| 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 | 40.1 | Very low | 42.8 | Very low | 236 Ų | 236 | 148.3 Ų | 148.3 | 100% | 1.163 | 83% | 0.828 | S | S | * | * | 0 | 115.2 | 0 | -84.2 | 162.9 | 155 | 0 | 0 | 106.3 | |||||
| 2 | T | 42.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | cis | -173.7 | 131.4 | 5.5 | -17 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 3 | E | 45.2 | Very low | 43.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -61.1 | 159.4 | 152.7 | -91.6 | 178 | 86.3 | 0 | 0 | 108.8 | ||||
| 4 | P | 54.2 | Low | 43.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | -136.8 | 144.8 | 113.4 | 30.4 | -14.8 | 0 | 0 | 0 | 115.7 | |||||
| 5 | R | 40.7 | Very low | 43.4 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -42.4 | 134.4 | 166.7 | -70.4 | 164.3 | 168.6 | 172.8 | -5.2 | 117.4 | ||||
| 6 | N | 46.2 | Very low | 43.3 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | 23.7 | 140.1 | 127.7 | -141.1 | 16.7 | 0 | 0 | 0 | 120.8 | |||||
| 7 | P | 46 | Very low | 43.2 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -145.7 | 165.9 | 88.1 | 37 | -19.7 | 0 | 0 | 0 | 112.2 | |||||
| 8 | G | 34.3 | Very low | 43.1 | Very low | 56 Ų | 56 | 139.2 Ų | 139.2 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | cis | 154.8 | 139.8 | 12.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 9 | M | 38 | Very low | 43 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | trans | 72.5 | 127.8 | 164.3 | -50.8 | 178.7 | 85.3 | 0 | 0 | 116.9 | ||||
| 10 | S | 37.9 | Very low | 43 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -164.6 | 127.9 | 47 | 30.6 | 0 | 0 | 0 | 0 | 110.4 | V12 | S10-V12 PolarHBondContact O-N 3.32Š| ||
| 11 | S | 45.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 106.7 | 169.2 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | V | 51.8 | Low | 43.1 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 121.5 | 167.3 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | S10 Q14 | S10-V12 PolarHBondContact O-N 3.32Å; V12-Q14 PolarHBondContact O-N 3.09Å | ||
| 13 | P | 42 | Very low | 43.2 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 110.9 | 168.9 | 28.4 | -28 | 0 | 0 | 0 | 108 | S15 | P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 2.92Å | ||
| 14 | Q | 41.5 | Very low | 43.3 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -67.4 | 98.4 | 164.2 | -81.8 | -179 | -22.9 | 0 | 0 | 107.8 | V12 N16 | V12-Q14 PolarHBondContact O-N 3.09Å; Q14-N16 PolarHBondContact O-N 2.88Å | ||
| 15 | S | 45 | Very low | 42.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 100.7 | 164.5 | 40 | 0 | 0 | 0 | 0 | 107.6 | P13 P17 | P13-S15 VanDerWaalsContact C-N 3.35Å; P13-S15 PolarHBondContact O-N 2.92Å; S15-P17 WeakPolarHBondContact O-CD 3.31Å | ||
| 16 | N | 41.5 | Very low | 43.4 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 122 | 162.5 | -111.4 | 5.2 | 0 | 0 | 0 | 107.1 | Q14 S18 | Q14-N16 PolarHBondContact O-N 2.88Å; N16-S18 PolarHBondContact O-N 3.05Å | ||
| 17 | P | 42.8 | Very low | 43.8 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | trans | -65.6 | 115.1 | 167.9 | 27.2 | -28.7 | 0 | 0 | 0 | 106.6 | S15 H19 | S15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 3.28Å | ||
| 18 | S | 41.3 | Very low | 44.2 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -60.8 | 93.5 | 165.4 | 54.5 | 0 | 0 | 0 | 0 | 107.6 | N16 T20 | N16-S18 PolarHBondContact O-N 3.05Å; S18-T20 PolarHBondContact O-N 3.31Å | ||
| 19 | H | 41 | Very low | 45.2 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -63.2 | 98.4 | 158.1 | -82.8 | -76.4 | 0 | 0 | 0 | 106.2 | P17 E21 | P17-H19 VanDerWaalsContact C-N 3.25Å; P17-H19 PolarHBondContact O-N 3.28Å; H19-E21 PolarHBondContact O-N 2.92Å | ||
| 20 | T | 42.4 | Very low | 46.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -62.7 | 85.8 | 160.2 | -51.8 | 0 | 0 | 0 | 0 | 105.9 | S18 S22 | S18-T20 PolarHBondContact O-N 3.31Å; T20-S22 PolarHBondContact O-N 3.47Å | ||
| 21 | E | 40.7 | Very low | 47 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -59.5 | 100.8 | 157.6 | -72.2 | -173.6 | 164.6 | 0 | 0 | 105.1 | H19 S23 | H19-E21 PolarHBondContact O-N 2.92Å; E21-S23 PolarHBondContact O-N 3.49Å | ||
| 22 | S | 44.8 | Very low | 47.7 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -63 | 85.7 | 159.2 | 38.3 | 0 | 0 | 0 | 0 | 105.3 | T20 S24 | T20-S22 PolarHBondContact O-N 3.47Å; S22-S24 PolarHBondContact O-N 3.48Å | ||
| 23 | S | 44.8 | Very low | 48.2 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -59 | 101.6 | 163.4 | 67.1 | 0 | 0 | 0 | 0 | 104.5 | E21 Q25 | E21-S23 PolarHBondContact O-N 3.49Å; S23-Q25 PolarHBondContact O-N 2.9Å | ||
| 24 | S | 47.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | -61.1 | 94.7 | 161.8 | 4.2 | 0 | 0 | 0 | 0 | 102.5 | S22 A26 | S22-S24 PolarHBondContact O-N 3.48Å; S24-A26 PolarHBondContact O-N 2.97Å | ||
| 25 | Q | 46 | Very low | 50.6 | Low | 167 Ų | 167 | 115.2 Ų | 115.2 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | trans | -54.8 | 102.5 | 171.6 | -77.1 | -178.3 | -25.7 | 0 | 0 | 104.7 | S23 V27 | S23-Q25 PolarHBondContact O-N 2.9Å; Q25-V27 PolarHBondContact O-N 2.82Å | ||
| 26 | A | 49.5 | Very low | 51.9 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | -61.7 | 98.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | S24 E28 | S24-A26 PolarHBondContact O-N 2.97Å; A26-E28 PolarHBondContact O-N 2.85Å | ||
| 27 | V | 55.5 | Low | 53.5 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | trans | -52.7 | 109.5 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 105.1 | Q25 M29 | Q25-V27 PolarHBondContact O-N 2.82Å; V27-M29 VanDerWaalsContact C-N 3.29Å; V27-M29 HydrophobicContact CG1-CG 4.33Å; V27-M29 PolarHBondContact O-N 3.04Å | ||
| 28 | E | 53.9 | Low | 55.1 | Low | 196 Ų | 196 | 115.1 Ų | 115.1 | 92% | 0.916 | 63% | 0.633 | S | S | * | * | trans | -71.8 | 94.9 | 176.2 | -165.7 | 172.5 | -172.1 | 0 | 0 | 105.5 | A26 | A26-E28 PolarHBondContact O-N 2.85Š| ||
| 29 | M | 55.8 | Low | 56.5 | Low | 100 Ų | 100 | 116 Ų | 116 | 49% | 0.493 | 62% | 0.62 | S | S | . | * | trans | -76.2 | 126 | -168.9 | -71.6 | 165.5 | 60.6 | 0 | 0 | 111.1 | V27 P31 L120 | V27-M29 VanDerWaalsContact C-N 3.29Å; V27-M29 HydrophobicContact CG1-CG 4.33Å; V27-M29 PolarHBondContact O-N 3.04Å; M29-P31 WeakPolarHBondContact O-CD 3.39Å; M29-L120 HydrophobicContact CE-CD1 3.7Å | ||
| 30 | D | 56.3 | Low | 57.7 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | trans | -73.8 | 118.2 | 168.1 | -166.3 | -19.7 | 0 | 0 | 0 | 109.5 | V32 E33 | D30-V32 PolarHBondContact O-N 3.23Å; D30-V32 VanDerWaalsContact O-N 3.08Å; D30-V32 WeakPolarHBondContact OD1-CB 3.34Å; D30-V32 VanDerWaalsContact OD1-CG2 3.24Å; D30-V32 WeakPolarHBondContact OD1-CG2 3.42Å; D30-V32 PolarHBondContact OD1-N 2.9Å; D30-E33 PolarHBondContact O-N 3.41Å | ||
