| 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 | 64.4 | Low | 77.1 | Confident | 246 Ų | 246 | 114.6 Ų | 114.6 | 100% | 1.212 | 58% | 0.578 | S | S | * | * | 0 | 133.2 | 0 | -77.4 | -167.2 | 171.5 | 0 | 0 | 109.2 | |||||
| 2 | Y | 70.8 | Confident | 77 | Confident | 172 Ų | 172 | 116.2 Ų | 116.2 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | trans | -68.2 | 143.3 | 178.3 | -62.1 | -70.4 | 0 | 0 | 0 | 112.4 | L6 | Y2-L6 HydrophobicContact CD1-CD2 3.56Å; Y2-L6 HydrophobicContact CE1-CD2 4.26Å; Y2-L6 HydrophobicContact CG-CD2 4.29Å | ||
| 3 | S | 79.8 | Confident | 76.5 | Confident | 64 Ų | 64 | 116.1 Ų | 116.1 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -63 | 150.5 | 177.7 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | A5 L6 K7 | S3-A5 PolarHBondContact O-N 3.44Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-L6 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact OG-N 3.14Å; S3-K7 PolarHBondContact O-N 3.46Å | ||
| 4 | P | 83.2 | Confident | 75.4 | Confident | 111 Ų | 111 | 110 Ų | 110 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.1 | -37 | 175.2 | -26.5 | 34.7 | 0 | 0 | 0 | 112.9 | K7 E8 | P4-K7 PolarHBondContact O-N 3.3Å; P4-E8 WeakPolarHBondContact O-CB 3.14Å; P4-E8 PolarHBondContact O-N 3.03Å |
| 5 | A | 83.6 | Confident | 74 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.3 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S3 E8 K9 | S3-A5 PolarHBondContact O-N 3.44Å; A5-E8 PolarHBondContact O-N 3.16Å; A5-K9 WeakPolarHBondContact O-CB 3.33Å; A5-K9 PolarHBondContact O-N 2.7Å |
| 6 | L | 75.2 | Confident | 72.8 | Confident | 68 Ų | 68 | 112.7 Ų | 112.7 | 36% | 0.356 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.5 | -39.7 | 177.5 | -173.8 | 64.3 | 0 | 0 | 0 | 111.4 | Y2 S3 E8 K9 L10 | Y2-L6 HydrophobicContact CD1-CD2 3.56Å; Y2-L6 HydrophobicContact CE1-CD2 4.26Å; Y2-L6 HydrophobicContact CG-CD2 4.29Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-L6 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact OG-N 3.14Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 2.84Å; L6-K9 PolarHBondContact O-N 3.18Å; L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.47Å |
| 7 | K | 77.8 | Confident | 71.8 | Confident | 132 Ų | 132 | 113.2 Ų | 113.2 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.5 | -42.4 | 171.5 | -76.7 | -175.3 | 178.7 | 179.9 | 0 | 111.3 | S3 P4 R11 | S3-K7 PolarHBondContact O-N 3.46Å; P4-K7 PolarHBondContact O-N 3.3Å; K7-R11 VanDerWaalsContact O-CB 3.26Å; K7-R11 WeakPolarHBondContact O-CB 3.27Å; K7-R11 PolarHBondContact O-N 3.06Å |
| 8 | E | 80.8 | Confident | 70.5 | Confident | 67 Ų | 67 | 116.2 Ų | 116.2 | 31% | 0.313 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -39.6 | 178.1 | -176.9 | 57.8 | -161.9 | 0 | 0 | 112.4 | P4 A5 L6 R11 K12 | P4-E8 WeakPolarHBondContact O-CB 3.14Å; P4-E8 PolarHBondContact O-N 3.03Å; A5-E8 PolarHBondContact O-N 3.16Å; L6-E8 VanDerWaalsContact C-N 3.29Å; L6-E8 PolarHBondContact O-N 2.84Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 IonicContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 2.77Å; E8-R11 PolarHBondContact OE1-NE 3.47Å; E8-R11 IonicContact OE1-NH2 3.96Å; E8-R11 PolarHBondContact OE1-NH2 2.94Å; E8-R11 IonicContact OE2-CZ 3.85Å; E8-R11 IonicContact OE2-NE 3.93Å; E8-R11 PolarHBondContact OE2-NE 2.85Å; E8-R11 IonicContact OE2-NH2 3.3Å; E8-R11 PolarHBondContact OE2-NH2 3.44Å; E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 3.4Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å |
| 9 | K | 79.3 | Confident | 69.3 | Low | 131 Ų | 131 | 115.6 Ų | 115.6 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -44.6 | 175.1 | -168.7 | 175.4 | -178.8 | 179.2 | 0 | 111.5 | A5 L6 K12 Q13 | A5-K9 WeakPolarHBondContact O-CB 3.33Å; A5-K9 PolarHBondContact O-N 2.7Å; L6-K9 PolarHBondContact O-N 3.18Å; K9-K12 PolarHBondContact O-N 3.43Å; K9-Q13 WeakPolarHBondContact O-CB 3.26Å; K9-Q13 PolarHBondContact O-N 3.34Å |
| 10 | L | 77.8 | Confident | 68.2 | Low | 96 Ų | 96 | 117.6 Ų | 117.6 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -34.9 | 174.7 | -69.7 | 174.3 | 0 | 0 | 0 | 112 | L6 G14 | L6-L10 HydrophobicContact CG-CD1 4.24Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.47Å; L10-G14 WeakPolarHBondContact O-CA 3.13Å; L10-G14 PolarHBondContact O-N 3.09Å |
| 11 | R | 75.1 | Confident | 67.1 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 38% | 0.377 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -43.5 | 173.6 | -171.2 | -170.3 | 74 | 96.4 | 6.5 | 111.4 | K7 E8 G14 R15 | K7-R11 VanDerWaalsContact O-CB 3.26Å; K7-R11 WeakPolarHBondContact O-CB 3.27Å; K7-R11 PolarHBondContact O-N 3.06Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 IonicContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 2.77Å; E8-R11 PolarHBondContact OE1-NE 3.47Å; E8-R11 IonicContact OE1-NH2 3.96Å; E8-R11 PolarHBondContact OE1-NH2 2.94Å; E8-R11 IonicContact OE2-CZ 3.85Å; E8-R11 IonicContact OE2-NE 3.93Å; E8-R11 PolarHBondContact OE2-NE 2.85Å; E8-R11 IonicContact OE2-NH2 3.3Å; E8-R11 PolarHBondContact OE2-NH2 3.44Å; R11-G14 PolarHBondContact O-N 3.22Å; R11-R15 VanDerWaalsContact O-CB 3.27Å; R11-R15 WeakPolarHBondContact O-CB 3.23Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 2.9Å |
| 12 | K | 76.8 | Confident | 66.4 | Low | 133 Ų | 133 | 112.6 Ų | 112.6 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.5 | -45.1 | 176 | -74.4 | -178.5 | -179.8 | -178.1 | 0 | 111.5 | E8 K9 | E8-K12 WeakPolarHBondContact O-CB 3.24Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 3.4Å; E8-K12 WeakPolarHBondContact OE1-CE 3.16Å; K9-K12 PolarHBondContact O-N 3.43Å |
| 13 | Q | 69.7 | Low | 65.3 | Low | 115 Ų | 115 | 109.5 Ų | 109.5 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.8 | -28.2 | 175.7 | -75.8 | -170.8 | -27.7 | 0 | 0 | 113.1 | K9 T16 Y17 | K9-Q13 WeakPolarHBondContact O-CB 3.26Å; K9-Q13 PolarHBondContact O-N 3.34Å; Q13-T16 PolarHBondContact O-OG1 3.42Å; Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å |
| 14 | G | 60.9 | Low | 63.7 | Low | 31 Ų | 31 | 114 Ų | 114 | 32% | 0.32 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.9 | -31.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L10 R11 T16 Y17 Y18 | L10-G14 WeakPolarHBondContact O-CA 3.13Å; L10-G14 PolarHBondContact O-N 3.09Å; R11-G14 PolarHBondContact O-N 3.22Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.68Å; G14-Y17 PolarHBondContact O-N 3.03Å; G14-Y18 PolarHBondContact O-N 3.48Å |
| 15 | R | 54.6 | Low | 61.8 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 60% | 0.596 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.6 | -25.7 | 175.5 | -84.7 | -175.1 | 175.9 | -157.3 | 0.4 | 113.3 | R11 Y17 Y18 S19 | R11-R15 VanDerWaalsContact O-CB 3.27Å; R11-R15 WeakPolarHBondContact O-CB 3.23Å; R11-R15 WeakPolarHBondContact O-CG 3.49Å; R11-R15 PolarHBondContact O-N 2.9Å; R15-Y17 PolarHBondContact O-N 2.75Å; R15-Y18 CarbonylContact O-C 3.51Å; R15-S19 WeakPolarHBondContact O-CB 3.26Å; R15-S19 PolarHBondContact O-N 3.41Å |
| 16 | T | 55.7 | Low | 59.6 | Low | 105 Ų | 105 | 118.3 Ų | 118.3 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.6 | 170.1 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | Q13 G14 | Q13-T16 PolarHBondContact O-OG1 3.42Å; G14-T16 VanDerWaalsContact C-N 3.29Å; G14-T16 PolarHBondContact O-N 2.68Å |
| 17 | Y | 54.8 | Low | 58.1 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 48% | 0.478 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.9 | -23 | 176.4 | -75.1 | -101.8 | 0 | 0 | 0 | 113.3 | Q13 G14 R15 | Q13-Y17 WeakPolarHBondContact O-CD2 3.41Å; G14-Y17 PolarHBondContact O-N 3.03Å; R15-Y17 PolarHBondContact O-N 2.75Å |
| 18 | Y | 49.5 | Very low | 56.4 | Low | 166 Ų | 166 | 123.7 Ų | 123.7 | 65% | 0.651 | 64% | 0.644 | S | S | * | * | trans | -133.7 | 64.7 | 178.2 | -64.8 | -84.8 | 0 | 0 | 0 | 111.1 | G14 R15 | G14-Y18 PolarHBondContact O-N 3.48Å; R15-Y18 CarbonylContact O-C 3.51Å | ||
| 19 | S | 47.5 | Very low | 54.6 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | -97.5 | 116.6 | 165.8 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | R15 | R15-S19 WeakPolarHBondContact O-CB 3.26Å; R15-S19 PolarHBondContact O-N 3.41Å | ||
