2.9 | 112 | E62 Y63 | E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.2Å; E62-R66 IonicContact OE2-CZ 3.46Å; E62-R66 IonicContact OE2-NE 3.24Å; E62-R66 PolarHBondContact OE2-NE 3.42Å; E62-R66 IonicContact OE2-NH2 2.84Å; E62-R66 PolarHBondContact OE2-NH2 3.46Å; Y63-R66 PolarHBondContact O-N 2.9Å; Y63-R66 VanDerWaalsContact O-N 3.12Å |
| 67 | E | 77.8 | Confident | 86.7 | Confident | 88 Ų | 88 | 117.7 Ų | 117.7 | 41% | 0.411 | 56% | 0.561 | S | S | . | * | trans | -116 | 78.2 | -176.9 | -65.7 | -72.1 | 163.8 | 0 | 0 | 107.2 | Y63 R69 | Y63-E67 HydrophobicContact CD2-CB 4.27Å; Y63-E67 HydrophobicContact CD2-CG 4.24Å; Y63-E67 HydrophobicContact CE2-CB 3.88Å; Y63-E67 HydrophobicContact CE2-CG 3.83Å; Y63-E67 PolarHBondContact O-N 3.48Å; E67-R69 PolarHBondContact O-N 3.05Å | ||
| 68 | C | 69.7 | Low | 86.9 | Confident | 114 Ų | 114 | 115.9 Ų | 115.9 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | trans | -71.9 | 45.5 | 172.4 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | R64 | R64-C68 PolarHBondContact O-SG 3.18Š| ||
| 69 | R | 82.6 | Confident | 86.7 | Confident | 191 Ų | 191 | 119.7 Ų | 119.7 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | trans | -121.2 | 136.5 | -177.2 | -68.1 | -177.6 | 175.2 | 179.5 | 0.1 | 109.9 | E67 H71 | E67-R69 PolarHBondContact O-N 3.05Å; R69-H71 PolarHBondContact O-CD2 2.99Å; R69-H71 VanDerWaalsContact O-CD2 3.28Å; R69-H71 PolarHBondContact O-N 3.23Å | ||
| 70 | D | 83.7 | Confident | 86.5 | Confident | 131 Ų | 131 | 120.8 Ų | 120.8 | 70% | 0.701 | 57% | 0.567 | S | S | * | * | trans | -78.9 | 118.5 | 174.7 | -174.8 | 11.8 | 0 | 0 | 0 | 110.5 | L72 | D70-L72 WeakPolarHBondContact OD1-CB 3.45Å; D70-L72 PolarHBondContact OD1-N 3.3Å | ||
| 71 | H | 87.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 124 Ų | 124 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | trans | -97.4 | 2.1 | 176.3 | -66.9 | -77.5 | 0 | 0 | 0 | 112.9 | Y63 R69 R73 V74 N75 | Y63-H71 PolarHBondContact OH-CD2 2.79Å; Y63-H71 PolarHBondContact OH-NE2 3.27Å; R69-H71 PolarHBondContact O-CD2 2.99Å; R69-H71 VanDerWaalsContact O-CD2 3.28Å; R69-H71 PolarHBondContact O-N 3.23Å; H71-R73 VanDerWaalsContact C-N 3.3Å; H71-R73 PolarHBondContact O-N 3.35Å; H71-V74 PolarHBondContact O-N 3.02Å; H71-V74 VanDerWaalsContact O-N 3.1Å; H71-N75 WeakPolarHBondContact O-CB 3.45Å; H71-N75 VanDerWaalsContact O-CG 3.25Å; H71-N75 PolarHBondContact O-N 2.79Å | ||
| 72 | L | 89.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 126.2 Ų | 126.2 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -51.9 | -48.2 | -176.7 | 178.9 | 61.5 | 0 | 0 | 0 | 111.6 | D70 V74 N75 L76 | D70-L72 WeakPolarHBondContact OD1-CB 3.45Å; D70-L72 PolarHBondContact OD1-N 3.3Å; L72-V74 PolarHBondContact O-N 3.24Å; L72-N75 PolarHBondContact O-N 3.4Å; L72-L76 HydrophobicContact CD1-CD1 3.87Å; L72-L76 HydrophobicContact CD1-CG 3.92Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.83Å |
| 73 | R | 91.6 | Very high | 84.4 | Confident | 219 Ų | 219 | 131.8 Ų | 131.8 | 83% | 0.826 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -38.8 | -178.8 | -165.4 | 174.9 | -175.5 | -177.5 | 2 | 113.1 | H71 K77 | H71-R73 VanDerWaalsContact C-N 3.3Å; H71-R73 PolarHBondContact O-N 3.35Å; R73-K77 VanDerWaalsContact O-CB 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 3.2Å |
| 74 | V | 92.5 | Very high | 83.4 | Confident | 96 Ų | 96 | 130.6 Ų | 130.6 | 58% | 0.582 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.1 | -42.6 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | H71 L72 K77 F78 | H71-V74 PolarHBondContact O-N 3.02Å; H71-V74 VanDerWaalsContact O-N 3.1Å; L72-V74 PolarHBondContact O-N 3.24Å; V74-K77 PolarHBondContact O-N 3.29Å; V74-F78 WeakPolarHBondContact O-CB 3.5Å; V74-F78 PolarHBondContact O-N 3.13Å |