| 31 | P | 58.1 | Low | 59.2 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 71% | 0.714 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -5.8 | 175.7 | 24.8 | -32.8 | 0 | 0 | 0 | 114.5 | M29 | M29-P31 WeakPolarHBondContact O-CD 3.39Š|
| 32 | V | 60.1 | Low | 60.5 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -21.2 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | D30 | D30-V32 PolarHBondContact O-N 3.23Å; D30-V32 VanDerWaalsContact O-N 3.08Å; D30-V32 WeakPolarHBondContact OD1-CB 3.34Å; D30-V32 VanDerWaalsContact OD1-CG2 3.24Å; D30-V32 WeakPolarHBondContact OD1-CG2 3.42Å; D30-V32 PolarHBondContact OD1-N 2.9Å |
| 33 | E | 62.3 | Low | 61.1 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -97.8 | -12.9 | -173.9 | -69.7 | 177.7 | -178.2 | 0 | 0 | 114.9 | D30 E123 | D30-E33 PolarHBondContact O-N 3.41Å; E33-E123 PolarHBondContact O-N 2.78Å |
| 34 | Y | 62.2 | Low | 61.9 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 25% | 0.251 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133 | 128.2 | -173.3 | -72.1 | -96.3 | 0 | 0 | 0 | 113.4 | L120 E121 P122 | Y34-L120 HydrophobicContact CD1-CB 4.09Å; Y34-E121 WeakPolarHBondContact CA-O 3.29Å; Y34-P122 HydrophobicContact CE1-CB 4.33Å; Y34-P122 HydrophobicContact CE1-CG 3.97Å |
| 35 | T | 71.3 | Confident | 62.5 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 125 | 170.7 | -71.9 | 0 | 0 | 0 | 0 | 111.3 | E121 E123 | T35-E121 PolarHBondContact N-O 2.82Å; T35-E121 PolarHBondContact O-N 3.34Å; T35-E121 VanDerWaalsContact O-N 3.15Å; T35-E123 PolarHBondContact OG1-OE1 3.42Å |
| 36 | L | 71.6 | Confident | 63.8 | Low | 80 Ų | 80 | 115.2 Ų | 115.2 | 42% | 0.419 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 116.6 | 177.7 | -176.5 | 74.3 | 0 | 0 | 0 | 112.7 | K38 D118 L120 | L36-K38 HydrophobicContact CD2-CG 4.25Å; L36-K38 HydrophobicContact CG-CG 4.37Å; L36-D118 HydrophobicContact CD1-CB 3.63Å; L36-D118 HydrophobicContact CG-CB 4.47Å; L36-L120 HydrophobicContact CB-CD2 4.22Å; L36-L120 HydrophobicContact CD1-CD2 3.57Å; L36-L120 HydrophobicContact CD1-CG 4.27Å |
| 37 | R | 74.5 | Confident | 65.4 | Low | 138 Ų | 138 | 119 Ų | 119 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 107.2 | 171.2 | -70.9 | -168.6 | 175.4 | 179 | 0.9 | 112 | R39 D119 E121 | R37-R39 PolarHBondContact O-N 3.32Å; R37-D119 HydrophobicContact CB-CB 4.29Å; R37-D119 PolarHBondContact N-O 3.02Å; R37-D119 PolarHBondContact O-N 2.9Å; R37-E121 WeakPolarHBondContact CD-OE1 3.36Å; R37-E121 VanDerWaalsContact CZ-CD 3.47Å; R37-E121 IonicContact CZ-OE1 2.68Å; R37-E121 IonicContact CZ-OE2 3.56Å; R37-E121 IonicContact NE-OE1 2.65Å; R37-E121 IonicContact NE-OE2 3.37Å; R37-E121 PolarHBondContact NE-OE2 2.95Å; R37-E121 VanDerWaalsContact NE-OE2 3.1Å; R37-E121 VanDerWaalsContact NH1-CD 3.31Å; R37-E121 IonicContact NH1-OE1 3Å; R37-E121 PolarHBondContact NH1-OE1 2.82Å; R37-E121 IonicContact NH1-OE2 3.29Å; R37-E121 PolarHBondContact NH1-OE2 3.27Å; R37-E121 IonicContact NH2-OE2 2.82Å; R37-E121 PolarHBondContact NH2-OE2 2.87Å |
| 38 | K | 76.9 | Confident | 66.8 | Low | 134 Ų | 134 | 124.2 Ų | 124.2 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.4 | -179.7 | -62 | 176.9 | 178.7 | 179 | 0 | 111.1 | L36 D118 R136 | L36-K38 HydrophobicContact CD2-CG 4.25Å; L36-K38 HydrophobicContact CG-CG 4.37Å; K38-D118 VanDerWaalsContact CA-OD1 3.29Å; K38-D118 WeakPolarHBondContact CA-OD1 3.34Å; K38-D118 WeakPolarHBondContact CB-OD1 3.28Å; K38-D118 WeakPolarHBondContact CG-OD1 3.4Å; K38-R136 VanDerWaalsContact CE-NH1 3.34Å |
| 39 | R | 70.7 | Confident | 68.5 | Low | 124 Ų | 124 | 115.8 Ų | 115.8 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -74 | 153.8 | 172.2 | -55.9 | 179.7 | 161.2 | 163 | 5.2 | 110.4 | R37 I117 D119 | R37-R39 PolarHBondContact O-N 3.32Å; R39-I117 WeakPolarHBondContact CB-O 3.46Å; R39-I117 WeakPolarHBondContact CG-O 3.29Å; R39-I117 PolarHBondContact N-O 3.01Å; R39-D119 IonicContact CZ-OD1 2.83Å; R39-D119 IonicContact CZ-OD2 2.78Å; R39-D119 IonicContact NE-OD1 2.79Å; R39-D119 PolarHBondContact NE-OD1 3.46Å; R39-D119 IonicContact NE-OD2 3.06Å; R39-D119 PolarHBondContact NE-OD2 2.76Å; R39-D119 IonicContact NH1-OD1 3.53Å; R39-D119 IonicContact NH2-OD1 2.79Å; R39-D119 PolarHBondContact NH2-OD1 2.88Å; R39-D119 IonicContact NH2-OD2 2.94Å; R39-D119 PolarHBondContact NH2-OD2 2.72Å |
| 40 | L | 66.8 | Low | 70.2 | Confident | 138 Ų | 138 | 112.2 Ų | 112.2 | 72% | 0.723 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 141.6 | 167.7 | -93.7 | 70.2 | 0 | 0 | 0 | 109.2 | R42 | L40-R42 PolarHBondContact O-N 3.2Š|
| 41 | P | 74.6 | Confident | 72 | Confident | 50 Ų | 50 | 108.4 Ų | 108.4 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 142.7 | 170.4 | -16.9 | 22.6 | 0 | 0 | 0 | 110.6 | K43 L83 V114 L116 | P41-K43 PolarHBondContact O-N 3.4Å; P41-K43 VanDerWaalsContact O-N 3.14Å; P41-L83 HydrophobicContact CG-CD2 3.75Å; P41-V114 HydrophobicContact CB-CG1 4.34Å; P41-L116 HydrophobicContact CB-CD2 3.47Å; P41-L116 VanDerWaalsContact CB-CD2 3.47Å; P41-L116 HydrophobicContact CG-CD2 3.47Å; P41-L116 VanDerWaalsContact CG-CD2 3.47Å |
| 42 | R | 66.8 | Low | 73.7 | Confident | 217 Ų | 217 | 107.5 Ų | 107.5 | 82% | 0.819 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 122.3 | 172.5 | -69.5 | -174.6 | 174.7 | -150.2 | -0 | 108.4 | L40 L44 | L40-R42 PolarHBondContact O-N 3.2Å; R42-L44 PolarHBondContact O-N 3Å |
| 43 | K | 57.6 | Low | 75.3 | Confident | 155 Ų | 155 | 103.4 Ų | 103.4 | 67% | 0.674 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 120.7 | -173 | -69.8 | 176.3 | -176.9 | 167.2 | 0 | 109.2 | P41 | P41-K43 PolarHBondContact O-N 3.4Å; P41-K43 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 61.3 | Low | 76.8 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 57% | 0.571 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 156.9 | 160.4 | -65.2 | 173.2 | 0 | 0 | 0 | 109.6 | R42 K46 | R42-L44 PolarHBondContact O-N 3Å; L44-K46 PolarHBondContact O-N 3.46Å |
| 45 | P | 61.7 | Low | 78.3 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 76% | 0.76 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -55 | 116.6 | 174.8 | -20.3 | 30.4 | 0 | 0 | 0 | 109.8 | R47 | P45-R47 PolarHBondContact O-N 3.16Š|
| 46 | K | 73 | Confident | 79.3 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | trans | -78.7 | 110.7 | -178.7 | -69.6 | -171 | 175.5 | -173.1 | 0 | 109.6 | L44 Y52 | L44-K46 PolarHBondContact O-N 3.46Å; K46-Y52 HydrophobicContact CD-CE2 4.37Å; K46-Y52 HydrophobicContact CG-CE2 4.13Å | ||