| 20 | H | 47.2 | Very low | 53.2 | Low | 154 Ų | 154 | 126 Ų | 126 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -48.3 | 127.5 | -174.8 | -92.8 | -79.1 | 0 | 0 | 0 | 114.7 | K22 | H20-K22 HydrophobicContact CB-CG 4.37Å; H20-K22 PolarHBondContact O-N 2.82Å | ||
| 21 | A | 44.2 | Very low | 51.5 | Low | 99 Ų | 99 | 126.4 Ų | 126.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -63.2 | 110.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 22 | K | 50.6 | Low | 50 | Low | 160 Ų | 160 | 126.5 Ų | 126.5 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | trans | -143.3 | 89.6 | 156.2 | -74.9 | -167.6 | 179.1 | -173.9 | 0 | 104.6 | H20 | H20-K22 HydrophobicContact CB-CG 4.37Å; H20-K22 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 47.2 | Very low | 48.6 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | 66.7 | 90.3 | 102.5 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | H25 | S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.14Å | |||
| 24 | D | 45.7 | Very low | 47.1 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -57.5 | 106.2 | 157.2 | -73 | -46 | 0 | 0 | 0 | 108.6 | ||
| 25 | H | 43.7 | Very low | 46.8 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | trans | -175.9 | 100.5 | 150.3 | -88 | -43.1 | 0 | 0 | 0 | 107.3 | S23 | S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | G | 37.4 | Very low | 46.3 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -172.8 | 81.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 27 | S | 43.9 | Very low | 45.9 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 86.8 | 144.8 | -51.2 | 0 | 0 | 0 | 0 | 118.6 | S29 | S27-S29 PolarHBondContact O-N 3.39Š| ||
| 28 | H | 41.9 | Very low | 45.7 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -63.6 | 111.1 | 141.9 | -89.1 | -80.8 | 0 | 0 | 0 | 108.7 | ||||
| 29 | S | 43.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -141.2 | 97.1 | 162.2 | -176.7 | 0 | 0 | 0 | 0 | 106.6 | S27 | S27-S29 PolarHBondContact O-N 3.39Š| ||
| 30 | V | 48.5 | Very low | 46 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -105.2 | 108.3 | 169.4 | -177.8 | 0 | 0 | 0 | 0 | 106 | A32 | V30-A32 PolarHBondContact O-N 3.31Š| ||
| 31 | S | 43.5 | Very low | 46.3 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66 | 119 | 171.9 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 32 | A | 43.9 | Very low | 46.2 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 122.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V30 | V30-A32 PolarHBondContact O-N 3.31Š|
| 33 | S | 46.3 | Very low | 45.7 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88 | 140.9 | 176.2 | -162.7 | 0 | 0 | 0 | 0 | 110 | ||
| 34 | P | 39.4 | Very low | 45.4 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 129.3 | -174.4 | 35.1 | -28.7 | 0 | 0 | 0 | 111.8 | ||
| 35 | K | 52.9 | Low | 45.3 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -152 | 99.8 | 156.3 | -67.8 | -166.8 | 177.4 | -176.9 | 0 | 106.3 | ||||
| 36 | E | 44.3 | Very low | 45.5 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 63.5 | 112.2 | 84.1 | -158.9 | 173.5 | -138.4 | 0 | 0 | 111.1 | |||||
| 37 | V | 48.7 | Very low | 46 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | 160.7 | 99 | 150.7 | 160.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 38 | T | 50.5 | Low | 46.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | 85.2 | 107.7 | 124.4 | -40.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 39 | D | 48.7 | Very low | 46.5 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 121.6 | 133.4 | -59.2 | -17.9 | 0 | 0 | 0 | 124.7 | ||||
| 40 | H | 54.7 | Low | 46.8 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | 66.8 | 107 | 127.1 | -74.8 | -18.7 | 0 | 0 | 0 | 120.7 | |||||
| 41 | H | 52.4 | Low | 47 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | 168.5 | 144.3 | 90.2 | -91.2 | -59.7 | 0 | 0 | 0 | 112.2 | |||||
| 42 | H | 41.5 | Very low | 47 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -50.4 | 145.9 | 170.1 | -89.6 | -66.4 | 0 | 0 | 0 | 114.1 | ||||
| 43 | C | 40.5 | Very low | 47.1 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | -175.6 | 157.4 | 106.5 | -113 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 44 | T | 41.5 | Very low | 47.1 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -88.5 | 143.5 | -157.7 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 45 | S | 44.1 | Very low | 47.4 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 57.7 | 138.5 | 133.2 | -64.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 46 | N | 47.9 | Very low | 47.3 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 77.1 | 123.3 | 156.4 | -64 | 1.8 | 0 | 0 | 0 | 114.6 | ||||
| 47 | D | 46.4 | Very low | 47.4 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | cis | -157.3 | 134.9 | 48.8 | -91.9 | -46.9 | 0 | 0 | 0 | 114.7 | ||||
| 48 | S | 48.1 | Very low | 47.5 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 75.7 | 151.3 | 134.7 | -73.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 49 | P | 49.9 | Very low | 47.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -114.6 | -172.3 | -131.3 | 42 | -32.2 | 0 | 0 | 0 | 113.8 | ||||
| 50 | I | 48.8 | Very low | 47.9 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | 166.1 | 130.6 | 142.6 | -82.1 | 151.8 | 0 | 0 | 0 | 112 | ||||
| 51 | I | 52.2 | Low | 47.7 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 98.4 | 92 | 162.3 | -40.2 | -162.5 | 0 | 0 | 0 | 121.5 | ||||
| 52 | A | 43.8 | Very low | 47.7 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | 72.5 | 112.9 | 118.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 53 | A | 47.1 | Very low | 48.1 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -53.2 | 147.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 54 | K | 45.7 | Very low | 48.5 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | 153.5 | 106.6 | 118.3 | -88.9 | 178.5 | 174.9 | 176.5 | 0 | 111.2 | |||||
| 55 | A | 45.9 | Very low | 48.7 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 79.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 56 | S | 49.9 | Very low | 49.1 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 141.5 | 160.6 | -79.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 57 | N | 47.8 | Very low | 49.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | 99.2 | 76.2 | 173.7 | -51.3 | -20.9 | 0 | 0 | 0 | 116.2 | ||||
| 58 | S | 50.5 | Low | 49.1 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -161.5 | 78.1 | 148 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 59 | K | 55.7 | Low | 49.1 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -139.4 | 19.5 | 178.7 | -118.5 | -178.1 | -176 | -177.1 | 0 | 113.9 | ||
| 60 | R | 52.5 | Low | 48.9 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -127.5 | 3.4 | -174.1 | -76.3 | -171.2 | 178 | 162.7 | 0 | 117.6 | ||
| 61 | D | 48.9 | Very low | 48.7 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -110.6 | 6.7 | -174.6 | -85.2 | -31.4 | 0 | 0 | 0 | 116.9 | ||
| 62 | I | 53.1 | Low | 48.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -88.9 | -9.4 | -170.2 | -62.8 | 175.3 | 0 | 0 | 0 | 113.7 | ||
| 63 | T | 49.5 | Very low | 48.9 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -100.7 | -1.6 | -170.3 | 49.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 64 | Q | 50 | Low | 49.4 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -99.5 | -2.3 | -175.8 | -76.1 | -174.7 | -2.8 | 0 | 0 | 116.1 | ||
| 65 | N | 45.3 | Very low | 50.6 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -102 | 19.2 | -171.3 | -106.3 | 2.1 | 0 | 0 | 0 | 116.2 | ||
| 66 | T | 51.7 | Low | 52.3 | Low | 115 Ų | 115 | 135.7 Ų | 135.7 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -101.3 | -0.9 | -175.5 | 58.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 67 | E | 48.4 | Very low | 53.9 | Low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -100 | 1.4 | -170.9 | -69.4 | -177 | 161 | 0 | 0 | 115.7 | ||
| 68 | N | 46.3 | Very low | 55.5 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -110.3 | 17.3 | -177.6 | -71.3 | -41.5 | 0 | 0 | 0 | 115.2 | T70 | N68-T70 PolarHBondContact O-N 3.43Š|
| 69 | L | 47.1 | Very low | 57.2 | Low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | trans | -96.5 | 29.1 | -175.1 | -129.9 | 85.9 | 0 | 0 | 0 | 114.7 | ||||