| 75 | N | 91.6 | Very high | 82.6 | Confident | 87 Ų | 87 | 129.3 Ų | 129.3 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.6 | -45.2 | 178.4 | -68.7 | -12.3 | 0 | 0 | 0 | 111.4 | H71 L72 K77 F78 L79 | H71-N75 WeakPolarHBondContact O-CB 3.45Å; H71-N75 VanDerWaalsContact O-CG 3.25Å; H71-N75 PolarHBondContact O-N 2.79Å; L72-N75 PolarHBondContact O-N 3.4Å; N75-K77 PolarHBondContact O-N 3.41Å; N75-F78 WeakPolarHBondContact O-CB 3.48Å; N75-F78 PolarHBondContact O-N 3.39Å; N75-F78 VanDerWaalsContact O-N 3.07Å; N75-L79 WeakPolarHBondContact O-CB 3.42Å; N75-L79 VanDerWaalsContact O-CG 3.3Å; N75-L79 WeakPolarHBondContact O-CG 3.49Å; N75-L79 PolarHBondContact O-N 2.9Å |
| 76 | L | 92.4 | Very high | 82.1 | Confident | 86 Ų | 86 | 125.1 Ų | 125.1 | 45% | 0.45 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.1 | -50 | 173.9 | -75.4 | 174.9 | 0 | 0 | 0 | 110.1 | L72 F78 L79 T80 | L72-L76 HydrophobicContact CD1-CD1 3.87Å; L72-L76 HydrophobicContact CD1-CG 3.92Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 VanDerWaalsContact O-CB 3.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.83Å; L76-F78 PolarHBondContact O-N 3Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.17Å |
| 77 | K | 92.4 | Very high | 82 | Confident | 157 Ų | 157 | 119 Ų | 119 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.1 | -34 | 175.7 | -171.8 | 177.3 | -177 | 178 | 0 | 112.2 | R73 V74 N75 R81 | R73-K77 VanDerWaalsContact O-CB 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 3.2Å; V74-K77 PolarHBondContact O-N 3.29Å; N75-K77 PolarHBondContact O-N 3.41Å; K77-R81 WeakPolarHBondContact O-CB 3.4Å; K77-R81 PolarHBondContact O-N 3.01Å |
| 78 | F | 88.5 | Confident | 82.3 | Confident | 116 Ų | 116 | 121.3 Ų | 121.3 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -75.1 | -39.7 | 177.6 | 177.7 | -84.7 | 0 | 0 | 0 | 113.1 | V74 N75 L76 | V74-F78 WeakPolarHBondContact O-CB 3.5Å; V74-F78 PolarHBondContact O-N 3.13Å; N75-F78 WeakPolarHBondContact O-CB 3.48Å; N75-F78 PolarHBondContact O-N 3.39Å; N75-F78 VanDerWaalsContact O-N 3.07Å; L76-F78 PolarHBondContact O-N 3Å |
| 79 | L | 86.3 | Confident | 83.1 | Confident | 132 Ų | 132 | 119.3 Ų | 119.3 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.4 | -39.7 | -179 | -70.9 | 171.5 | 0 | 0 | 0 | 112.1 | N75 L76 R81 | N75-L79 WeakPolarHBondContact O-CB 3.42Å; N75-L79 VanDerWaalsContact O-CG 3.3Å; N75-L79 WeakPolarHBondContact O-CG 3.49Å; N75-L79 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L79-R81 VanDerWaalsContact C-N 3.35Å |
| 80 | T | 84.9 | Confident | 83.3 | Confident | 104 Ų | 104 | 111 Ų | 111 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.8 | -12.5 | 179.4 | 63.7 | 0 | 0 | 0 | 0 | 113 | L76 T82 | L76-T80 WeakPolarHBondContact O-CB 3.39Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 2.85Å; L76-T80 PolarHBondContact O-OG1 3.17Å; T80-T82 PolarHBondContact O-N 3.02Å |
| 81 | R | 84.2 | Confident | 83.4 | Confident | 183 Ų | 183 | 106.9 Ų | 106.9 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -63.3 | 111.5 | 170.9 | -171.8 | 169.6 | -176.1 | 173.7 | -0.2 | 108.2 | K77 L79 R83 | K77-R81 WeakPolarHBondContact O-CB 3.4Å; K77-R81 PolarHBondContact O-N 3.01Å; L79-R81 VanDerWaalsContact C-N 3.35Å; R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.24Å |
| 82 | T | 66.6 | Low | 83.4 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 77% | 0.773 | 56% | 0.556 | S | S | * | * | trans | -56.6 | 120.1 | 170.9 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | T80 | T80-T82 PolarHBondContact O-N 3.02Š| ||
| 83 | R | 67 | Low | 83.4 | Confident | 161 Ų | 161 | 105.8 Ų | 105.8 | 61% | 0.608 | 54% | 0.544 | S | S | * | . | trans | -104.9 | 29.6 | -178.7 | -66.8 | -173.5 | 179 | -148.9 | -13.7 | 112.7 | R81 T85 | R81-R83 WeakPolarHBondContact O-CG 3.44Å; R81-R83 PolarHBondContact O-N 3.24Å; R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 3.43Å | ||