| 47 | R | 83.1 | Confident | 80.3 | Confident | 173 Ų | 173 | 109.5 Ų | 109.5 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | trans | -72.3 | 156.3 | 164.7 | -55.8 | 179.5 | 176.1 | -169.9 | -1 | 108.7 | P45 N49 D50 | P45-R47 PolarHBondContact O-N 3.16Å; R47-N49 WeakPolarHBondContact CB-OD1 3.48Å; R47-N49 PolarHBondContact O-N 3.01Å; R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 PolarHBondContact N-OD2 2.9Å; R47-D50 PolarHBondContact O-N 3.24Å | ||
| 48 | R | 84 | Confident | 81.4 | Confident | 227 Ų | 227 | 107.3 Ų | 107.3 | 86% | 0.857 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22 | 180 | -69.4 | -176.6 | 176.6 | -179.9 | -0.8 | 112.6 | ||
| 49 | N | 90.3 | Very high | 82.3 | Confident | 19 Ų | 19 | 103.2 Ų | 103.2 | 10% | 0.102 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 7.1 | -180 | 66.6 | -37.9 | 0 | 0 | 0 | 114.5 | R47 H75 E77 I78 C79 | R47-N49 WeakPolarHBondContact CB-OD1 3.48Å; R47-N49 PolarHBondContact O-N 3.01Å; N49-H75 HydrophobicContact CB-CB 4.3Å; N49-E77 WeakPolarHBondContact CB-O 3.47Å; N49-E77 PolarHBondContact ND2-O 3.05Å; N49-I78 HydrophobicContact CB-CG2 4.41Å; N49-I78 WeakPolarHBondContact O-CA 3.28Å; N49-C79 PolarHBondContact O-N 3.42Å |
| 50 | D | 92.1 | Very high | 83.5 | Confident | 26 Ų | 26 | 106.8 Ų | 106.8 | 14% | 0.139 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.8 | 176.1 | -64.4 | -26.1 | 0 | 0 | 0 | 111.5 | R47 Y52 H81 | R47-D50 WeakPolarHBondContact CB-OD2 3.46Å; R47-D50 PolarHBondContact N-OD2 2.9Å; R47-D50 PolarHBondContact O-N 3.24Å; D50-Y52 HydrophobicContact CB-CE2 4.13Å; D50-H81 IonicContact OD1-NE2 2.79Å; D50-H81 PolarHBondContact OD1-NE2 2.83Å |
| 51 | V | 92.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 102.7 Ų | 102.7 | 2% | 0.024 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.6 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 110 | L69 C79 H81 | V51-L69 HydrophobicContact CG2-CD1 3.5Å; V51-L69 VanDerWaalsContact CG2-CD1 3.5Å; V51-C79 PolarHBondContact N-O 3.43Å; V51-H81 PolarHBondContact O-N 3.27Å |
| 52 | Y | 93.9 | Very high | 85.9 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.5 | 174.3 | -65.8 | -89.1 | 0 | 0 | 0 | 110.7 | K46 D50 H81 | K46-Y52 HydrophobicContact CD-CE2 4.37Å; K46-Y52 HydrophobicContact CG-CE2 4.13Å; D50-Y52 HydrophobicContact CB-CE2 4.13Å; Y52-H81 HydrophobicContact CD1-CB 3.78Å; Y52-H81 HydrophobicContact CE1-CB 3.94Å; Y52-H81 HydrophobicContact CG-CB 4.48Å |
| 53 | V | 94.7 | Very high | 87.4 | Confident | 13 Ų | 13 | 92.2 Ų | 92.2 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | trans | -86.6 | 132.3 | -179.2 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V80 H81 A86 R89 A90 I93 | V53-V80 HydrophobicContact CG2-CG1 3.49Å; V53-V80 VanDerWaalsContact CG2-CG1 3.49Å; V53-H81 PolarHBondContact N-O 2.72Å; V53-A86 HydrophobicContact CG1-CB 4.48Å; V53-A86 WeakPolarHBondContact O-CB 3.48Å; V53-R89 HydrophobicContact CG1-CB 3.97Å; V53-R89 HydrophobicContact CG1-CG 3.66Å; V53-A90 HydrophobicContact CB-CB 4.34Å; V53-A90 HydrophobicContact CG2-CB 4.08Å; V53-I93 HydrophobicContact CG1-CD1 4.11Å; V53-I93 HydrophobicContact CG2-CD1 3.85Å | ||
| 54 | N | 92.2 | Very high | 89.2 | Confident | 72 Ų | 72 | 87.7 Ų | 87.7 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | trans | -121.3 | 164 | 169.8 | 73.8 | 33.9 | 0 | 0 | 0 | 110.5 | K56 T57 Q62 R89 | N54-K56 PolarHBondContact OD1-N 3.46Å; N54-T57 VanDerWaalsContact CG-OG1 3.25Å; N54-T57 PolarHBondContact ND2-OG1 2.82Å; N54-T57 VanDerWaalsContact ND2-OG1 3.1Å; N54-T57 VanDerWaalsContact OD1-CB 3.29Å; N54-T57 WeakPolarHBondContact OD1-CB 3.46Å; N54-T57 PolarHBondContact OD1-N 3.4Å; N54-T57 PolarHBondContact OD1-OG1 2.91Å; N54-Q62 PolarHBondContact O-NE2 2.89Å; N54-Q62 PolarHBondContact OD1-NE2 2.65Å; N54-R89 PolarHBondContact O-NE 3.44Å; N54-R89 PolarHBondContact O-NH1 3.46Å | ||
| 55 | M | 93.8 | Very high | 90.7 | Very high | 95 Ų | 95 | 89.3 Ų | 89.3 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -84 | -19.4 | 178.7 | -77.4 | -64.8 | 165.7 | 0 | 0 | 114.7 | L85 A86 R89 | M55-L85 WeakPolarHBondContact CE-O 3.36Å; M55-A86 HydrophobicContact CE-CB 4.49Å; M55-R89 HydrophobicContact CE-CB 3.4Å; M55-R89 HydrophobicContact CE-CG 4.29Å; M55-R89 PolarHBondContact O-NH1 3.02Å; M55-R89 HydrophobicContact SD-CB 4.33Å |
| 56 | K | 92.9 | Very high | 92.3 | Very high | 206 Ų | 206 | 83.8 Ų | 83.8 | 90% | 0.896 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -80.6 | -32.2 | -173.2 | -65.1 | -175.7 | 178.7 | -174.1 | 0 | 113.8 | N54 | N54-K56 PolarHBondContact OD1-N 3.46Š|
| 57 | T | 93.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -70.4 | 156.3 | 179.1 | -45.5 | 0 | 0 | 0 | 0 | 109 | N54 A61 Q62 R89 | N54-T57 VanDerWaalsContact CG-OG1 3.25Å; N54-T57 PolarHBondContact ND2-OG1 2.82Å; N54-T57 VanDerWaalsContact ND2-OG1 3.1Å; N54-T57 VanDerWaalsContact OD1-CB 3.29Å; N54-T57 WeakPolarHBondContact OD1-CB 3.46Å; N54-T57 PolarHBondContact OD1-N 3.4Å; N54-T57 PolarHBondContact OD1-OG1 2.91Å; T57-A61 HydrophobicContact CG2-CB 4.45Å; T57-Q62 HydrophobicContact CG2-CG 3.9Å; T57-R89 PolarHBondContact O-NH1 3.12Å; T57-R89 PolarHBondContact O-NH2 3.17Å |
| 58 | D | 96.4 | Very high | 93.7 | Very high | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | trans | -62.9 | 145 | 169.1 | 173.3 | 60.5 | 0 | 0 | 0 | 111.8 | R60 A61 Q62 R89 | D58-R60 WeakPolarHBondContact OD2-CA 3.43Å; D58-R60 VanDerWaalsContact OD2-CB 3.31Å; D58-R60 WeakPolarHBondContact OD2-CB 3.47Å; D58-R60 PolarHBondContact OD2-N 3.16Å; D58-A61 HydrophobicContact CB-CB 4.03Å; D58-A61 PolarHBondContact OD2-N 3.19Å; D58-Q62 PolarHBondContact O-N 3.1Å; D58-R89 PolarHBondContact O-NH2 2.63Å | ||
| 59 | F | 96.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -48 | -178 | 177.7 | -92 | 0 | 0 | 0 | 111.9 | A61 Q62 L63 R89 N92 I93 | F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.28Å; F59-Q62 PolarHBondContact O-N 3.1Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 PolarHBondContact O-N 2.84Å; F59-R89 VanDerWaalsContact CA-NH2 3.26Å; F59-R89 HydrophobicContact CD2-CG 4.08Å; F59-R89 HydrophobicContact CE2-CG 4.33Å; F59-N92 HydrophobicContact CE2-CB 4.13Å; F59-N92 HydrophobicContact CZ-CB 4.39Å; F59-I93 HydrophobicContact CD2-CG1 4.42Å; F59-I93 HydrophobicContact CE2-CG1 3.67Å; F59-I93 HydrophobicContact CZ-CG1 4.07Å |
| 60 | R | 96.4 | Very high | 94.1 | Very high | 200 Ų | 200 | 69.7 Ų | 69.7 | 76% | 0.755 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | -177.9 | -61.7 | -179.9 | 175 | -138 | -0.6 | 110.8 | D58 Q62 L63 A64 | D58-R60 WeakPolarHBondContact OD2-CA 3.43Å; D58-R60 VanDerWaalsContact OD2-CB 3.31Å; D58-R60 WeakPolarHBondContact OD2-CB 3.47Å; D58-R60 PolarHBondContact OD2-N 3.16Å; R60-Q62 PolarHBondContact O-N 3.01Å; R60-L63 PolarHBondContact O-N 2.98Å; R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.98Å |