| 70 | T | 47 | Very low | 58.8 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | trans | -111.1 | 26.2 | -170.6 | -30.4 | 0 | 0 | 0 | 0 | 113.8 | N68 | N68-T70 PolarHBondContact O-N 3.43Š| ||
| 71 | Q | 44 | Very low | 60.5 | Low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.874 | 63% | 0.629 | S | S | * | * | trans | -146.8 | 77.8 | 177.1 | -73.2 | -95.5 | -19.4 | 0 | 0 | 111.3 | ||||
| 72 | P | 50.6 | Low | 62.5 | Low | 62 Ų | 62 | 117.9 Ų | 117.9 | 40% | 0.403 | 62% | 0.616 | S | S | . | * | trans | -151.9 | 38.8 | 150.1 | 39 | -19.6 | 0 | 0 | 0 | 116.1 | ||||
| 73 | F | 50.1 | Low | 64.3 | Low | 162 Ų | 162 | 114.6 Ų | 114.6 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -86 | -3.5 | -177.1 | -70.7 | -73.9 | 0 | 0 | 0 | 116.1 | ||
| 74 | G | 58.3 | Low | 66.3 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 54% | 0.536 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -82.4 | -24.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q78 | G74-Q78 WeakPolarHBondContact O-CG 3.39Å; G74-Q78 PolarHBondContact O-NE2 2.71Å; G74-Q78 PolarHBondContact O-OE1 2.89Å |
| 75 | S | 70.6 | Confident | 68.3 | Low | 48 Ų | 48 | 114.6 Ų | 114.6 | 34% | 0.336 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -97 | -37.2 | -175.8 | -171.7 | 0 | 0 | 0 | 0 | 113.1 | K79 | S75-K79 VanDerWaalsContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 WeakPolarHBondContact O-CD 3.27Å; S75-K79 WeakPolarHBondContact O-CG 3.15Å; S75-K79 PolarHBondContact O-N 3Å; S75-K79 VanDerWaalsContact OG-CE 3.23Å; S75-K79 WeakPolarHBondContact OG-CE 3.39Å; S75-K79 PolarHBondContact OG-NZ 3.2Å |
| 76 | V | 80.8 | Confident | 70.5 | Confident | 53 Ų | 53 | 112.5 Ų | 112.5 | 32% | 0.321 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.6 | -45.3 | -173.9 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | K79 R80 | V76-K79 PolarHBondContact O-N 2.86Å; V76-R80 HydrophobicContact CG1-CG 4.45Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 VanDerWaalsContact O-CG 3.27Å; V76-R80 WeakPolarHBondContact O-CG 3.47Å; V76-R80 PolarHBondContact O-N 2.7Å |
| 77 | E | 83.4 | Confident | 72.3 | Confident | 71 Ų | 71 | 114 Ų | 114 | 33% | 0.332 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -41 | 178.7 | -67.1 | -52.8 | 138.7 | 0 | 0 | 111.9 | K79 R80 D81 | E77-K79 PolarHBondContact O-N 3.41Å; E77-R80 WeakPolarHBondContact O-CB 3.25Å; E77-R80 PolarHBondContact O-N 2.92Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.6Å; E77-R80 IonicContact OE1-NE 2.66Å; E77-R80 IonicContact OE1-NH1 2.7Å; E77-R80 PolarHBondContact OE1-NH1 2.83Å; E77-R80 IonicContact OE2-NH1 3.94Å; E77-D81 PolarHBondContact O-N 3.43Å |
| 78 | Q | 81.8 | Confident | 74.3 | Confident | 129 Ų | 129 | 110 Ų | 110 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 172.3 | -70.2 | 179.4 | -1.8 | 0 | 0 | 111.9 | G74 R80 D81 I82 | G74-Q78 WeakPolarHBondContact O-CG 3.39Å; G74-Q78 PolarHBondContact O-NE2 2.71Å; G74-Q78 PolarHBondContact O-OE1 2.89Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.23Å; Q78-D81 PolarHBondContact O-N 3.33Å; Q78-I82 VanDerWaalsContact O-CG1 3.24Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.27Å |
| 79 | K | 86.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.7 | -77 | 168.6 | 177.1 | 165.2 | 0 | 111.8 | S75 V76 E77 I82 L83 | S75-K79 VanDerWaalsContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CB 3.39Å; S75-K79 WeakPolarHBondContact O-CD 3.27Å; S75-K79 WeakPolarHBondContact O-CG 3.15Å; S75-K79 PolarHBondContact O-N 3Å; S75-K79 VanDerWaalsContact OG-CE 3.23Å; S75-K79 WeakPolarHBondContact OG-CE 3.39Å; S75-K79 PolarHBondContact OG-NZ 3.2Å; V76-K79 PolarHBondContact O-N 2.86Å; E77-K79 PolarHBondContact O-N 3.41Å; K79-I82 PolarHBondContact O-N 3.2Å; K79-L83 WeakPolarHBondContact O-CB 3.43Å; K79-L83 VanDerWaalsContact O-CG 3.25Å; K79-L83 WeakPolarHBondContact O-CG 3.34Å; K79-L83 PolarHBondContact O-N 2.9Å |
| 80 | R | 88.5 | Confident | 78.1 | Confident | 123 Ų | 123 | 103.2 Ų | 103.2 | 46% | 0.464 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.3 | -76.8 | 172.7 | 176.5 | -179.8 | -1.9 | 111.6 | V76 E77 Q78 L83 R84 | V76-R80 HydrophobicContact CG1-CG 4.45Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 VanDerWaalsContact O-CG 3.27Å; V76-R80 WeakPolarHBondContact O-CG 3.47Å; V76-R80 PolarHBondContact O-N 2.7Å; E77-R80 WeakPolarHBondContact O-CB 3.25Å; E77-R80 PolarHBondContact O-N 2.92Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.6Å; E77-R80 IonicContact OE1-NE 2.66Å; E77-R80 IonicContact OE1-NH1 2.7Å; E77-R80 PolarHBondContact OE1-NH1 2.83Å; E77-R80 IonicContact OE2-NH1 3.94Å; Q78-R80 VanDerWaalsContact C-N 3.34Å; Q78-R80 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.29Å; R80-R84 WeakPolarHBondContact O-CB 3.42Å; R80-R84 PolarHBondContact O-N 3.41Å |
| 81 | D | 89.7 | Confident | 79.9 | Confident | 61 Ų | 61 | 103.9 Ų | 103.9 | 33% | 0.326 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 177 | -77.4 | -20.8 | 0 | 0 | 0 | 112 | E77 Q78 R84 R85 | E77-D81 PolarHBondContact O-N 3.43Å; Q78-D81 PolarHBondContact O-N 3.33Å; D81-R84 WeakPolarHBondContact O-CB 3.44Å; D81-R84 PolarHBondContact O-N 3.42Å; D81-R84 IonicContact OD1-CZ 2.75Å; D81-R84 IonicContact OD1-NH1 3.41Å; D81-R84 PolarHBondContact OD1-NH1 2.99Å; D81-R84 IonicContact OD1-NH2 3.45Å; D81-R84 PolarHBondContact OD1-NH2 3.19Å; D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 2.88Å |
| 82 | I | 89.5 | Confident | 81.7 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 173.1 | -68.3 | 164.1 | 0 | 0 | 0 | 109.9 | Q78 K79 R84 R85 L86 | Q78-I82 VanDerWaalsContact O-CG1 3.24Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.27Å; K79-I82 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 2.89Å; I82-R85 PolarHBondContact O-N 3.46Å; I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.95Å |
| 83 | L | 91.5 | Very high | 83.1 | Confident | 90 Ų | 90 | 106.9 Ų | 106.9 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 176.4 | -72.7 | 172.5 | 0 | 0 | 0 | 111.9 | K79 R80 L86 R87 | K79-L83 WeakPolarHBondContact O-CB 3.43Å; K79-L83 VanDerWaalsContact O-CG 3.25Å; K79-L83 WeakPolarHBondContact O-CG 3.34Å; K79-L83 PolarHBondContact O-N 2.9Å; R80-L83 PolarHBondContact O-N 3.29Å; L83-L86 PolarHBondContact O-N 3.48Å; L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.47Å; L83-R87 PolarHBondContact O-N 2.86Å |
| 84 | R | 91.8 | Very high | 84.4 | Confident | 108 Ų | 108 | 106.3 Ų | 106.3 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 174.8 | -169.9 | -170.4 | -61.3 | 133.9 | 9.2 | 110.8 | R80 D81 I82 R87 I88 | R80-R84 WeakPolarHBondContact O-CB 3.42Å; R80-R84 PolarHBondContact O-N 3.41Å; D81-R84 WeakPolarHBondContact O-CB 3.44Å; D81-R84 PolarHBondContact O-N 3.42Å; D81-R84 IonicContact OD1-CZ 2.75Å; D81-R84 IonicContact OD1-NH1 3.41Å; D81-R84 PolarHBondContact OD1-NH1 2.99Å; D81-R84 IonicContact OD1-NH2 3.45Å; D81-R84 PolarHBondContact OD1-NH2 3.19Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 2.89Å; R84-R87 PolarHBondContact O-N 3.3Å; R84-I88 HydrophobicContact CG-CD1 4.42Å; R84-I88 WeakPolarHBondContact O-CG1 3.45Å; R84-I88 PolarHBondContact O-N 2.9Å; R84-I88 VanDerWaalsContact O-N 3.12Å |
| 85 | R | 91.5 | Very high | 85.2 | Confident | 185 Ų | 185 | 108.6 Ų | 108.6 | 70% | 0.698 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 176.9 | -69.1 | 175.9 | -173.7 | -167.1 | 2 | 111.5 | D81 I82 R87 I88 V89 | D81-R85 WeakPolarHBondContact O-CG 3.39Å; D81-R85 PolarHBondContact O-N 2.88Å; I82-R85 PolarHBondContact O-N 3.46Å; R85-R87 PolarHBondContact O-N 3.18Å; R85-I88 WeakPolarHBondContact O-CB 3.41Å; R85-I88 PolarHBondContact O-N 3.12Å; R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.38Å |
| 86 | L | 91.2 | Very high | 85.5 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178 | -71 | 175.1 | 0 | 0 | 0 | 112.2 | I82 L83 I88 V89 E90 | I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.48Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 PolarHBondContact O-N 2.66Å; L86-V89 PolarHBondContact O-N 3.01Å; L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.43Å |