| 84 | S | 64.6 | Low | 83.2 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | trans | -76.9 | 95.9 | 165.5 | 56.8 | 0 | 0 | 0 | 0 | 107.3 | V86 | S84-V86 WeakPolarHBondContact CB-O 3.45Å; S84-V86 PolarHBondContact O-N 3.17Å | ||
| 85 | T | 69.4 | Low | 83 | Confident | 142 Ų | 142 | 99.7 Ų | 99.7 | 87% | 0.871 | 52% | 0.524 | S | S | * | . | trans | -61.9 | -19.3 | 167.4 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | R83 | R83-T85 VanDerWaalsContact C-N 3.34Å; R83-T85 PolarHBondContact O-N 3.43Å | ||
| 86 | V | 74.8 | Confident | 82.8 | Confident | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -97.2 | 135.6 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | S84 V90 | S84-V86 WeakPolarHBondContact CB-O 3.45Å; S84-V86 PolarHBondContact O-N 3.17Å; V86-V90 HydrophobicContact CG1-CB 3.49Å; V86-V90 VanDerWaalsContact CG1-CB 3.49Å; V86-V90 HydrophobicContact CG1-CG1 3.45Å; V86-V90 VanDerWaalsContact CG1-CG1 3.45Å; V86-V90 HydrophobicContact CG1-CG2 4.4Å |
| 87 | A | 83.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | trans | -54.7 | 143.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S89 V90 S91 | A87-S89 PolarHBondContact O-N 3.05Å; A87-V90 HydrophobicContact CB-CG2 4.37Å; A87-V90 PolarHBondContact O-N 3.49Å; A87-S91 PolarHBondContact O-N 2.94Å | ||
| 88 | E | 83.9 | Confident | 82.2 | Confident | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -31.6 | -177.7 | -165 | -178.7 | 163.5 | 0 | 0 | 112.5 | V90 S91 Q92 | E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.5Å; E88-S91 WeakPolarHBondContact CA-OG 3.17Å; E88-S91 PolarHBondContact O-N 3.3Å; E88-S91 PolarHBondContact O-OG 3.33Å; E88-Q92 HydrophobicContact CG-CG 4.47Å; E88-Q92 WeakPolarHBondContact O-CB 3.3Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.97Å; E88-Q92 PolarHBondContact OE1-NE2 3.23Å |
| 89 | S | 86.4 | Confident | 82.1 | Confident | 73 Ų | 73 | 101 Ų | 101 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | A87 Q92 Q93 | A87-S89 PolarHBondContact O-N 3.05Å; S89-Q92 PolarHBondContact O-N 2.93Å; S89-Q93 WeakPolarHBondContact O-CB 3.43Å; S89-Q93 PolarHBondContact O-N 3.02Å |
| 90 | V | 86.3 | Confident | 82 | Confident | 15 Ų | 15 | 96.6 Ų | 96.6 | 9% | 0.091 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -71.6 | -40.3 | -178.8 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L13 S16 V86 A87 E88 Q93 I94 | L13-V90 HydrophobicContact CD2-CG1 3.49Å; L13-V90 VanDerWaalsContact CD2-CG1 3.49Å; S16-V90 WeakPolarHBondContact OG-CG2 3.47Å; V86-V90 HydrophobicContact CG1-CB 3.49Å; V86-V90 VanDerWaalsContact CG1-CB 3.49Å; V86-V90 HydrophobicContact CG1-CG1 3.45Å; V86-V90 VanDerWaalsContact CG1-CG1 3.45Å; V86-V90 HydrophobicContact CG1-CG2 4.4Å; A87-V90 HydrophobicContact CB-CG2 4.37Å; A87-V90 PolarHBondContact O-N 3.49Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.5Å; V90-Q93 WeakPolarHBondContact O-CB 3.3Å; V90-Q93 PolarHBondContact O-N 3.4Å; V90-I94 HydrophobicContact CG1-CD1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.39Å; V90-I94 PolarHBondContact O-N 2.94Å |
| 91 | S | 86.7 | Confident | 82 | Confident | 45 Ų | 45 | 99.2 Ų | 99.2 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.4 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | A87 E88 Q93 I94 L95 | A87-S91 PolarHBondContact O-N 2.94Å; E88-S91 WeakPolarHBondContact CA-OG 3.17Å; E88-S91 PolarHBondContact O-N 3.3Å; E88-S91 PolarHBondContact O-OG 3.33Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; S91-Q93 PolarHBondContact O-N 3.07Å; S91-I94 PolarHBondContact O-N 3.15Å; S91-L95 VanDerWaalsContact O-CG 3.31Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.49Å |