| 61 | A | 96.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T57 D58 F59 R65 | T57-A61 HydrophobicContact CG2-CB 4.45Å; D58-A61 HydrophobicContact CB-CB 4.03Å; D58-A61 PolarHBondContact OD2-N 3.19Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.28Å; A61-R65 WeakPolarHBondContact O-CB 3.29Å; A61-R65 PolarHBondContact O-N 3.24Å |
| 62 | Q | 95.9 | Very high | 93 | Very high | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 176 | -78.6 | 179.8 | -11.3 | 0 | 0 | 112.3 | N54 T57 D58 F59 R60 R65 C66 I93 | N54-Q62 PolarHBondContact O-NE2 2.89Å; N54-Q62 PolarHBondContact OD1-NE2 2.65Å; T57-Q62 HydrophobicContact CG2-CG 3.9Å; D58-Q62 PolarHBondContact O-N 3.1Å; F59-Q62 PolarHBondContact O-N 3.1Å; R60-Q62 PolarHBondContact O-N 3.01Å; Q62-R65 WeakPolarHBondContact O-CB 3.35Å; Q62-R65 PolarHBondContact O-N 3.34Å; Q62-C66 PolarHBondContact O-N 2.99Å; Q62-C66 PolarHBondContact O-SG 3.46Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å; Q62-I93 HydrophobicContact CB-CD1 3.94Å |
| 63 | L | 97 | Very high | 91.6 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 18% | 0.183 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 175.8 | 179.9 | 64.4 | 0 | 0 | 0 | 111.4 | F59 R60 R65 C66 Q67 I93 Q96 L97 | F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 PolarHBondContact O-N 2.84Å; R60-L63 PolarHBondContact O-N 2.98Å; L63-R65 VanDerWaalsContact C-N 3.25Å; L63-R65 PolarHBondContact O-N 3.09Å; L63-C66 WeakPolarHBondContact O-CB 3.3Å; L63-C66 PolarHBondContact O-N 3.39Å; L63-C66 VanDerWaalsContact O-N 3.1Å; L63-Q67 PolarHBondContact O-N 3.36Å; L63-I93 HydrophobicContact CD1-CG2 4.24Å; L63-Q96 HydrophobicContact CD1-CB 4Å; L63-Q96 HydrophobicContact CD2-CB 4.19Å; L63-Q96 VanDerWaalsContact CD2-OE1 3.28Å; L63-L97 HydrophobicContact CD1-CD2 3.73Å; L63-L97 HydrophobicContact CD1-CG 3.81Å |
| 64 | A | 95.1 | Very high | 90.4 | Very high | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R60 Q67 K68 | R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.98Å; A64-Q67 PolarHBondContact O-N 3.05Å; A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.05Å |
| 65 | R | 93.4 | Very high | 90 | Very high | 143 Ų | 143 | 76.3 Ų | 76.3 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.7 | -176.5 | 178.8 | -173.8 | -109.2 | -3.9 | 111.9 | A61 Q62 L63 K68 L69 | A61-R65 WeakPolarHBondContact O-CB 3.29Å; A61-R65 PolarHBondContact O-N 3.24Å; Q62-R65 WeakPolarHBondContact O-CB 3.35Å; Q62-R65 PolarHBondContact O-N 3.34Å; L63-R65 VanDerWaalsContact C-N 3.25Å; L63-R65 PolarHBondContact O-N 3.09Å; R65-K68 PolarHBondContact O-N 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.23Å; R65-L69 PolarHBondContact O-N 2.97Å |
| 66 | C | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 176 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | Q62 L63 K68 L69 L70 I78 I93 L97 | Q62-C66 PolarHBondContact O-N 2.99Å; Q62-C66 PolarHBondContact O-SG 3.46Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å; L63-C66 WeakPolarHBondContact O-CB 3.3Å; L63-C66 PolarHBondContact O-N 3.39Å; L63-C66 VanDerWaalsContact O-N 3.1Å; C66-K68 PolarHBondContact O-N 3.43Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 3.44Å; C66-L69 VanDerWaalsContact O-N 3.16Å; C66-L70 PolarHBondContact O-N 3.38Å; C66-I78 HydrophobicContact CB-CD1 3.79Å; C66-I93 HydrophobicContact CB-CG2 4.26Å; C66-L97 HydrophobicContact CB-CD1 3.73Å; C66-L97 HydrophobicContact CB-CD2 4.17Å; C66-L97 HydrophobicContact CB-CG 4.5Å |
| 67 | Q | 93.9 | Very high | 89.9 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 20% | 0.201 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 178.4 | -170 | 60.4 | 51.9 | 0 | 0 | 111.3 | L63 A64 L69 L70 D71 L97 | L63-Q67 PolarHBondContact O-N 3.36Å; A64-Q67 PolarHBondContact O-N 3.05Å; Q67-L69 PolarHBondContact O-N 3.5Å; Q67-L70 PolarHBondContact O-N 3.16Å; Q67-D71 VanDerWaalsContact CG-OD2 3.28Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.43Å; Q67-D71 PolarHBondContact NE2-OD1 2.86Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 PolarHBondContact O-N 3.39Å; Q67-L97 HydrophobicContact CB-CD2 4.1Å |
| 68 | K | 92.6 | Very high | 90 | Very high | 164 Ų | 164 | 69.1 Ų | 69.1 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.7 | -33.1 | 176.5 | -176.1 | 175.3 | 179.6 | 176.6 | 0 | 113.3 | A64 R65 C66 L70 G72 | A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.05Å; R65-K68 PolarHBondContact O-N 3.29Å; C66-K68 PolarHBondContact O-N 3.43Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-G72 WeakPolarHBondContact O-CA 3.37Å; K68-G72 PolarHBondContact O-N 3.29Å |
| 69 | L | 92.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -31.6 | 176.8 | -74.3 | 168.8 | 0 | 0 | 0 | 112.4 | V51 R65 C66 Q67 I78 | V51-L69 HydrophobicContact CG2-CD1 3.5Å; V51-L69 VanDerWaalsContact CG2-CD1 3.5Å; R65-L69 WeakPolarHBondContact O-CG 3.23Å; R65-L69 PolarHBondContact O-N 2.97Å; C66-L69 WeakPolarHBondContact O-CB 3.48Å; C66-L69 PolarHBondContact O-N 3.44Å; C66-L69 VanDerWaalsContact O-N 3.16Å; Q67-L69 PolarHBondContact O-N 3.5Å; L69-I78 HydrophobicContact CB-CG2 3.86Å |
| 70 | L | 91.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78.6 | -47.2 | 175.2 | -69.5 | 164.6 | 0 | 0 | 0 | 111.3 | C66 Q67 K68 I78 L97 L105 V145 Y147 | C66-L70 PolarHBondContact O-N 3.38Å; Q67-L70 PolarHBondContact O-N 3.16Å; K68-L70 VanDerWaalsContact C-N 3.32Å; L70-I78 HydrophobicContact CD1-CD1 3.99Å; L70-I78 HydrophobicContact CD1-CG1 4.35Å; L70-I78 HydrophobicContact CD2-CG1 4.16Å; L70-I78 HydrophobicContact CD2-CG2 4.06Å; L70-I78 HydrophobicContact CG-CD1 4.1Å; L70-I78 HydrophobicContact CG-CG1 4.25Å; L70-I78 HydrophobicContact CG-CG2 4.19Å; L70-L97 HydrophobicContact CD1-CD1 4.35Å; L70-L97 HydrophobicContact CD1-CD2 4.34Å; L70-L105 HydrophobicContact CD1-CD1 3.89Å; L70-L105 HydrophobicContact CD1-CD2 4.49Å; L70-L105 HydrophobicContact CD2-CD2 4.37Å; L70-V145 HydrophobicContact CD1-CG1 4.22Å; L70-Y147 HydrophobicContact CD2-CE2 4.26Å |
| 71 | D | 86.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 55 Ų | 55 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.8 | -27.4 | -174.9 | -64.4 | -16.5 | 0 | 0 | 0 | 113.5 | Q67 G73 | Q67-D71 VanDerWaalsContact CG-OD2 3.28Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.43Å; Q67-D71 PolarHBondContact NE2-OD1 2.86Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 PolarHBondContact O-N 3.39Å; D71-G73 PolarHBondContact O-N 2.94Å |
| 72 | G | 74.6 | Confident | 89.9 | Confident | 61 Ų | 61 | 52.8 Ų | 52.8 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 11 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K68 G74 | K68-G72 WeakPolarHBondContact O-CA 3.37Å; K68-G72 PolarHBondContact O-N 3.29Å; G72-G74 PolarHBondContact O-N 2.97Å; G72-G74 VanDerWaalsContact O-N 3.09Å |