| 87 | R | 90.5 | Very high | 85.2 | Confident | 147 Ų | 147 | 110.5 Ų | 110.5 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -35.9 | 175.3 | -74.1 | 175.2 | -172.5 | 175.3 | 3.2 | 112.8 | L83 R84 R85 R91 | L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.47Å; L83-R87 PolarHBondContact O-N 2.86Å; R84-R87 PolarHBondContact O-N 3.3Å; R85-R87 PolarHBondContact O-N 3.18Å; R87-R91 WeakPolarHBondContact O-CB 3.14Å; R87-R91 PolarHBondContact O-N 2.82Å |
| 88 | I | 89.3 | Confident | 84.8 | Confident | 81 Ų | 81 | 111.9 Ų | 111.9 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 174.7 | -69.4 | 166.9 | 0 | 0 | 0 | 109.7 | R84 R85 L86 E90 R91 Y92 | R84-I88 HydrophobicContact CG-CD1 4.42Å; R84-I88 WeakPolarHBondContact O-CG1 3.45Å; R84-I88 PolarHBondContact O-N 2.9Å; R84-I88 VanDerWaalsContact O-N 3.12Å; R85-I88 WeakPolarHBondContact O-CB 3.41Å; R85-I88 PolarHBondContact O-N 3.12Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 PolarHBondContact O-N 2.66Å; I88-E90 PolarHBondContact O-N 3.47Å; I88-R91 PolarHBondContact O-N 3.27Å; I88-Y92 HydrophobicContact CG2-CD2 3.58Å; I88-Y92 HydrophobicContact CG2-CE2 3.33Å; I88-Y92 WeakPolarHBondContact O-CD2 3.23Å; I88-Y92 PolarHBondContact O-N 3.27Å |
| 89 | V | 86.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 110.7 Ų | 110.7 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | R85 L86 R91 Y92 R93 | R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.38Å; L86-V89 PolarHBondContact O-N 3.01Å; V89-R91 VanDerWaalsContact C-N 3.32Å; V89-R91 PolarHBondContact O-N 3.01Å; V89-Y92 PolarHBondContact O-N 2.99Å; V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 2.94Å |
| 90 | E | 86.5 | Confident | 84.4 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 177.8 | -169.8 | -171.9 | 170.1 | 0 | 0 | 111.7 | L86 I88 R93 K94 | L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.43Å; I88-E90 PolarHBondContact O-N 3.47Å; E90-R93 PolarHBondContact O-N 3.4Å; E90-K94 HydrophobicContact CG-CD 4.4Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.36Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.29Å |
| 91 | R | 84.6 | Confident | 84.1 | Confident | 136 Ų | 136 | 108.7 Ų | 108.7 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 174.6 | -175.4 | -172.1 | -60.9 | -167.2 | 0.2 | 111.5 | R87 I88 V89 R93 K94 E95 | R87-R91 WeakPolarHBondContact O-CB 3.14Å; R87-R91 PolarHBondContact O-N 2.82Å; I88-R91 PolarHBondContact O-N 3.27Å; V89-R91 VanDerWaalsContact C-N 3.32Å; V89-R91 PolarHBondContact O-N 3.01Å; R91-R93 PolarHBondContact O-N 3.43Å; R91-K94 PolarHBondContact O-N 3.3Å; R91-K94 VanDerWaalsContact O-N 3.13Å; R91-E95 WeakPolarHBondContact CD-OE1 3.38Å; R91-E95 HydrophobicContact CG-CG 4.43Å; R91-E95 VanDerWaalsContact CG-OE1 3.23Å; R91-E95 WeakPolarHBondContact CG-OE1 3.18Å; R91-E95 PolarHBondContact O-N 3.13Å |
| 92 | Y | 82.1 | Confident | 83.8 | Confident | 120 Ų | 120 | 111.6 Ų | 111.6 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | -179.9 | -76.6 | -59.4 | 0 | 0 | 0 | 112.6 | I88 V89 A97 | I88-Y92 HydrophobicContact CG2-CD2 3.58Å; I88-Y92 HydrophobicContact CG2-CE2 3.33Å; I88-Y92 WeakPolarHBondContact O-CD2 3.23Å; I88-Y92 PolarHBondContact O-N 3.27Å; V89-Y92 PolarHBondContact O-N 2.99Å; Y92-A97 HydrophobicContact CD1-CB 4.04Å; Y92-A97 PolarHBondContact O-N 3.48Å |
| 93 | R | 80.1 | Confident | 83.6 | Confident | 191 Ų | 191 | 112.5 Ų | 112.5 | 72% | 0.721 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -46.9 | 171.7 | -73.8 | 179.7 | 177.7 | -169.6 | -1.2 | 112.3 | V89 E90 R91 E95 E96 | V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 2.94Å; E90-R93 PolarHBondContact O-N 3.4Å; R91-R93 PolarHBondContact O-N 3.43Å; R93-E95 PolarHBondContact O-N 2.94Å; R93-E96 PolarHBondContact O-N 2.95Å |
| 94 | K | 77.6 | Confident | 83.5 | Confident | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -37.2 | -179.2 | -77 | 179.2 | -177.3 | 172.3 | 0 | 113.5 | E90 R91 E96 | E90-K94 HydrophobicContact CG-CD 4.4Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.36Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.29Å; R91-K94 PolarHBondContact O-N 3.3Å; R91-K94 VanDerWaalsContact O-N 3.13Å; K94-E96 PolarHBondContact O-N 3.02Å |
| 95 | E | 76 | Confident | 83.3 | Confident | 100 Ų | 100 | 111.3 Ų | 111.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.4 | -178.3 | -71.4 | 175 | -168 | 0 | 0 | 113.2 | R91 R93 A97 K100 | R91-E95 WeakPolarHBondContact CD-OE1 3.38Å; R91-E95 HydrophobicContact CG-CG 4.43Å; R91-E95 VanDerWaalsContact CG-OE1 3.23Å; R91-E95 WeakPolarHBondContact CG-OE1 3.18Å; R91-E95 PolarHBondContact O-N 3.13Å; R93-E95 PolarHBondContact O-N 2.94Å; E95-A97 HydrophobicContact CB-CB 3.98Å; E95-A97 PolarHBondContact O-N 3.3Å; E95-K100 PolarHBondContact O-NZ 3.39Å |
| 96 | E | 77 | Confident | 83.1 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 31.5 | -166.9 | -66.7 | 178 | 175.7 | 0 | 0 | 111.1 | R93 K94 L98 L99 K100 | R93-E96 PolarHBondContact O-N 2.95Å; K94-E96 PolarHBondContact O-N 3.02Å; E96-L98 PolarHBondContact O-N 3.21Å; E96-L99 HydrophobicContact CB-CD1 4.25Å; E96-L99 HydrophobicContact CG-CD1 4.38Å; E96-L99 PolarHBondContact O-N 3.3Å; E96-L99 VanDerWaalsContact O-N 3.17Å; E96-K100 PolarHBondContact O-N 2.94Å |
| 97 | A | 74.3 | Confident | 83 | Confident | 17 Ų | 17 | 105.5 Ų | 105.5 | 14% | 0.14 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -66.8 | -31.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y92 E95 K100 V101 | Y92-A97 HydrophobicContact CD1-CB 4.04Å; Y92-A97 PolarHBondContact O-N 3.48Å; E95-A97 HydrophobicContact CB-CB 3.98Å; E95-A97 PolarHBondContact O-N 3.3Å; A97-K100 PolarHBondContact O-N 3.33Å; A97-V101 VanDerWaalsContact O-CG2 3.32Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.17Å |
| 98 | L | 73.8 | Confident | 83.1 | Confident | 100 Ų | 100 | 106.4 Ų | 106.4 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.1 | -64.1 | 179.1 | 0 | 0 | 0 | 111.5 | E96 K100 V101 E102 | E96-L98 PolarHBondContact O-N 3.21Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.42Å; L98-V101 PolarHBondContact O-N 3.24Å; L98-V101 VanDerWaalsContact O-N 3.17Å; L98-E102 WeakPolarHBondContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CG 3.21Å; L98-E102 PolarHBondContact O-N 2.96Å |
| 99 | L | 78.2 | Confident | 83.1 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 176.6 | -64 | 177.9 | 0 | 0 | 0 | 111.8 | E96 H103 | E96-L99 HydrophobicContact CB-CD1 4.25Å; E96-L99 HydrophobicContact CG-CD1 4.38Å; E96-L99 PolarHBondContact O-N 3.3Å; E96-L99 VanDerWaalsContact O-N 3.17Å; L99-H103 WeakPolarHBondContact O-CB 3.46Å; L99-H103 PolarHBondContact O-N 3.03Å |
| 100 | K | 81.4 | Confident | 83.2 | Confident | 128 Ų | 128 | 104.4 Ų | 104.4 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 175.2 | -68.9 | 169.9 | -177.4 | 151.7 | 0 | 111.6 | E95 E96 A97 L98 H103 L104 | E95-K100 PolarHBondContact O-NZ 3.39Å; E96-K100 PolarHBondContact O-N 2.94Å; A97-K100 PolarHBondContact O-N 3.33Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.42Å; K100-H103 PolarHBondContact O-N 3.4Å; K100-L104 WeakPolarHBondContact O-CB 3.42Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.16Å |
| 101 | V | 83.1 | Confident | 83.4 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.6 | 172 | 0 | 0 | 0 | 0 | 110.4 | A97 L98 H103 L104 I105 | A97-V101 VanDerWaalsContact O-CG2 3.32Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.17Å; L98-V101 PolarHBondContact O-N 3.24Å; L98-V101 VanDerWaalsContact O-N 3.17Å; V101-H103 PolarHBondContact O-N 3.1Å; V101-L104 WeakPolarHBondContact O-CA 3.35Å; V101-L104 PolarHBondContact O-N 3.18Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 HydrophobicContact CG1-CG1 4.26Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.88Å |
| 102 | E | 84.1 | Confident | 83.6 | Confident | 123 Ų | 123 | 100 Ų | 100 | 58% | 0.575 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.8 | -36.6 | 175.8 | -75.7 | 173.5 | -173.9 | 0 | 0 | 112.3 | L98 P106 | L98-E102 WeakPolarHBondContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CG 3.21Å; L98-E102 PolarHBondContact O-N 2.96Å; E102-P106 WeakPolarHBondContact O-CD 3.38Å |