| 92 | Q | 87.8 | Confident | 81.9 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 172.8 | -71.7 | -178.8 | 17.3 | 0 | 0 | 112.1 | E88 S89 L95 R96 | E88-Q92 HydrophobicContact CG-CG 4.47Å; E88-Q92 WeakPolarHBondContact O-CB 3.3Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.44Å; E88-Q92 PolarHBondContact O-N 2.97Å; E88-Q92 PolarHBondContact OE1-NE2 3.23Å; S89-Q92 PolarHBondContact O-N 2.93Å; Q92-L95 PolarHBondContact O-N 3Å; Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.18Å; Q92-R96 PolarHBondContact O-N 2.82Å |
| 93 | Q | 89.5 | Confident | 82.4 | Confident | 57 Ų | 57 | 94.7 Ų | 94.7 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 176.8 | -171.8 | -176.9 | -2.2 | 0 | 0 | 111.9 | L12 S89 V90 S91 L95 R96 Q97 | L12-Q93 PolarHBondContact O-NE2 3.08Å; L12-Q93 PolarHBondContact O-OE1 3.14Å; S89-Q93 WeakPolarHBondContact O-CB 3.43Å; S89-Q93 PolarHBondContact O-N 3.02Å; V90-Q93 WeakPolarHBondContact O-CB 3.3Å; V90-Q93 PolarHBondContact O-N 3.4Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; S91-Q93 PolarHBondContact O-N 3.07Å; Q93-L95 PolarHBondContact O-N 3.18Å; Q93-R96 PolarHBondContact O-N 3.25Å; Q93-Q97 PolarHBondContact O-N 2.83Å |
| 94 | I | 87.7 | Confident | 83 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.3 | -66.5 | 165.8 | 0 | 0 | 0 | 110.4 | L13 V90 S91 R96 Q97 N98 | L13-I94 HydrophobicContact CD2-CD1 4.44Å; V90-I94 HydrophobicContact CG1-CD1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.39Å; V90-I94 PolarHBondContact O-N 2.94Å; S91-I94 PolarHBondContact O-N 3.15Å; I94-R96 PolarHBondContact O-N 3.12Å; I94-Q97 PolarHBondContact O-N 3.38Å; I94-N98 PolarHBondContact O-N 3.13Å; I94-N98 VanDerWaalsContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 2.86Å |
| 95 | L | 87.6 | Confident | 83.8 | Confident | 116 Ų | 116 | 91.5 Ų | 91.5 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 177.9 | -72.8 | 175.1 | 0 | 0 | 0 | 111.8 | S91 Q92 Q93 N98 R99 | S91-L95 VanDerWaalsContact O-CG 3.31Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; S91-L95 PolarHBondContact O-N 3.49Å; Q92-L95 PolarHBondContact O-N 3Å; Q93-L95 PolarHBondContact O-N 3.18Å; L95-N98 PolarHBondContact O-N 2.9Å; L95-R99 PolarHBondContact O-N 3.4Å |
| 96 | R | 87.7 | Confident | 84.3 | Confident | 182 Ų | 182 | 93 Ų | 93 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 177 | -73 | 174.2 | -171.4 | -168 | 5.4 | 112 | Q92 Q93 I94 N98 R99 | Q92-R96 WeakPolarHBondContact O-CB 3.34Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.18Å; Q92-R96 PolarHBondContact O-N 2.82Å; Q93-R96 PolarHBondContact O-N 3.25Å; I94-R96 PolarHBondContact O-N 3.12Å; R96-N98 VanDerWaalsContact C-N 3.28Å; R96-N98 PolarHBondContact O-N 2.97Å; R96-R99 WeakPolarHBondContact O-CB 3.44Å; R96-R99 PolarHBondContact O-N 3.1Å |
| 97 | Q | 87 | Confident | 84.3 | Confident | 49 Ų | 49 | 95.6 Ų | 95.6 | 23% | 0.229 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 178.8 | -167.2 | -139.9 | 9.6 | 0 | 0 | 112.7 | L12 Q93 I94 | L12-Q97 HydrophobicContact CD1-CG 4.1Å; L12-Q97 VanDerWaalsContact CD1-NE2 3.29Å; L12-Q97 HydrophobicContact CD2-CB 4.19Å; L12-Q97 HydrophobicContact CD2-CG 3.8Å; Q93-Q97 PolarHBondContact O-N 2.83Å; I94-Q97 PolarHBondContact O-N 3.38Å |
| 98 | N | 86.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -89.8 | -8.3 | -179.2 | -72.1 | -76.1 | 0 | 0 | 0 | 113.7 | I94 L95 R96 R101 | I94-N98 PolarHBondContact O-N 3.13Å; I94-N98 VanDerWaalsContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 2.86Å; L95-N98 PolarHBondContact O-N 2.9Å; R96-N98 VanDerWaalsContact C-N 3.28Å; R96-N98 PolarHBondContact O-N 2.97Å; N98-R101 WeakPolarHBondContact O-CB 3.42Å; N98-R101 PolarHBondContact O-N 3.15Å |
| 99 | R | 86.6 | Confident | 82.7 | Confident | 188 Ų | 188 | 95.7 Ų | 95.7 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 136.3 | 179.3 | -167.1 | 178 | -179.7 | -176.3 | 0.2 | 110.6 | L95 R96 R101 D105 | L95-R99 PolarHBondContact O-N 3.4Å; R96-R99 WeakPolarHBondContact O-CB 3.44Å; R96-R99 PolarHBondContact O-N 3.1Å; R99-R101 VanDerWaalsContact C-N 3.33Å; R99-D105 WeakPolarHBondContact CA-OD2 3.43Å; R99-D105 HydrophobicContact CG-CB 4.32Å |