| 73 | G | 63.2 | Low | 89.8 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 77% | 0.773 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 70.1 | 0.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D71 | D71-G73 PolarHBondContact O-N 2.94Š|
| 74 | G | 69.9 | Low | 89.7 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -85.1 | -28.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G72 | G72-G74 PolarHBondContact O-N 2.97Å; G72-G74 VanDerWaalsContact O-N 3.09Å |
| 75 | H | 84.8 | Confident | 89.7 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.269 | 33% | 0.33 | S | S | . | . | trans | -147.2 | 127.4 | -171.9 | -59.8 | -57.9 | 0 | 0 | 0 | 112.2 | N49 E77 | N49-H75 HydrophobicContact CB-CB 4.3Å; H75-E77 WeakPolarHBondContact CB-O 3.37Å; H75-E77 PolarHBondContact O-N 3.2Å | ||
| 76 | R | 90.4 | Very high | 89.8 | Confident | 138 Ų | 138 | 52.3 Ų | 52.3 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -76.7 | -9.2 | 169.6 | -68.6 | -172.1 | 68.3 | -163.1 | -8 | 113.2 | F146 Y147 D149 | R76-F146 WeakPolarHBondContact O-CA 3.17Å; R76-Y147 PolarHBondContact O-N 3.21Å; R76-Y147 VanDerWaalsContact O-N 3.09Å; R76-D149 IonicContact CZ-OD1 3.28Å; R76-D149 VanDerWaalsContact CZ-OD1 3.28Å; R76-D149 IonicContact NH1-OD1 2.86Å; R76-D149 PolarHBondContact NH1-OD1 2.78Å; R76-D149 IonicContact NH2-OD1 2.85Å; R76-D149 PolarHBondContact NH2-OD1 2.98Å |
| 77 | E | 93.1 | Very high | 90 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.6 | -179 | 61.9 | 178.7 | -125.2 | 0 | 0 | 112 | N49 H75 K144 V145 F146 | N49-E77 WeakPolarHBondContact CB-O 3.47Å; N49-E77 PolarHBondContact ND2-O 3.05Å; H75-E77 WeakPolarHBondContact CB-O 3.37Å; H75-E77 PolarHBondContact O-N 3.2Å; E77-K144 WeakPolarHBondContact OE1-CE 3.21Å; E77-K144 IonicContact OE1-NZ 3.59Å; E77-K144 WeakPolarHBondContact OE2-CE 3.36Å; E77-K144 IonicContact OE2-NZ 3.39Å; E77-K144 PolarHBondContact OE2-NZ 2.93Å; E77-V145 CarbonylContact C-O 3.58Å; E77-V145 WeakPolarHBondContact CA-O 3.4Å; E77-F146 HydrophobicContact CB-CB 3.6Å |
| 78 | I | 95.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.8 | 169.5 | 64.4 | 171.3 | 0 | 0 | 0 | 110.2 | N49 C66 L69 L70 V80 L97 K144 V145 | N49-I78 HydrophobicContact CB-CG2 4.41Å; N49-I78 WeakPolarHBondContact O-CA 3.28Å; C66-I78 HydrophobicContact CB-CD1 3.79Å; L69-I78 HydrophobicContact CB-CG2 3.86Å; L70-I78 HydrophobicContact CD1-CD1 3.99Å; L70-I78 HydrophobicContact CD1-CG1 4.35Å; L70-I78 HydrophobicContact CD2-CG1 4.16Å; L70-I78 HydrophobicContact CD2-CG2 4.06Å; L70-I78 HydrophobicContact CG-CD1 4.1Å; L70-I78 HydrophobicContact CG-CG1 4.25Å; L70-I78 HydrophobicContact CG-CG2 4.19Å; I78-V80 HydrophobicContact CD1-CG2 4.16Å; I78-V80 HydrophobicContact CG1-CG2 4.46Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å; I78-K144 WeakPolarHBondContact O-CA 3.42Å; I78-V145 HydrophobicContact CG1-CB 3.85Å; I78-V145 HydrophobicContact CG1-CG2 4.29Å; I78-V145 PolarHBondContact N-O 3.07Å; I78-V145 PolarHBondContact O-N 2.86Å |
| 79 | C | 95.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.4 | 173.1 | -161.4 | 0 | 0 | 0 | 0 | 110 | N49 V51 H81 I143 | N49-C79 PolarHBondContact O-N 3.42Å; V51-C79 PolarHBondContact N-O 3.43Å; C79-H81 PolarHBondContact O-CD2 3.22Å; C79-H81 PolarHBondContact SG-CE1 3.29Å; C79-I143 WeakPolarHBondContact CA-O 3.38Å |
| 80 | V | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.5 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | V53 I78 A90 I143 V145 | V53-V80 HydrophobicContact CG2-CG1 3.49Å; V53-V80 VanDerWaalsContact CG2-CG1 3.49Å; I78-V80 HydrophobicContact CD1-CG2 4.16Å; I78-V80 HydrophobicContact CG1-CG2 4.46Å; V80-A90 HydrophobicContact CG1-CB 3.9Å; V80-I143 HydrophobicContact CB-CB 4.48Å; V80-I143 PolarHBondContact N-O 2.79Å; V80-I143 PolarHBondContact O-N 2.86Å; V80-V145 HydrophobicContact CG2-CG2 4.15Å |
| 81 | H | 96.2 | Very high | 91 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.9 | -179 | -53.1 | -85.8 | 0 | 0 | 0 | 110.9 | D50 V51 Y52 V53 C79 I141 H142 | D50-H81 IonicContact OD1-NE2 2.79Å; D50-H81 PolarHBondContact OD1-NE2 2.83Å; V51-H81 PolarHBondContact O-N 3.27Å; Y52-H81 HydrophobicContact CD1-CB 3.78Å; Y52-H81 HydrophobicContact CE1-CB 3.94Å; Y52-H81 HydrophobicContact CG-CB 4.48Å; V53-H81 PolarHBondContact N-O 2.72Å; C79-H81 PolarHBondContact O-CD2 3.22Å; C79-H81 PolarHBondContact SG-CE1 3.29Å; H81-I141 WeakPolarHBondContact CA-O 3.48Å; H81-H142 AromaticContact CE1-ND1 3.9Å; H81-H142 AromaticContact CG-ND1 3.82Å; H81-H142 AromaticContact ND1-CE1 3.63Å; H81-H142 AromaticContact ND1-CG 3.5Å; H81-H142 AromaticContact ND1-ND1 2.91Å; H81-H142 PolarHBondContact ND1-ND1 3.25Å |
| 82 | G | 95.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A140 I141 | G82-A140 CarbonylContact O-C 3.58Å; G82-A140 VanDerWaalsContact O-CA 3.24Å; G82-A140 WeakPolarHBondContact O-CA 3.49Å; G82-I141 PolarHBondContact N-O 2.84Å; G82-I141 PolarHBondContact O-N 2.93Å |
| 83 | L | 94.6 | Very high | 92.7 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.5 | 177.2 | -179.1 | 69.4 | 0 | 0 | 0 | 110 | P41 L85 A86 V114 L116 N138 A140 | P41-L83 HydrophobicContact CG-CD2 3.75Å; L83-L85 PolarHBondContact O-N 2.79Å; L83-A86 WeakPolarHBondContact O-CB 3.09Å; L83-A86 PolarHBondContact O-N 2.82Å; L83-V114 HydrophobicContact CD1-CB 3.78Å; L83-V114 HydrophobicContact CD1-CG1 4.3Å; L83-V114 HydrophobicContact CD1-CG2 3.97Å; L83-L116 HydrophobicContact CD2-CD1 4.28Å; L83-L116 HydrophobicContact CD2-CD2 4.26Å; L83-N138 HydrophobicContact CD1-CB 3.69Å; L83-N138 HydrophobicContact CG-CB 4.23Å; L83-A140 HydrophobicContact CD1-CB 3.97Å |
| 84 | G | 94.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | 50.5 | -118.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 I87 S139 | G84-A86 PolarHBondContact O-N 2.89Å; G84-I87 WeakPolarHBondContact O-CB 3.47Å; G84-I87 WeakPolarHBondContact O-CD1 3.45Å; G84-I87 WeakPolarHBondContact O-CG1 3.41Å; G84-I87 PolarHBondContact O-N 2.85Å; G84-S139 PolarHBondContact N-O 2.95Å |
| 85 | L | 94.4 | Very high | 95.7 | Very high | 157 Ų | 157 | 45.6 Ų | 45.6 | 82% | 0.822 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -51.2 | -32.7 | 178.3 | -64.3 | 175.5 | 0 | 0 | 0 | 113.1 | M55 L83 I87 | M55-L85 WeakPolarHBondContact CE-O 3.36Å; L83-L85 PolarHBondContact O-N 2.79Å; L85-I87 PolarHBondContact O-N 3.3Å |