| 103 | H | 84.7 | Confident | 83.9 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 52% | 0.523 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.3 | -25.4 | 174.7 | -172.8 | 66.5 | 0 | 0 | 0 | 113.9 | L99 K100 V101 K107 | L99-H103 WeakPolarHBondContact O-CB 3.46Å; L99-H103 PolarHBondContact O-N 3.03Å; K100-H103 PolarHBondContact O-N 3.4Å; V101-H103 PolarHBondContact O-N 3.1Å; H103-K107 PolarHBondContact CD2-NZ 3.26Å; H103-K107 WeakPolarHBondContact NE2-CE 3.43Å; H103-K107 PolarHBondContact NE2-NZ 2.82Å |
| 104 | L | 88.4 | Confident | 84.3 | Confident | 80 Ų | 80 | 90 Ų | 90 | 42% | 0.419 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -80.4 | -33 | 177 | -75.1 | 170.7 | 0 | 0 | 0 | 112.2 | K100 V101 K107 W108 | K100-L104 WeakPolarHBondContact O-CB 3.42Å; K100-L104 WeakPolarHBondContact O-CG 3.4Å; K100-L104 PolarHBondContact O-N 3.16Å; V101-L104 WeakPolarHBondContact O-CA 3.35Å; V101-L104 PolarHBondContact O-N 3.18Å; L104-K107 WeakPolarHBondContact O-CB 3.49Å; L104-K107 PolarHBondContact O-N 3.17Å; L104-K107 VanDerWaalsContact O-N 3.17Å; L104-W108 PolarHBondContact O-N 3.02Å |
| 105 | I | 87.5 | Confident | 84.9 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -50.4 | -56.1 | 178 | -72.3 | 166.5 | 0 | 0 | 0 | 112.1 | V101 K107 W108 L109 | V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 HydrophobicContact CG1-CG1 4.26Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.49Å; V101-I105 PolarHBondContact O-N 2.88Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.36Å; I105-W108 PolarHBondContact O-N 3.33Å; I105-L109 VanDerWaalsContact O-CB 3.24Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 PolarHBondContact O-N 3.46Å |
| 106 | P | 87.8 | Confident | 85.4 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | -178.7 | 25.7 | -34.5 | 0 | 0 | 0 | 112.3 | E102 L109 N110 | E102-P106 WeakPolarHBondContact O-CD 3.38Å; P106-L109 PolarHBondContact O-N 3.12Å; P106-N110 WeakPolarHBondContact O-CB 3.08Å; P106-N110 PolarHBondContact O-N 3.48Å; P106-N110 PolarHBondContact O-ND2 3.21Å; P106-N110 PolarHBondContact O-OD1 3.33Å |
| 107 | K | 89.3 | Confident | 85.9 | Confident | 106 Ų | 106 | 80.9 Ų | 80.9 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 175.7 | -68 | -176.9 | -176.7 | 176.3 | 0 | 111.6 | H103 L104 I105 V111 | H103-K107 PolarHBondContact CD2-NZ 3.26Å; H103-K107 WeakPolarHBondContact NE2-CE 3.43Å; H103-K107 PolarHBondContact NE2-NZ 2.82Å; L104-K107 WeakPolarHBondContact O-CB 3.49Å; L104-K107 PolarHBondContact O-N 3.17Å; L104-K107 VanDerWaalsContact O-N 3.17Å; I105-K107 VanDerWaalsContact C-N 3.29Å; I105-K107 PolarHBondContact O-N 3.36Å; K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.44Å; K107-V111 PolarHBondContact O-N 2.86Å; K107-V111 VanDerWaalsContact O-N 3.11Å |
| 108 | W | 92.2 | Very high | 86.6 | Confident | 167 Ų | 167 | 88.3 Ų | 88.3 | 63% | 0.633 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 177.8 | -77 | 111.5 | 0 | 0 | 0 | 111.6 | L104 I105 V111 C112 | L104-W108 PolarHBondContact O-N 3.02Å; I105-W108 PolarHBondContact O-N 3.33Å; W108-V111 PolarHBondContact O-N 3.2Å; W108-C112 WeakPolarHBondContact O-CB 3.24Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.88Å |
| 109 | L | 90 | Very high | 87.2 | Confident | 24 Ų | 24 | 86.7 Ų | 86.7 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 176 | -176.7 | 134.1 | 0 | 0 | 0 | 111.1 | I105 P106 V111 C112 Q113 L143 Q145 | I105-L109 VanDerWaalsContact O-CB 3.24Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 PolarHBondContact O-N 3.46Å; P106-L109 PolarHBondContact O-N 3.12Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.28Å; L109-C112 PolarHBondContact O-N 2.93Å; L109-C112 VanDerWaalsContact O-N 3.15Å; L109-Q113 HydrophobicContact CD2-CG 4.43Å; L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.08Å; L109-Q113 PolarHBondContact O-N 3.38Å; L109-L143 WeakPolarHBondContact CD1-O 3.5Å; L109-Q145 HydrophobicContact CD1-CG 4.01Å |
| 110 | N | 87.9 | Confident | 87.6 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.2 | -68.8 | -5 | 0 | 0 | 0 | 112 | P106 C112 Q113 D114 | P106-N110 WeakPolarHBondContact O-CB 3.08Å; P106-N110 PolarHBondContact O-N 3.48Å; P106-N110 PolarHBondContact O-ND2 3.21Å; P106-N110 PolarHBondContact O-OD1 3.33Å; N110-C112 VanDerWaalsContact C-N 3.34Å; N110-C112 PolarHBondContact O-N 3.17Å; N110-Q113 PolarHBondContact O-N 2.88Å; N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.32Å |
| 111 | V | 90.7 | Very high | 87.8 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | K107 W108 L109 V115 | K107-V111 VanDerWaalsContact O-CG2 3.28Å; K107-V111 WeakPolarHBondContact O-CG2 3.44Å; K107-V111 PolarHBondContact O-N 2.86Å; K107-V111 VanDerWaalsContact O-N 3.11Å; W108-V111 PolarHBondContact O-N 3.2Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.28Å; V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CB 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.18Å; V111-V115 PolarHBondContact O-N 3.15Å |
| 112 | C | 89.1 | Confident | 88 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 43% | 0.432 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 177.3 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | W108 L109 N110 V115 A116 | W108-C112 WeakPolarHBondContact O-CB 3.24Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.88Å; L109-C112 PolarHBondContact O-N 2.93Å; L109-C112 VanDerWaalsContact O-N 3.15Å; N110-C112 VanDerWaalsContact C-N 3.34Å; N110-C112 PolarHBondContact O-N 3.17Å; C112-V115 PolarHBondContact O-N 3.1Å; C112-A116 WeakPolarHBondContact O-CB 2.94Å; C112-A116 PolarHBondContact O-N 3.33Å |
| 113 | Q | 88.5 | Confident | 88 | Confident | 17 Ų | 17 | 81.4 Ų | 81.4 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.1 | -71.4 | 176.3 | -16.1 | 0 | 0 | 111.3 | L109 N110 V115 A116 Q117 I144 F153 | L109-Q113 HydrophobicContact CD2-CG 4.43Å; L109-Q113 WeakPolarHBondContact O-CB 3.38Å; L109-Q113 VanDerWaalsContact O-CG 3.28Å; L109-Q113 WeakPolarHBondContact O-CG 3.08Å; L109-Q113 PolarHBondContact O-N 3.38Å; N110-Q113 PolarHBondContact O-N 2.88Å; Q113-V115 PolarHBondContact O-N 3.04Å; Q113-A116 PolarHBondContact O-N 3.3Å; Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.41Å; Q113-I144 HydrophobicContact CG-CG2 3.68Å; Q113-I144 PolarHBondContact NE2-O 3.44Å; Q113-F153 HydrophobicContact CB-CD1 4.24Å; Q113-F153 HydrophobicContact CB-CD2 3.97Å; Q113-F153 HydrophobicContact CB-CE1 4.11Å; Q113-F153 HydrophobicContact CB-CE2 3.8Å; Q113-F153 HydrophobicContact CB-CG 4.19Å; Q113-F153 HydrophobicContact CB-CZ 3.88Å; Q113-F153 HydrophobicContact CG-CD1 3.54Å; Q113-F153 HydrophobicContact CG-CD2 4.1Å; Q113-F153 HydrophobicContact CG-CE1 3.66Å; Q113-F153 HydrophobicContact CG-CE2 4.19Å; Q113-F153 HydrophobicContact CG-CG 3.79Å; Q113-F153 HydrophobicContact CG-CZ 3.98Å |
| 114 | D | 89.2 | Confident | 87.8 | Confident | 84 Ų | 84 | 81 Ų | 81 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 177 | -80.4 | -14.6 | 0 | 0 | 0 | 111.6 | N110 R118 | N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.32Å; D114-R118 WeakPolarHBondContact O-CB 3.28Å; D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 3.44Å |
| 115 | V | 89.8 | Confident | 87.2 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | V111 C112 Q113 Q117 R118 V119 | V111-V115 HydrophobicContact CG1-CG2 4.32Å; V111-V115 WeakPolarHBondContact O-CB 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.18Å; V111-V115 PolarHBondContact O-N 3.15Å; C112-V115 PolarHBondContact O-N 3.1Å; Q113-V115 PolarHBondContact O-N 3.04Å; V115-Q117 PolarHBondContact O-N 3.32Å; V115-R118 PolarHBondContact O-N 2.84Å; V115-V119 HydrophobicContact CG1-CG2 4.22Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.48Å |
| 116 | A | 87.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 87.3 Ų | 87.3 | 8% | 0.083 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C112 Q113 R118 V119 W120 F133 F134 | C112-A116 WeakPolarHBondContact O-CB 2.94Å; C112-A116 PolarHBondContact O-N 3.33Å; Q113-A116 PolarHBondContact O-N 3.3Å; A116-R118 PolarHBondContact O-N 2.92Å; A116-V119 PolarHBondContact O-N 3.01Å; A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.33Å; A116-W120 PolarHBondContact O-N 3.11Å; A116-F133 HydrophobicContact CB-CE1 4.37Å; A116-F134 HydrophobicContact CB-CE1 3.44Å; A116-F134 VanDerWaalsContact CB-CE1 3.44Å; A116-F134 HydrophobicContact CB-CZ 3.49Å; A116-F134 VanDerWaalsContact CB-CZ 3.49Å |