| 100 | G | 83.5 | Confident | 81.6 | Confident | 40 Ų | 40 | 100.6 Ų | 100.6 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -9.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D105 | G100-D105 VanDerWaalsContact N-CB 3.25Å; G100-D105 VanDerWaalsContact N-CG 3.34Å; G100-D105 PolarHBondContact N-OD2 3.41Å |
| 101 | R | 83.6 | Confident | 80.4 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -80.9 | -30.1 | 172.7 | -62.8 | -176.2 | 175.3 | -142.1 | -2 | 112.1 | N98 R99 | N98-R101 WeakPolarHBondContact O-CB 3.42Å; N98-R101 PolarHBondContact O-N 3.15Å; R99-R101 VanDerWaalsContact C-N 3.33Å |
| 102 | K | 83.4 | Confident | 79.2 | Confident | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -86.5 | 145.5 | 178.4 | -58.2 | -179.8 | -179.2 | 179.4 | 0 | 109.9 | C104 D105 | K102-C104 PolarHBondContact O-N 3.25Å; K102-D105 WeakPolarHBondContact CB-OD2 3.3Å; K102-D105 PolarHBondContact N-OD2 2.87Å; K102-D105 WeakPolarHBondContact O-CB 3.24Å; K102-D105 PolarHBondContact O-N 2.79Å |
| 103 | A | 77.8 | Confident | 78 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -57.5 | -33.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D105 R106 | A103-D105 PolarHBondContact O-N 3.33Å; A103-R106 PolarHBondContact O-N 3.17Å |
| 104 | C | 79.5 | Confident | 76.7 | Confident | 121 Ų | 121 | 123.6 Ų | 123.6 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -62.6 | -25.1 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 114 | K102 | K102-C104 PolarHBondContact O-N 3.25Š|
| 105 | D | 81.6 | Confident | 75.6 | Confident | 57 Ų | 57 | 130 Ų | 130 | 31% | 0.305 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -82.8 | -17.9 | -179.6 | -59.4 | -37 | 0 | 0 | 0 | 112.2 | R99 G100 K102 A103 | R99-D105 WeakPolarHBondContact CA-OD2 3.43Å; R99-D105 HydrophobicContact CG-CB 4.32Å; G100-D105 VanDerWaalsContact N-CB 3.25Å; G100-D105 VanDerWaalsContact N-CG 3.34Å; G100-D105 PolarHBondContact N-OD2 3.41Å; K102-D105 WeakPolarHBondContact CB-OD2 3.3Å; K102-D105 PolarHBondContact N-OD2 2.87Å; K102-D105 WeakPolarHBondContact O-CB 3.24Å; K102-D105 PolarHBondContact O-N 2.79Å; A103-D105 PolarHBondContact O-N 3.33Å |
| 106 | R | 79.8 | Confident | 74.4 | Confident | 175 Ų | 175 | 131.9 Ų | 131.9 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -77.3 | 122.5 | 175.1 | -67.9 | -176.3 | -176.7 | 172.2 | 0.1 | 107.4 | A103 V108 | A103-R106 PolarHBondContact O-N 3.17Å; R106-V108 PolarHBondContact O-N 2.83Å |
| 107 | P | 73.7 | Confident | 73.2 | Confident | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | -58.4 | 116.7 | 167.7 | 25.5 | -31.1 | 0 | 0 | 0 | 106.4 | A109 | P107-A109 PolarHBondContact O-N 3.12Š| ||
| 108 | V | 68.3 | Low | 72.1 | Confident | 116 Ų | 116 | 133.4 Ų | 133.4 | 70% | 0.703 | 68% | 0.681 | S | S | * | * | trans | -63.5 | 97.9 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 103.8 | R106 K110 | R106-V108 PolarHBondContact O-N 2.83Å; V108-K110 HydrophobicContact CB-CG 4.48Å; V108-K110 HydrophobicContact CG1-CG 3.95Å; V108-K110 PolarHBondContact O-N 3.45Å | ||
| 109 | A | 65.3 | Low | 71.2 | Confident | 79 Ų | 79 | 134.4 Ų | 134.4 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | trans | -59.3 | 89.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 104.5 | P107 T111 | P107-A109 PolarHBondContact O-N 3.12Å; A109-T111 PolarHBondContact O-N 3.06Å | ||
| 110 | K | 64.3 | Low | 70.5 | Confident | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | trans | -69.5 | 73.6 | 167.6 | -64.2 | -163.7 | -175.3 | -175.4 | 0 | 104.5 | V108 K112 | V108-K110 HydrophobicContact CB-CG 4.48Å; V108-K110 HydrophobicContact CG1-CG 3.95Å; V108-K110 PolarHBondContact O-N 3.45Å; K110-K112 PolarHBondContact O-N 2.95Å | ||