| 86 | A | 96.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -73 | -7.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V53 M55 L83 G84 R89 A90 | V53-A86 HydrophobicContact CG1-CB 4.48Å; V53-A86 WeakPolarHBondContact O-CB 3.48Å; M55-A86 HydrophobicContact CE-CB 4.49Å; L83-A86 WeakPolarHBondContact O-CB 3.09Å; L83-A86 PolarHBondContact O-N 2.82Å; G84-A86 PolarHBondContact O-N 2.89Å; A86-R89 PolarHBondContact O-N 2.86Å; A86-A90 PolarHBondContact O-N 3.04Å |
| 87 | I | 97.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -52.6 | -177.3 | -72.2 | 168.9 | 0 | 0 | 0 | 111.7 | G84 L85 R89 A90 I91 I141 | G84-I87 WeakPolarHBondContact O-CB 3.47Å; G84-I87 WeakPolarHBondContact O-CD1 3.45Å; G84-I87 WeakPolarHBondContact O-CG1 3.41Å; G84-I87 PolarHBondContact O-N 2.85Å; L85-I87 PolarHBondContact O-N 3.3Å; I87-R89 PolarHBondContact O-N 3.01Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.06Å; I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 2.91Å; I87-I141 HydrophobicContact CB-CG2 4.24Å; I87-I141 HydrophobicContact CG1-CB 4.38Å; I87-I141 HydrophobicContact CG1-CG2 4Å; I87-I141 HydrophobicContact CG2-CB 4.33Å; I87-I141 HydrophobicContact CG2-CG2 3.98Å |
| 88 | N | 97.8 | Very high | 96.7 | Very high | 125 Ų | 125 | 39.6 Ų | 39.6 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59.2 | -35.3 | -177.8 | -69.7 | -15.4 | 0 | 0 | 0 | 112.2 | N92 | N88-N92 WeakPolarHBondContact O-CB 3.42Å; N88-N92 PolarHBondContact O-N 3.18Å |
| 89 | R | 97.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.6 | -39 | 178 | -174.1 | 172.9 | 172 | 158.6 | -1.7 | 112.3 | V53 N54 M55 T57 D58 F59 A86 I87 I91 N92 I93 | V53-R89 HydrophobicContact CG1-CB 3.97Å; V53-R89 HydrophobicContact CG1-CG 3.66Å; N54-R89 PolarHBondContact O-NE 3.44Å; N54-R89 PolarHBondContact O-NH1 3.46Å; M55-R89 HydrophobicContact CE-CB 3.4Å; M55-R89 HydrophobicContact CE-CG 4.29Å; M55-R89 PolarHBondContact O-NH1 3.02Å; M55-R89 HydrophobicContact SD-CB 4.33Å; T57-R89 PolarHBondContact O-NH1 3.12Å; T57-R89 PolarHBondContact O-NH2 3.17Å; D58-R89 PolarHBondContact O-NH2 2.63Å; F59-R89 VanDerWaalsContact CA-NH2 3.26Å; F59-R89 HydrophobicContact CD2-CG 4.08Å; F59-R89 HydrophobicContact CE2-CG 4.33Å; A86-R89 PolarHBondContact O-N 2.86Å; I87-R89 PolarHBondContact O-N 3.01Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-N92 PolarHBondContact O-N 2.98Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.32Å; R89-I93 PolarHBondContact O-N 2.83Å |
| 90 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | V53 V80 A86 I87 I93 A94 I141 | V53-A90 HydrophobicContact CB-CB 4.34Å; V53-A90 HydrophobicContact CG2-CB 4.08Å; V80-A90 HydrophobicContact CG1-CB 3.9Å; A86-A90 PolarHBondContact O-N 3.04Å; I87-A90 WeakPolarHBondContact O-CB 3.35Å; I87-A90 PolarHBondContact O-N 3.06Å; A90-I93 PolarHBondContact O-N 3.39Å; A90-A94 PolarHBondContact O-N 2.85Å; A90-I141 HydrophobicContact CB-CG2 4.14Å |
| 91 | I | 98.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 174.8 | -65.4 | 167.1 | 0 | 0 | 0 | 110.5 | I87 R89 I93 A94 L95 I141 I143 | I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 WeakPolarHBondContact O-CG1 3.43Å; I87-I91 PolarHBondContact O-N 2.91Å; R89-I91 VanDerWaalsContact C-N 3.33Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.3Å; I91-A94 PolarHBondContact O-N 2.68Å; I91-A94 VanDerWaalsContact O-N 3.16Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.36Å; I91-L95 PolarHBondContact O-N 3.26Å; I91-I141 HydrophobicContact CD1-CD1 4.02Å; I91-I141 HydrophobicContact CG1-CD1 3.84Å; I91-I143 HydrophobicContact CB-CD1 4.4Å; I91-I143 HydrophobicContact CG1-CD1 3.93Å |
| 92 | N | 98.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | -179.9 | -170.2 | 8.9 | 0 | 0 | 0 | 112.2 | F59 N88 R89 A94 L95 Q96 | F59-N92 HydrophobicContact CE2-CB 4.13Å; F59-N92 HydrophobicContact CZ-CB 4.39Å; N88-N92 WeakPolarHBondContact O-CB 3.42Å; N88-N92 PolarHBondContact O-N 3.18Å; R89-N92 PolarHBondContact O-N 2.98Å; N92-A94 PolarHBondContact O-N 3.17Å; N92-L95 PolarHBondContact O-N 3.22Å; N92-Q96 WeakPolarHBondContact O-CB 2.84Å; N92-Q96 WeakPolarHBondContact O-CG 3.16Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 2.85Å |
| 93 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 174.4 | -71.5 | 167.5 | 0 | 0 | 0 | 110.6 | V53 F59 Q62 L63 C66 R89 A90 I91 L95 Q96 L97 | V53-I93 HydrophobicContact CG1-CD1 4.11Å; V53-I93 HydrophobicContact CG2-CD1 3.85Å; F59-I93 HydrophobicContact CD2-CG1 4.42Å; F59-I93 HydrophobicContact CE2-CG1 3.67Å; F59-I93 HydrophobicContact CZ-CG1 4.07Å; Q62-I93 HydrophobicContact CB-CD1 3.94Å; L63-I93 HydrophobicContact CD1-CG2 4.24Å; C66-I93 HydrophobicContact CB-CG2 4.26Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.32Å; R89-I93 PolarHBondContact O-N 2.83Å; A90-I93 PolarHBondContact O-N 3.39Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 3.3Å; I93-L95 PolarHBondContact O-N 2.91Å; I93-Q96 PolarHBondContact O-N 3.4Å; I93-L97 HydrophobicContact CG2-CD1 3.97Å; I93-L97 HydrophobicContact CG2-CG 4.46Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 2.8Å |
| 94 | A | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A90 I91 N92 L97 Q98 L107 I143 V145 | A90-A94 PolarHBondContact O-N 2.85Å; I91-A94 PolarHBondContact O-N 2.68Å; I91-A94 VanDerWaalsContact O-N 3.16Å; N92-A94 PolarHBondContact O-N 3.17Å; A94-L97 PolarHBondContact O-N 2.77Å; A94-Q98 PolarHBondContact O-N 3.03Å; A94-L107 HydrophobicContact CB-CD1 4.31Å; A94-L107 HydrophobicContact CB-CD2 4.12Å; A94-I143 HydrophobicContact CB-CB 4.31Å; A94-I143 HydrophobicContact CB-CD1 3.85Å; A94-I143 HydrophobicContact CB-CG2 3.71Å; A94-V145 HydrophobicContact CB-CG2 4.23Å |
| 95 | L | 97.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.4 | -68.2 | 175.2 | 0 | 0 | 0 | 112.1 | I91 N92 I93 Q98 A99 L107 | I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.25Å; I91-L95 WeakPolarHBondContact O-CG 3.36Å; I91-L95 PolarHBondContact O-N 3.26Å; N92-L95 PolarHBondContact O-N 3.22Å; I93-L95 PolarHBondContact O-N 2.91Å; L95-Q98 PolarHBondContact O-N 3.06Å; L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; L95-L107 HydrophobicContact CD2-CD1 4.09Å |
| 96 | Q | 97.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 53 Ų | 53 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.9 | -74.2 | -172.2 | 40.5 | 0 | 0 | 112.4 | L63 N92 I93 A99 S100 | L63-Q96 HydrophobicContact CD1-CB 4Å; L63-Q96 HydrophobicContact CD2-CB 4.19Å; L63-Q96 VanDerWaalsContact CD2-OE1 3.28Å; N92-Q96 WeakPolarHBondContact O-CB 2.84Å; N92-Q96 WeakPolarHBondContact O-CG 3.16Å; N92-Q96 PolarHBondContact O-N 3.29Å; N92-Q96 PolarHBondContact OD1-NE2 2.85Å; I93-Q96 PolarHBondContact O-N 3.4Å; Q96-A99 PolarHBondContact O-N 3.02Å; Q96-S100 VanDerWaalsContact O-CB 3.29Å; Q96-S100 WeakPolarHBondContact O-CB 3.43Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 2.87Å |