| 117 | Q | 86.4 | Confident | 85.8 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 44% | 0.439 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.3 | -167.1 | 178.5 | 14.1 | 0 | 0 | 111.7 | Q113 V115 W120 N121 | Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.41Å; V115-Q117 PolarHBondContact O-N 3.32Å; Q117-W120 PolarHBondContact O-N 3.28Å; Q117-N121 WeakPolarHBondContact O-CB 3.21Å; Q117-N121 VanDerWaalsContact O-CG 3.26Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.49Å; Q117-N121 VanDerWaalsContact O-ND2 3.1Å |
| 118 | R | 88.5 | Confident | 85.3 | Confident | 173 Ų | 173 | 85.7 Ų | 85.7 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 174.5 | -74 | 169.7 | -171.8 | -127.5 | 3.8 | 111.9 | D114 V115 A116 N121 L122 | D114-R118 WeakPolarHBondContact O-CB 3.28Å; D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 3.44Å; V115-R118 PolarHBondContact O-N 2.84Å; A116-R118 PolarHBondContact O-N 2.92Å; R118-N121 PolarHBondContact O-N 3.48Å; R118-L122 WeakPolarHBondContact O-CG 3.42Å; R118-L122 PolarHBondContact O-N 2.84Å |
| 119 | V | 87.8 | Confident | 84.8 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | V115 A116 N121 L122 L123 F133 | V115-V119 HydrophobicContact CG1-CG2 4.22Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.28Å; V115-V119 PolarHBondContact O-N 3.48Å; A116-V119 PolarHBondContact O-N 3.01Å; V119-N121 VanDerWaalsContact C-N 3.31Å; V119-N121 PolarHBondContact O-N 2.85Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-L122 VanDerWaalsContact O-N 3.07Å; V119-L123 PolarHBondContact O-N 3.46Å; V119-F133 HydrophobicContact CB-CZ 4.06Å; V119-F133 HydrophobicContact CG1-CE2 4Å; V119-F133 HydrophobicContact CG1-CZ 3.56Å |
| 120 | W | 85.7 | Confident | 84.4 | Confident | 44 Ų | 44 | 79.4 Ų | 79.4 | 17% | 0.167 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 176.5 | -176.6 | 81 | 0 | 0 | 0 | 112.4 | A116 Q117 L122 L123 R127 P128 L130 F133 | A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.33Å; A116-W120 PolarHBondContact O-N 3.11Å; Q117-W120 PolarHBondContact O-N 3.28Å; W120-L122 PolarHBondContact O-N 3.26Å; W120-L123 WeakPolarHBondContact O-CB 3.48Å; W120-L123 PolarHBondContact O-N 3.47Å; W120-R127 HydrophobicContact CD2-CG 4.29Å; W120-R127 HydrophobicContact CH2-CG 4.41Å; W120-R127 HydrophobicContact CZ2-CG 3.71Å; W120-P128 PolarHBondContact NE1-O 2.8Å; W120-L130 HydrophobicContact CB-CD1 3.88Å; W120-L130 HydrophobicContact CD2-CD1 4.11Å; W120-L130 HydrophobicContact CG-CD1 3.65Å; W120-L130 HydrophobicContact CZ2-CB 4.49Å; W120-F133 HydrophobicContact CB-CD1 4.29Å; W120-F133 HydrophobicContact CB-CE1 4.36Å; W120-F133 AromaticContact CD1-CG 3.88Å |
| 121 | N | 85.6 | Confident | 84.1 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -21.8 | 175.4 | -79.4 | -35.3 | 0 | 0 | 0 | 114.4 | Q117 R118 V119 R127 | Q117-N121 WeakPolarHBondContact O-CB 3.21Å; Q117-N121 VanDerWaalsContact O-CG 3.26Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.49Å; Q117-N121 VanDerWaalsContact O-ND2 3.1Å; R118-N121 PolarHBondContact O-N 3.48Å; V119-N121 VanDerWaalsContact C-N 3.31Å; V119-N121 PolarHBondContact O-N 2.85Å; N121-R127 PolarHBondContact O-NH2 3.27Å; N121-R127 PolarHBondContact OD1-NH1 2.92Å |
| 122 | L | 88.1 | Confident | 83.8 | Confident | 148 Ų | 148 | 76.7 Ų | 76.7 | 78% | 0.775 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.9 | 178.2 | -69 | 170.5 | 0 | 0 | 0 | 113.3 | R118 V119 W120 | R118-L122 WeakPolarHBondContact O-CG 3.42Å; R118-L122 PolarHBondContact O-N 2.84Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-L122 VanDerWaalsContact O-N 3.07Å; W120-L122 PolarHBondContact O-N 3.26Å |
| 123 | L | 82.9 | Confident | 83.6 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -71 | 136.9 | 179.7 | -68.6 | 171.5 | 0 | 0 | 0 | 111.4 | V119 W120 P128 F133 | V119-L123 PolarHBondContact O-N 3.46Å; W120-L123 WeakPolarHBondContact O-CB 3.48Å; W120-L123 PolarHBondContact O-N 3.47Å; L123-P128 HydrophobicContact CD1-CG 4.15Å; L123-F133 HydrophobicContact CD1-CD2 3.67Å; L123-F133 HydrophobicContact CD1-CE2 3.93Å; L123-F133 HydrophobicContact CD1-CG 4.49Å |
| 124 | P | 81.3 | Confident | 83.5 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 68% | 0.682 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 152.7 | 174.1 | 30 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 125 | E | 75.2 | Confident | 83.3 | Confident | 180 Ų | 180 | 75.9 Ų | 75.9 | 84% | 0.841 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -69.1 | 141.7 | 176 | -68.4 | -177.4 | -179.2 | 0 | 0 | 111.6 | ||
| 126 | P | 72.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | S | Bend | cis | -79.6 | 127.7 | 6.8 | 31.5 | -33.5 | 0 | 0 | 0 | 112.6 | ||
| 127 | R | 73.4 | Confident | 83.1 | Confident | 98 Ų | 98 | 83.2 Ų | 83.2 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 121.3 | -179.1 | -168.8 | -179 | -67.2 | -162.2 | -6.4 | 109.3 | W120 N121 | W120-R127 HydrophobicContact CD2-CG 4.29Å; W120-R127 HydrophobicContact CH2-CG 4.41Å; W120-R127 HydrophobicContact CZ2-CG 3.71Å; N121-R127 PolarHBondContact O-NH2 3.27Å; N121-R127 PolarHBondContact OD1-NH1 2.92Å |
| 128 | P | 78.2 | Confident | 83.1 | Confident | 32 Ų | 32 | 87.2 Ų | 87.2 | 21% | 0.208 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 154.8 | 173.5 | 28.1 | -33.7 | 0 | 0 | 0 | 109.7 | W120 L123 E132 F133 | W120-P128 PolarHBondContact NE1-O 2.8Å; L123-P128 HydrophobicContact CD1-CG 4.15Å; P128-E132 HydrophobicContact CB-CB 4.02Å; P128-F133 HydrophobicContact CG-CB 4.43Å |
| 129 | S | 81.7 | Confident | 82.9 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -56 | 148.6 | 169.6 | 163.1 | 0 | 0 | 0 | 0 | 109.5 | A131 E132 F133 | S129-A131 PolarHBondContact O-N 3.44Å; S129-A131 PolarHBondContact OG-N 3.46Å; S129-E132 PolarHBondContact N-OE2 3.37Å; S129-E132 WeakPolarHBondContact O-CA 3.42Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 3.15Å; S129-F133 PolarHBondContact O-N 2.87Å |
| 130 | L | 82.1 | Confident | 82.7 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -33 | -179.2 | -175.8 | 57.5 | 0 | 0 | 0 | 111.2 | W120 F133 F134 F146 F153 | W120-L130 HydrophobicContact CB-CD1 3.88Å; W120-L130 HydrophobicContact CD2-CD1 4.11Å; W120-L130 HydrophobicContact CG-CD1 3.65Å; W120-L130 HydrophobicContact CZ2-CB 4.49Å; L130-F133 HydrophobicContact CD1-CD1 4.03Å; L130-F133 WeakPolarHBondContact O-CB 3.1Å; L130-F133 PolarHBondContact O-N 2.88Å; L130-F134 HydrophobicContact CD1-CD2 4.26Å; L130-F134 HydrophobicContact CD1-CE2 3.7Å; L130-F134 HydrophobicContact CD1-CZ 4.13Å; L130-F134 HydrophobicContact CD2-CE2 4.25Å; L130-F134 HydrophobicContact CG-CD2 4.1Å; L130-F134 HydrophobicContact CG-CE2 3.62Å; L130-F134 HydrophobicContact CG-CZ 4.47Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.34Å; L130-F146 HydrophobicContact CB-CE2 4.26Å; L130-F146 HydrophobicContact CB-CZ 3.94Å; L130-F146 HydrophobicContact CD2-CD2 4.38Å; L130-F146 HydrophobicContact CD2-CE2 3.45Å; L130-F146 VanDerWaalsContact CD2-CE2 3.45Å; L130-F146 HydrophobicContact CD2-CZ 3.99Å; L130-F146 HydrophobicContact CG-CE2 3.75Å; L130-F146 HydrophobicContact CG-CZ 3.92Å; L130-F153 HydrophobicContact CD2-CZ 4.28Å |
| 131 | A | 82.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 3% | 0.033 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S129 F133 F134 R135 F146 E148 | S129-A131 PolarHBondContact O-N 3.44Å; S129-A131 PolarHBondContact OG-N 3.46Å; A131-F133 VanDerWaalsContact C-N 3.33Å; A131-F134 PolarHBondContact O-N 2.85Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.27Å; A131-F146 HydrophobicContact CB-CE1 3.88Å; A131-E148 HydrophobicContact CB-CG 4.31Å |
| 132 | E | 83.8 | Confident | 82.3 | Confident | 96 Ų | 96 | 86.4 Ų | 86.4 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 177.7 | -69 | -178.6 | 154.1 | 0 | 0 | 111.6 | P128 S129 R135 Q136 | P128-E132 HydrophobicContact CB-CB 4.02Å; S129-E132 PolarHBondContact N-OE2 3.37Å; S129-E132 WeakPolarHBondContact O-CA 3.42Å; S129-E132 WeakPolarHBondContact O-CB 3.48Å; S129-E132 PolarHBondContact O-N 3.15Å; E132-R135 PolarHBondContact O-N 3.11Å; E132-Q136 WeakPolarHBondContact O-CB 3.49Å; E132-Q136 PolarHBondContact O-N 3.46Å |