| 111 | T | 61.2 | Low | 70 | Confident | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | trans | -58.3 | 96.2 | 147.5 | 48 | 0 | 0 | 0 | 0 | 102.8 | A109 K113 | A109-T111 PolarHBondContact O-N 3.06Å; T111-K113 PolarHBondContact O-N 3Å | ||
| 112 | K | 61.8 | Low | 69.7 | Low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | -56 | 88.8 | 159.9 | -68.9 | 178.5 | 179.5 | 178.1 | 0 | 103.1 | K110 K114 | K110-K112 PolarHBondContact O-N 2.95Å; K112-K114 PolarHBondContact O-N 3.28Å | ||
| 113 | K | 62.1 | Low | 69.8 | Low | 187 Ų | 187 | 131.4 Ų | 131.4 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -54.4 | 102.3 | 157.5 | -79.1 | -169.5 | 177.1 | -175.8 | 0 | 101.8 | T111 K115 | T111-K113 PolarHBondContact O-N 3Å; K113-K115 PolarHBondContact O-N 2.82Å | ||
| 114 | K | 62 | Low | 70 | Confident | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -47.8 | 114.4 | 170.9 | -67.5 | -179.4 | 177.9 | -178.4 | 0 | 102.9 | K112 K116 | K112-K114 PolarHBondContact O-N 3.28Å; K114-K116 PolarHBondContact O-N 2.83Å | ||
| 115 | K | 64.3 | Low | 70.3 | Confident | 205 Ų | 205 | 134.5 Ų | 134.5 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | trans | -56.4 | 104.9 | 170.7 | -73.1 | -175.4 | 176.5 | -175.2 | 0 | 103 | K113 A117 | K113-K115 PolarHBondContact O-N 2.82Å; K115-A117 PolarHBondContact O-N 3.06Å | ||
| 116 | K | 63.9 | Low | 70.6 | Confident | 157 Ų | 157 | 134.4 Ų | 134.4 | 68% | 0.683 | 70% | 0.704 | S | S | * | * | trans | -58 | 129.5 | 167.3 | -71.9 | -157.4 | 173.4 | -167.7 | 0 | 104.5 | K114 E118 | K114-K116 PolarHBondContact O-N 2.83Å; K116-E118 HydrophobicContact CB-CB 4.39Å; K116-E118 HydrophobicContact CB-CG 4.31Å; K116-E118 PolarHBondContact O-N 3.28Å | ||
| 117 | A | 62 | Low | 70.9 | Confident | 110 Ų | 110 | 131.9 Ų | 131.9 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -72 | 68.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | K115 | K115-A117 PolarHBondContact O-N 3.06Š|
| 118 | E | 64.1 | Low | 71.7 | Confident | 153 Ų | 153 | 131.2 Ų | 131.2 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | trans | -132.5 | 67.7 | 175.8 | -71.8 | 172 | -154.5 | 0 | 0 | 104.5 | K116 | K116-E118 HydrophobicContact CB-CB 4.39Å; K116-E118 HydrophobicContact CB-CG 4.31Å; K116-E118 PolarHBondContact O-N 3.28Å | ||
| 119 | G | 66.8 | Low | 72.7 | Confident | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -103.6 | -0.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 120 | T | 70.9 | Confident | 73.9 | Confident | 111 Ų | 111 | 132.7 Ų | 132.7 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | trans | -144 | 127.4 | -177.4 | -27.9 | 0 | 0 | 0 | 0 | 108.7 | F122 | T120-F122 WeakPolarHBondContact CB-O 3.41Å; T120-F122 PolarHBondContact O-N 3.45Å | ||
| 121 | V | 74.3 | Confident | 75.2 | Confident | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -67.8 | -22.4 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 122 | F | 76.8 | Confident | 76.5 | Confident | 132 Ų | 132 | 131 Ų | 131 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -103.5 | 133.5 | 177.5 | -58.3 | -74.7 | 0 | 0 | 0 | 110.6 | T120 D126 F127 | T120-F122 WeakPolarHBondContact CB-O 3.41Å; T120-F122 PolarHBondContact O-N 3.45Å; F122-D126 HydrophobicContact CB-CB 4.49Å; F122-D126 HydrophobicContact CD1-CB 4.35Å; F122-F127 HydrophobicContact CB-CE2 4.28Å |
| 123 | T | 85.7 | Confident | 77.9 | Confident | 74 Ų | 74 | 129.3 Ų | 129.3 | 45% | 0.454 | 65% | 0.649 | S | S | . | * | trans | -92.4 | 162.9 | 171.9 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | E125 D126 F127 | T123-E125 PolarHBondContact O-N 2.89Å; T123-D126 PolarHBondContact N-OD2 3.15Å; T123-D126 WeakPolarHBondContact O-CB 3.07Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-OD2 3.27Å; T123-F127 PolarHBondContact O-N 3.23Å | ||