| 97 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 173.6 | -68.2 | 168.6 | 0 | 0 | 0 | 110.8 | L63 C66 Q67 L70 I78 I93 A94 A99 S100 S101 L105 V145 | L63-L97 HydrophobicContact CD1-CD2 3.73Å; L63-L97 HydrophobicContact CD1-CG 3.81Å; C66-L97 HydrophobicContact CB-CD1 3.73Å; C66-L97 HydrophobicContact CB-CD2 4.17Å; C66-L97 HydrophobicContact CB-CG 4.5Å; Q67-L97 HydrophobicContact CB-CD2 4.1Å; L70-L97 HydrophobicContact CD1-CD1 4.35Å; L70-L97 HydrophobicContact CD1-CD2 4.34Å; I78-L97 HydrophobicContact CD1-CD1 4.12Å; I93-L97 HydrophobicContact CG2-CD1 3.97Å; I93-L97 HydrophobicContact CG2-CG 4.46Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.24Å; I93-L97 PolarHBondContact O-N 2.8Å; A94-L97 PolarHBondContact O-N 2.77Å; L97-A99 PolarHBondContact O-N 3.18Å; L97-S100 PolarHBondContact O-N 3.14Å; L97-S100 PolarHBondContact O-OG 2.79Å; L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 2.84Å; L97-L105 HydrophobicContact CB-CD1 4.24Å; L97-V145 HydrophobicContact CB-CG1 4.44Å; L97-V145 HydrophobicContact CD1-CG1 4.38Å; L97-V145 HydrophobicContact CD1-CG2 4.44Å |
| 98 | Q | 95.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 177.8 | -179.1 | 175.5 | 53.4 | 0 | 0 | 111.7 | A94 L95 S100 S101 L105 L107 | A94-Q98 PolarHBondContact O-N 3.03Å; L95-Q98 PolarHBondContact O-N 3.06Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-S100 PolarHBondContact O-N 3.26Å; Q98-S101 PolarHBondContact O-N 2.85Å; Q98-S101 PolarHBondContact O-OG 3.1Å; Q98-L105 PolarHBondContact NE2-O 2.94Å; Q98-L107 HydrophobicContact CB-CD1 4.07Å; Q98-L107 HydrophobicContact CB-CD2 4.42Å; Q98-L107 HydrophobicContact CB-CG 4.25Å |
| 99 | A | 95.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 Q96 L97 S101 Q102 | L95-A99 WeakPolarHBondContact O-CB 3.49Å; L95-A99 PolarHBondContact O-N 2.97Å; Q96-A99 PolarHBondContact O-N 3.02Å; L97-A99 PolarHBondContact O-N 3.18Å; A99-S101 VanDerWaalsContact C-N 3.29Å; A99-S101 PolarHBondContact O-N 2.98Å; A99-Q102 PolarHBondContact O-N 3Å |
| 100 | S | 94 | Very high | 95.5 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -27.1 | 179.2 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | Q96 L97 Q98 Q102 | Q96-S100 VanDerWaalsContact O-CB 3.29Å; Q96-S100 WeakPolarHBondContact O-CB 3.43Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 2.87Å; L97-S100 PolarHBondContact O-N 3.14Å; L97-S100 PolarHBondContact O-OG 2.79Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-S100 PolarHBondContact O-N 3.26Å; S100-Q102 PolarHBondContact O-N 3.29Å |
| 101 | S | 91.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.3 | 179.6 | 74.7 | 0 | 0 | 0 | 0 | 114.8 | L97 Q98 A99 G103 A104 L105 | L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 2.84Å; Q98-S101 PolarHBondContact O-N 2.85Å; Q98-S101 PolarHBondContact O-OG 3.1Å; A99-S101 VanDerWaalsContact C-N 3.29Å; A99-S101 PolarHBondContact O-N 2.98Å; S101-G103 PolarHBondContact O-N 2.81Å; S101-G103 VanDerWaalsContact O-N 3.17Å; S101-A104 VanDerWaalsContact O-CB 3.28Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 2.65Å; S101-A104 PolarHBondContact OG-N 2.78Å; S101-L105 WeakPolarHBondContact OG-CB 3.46Å; S101-L105 PolarHBondContact OG-N 2.79Å; S101-L105 VanDerWaalsContact OG-N 3.12Å |
| 102 | Q | 89.7 | Confident | 95.3 | Very high | 189 Ų | 189 | 61.5 Ų | 61.5 | 88% | 0.883 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.4 | -178.6 | -58 | -179.7 | -40.1 | 0 | 0 | 113.2 | A99 S100 | A99-Q102 PolarHBondContact O-N 3Å; S100-Q102 PolarHBondContact O-N 3.29Å |
| 103 | G | 85.4 | Confident | 95.1 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | S101 L105 | S101-G103 PolarHBondContact O-N 2.81Å; S101-G103 VanDerWaalsContact O-N 3.17Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 3.15Å |
| 104 | A | 91.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | trans | -71.4 | -24.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S101 Y147 P148 | S101-A104 VanDerWaalsContact O-CB 3.28Å; S101-A104 WeakPolarHBondContact O-CB 3.41Å; S101-A104 PolarHBondContact O-N 2.65Å; S101-A104 PolarHBondContact OG-N 2.78Å; A104-Y147 HydrophobicContact CB-CD1 4.24Å; A104-Y147 HydrophobicContact CB-CE1 3.99Å; A104-Y147 WeakPolarHBondContact O-CD1 3.42Å; A104-P148 VanDerWaalsContact O-CD 3.23Å; A104-P148 WeakPolarHBondContact O-CD 3.41Å | ||
| 105 | L | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | trans | -100.6 | 141.2 | 178.1 | -66.2 | 169.5 | 0 | 0 | 0 | 112.5 | L70 L97 Q98 S101 G103 V145 F146 Y147 | L70-L105 HydrophobicContact CD1-CD1 3.89Å; L70-L105 HydrophobicContact CD1-CD2 4.49Å; L70-L105 HydrophobicContact CD2-CD2 4.37Å; L97-L105 HydrophobicContact CB-CD1 4.24Å; Q98-L105 PolarHBondContact NE2-O 2.94Å; S101-L105 WeakPolarHBondContact OG-CB 3.46Å; S101-L105 PolarHBondContact OG-N 2.79Å; S101-L105 VanDerWaalsContact OG-N 3.12Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 3.15Å; L105-V145 HydrophobicContact CB-CG1 4.27Å; L105-V145 HydrophobicContact CD1-CG1 3.89Å; L105-V145 HydrophobicContact CD2-CG1 4.23Å; L105-V145 HydrophobicContact CG-CG1 4.37Å; L105-F146 WeakPolarHBondContact CA-O 3.49Å; L105-Y147 HydrophobicContact CD2-CD1 3.84Å; L105-Y147 HydrophobicContact CD2-CD2 3.84Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.71Å; L105-Y147 HydrophobicContact CD2-CG 3.9Å; L105-Y147 HydrophobicContact CG-CE1 4.17Å | ||
| 106 | Q | 96.5 | Very high | 93.9 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 156.1 | 168.2 | -67.5 | -173.4 | 11.4 | 0 | 0 | 111.2 | V145 F146 P148 | Q106-V145 WeakPolarHBondContact O-CA 3.42Å; Q106-F146 HydrophobicContact CB-CD1 4.46Å; Q106-F146 HydrophobicContact CB-CE1 3.91Å; Q106-F146 HydrophobicContact CB-CE2 3.98Å; Q106-F146 HydrophobicContact CB-CZ 3.63Å; Q106-F146 PolarHBondContact N-O 2.99Å; Q106-F146 WeakPolarHBondContact O-CD1 3.12Å; Q106-F146 PolarHBondContact O-N 3.17Å; Q106-P148 HydrophobicContact CG-CB 4.31Å; Q106-P148 HydrophobicContact CG-CG 4.04Å |
| 107 | L | 97.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.8 | -178 | -56.2 | -178.6 | 0 | 0 | 0 | 109.8 | A94 L95 Q98 I143 K144 V145 | A94-L107 HydrophobicContact CB-CD1 4.31Å; A94-L107 HydrophobicContact CB-CD2 4.12Å; L95-L107 HydrophobicContact CD2-CD1 4.09Å; Q98-L107 HydrophobicContact CB-CD1 4.07Å; Q98-L107 HydrophobicContact CB-CD2 4.42Å; Q98-L107 HydrophobicContact CB-CG 4.25Å; L107-I143 HydrophobicContact CB-CG2 4.45Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; L107-K144 CarbonylContact C-O 3.53Å; L107-K144 WeakPolarHBondContact CA-O 3.24Å; L107-V145 HydrophobicContact CD2-CB 4.12Å; L107-V145 HydrophobicContact CD2-CG1 3.9Å; L107-V145 HydrophobicContact CD2-CG2 3.71Å |