| 133 | F | 85.8 | Confident | 82.1 | Confident | 14 Ų | 14 | 85.5 Ų | 85.5 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 173.4 | 172.8 | -106.5 | 0 | 0 | 0 | 111.7 | A116 V119 W120 L123 P128 S129 L130 A131 Q136 L137 | A116-F133 HydrophobicContact CB-CE1 4.37Å; V119-F133 HydrophobicContact CB-CZ 4.06Å; V119-F133 HydrophobicContact CG1-CE2 4Å; V119-F133 HydrophobicContact CG1-CZ 3.56Å; W120-F133 HydrophobicContact CB-CD1 4.29Å; W120-F133 HydrophobicContact CB-CE1 4.36Å; W120-F133 AromaticContact CD1-CG 3.88Å; L123-F133 HydrophobicContact CD1-CD2 3.67Å; L123-F133 HydrophobicContact CD1-CE2 3.93Å; L123-F133 HydrophobicContact CD1-CG 4.49Å; P128-F133 HydrophobicContact CG-CB 4.43Å; S129-F133 PolarHBondContact O-N 2.87Å; L130-F133 HydrophobicContact CD1-CD1 4.03Å; L130-F133 WeakPolarHBondContact O-CB 3.1Å; L130-F133 PolarHBondContact O-N 2.88Å; A131-F133 VanDerWaalsContact C-N 3.33Å; F133-Q136 PolarHBondContact O-N 2.93Å; F133-L137 HydrophobicContact CD1-CD1 4.17Å; F133-L137 HydrophobicContact CE1-CD1 3.56Å; F133-L137 HydrophobicContact CE2-CD1 4.02Å; F133-L137 HydrophobicContact CE2-CG 4.44Å; F133-L137 HydrophobicContact CZ-CD1 3.48Å; F133-L137 VanDerWaalsContact CZ-CD1 3.48Å; F133-L137 HydrophobicContact CZ-CG 4.36Å; F133-L137 WeakPolarHBondContact O-CG 3.45Å; F133-L137 PolarHBondContact O-N 2.93Å; F133-L137 VanDerWaalsContact O-N 3.1Å |
| 134 | F | 86.6 | Confident | 82 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.009 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 175.4 | -73.8 | -55.8 | 0 | 0 | 0 | 113.1 | A116 L130 A131 Q136 L137 H138 V139 L141 I144 F146 F153 | A116-F134 HydrophobicContact CB-CE1 3.44Å; A116-F134 VanDerWaalsContact CB-CE1 3.44Å; A116-F134 HydrophobicContact CB-CZ 3.49Å; A116-F134 VanDerWaalsContact CB-CZ 3.49Å; L130-F134 HydrophobicContact CD1-CD2 4.26Å; L130-F134 HydrophobicContact CD1-CE2 3.7Å; L130-F134 HydrophobicContact CD1-CZ 4.13Å; L130-F134 HydrophobicContact CD2-CE2 4.25Å; L130-F134 HydrophobicContact CG-CD2 4.1Å; L130-F134 HydrophobicContact CG-CE2 3.62Å; L130-F134 HydrophobicContact CG-CZ 4.47Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.34Å; A131-F134 PolarHBondContact O-N 2.85Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.37Å; F134-L137 CarbonylContact O-C 3.58Å; F134-L137 PolarHBondContact O-N 3.2Å; F134-L137 VanDerWaalsContact O-N 3.15Å; F134-H138 PolarHBondContact O-N 3.43Å; F134-V139 HydrophobicContact CD1-CB 4.41Å; F134-V139 PolarHBondContact O-N 3.42Å; F134-V139 VanDerWaalsContact O-N 3.1Å; F134-L141 HydrophobicContact CB-CD2 3.61Å; F134-L141 HydrophobicContact CD2-CD2 4.04Å; F134-L141 HydrophobicContact CG-CD2 4.14Å; F134-I144 HydrophobicContact CD1-CD1 4.05Å; F134-I144 HydrophobicContact CE1-CD1 3.66Å; F134-I144 HydrophobicContact CZ-CD1 4.31Å; F134-I144 HydrophobicContact CZ-CG2 4.29Å; F134-F146 HydrophobicContact CD2-CD2 4.34Å; F134-F146 HydrophobicContact CD2-CG 4.3Å; F134-F146 AromaticContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CE2 4.25Å; F134-F146 HydrophobicContact CE2-CG 4.27Å; F134-F153 AromaticContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CZ 4.06Å; F134-F153 AromaticContact CZ-CE1 3.75Å; F134-F153 HydrophobicContact CZ-CE1 3.75Å; F134-F153 AromaticContact CZ-CZ 3.82Å; F134-F153 HydrophobicContact CZ-CZ 3.82Å |
| 135 | R | 84.8 | Confident | 81.9 | Confident | 133 Ų | 133 | 82.5 Ų | 82.5 | 50% | 0.502 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 173.6 | -75.9 | -173 | -112.3 | 137.4 | -3.5 | 111.9 | A131 E132 L137 H138 E148 | A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.27Å; E132-R135 PolarHBondContact O-N 3.11Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-H138 PolarHBondContact O-N 2.9Å; R135-H138 VanDerWaalsContact O-N 3.16Å; R135-E148 IonicContact NE-OE1 3.48Å; R135-E148 IonicContact NH2-OE1 3.48Å |
| 136 | Q | 85.9 | Confident | 82 | Confident | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.7 | -33.2 | 175.9 | -173.3 | 176.9 | -2.1 | 0 | 0 | 112.5 | E132 F133 F134 H138 | E132-Q136 WeakPolarHBondContact O-CB 3.49Å; E132-Q136 PolarHBondContact O-N 3.46Å; F133-Q136 PolarHBondContact O-N 2.93Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.37Å; Q136-H138 PolarHBondContact O-N 3.29Å |
| 137 | L | 85.9 | Confident | 82.4 | Confident | 95 Ų | 95 | 70 Ų | 70 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.6 | 174 | -68.9 | 175.2 | 0 | 0 | 0 | 113.5 | F133 F134 R135 V139 | F133-L137 HydrophobicContact CD1-CD1 4.17Å; F133-L137 HydrophobicContact CE1-CD1 3.56Å; F133-L137 HydrophobicContact CE2-CD1 4.02Å; F133-L137 HydrophobicContact CE2-CG 4.44Å; F133-L137 HydrophobicContact CZ-CD1 3.48Å; F133-L137 VanDerWaalsContact CZ-CD1 3.48Å; F133-L137 HydrophobicContact CZ-CG 4.36Å; F133-L137 WeakPolarHBondContact O-CG 3.45Å; F133-L137 PolarHBondContact O-N 2.93Å; F133-L137 VanDerWaalsContact O-N 3.1Å; F134-L137 CarbonylContact O-C 3.58Å; F134-L137 PolarHBondContact O-N 3.2Å; F134-L137 VanDerWaalsContact O-N 3.15Å; R135-L137 VanDerWaalsContact C-N 3.33Å; L137-V139 HydrophobicContact CB-CG2 3.78Å; L137-V139 PolarHBondContact O-N 3.03Å |
| 138 | H | 86.2 | Confident | 82.6 | Confident | 178 Ų | 178 | 70.5 Ų | 70.5 | 82% | 0.824 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.3 | -172.4 | -62 | -70.9 | 0 | 0 | 0 | 113 | F134 R135 Q136 | F134-H138 PolarHBondContact O-N 3.43Å; R135-H138 PolarHBondContact O-N 2.9Å; R135-H138 VanDerWaalsContact O-N 3.16Å; Q136-H138 PolarHBondContact O-N 3.29Å |
| 139 | V | 84.6 | Confident | 82.4 | Confident | 46 Ų | 46 | 73 Ų | 73 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | trans | -91.1 | 130.2 | 175.1 | -175 | 0 | 0 | 0 | 0 | 109 | F134 L137 L141 I144 | F134-V139 HydrophobicContact CD1-CB 4.41Å; F134-V139 PolarHBondContact O-N 3.42Å; F134-V139 VanDerWaalsContact O-N 3.1Å; L137-V139 HydrophobicContact CB-CG2 3.78Å; L137-V139 PolarHBondContact O-N 3.03Å; V139-L141 PolarHBondContact O-N 3.43Å; V139-I144 HydrophobicContact CB-CD1 4.32Å; V139-I144 HydrophobicContact CG1-CD1 3.33Å; V139-I144 HydrophobicContact CG1-CG1 3.76Å | ||
| 140 | D | 84.7 | Confident | 81.9 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | trans | -65.7 | 122.9 | 174 | -165.2 | -12.3 | 0 | 0 | 0 | 109.9 | E142 L143 I144 | D140-E142 PolarHBondContact O-N 3.46Å; D140-E142 PolarHBondContact OD1-N 2.83Å; D140-L143 HydrophobicContact CB-CB 4.07Å; D140-L143 WeakPolarHBondContact O-CB 3.47Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.12Å; D140-I144 PolarHBondContact O-N 2.83Å | ||
| 141 | L | 81 | Confident | 81.5 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.7 | -30 | -177.9 | -65.9 | 165.4 | 0 | 0 | 0 | 111 | F134 V139 L143 I144 Q145 F146 E148 | F134-L141 HydrophobicContact CB-CD2 3.61Å; F134-L141 HydrophobicContact CD2-CD2 4.04Å; F134-L141 HydrophobicContact CG-CD2 4.14Å; V139-L141 PolarHBondContact O-N 3.43Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.27Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-Q145 PolarHBondContact O-N 3.3Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; L141-F146 HydrophobicContact CB-CB 4.45Å; L141-F146 HydrophobicContact CD2-CB 4.03Å; L141-F146 HydrophobicContact CD2-CD1 3.81Å; L141-F146 HydrophobicContact CD2-CG 4.17Å; L141-F146 PolarHBondContact O-N 2.77Å; L141-E148 HydrophobicContact CD1-CG 3.98Å; L141-E148 WeakPolarHBondContact CD1-OE1 3.19Å |
| 142 | E | 81.6 | Confident | 81.1 | Confident | 166 Ų | 166 | 82.8 Ų | 82.8 | 78% | 0.776 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.1 | -33.7 | 175.1 | -64.4 | -170.2 | 174.8 | 0 | 0 | 111.7 | D140 Q145 | D140-E142 PolarHBondContact O-N 3.46Å; D140-E142 PolarHBondContact OD1-N 2.83Å; E142-Q145 PolarHBondContact O-N 3.32Å |
| 143 | L | 82.5 | Confident | 80.8 | Confident | 129 Ų | 129 | 80 Ų | 80 | 68% | 0.675 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70 | -35.2 | -179 | -173.1 | 67.6 | 0 | 0 | 0 | 112.3 | L109 D140 L141 Q145 | L109-L143 WeakPolarHBondContact CD1-O 3.5Å; D140-L143 HydrophobicContact CB-CB 4.07Å; D140-L143 WeakPolarHBondContact O-CB 3.47Å; D140-L143 PolarHBondContact O-N 3.3Å; D140-L143 VanDerWaalsContact O-N 3.12Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.27Å; L143-Q145 VanDerWaalsContact C-N 3.35Å |