| 124 | E | 82.2 | Confident | 79.1 | Confident | 139 Ų | 139 | 127.5 Ų | 127.5 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.7 | -31.7 | 175.1 | -168.8 | 64.2 | -157.4 | 0 | 0 | 111.7 | D126 F127 Q128 | E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 3.31Å; E124-F127 WeakPolarHBondContact O-CB 3.23Å; E124-F127 PolarHBondContact O-N 3.09Å; E124-Q128 PolarHBondContact O-N 3.12Å; E124-Q128 VanDerWaalsContact O-N 3.17Å |
| 125 | E | 85.8 | Confident | 80.2 | Confident | 132 Ų | 132 | 125.9 Ų | 125.9 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -34.1 | 176.2 | -59.3 | -179.5 | -171.1 | 0 | 0 | 112.3 | T123 F127 Q128 K129 | T123-E125 PolarHBondContact O-N 2.89Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-Q128 PolarHBondContact O-N 3.36Å; E125-K129 WeakPolarHBondContact O-CG 3.28Å; E125-K129 PolarHBondContact O-N 2.98Å; E125-K129 VanDerWaalsContact O-N 3.13Å |
| 126 | D | 88.3 | Confident | 80.5 | Confident | 55 Ų | 55 | 118.7 Ų | 118.7 | 29% | 0.294 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70 | -34 | 177.8 | -58.6 | -45.1 | 0 | 0 | 0 | 111.2 | F122 T123 E124 K129 F130 | F122-D126 HydrophobicContact CB-CB 4.49Å; F122-D126 HydrophobicContact CD1-CB 4.35Å; T123-D126 PolarHBondContact N-OD2 3.15Å; T123-D126 WeakPolarHBondContact O-CB 3.07Å; T123-D126 PolarHBondContact O-N 3.27Å; T123-D126 PolarHBondContact OG1-OD2 3.27Å; E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 3.31Å; D126-K129 PolarHBondContact O-N 2.95Å; D126-F130 PolarHBondContact O-N 3.24Å |
| 127 | F | 85.3 | Confident | 80.2 | Confident | 121 Ų | 121 | 119.5 Ų | 119.5 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 173.8 | -92.2 | -88.4 | 0 | 0 | 0 | 112.2 | F122 T123 E124 E125 F130 Q131 | F122-F127 HydrophobicContact CB-CE2 4.28Å; T123-F127 PolarHBondContact O-N 3.23Å; E124-F127 WeakPolarHBondContact O-CB 3.23Å; E124-F127 PolarHBondContact O-N 3.09Å; E125-F127 VanDerWaalsContact C-N 3.33Å; F127-F130 PolarHBondContact O-N 3.26Å; F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 3.15Å |
| 128 | Q | 89.5 | Confident | 81.1 | Confident | 107 Ų | 107 | 120 Ų | 120 | 50% | 0.5 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65 | -40.7 | 176.5 | -70.6 | -178.6 | 0.9 | 0 | 0 | 112 | E124 E125 Q131 Q132 | E124-Q128 PolarHBondContact O-N 3.12Å; E124-Q128 VanDerWaalsContact O-N 3.17Å; E125-Q128 PolarHBondContact O-N 3.36Å; Q128-Q131 PolarHBondContact O-N 3.31Å; Q128-Q132 PolarHBondContact O-N 3.47Å |
| 129 | K | 91 | Very high | 82 | Confident | 123 Ų | 123 | 118.2 Ų | 118.2 | 54% | 0.535 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.2 | -46.4 | 173.5 | -71.5 | 171.6 | -172.2 | 164.7 | 0 | 111.5 | E125 D126 Q131 Q132 E133 | E125-K129 WeakPolarHBondContact O-CG 3.28Å; E125-K129 PolarHBondContact O-N 2.98Å; E125-K129 VanDerWaalsContact O-N 3.13Å; D126-K129 PolarHBondContact O-N 2.95Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; K129-Q131 PolarHBondContact O-N 2.84Å; K129-Q132 PolarHBondContact O-N 3.18Å; K129-E133 WeakPolarHBondContact O-CB 3.47Å; K129-E133 PolarHBondContact O-N 2.82Å |
| 130 | F | 89.6 | Confident | 82.9 | Confident | 103 Ų | 103 | 120.6 Ų | 120.6 | 45% | 0.452 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.9 | -42.1 | 176.9 | -175.6 | -90.4 | 0 | 0 | 0 | 111.9 | D126 F127 Q132 E133 Y134 | D126-F130 PolarHBondContact O-N 3.24Å; F127-F130 PolarHBondContact O-N 3.26Å; F130-Q132 PolarHBondContact O-N 3.22Å; F130-E133 PolarHBondContact O-N 3.18Å; F130-Y134 HydrophobicContact CD1-CD2 4.19Å; F130-Y134 AromaticContact CD2-CD2 3.61Å; F130-Y134 HydrophobicContact CD2-CD2 3.61Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 AromaticContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CG 4.38Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CG 4.32Å; F130-Y134 AromaticContact CE2-CZ 3.95Å; F130-Y134 HydrophobicContact CG-CD2 4.03Å; F130-Y134 HydrophobicContact CG-CE2 4.4Å; F130-Y134 AromaticContact CZ-CD2 3.55Å; F130-Y134 HydrophobicContact CZ-CD2 3.55Å; F130-Y134 AromaticContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CG 4.08Å; F130-Y134 WeakPolarHBondContact O-CD2 3.29Å; F130-Y134 PolarHBondContact O-N 3.45Å; F130-Y134 VanDerWaalsContact O-N 3.12Å |