| 144 | I | 80.7 | Confident | 80.1 | Confident | 18 Ų | 18 | 86 Ų | 86 | 9% | 0.092 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -89.9 | -3.2 | 177.4 | -64.7 | -171.8 | 0 | 0 | 0 | 111.6 | Q113 F134 V139 D140 L141 F146 F153 | Q113-I144 HydrophobicContact CG-CG2 3.68Å; Q113-I144 PolarHBondContact NE2-O 3.44Å; F134-I144 HydrophobicContact CD1-CD1 4.05Å; F134-I144 HydrophobicContact CE1-CD1 3.66Å; F134-I144 HydrophobicContact CZ-CD1 4.31Å; F134-I144 HydrophobicContact CZ-CG2 4.29Å; V139-I144 HydrophobicContact CB-CD1 4.32Å; V139-I144 HydrophobicContact CG1-CD1 3.33Å; V139-I144 HydrophobicContact CG1-CG1 3.76Å; D140-I144 PolarHBondContact O-N 2.83Å; L141-I144 PolarHBondContact O-N 3.13Å; I144-F146 VanDerWaalsContact C-N 3.27Å; I144-F146 PolarHBondContact O-N 3.07Å; I144-F153 HydrophobicContact CG2-CD1 3.77Å; I144-F153 HydrophobicContact CG2-CE1 3.44Å; I144-F153 VanDerWaalsContact CG2-CE1 3.44Å |
| 145 | Q | 80.6 | Confident | 78.9 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 42 | -175.6 | -54.2 | 177.8 | 14.7 | 0 | 0 | 112 | L109 L141 E142 L143 R154 | L109-Q145 HydrophobicContact CD1-CG 4.01Å; L141-Q145 PolarHBondContact O-N 3.3Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; E142-Q145 PolarHBondContact O-N 3.32Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-R154 HydrophobicContact CB-CB 4.19Å; Q145-R154 WeakPolarHBondContact O-CB 3.35Å; Q145-R154 WeakPolarHBondContact O-CG 3.47Å; Q145-R154 PolarHBondContact O-N 3.13Å |
| 146 | F | 77.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 93 Ų | 93 | 5% | 0.053 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.2 | 178.1 | -170.9 | -101.9 | 0 | 0 | 0 | 110.7 | L130 A131 F134 L141 I144 E148 D151 F153 | L130-F146 HydrophobicContact CB-CE2 4.26Å; L130-F146 HydrophobicContact CB-CZ 3.94Å; L130-F146 HydrophobicContact CD2-CD2 4.38Å; L130-F146 HydrophobicContact CD2-CE2 3.45Å; L130-F146 VanDerWaalsContact CD2-CE2 3.45Å; L130-F146 HydrophobicContact CD2-CZ 3.99Å; L130-F146 HydrophobicContact CG-CE2 3.75Å; L130-F146 HydrophobicContact CG-CZ 3.92Å; A131-F146 HydrophobicContact CB-CE1 3.88Å; F134-F146 HydrophobicContact CD2-CD2 4.34Å; F134-F146 HydrophobicContact CD2-CG 4.3Å; F134-F146 AromaticContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CD2 3.91Å; F134-F146 HydrophobicContact CE2-CE2 4.25Å; F134-F146 HydrophobicContact CE2-CG 4.27Å; L141-F146 HydrophobicContact CB-CB 4.45Å; L141-F146 HydrophobicContact CD2-CB 4.03Å; L141-F146 HydrophobicContact CD2-CD1 3.81Å; L141-F146 HydrophobicContact CD2-CG 4.17Å; L141-F146 PolarHBondContact O-N 2.77Å; I144-F146 VanDerWaalsContact C-N 3.27Å; I144-F146 PolarHBondContact O-N 3.07Å; F146-E148 HydrophobicContact CD1-CG 4.25Å; F146-E148 HydrophobicContact CE1-CG 4.42Å; F146-D151 WeakPolarHBondContact CZ-OD1 3.34Å; F146-F153 HydrophobicContact CB-CD1 4.49Å; F146-F153 AromaticContact CD2-CD1 3.76Å; F146-F153 HydrophobicContact CD2-CD1 3.76Å; F146-F153 AromaticContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CZ 4.44Å; F146-F153 HydrophobicContact CE2-CE1 4.4Å |
| 147 | D | 80.2 | Confident | 78.2 | Confident | 32 Ų | 32 | 90.2 Ų | 90.2 | 17% | 0.171 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108 | 171.7 | -157.8 | -20.6 | 0 | 0 | 0 | 110.2 | A149 E150 D151 C152 R154 | D147-A149 PolarHBondContact O-N 3.39Å; D147-A149 WeakPolarHBondContact OD1-CB 3.43Å; D147-A149 PolarHBondContact OD1-N 3.1Å; D147-A149 VanDerWaalsContact OD1-N 3.13Å; D147-E150 HydrophobicContact CB-CB 4.5Å; D147-E150 PolarHBondContact O-N 3.33Å; D147-D151 WeakPolarHBondContact O-CA 3.5Å; D147-D151 PolarHBondContact O-N 2.94Å; D147-C152 PolarHBondContact N-O 3.23Å; D147-C152 PolarHBondContact O-N 3.49Å; D147-R154 HydrophobicContact CB-CG 4.04Å; D147-R154 IonicContact OD1-NH2 3.56Å; D147-R154 PolarHBondContact OD1-NH2 2.99Å; D147-R154 IonicContact OD2-CZ 3.2Å; D147-R154 VanDerWaalsContact OD2-CZ 3.24Å; D147-R154 IonicContact OD2-NE 2.7Å; D147-R154 IonicContact OD2-NH2 3.2Å; D147-R154 PolarHBondContact OD2-NH2 3.24Å |
| 148 | E | 77.4 | Confident | 77.8 | Confident | 108 Ų | 108 | 89.9 Ų | 89.9 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.9 | 177 | -67.3 | -165.7 | 142.1 | 0 | 0 | 112.8 | A131 R135 L141 F146 | A131-E148 HydrophobicContact CB-CG 4.31Å; R135-E148 IonicContact NE-OE1 3.48Å; R135-E148 IonicContact NH2-OE1 3.48Å; L141-E148 HydrophobicContact CD1-CG 3.98Å; L141-E148 WeakPolarHBondContact CD1-OE1 3.19Å; F146-E148 HydrophobicContact CD1-CG 4.25Å; F146-E148 HydrophobicContact CE1-CG 4.42Å |
| 149 | A | 74 | Confident | 77.3 | Confident | 83 Ų | 83 | 84.8 Ų | 84.8 | 69% | 0.686 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -38.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D147 | D147-A149 PolarHBondContact O-N 3.39Å; D147-A149 WeakPolarHBondContact OD1-CB 3.43Å; D147-A149 PolarHBondContact OD1-N 3.1Å; D147-A149 VanDerWaalsContact OD1-N 3.13Å |
| 150 | E | 71 | Confident | 76.8 | Confident | 140 Ų | 140 | 87.2 Ų | 87.2 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 0.5 | -175 | -60.3 | -63.4 | 148.9 | 0 | 0 | 112.7 | D147 C152 | D147-E150 HydrophobicContact CB-CB 4.5Å; D147-E150 PolarHBondContact O-N 3.33Å; E150-C152 WeakPolarHBondContact CB-SG 3.36Å; E150-C152 PolarHBondContact O-N 2.78Å; E150-C152 VanDerWaalsContact O-N 3.13Å |
| 151 | D | 75.4 | Confident | 76.3 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35 | -174.7 | -156.4 | 38.7 | 0 | 0 | 0 | 112.5 | F146 D147 | F146-D151 WeakPolarHBondContact CZ-OD1 3.34Å; D147-D151 WeakPolarHBondContact O-CA 3.5Å; D147-D151 PolarHBondContact O-N 2.94Å |
| 152 | C | 73.7 | Confident | 75.9 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161 | -174.3 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | D147 E150 | D147-C152 PolarHBondContact N-O 3.23Å; D147-C152 PolarHBondContact O-N 3.49Å; E150-C152 WeakPolarHBondContact CB-SG 3.36Å; E150-C152 PolarHBondContact O-N 2.78Å; E150-C152 VanDerWaalsContact O-N 3.13Å |
| 153 | F | 76.7 | Confident | 75.5 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133.7 | 173.6 | -59.4 | -65.4 | 0 | 0 | 0 | 110.2 | Q113 L130 F134 I144 F146 S155 | Q113-F153 HydrophobicContact CB-CD1 4.24Å; Q113-F153 HydrophobicContact CB-CD2 3.97Å; Q113-F153 HydrophobicContact CB-CE1 4.11Å; Q113-F153 HydrophobicContact CB-CE2 3.8Å; Q113-F153 HydrophobicContact CB-CG 4.19Å; Q113-F153 HydrophobicContact CB-CZ 3.88Å; Q113-F153 HydrophobicContact CG-CD1 3.54Å; Q113-F153 HydrophobicContact CG-CD2 4.1Å; Q113-F153 HydrophobicContact CG-CE1 3.66Å; Q113-F153 HydrophobicContact CG-CE2 4.19Å; Q113-F153 HydrophobicContact CG-CG 3.79Å; Q113-F153 HydrophobicContact CG-CZ 3.98Å; L130-F153 HydrophobicContact CD2-CZ 4.28Å; F134-F153 AromaticContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CE1 3.83Å; F134-F153 HydrophobicContact CE2-CZ 4.06Å; F134-F153 AromaticContact CZ-CE1 3.75Å; F134-F153 HydrophobicContact CZ-CE1 3.75Å; F134-F153 AromaticContact CZ-CZ 3.82Å; F134-F153 HydrophobicContact CZ-CZ 3.82Å; I144-F153 HydrophobicContact CG2-CD1 3.77Å; I144-F153 HydrophobicContact CG2-CE1 3.44Å; I144-F153 VanDerWaalsContact CG2-CE1 3.44Å; F146-F153 HydrophobicContact CB-CD1 4.49Å; F146-F153 AromaticContact CD2-CD1 3.76Å; F146-F153 HydrophobicContact CD2-CD1 3.76Å; F146-F153 AromaticContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CE1 3.68Å; F146-F153 HydrophobicContact CD2-CZ 4.44Å; F146-F153 HydrophobicContact CE2-CE1 4.4Å; F153-S155 PolarHBondContact O-N 2.97Å |
| 154 | R | 71.7 | Confident | 74.9 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | trans | -66.4 | 128.9 | 171.8 | -60.1 | 176.5 | 179 | -111.8 | -10.9 | 108.4 | Q145 D147 | Q145-R154 HydrophobicContact CB-CB 4.19Å; Q145-R154 WeakPolarHBondContact O-CB 3.35Å; Q145-R154 WeakPolarHBondContact O-CG 3.47Å; Q145-R154 PolarHBondContact O-N 3.13Å; D147-R154 HydrophobicContact CB-CG 4.04Å; D147-R154 IonicContact OD1-NH2 3.56Å; D147-R154 PolarHBondContact OD1-NH2 2.99Å; D147-R154 IonicContact OD2-CZ 3.2Å; D147-R154 VanDerWaalsContact OD2-CZ 3.24Å; D147-R154 IonicContact OD2-NE 2.7Å; D147-R154 IonicContact OD2-NH2 3.2Å; D147-R154 PolarHBondContact OD2-NH2 3.24Å | ||
| 155 | S | 60.2 | Low | 74.4 | Confident | 188 Ų | 188 | 86.5 Ų | 86.5 | 100% | 1.315 | 48% | 0.476 | S | S | * | . | trans | -84.5 | 0 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | F153 | F153-S155 PolarHBondContact O-N 2.97Š|
Retrieved 155 of 155 residues in 105.3 ms
(Link to these results)