| 131 | Q | 90.8 | Very high | 83.6 | Confident | 117 Ų | 117 | 121.2 Ų | 121.2 | 55% | 0.547 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.9 | -45.4 | 176.3 | -76.6 | -179.5 | -28.4 | 0 | 0 | 112.1 | F127 Q128 K129 F135 | F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 3.15Å; Q128-Q131 PolarHBondContact O-N 3.31Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; K129-Q131 PolarHBondContact O-N 2.84Å; Q131-F135 WeakPolarHBondContact O-CA 3.12Å; Q131-F135 WeakPolarHBondContact O-CB 3.15Å; Q131-F135 PolarHBondContact O-N 3.08Å |
| 132 | Q | 88.9 | Confident | 84.1 | Confident | 134 Ų | 134 | 120.3 Ų | 120.3 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | 177.8 | -72.7 | 179.3 | 0.4 | 0 | 0 | 112.5 | Q128 K129 F130 G136 | Q128-Q132 PolarHBondContact O-N 3.47Å; K129-Q132 PolarHBondContact O-N 3.18Å; F130-Q132 PolarHBondContact O-N 3.22Å; Q132-G136 WeakPolarHBondContact O-CA 3.3Å; Q132-G136 PolarHBondContact O-N 3.17Å |
| 133 | E | 91.1 | Very high | 84.6 | Confident | 154 Ų | 154 | 119.5 Ų | 119.5 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.8 | -38.5 | -176.7 | -173.3 | 166.6 | -172 | 0 | 0 | 112.7 | K129 F130 | K129-E133 WeakPolarHBondContact O-CB 3.47Å; K129-E133 PolarHBondContact O-N 2.82Å; F130-E133 PolarHBondContact O-N 3.18Å |
| 134 | Y | 87.8 | Confident | 84.6 | Confident | 149 Ų | 149 | 122.7 Ų | 122.7 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -97 | -32.8 | -175.4 | -77.2 | -84 | 0 | 0 | 0 | 114.3 | F130 | F130-Y134 HydrophobicContact CD1-CD2 4.19Å; F130-Y134 AromaticContact CD2-CD2 3.61Å; F130-Y134 HydrophobicContact CD2-CD2 3.61Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 AromaticContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CD2 3.97Å; F130-Y134 HydrophobicContact CE1-CG 4.38Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CE2 3.14Å; F130-Y134 HydrophobicContact CE2-CG 4.32Å; F130-Y134 AromaticContact CE2-CZ 3.95Å; F130-Y134 HydrophobicContact CG-CD2 4.03Å; F130-Y134 HydrophobicContact CG-CE2 4.4Å; F130-Y134 AromaticContact CZ-CD2 3.55Å; F130-Y134 HydrophobicContact CZ-CD2 3.55Å; F130-Y134 AromaticContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CE2 3.72Å; F130-Y134 HydrophobicContact CZ-CG 4.08Å; F130-Y134 WeakPolarHBondContact O-CD2 3.29Å; F130-Y134 PolarHBondContact O-N 3.45Å; F130-Y134 VanDerWaalsContact O-N 3.12Å |
| 135 | F | 85 | Confident | 84.7 | Confident | 157 Ų | 157 | 121.5 Ų | 121.5 | 69% | 0.689 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -107.7 | -7.3 | -177.3 | -60.2 | -77.8 | 0 | 0 | 0 | 113.1 | Q131 S137 | Q131-F135 WeakPolarHBondContact O-CA 3.12Å; Q131-F135 WeakPolarHBondContact O-CB 3.15Å; Q131-F135 PolarHBondContact O-N 3.08Å; F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 3.25Å; F135-S137 VanDerWaalsContact O-N 3.13Å |
| 136 | G | 70.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 120.6 Ų | 120.6 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | trans | 45.2 | 49.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q132 | Q132-G136 WeakPolarHBondContact O-CA 3.3Å; Q132-G136 PolarHBondContact O-N 3.17Å | ||
| 137 | S | 57.6 | Low | 84.3 | Confident | 173 Ų | 173 | 126.5 Ų | 126.5 | 100% | 1.21 | 63% | 0.632 | S | S | * | * | trans | 22.9 | 0 | -177.2 | 60.9 | 0 | 0 | 0 | 0 | 116.9 | F135 | F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 3.25Å; F135-S137 VanDerWaalsContact O-N 3.13Å |
Retrieved 137 of 137 residues in 205.8 ms
(Link to these results)