| 108 | A | 97.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | I143 K144 F146 | A108-I143 CarbonylContact O-C 3.54Å; A108-I143 WeakPolarHBondContact O-CA 3.35Å; A108-K144 HydrophobicContact CB-CB 4.29Å; A108-K144 PolarHBondContact N-O 2.82Å; A108-K144 PolarHBondContact O-N 2.92Å; A108-F146 HydrophobicContact CB-CE1 4.13Å |
| 109 | A | 97.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I141 H142 I143 | A109-I141 HydrophobicContact CB-CD1 4.47Å; A109-H142 CarbonylContact C-O 3.55Å; A109-H142 WeakPolarHBondContact CA-O 3.47Å; A109-I143 HydrophobicContact CB-CG1 4.38Å |
| 110 | N | 97.4 | Very high | 91.6 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.4 | 171.4 | -66.2 | 83.2 | 0 | 0 | 0 | 109.2 | I141 H142 | N110-I141 CarbonylContact O-C 3.57Å; N110-I141 WeakPolarHBondContact O-CA 3.46Å; N110-H142 PolarHBondContact N-O 2.8Å; N110-H142 PolarHBondContact O-N 2.78Å |
| 111 | T | 97 | Very high | 90.8 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 153.7 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | A140 | T111-A140 VanDerWaalsContact CA-O 3.32Å; T111-A140 WeakPolarHBondContact CA-O 3.14Å |
| 112 | S | 94.8 | Very high | 90 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 167 | 173.6 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | A140 H142 | S112-A140 PolarHBondContact N-O 2.89Å; S112-A140 PolarHBondContact O-N 2.75Å; S112-H142 PolarHBondContact OG-NE2 2.81Å |
| 113 | T | 93.8 | Very high | 89.1 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 63% | 0.632 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.9 | 170.8 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | N137 | T113-N137 HydrophobicContact CG2-CB 3.83Å |
| 114 | V | 91.3 | Very high | 88.6 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 22% | 0.218 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.3 | 178.6 | -179.6 | 0 | 0 | 0 | 0 | 109 | P41 L83 L116 N138 A140 | P41-V114 HydrophobicContact CB-CG1 4.34Å; L83-V114 HydrophobicContact CD1-CB 3.78Å; L83-V114 HydrophobicContact CD1-CG1 4.3Å; L83-V114 HydrophobicContact CD1-CG2 3.97Å; V114-L116 HydrophobicContact CG1-CD2 3.86Å; V114-N138 PolarHBondContact N-O 2.81Å; V114-N138 PolarHBondContact O-N 2.8Å; V114-A140 HydrophobicContact CG2-CB 3.76Å |
| 115 | E | 90.6 | Very high | 87.2 | Confident | 119 Ų | 119 | 61 Ų | 61 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 129.7 | 172.5 | -168.2 | -176.3 | 168.8 | 0 | 0 | 110.1 | T135 | E115-T135 HydrophobicContact CG-CG2 3.35Å; E115-T135 WeakPolarHBondContact OE1-CG2 3.19Å |
| 116 | L | 86.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.8 | 179.9 | -54.1 | 177.5 | 0 | 0 | 0 | 109.1 | P41 L83 V114 T135 R136 N138 | P41-L116 HydrophobicContact CB-CD2 3.47Å; P41-L116 VanDerWaalsContact CB-CD2 3.47Å; P41-L116 HydrophobicContact CG-CD2 3.47Å; P41-L116 VanDerWaalsContact CG-CD2 3.47Å; L83-L116 HydrophobicContact CD2-CD1 4.28Å; L83-L116 HydrophobicContact CD2-CD2 4.26Å; V114-L116 HydrophobicContact CG1-CD2 3.86Å; L116-T135 CarbonylContact O-C 3.6Å; L116-T135 WeakPolarHBondContact O-CA 3.33Å; L116-R136 HydrophobicContact CB-CG 3.74Å; L116-R136 HydrophobicContact CD1-CG 4.32Å; L116-R136 HydrophobicContact CG-CG 4.47Å; L116-R136 PolarHBondContact N-O 3.39Å; L116-R136 PolarHBondContact O-N 3.34Å; L116-N138 HydrophobicContact CD1-CB 4.01Å; L116-N138 WeakPolarHBondContact CD1-ND2 3.49Å |
| 117 | I | 86.9 | Confident | 84.3 | Confident | 41 Ų | 41 | 68.7 Ų | 68.7 | 21% | 0.21 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.5 | 176.9 | -57.1 | 170.3 | 0 | 0 | 0 | 106.9 | R39 T133 | R39-I117 WeakPolarHBondContact CB-O 3.46Å; R39-I117 WeakPolarHBondContact CG-O 3.29Å; R39-I117 PolarHBondContact N-O 3.01Å; I117-T133 HydrophobicContact CG2-CG2 4.47Å |
| 118 | D | 85.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.6 | 170.1 | -61.1 | -31.3 | 0 | 0 | 0 | 108.5 | L36 K38 T133 R134 R136 | L36-D118 HydrophobicContact CD1-CB 3.63Å; L36-D118 HydrophobicContact CG-CB 4.47Å; K38-D118 VanDerWaalsContact CA-OD1 3.29Å; K38-D118 WeakPolarHBondContact CA-OD1 3.34Å; K38-D118 WeakPolarHBondContact CB-OD1 3.28Å; K38-D118 WeakPolarHBondContact CG-OD1 3.4Å; D118-T133 WeakPolarHBondContact O-CA 3.37Å; D118-R134 PolarHBondContact N-O 2.81Å; D118-R134 PolarHBondContact O-N 3.09Å; D118-R136 IonicContact OD1-CZ 3.25Å; D118-R136 VanDerWaalsContact OD1-CZ 3.25Å; D118-R136 IonicContact OD1-NE 3.79Å; D118-R136 IonicContact OD1-NH1 3.7Å; D118-R136 IonicContact OD1-NH2 3.1Å; D118-R136 PolarHBondContact OD1-NH2 3.27Å; D118-R136 WeakPolarHBondContact OD2-CD 3.47Å; D118-R136 IonicContact OD2-CZ 2.9Å; D118-R136 IonicContact OD2-NE 3.34Å; D118-R136 PolarHBondContact OD2-NE 3.48Å; D118-R136 IonicContact OD2-NH1 2.72Å; D118-R136 PolarHBondContact OD2-NH1 3.29Å; D118-R136 IonicContact OD2-NH2 3.18Å; D118-R136 PolarHBondContact OD2-NH2 2.79Å |
| 119 | D | 84.1 | Confident | 80.8 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 16% | 0.16 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 145.5 | 172.7 | -62.1 | -27.8 | 0 | 0 | 0 | 109.7 | R37 R39 | R37-D119 HydrophobicContact CB-CB 4.29Å; R37-D119 PolarHBondContact N-O 3.02Å; R37-D119 PolarHBondContact O-N 2.9Å; R39-D119 IonicContact CZ-OD1 2.83Å; R39-D119 IonicContact CZ-OD2 2.78Å; R39-D119 IonicContact NE-OD1 2.79Å; R39-D119 PolarHBondContact NE-OD1 3.46Å; R39-D119 IonicContact NE-OD2 3.06Å; R39-D119 PolarHBondContact NE-OD2 2.76Å; R39-D119 IonicContact NH1-OD1 3.53Å; R39-D119 IonicContact NH2-OD1 2.79Å; R39-D119 PolarHBondContact NH2-OD1 2.88Å; R39-D119 IonicContact NH2-OD2 2.94Å; R39-D119 PolarHBondContact NH2-OD2 2.72Å |
| 120 | L | 78.8 | Confident | 79.5 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.6 | 173.5 | -66.1 | 162.6 | 0 | 0 | 0 | 107.1 | M29 Y34 L36 M132 R134 | M29-L120 HydrophobicContact CE-CD1 3.7Å; Y34-L120 HydrophobicContact CD1-CB 4.09Å; L36-L120 HydrophobicContact CB-CD2 4.22Å; L36-L120 HydrophobicContact CD1-CD2 3.57Å; L36-L120 HydrophobicContact CD1-CG 4.27Å; L120-M132 HydrophobicContact CB-CB 4.16Å; L120-M132 HydrophobicContact CD1-CB 4.18Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; L120-M132 PolarHBondContact N-O 3.17Å; L120-M132 PolarHBondContact O-N 2.88Å; L120-M132 VanDerWaalsContact O-N 3.09Å; L120-R134 HydrophobicContact CD1-CB 4.3Å |
| 121 | E | 77.4 | Confident | 78.4 | Confident | 65 Ų | 65 | 75 Ų | 75 | 30% | 0.304 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.1 | 174.6 | -67.9 | 176.9 | -171.4 | 0 | 0 | 108.3 | Y34 T35 R37 | Y34-E121 WeakPolarHBondContact CA-O 3.29Å; T35-E121 PolarHBondContact N-O 2.82Å; T35-E121 PolarHBondContact O-N 3.34Å; T35-E121 VanDerWaalsContact O-N 3.15Å; R37-E121 WeakPolarHBondContact CD-OE1 3.36Å; R37-E121 VanDerWaalsContact CZ-CD 3.47Å; R37-E121 IonicContact CZ-OE1 2.68Å; R37-E121 IonicContact CZ-OE2 3.56Å; R37-E121 IonicContact NE-OE1 2.65Å; R37-E121 IonicContact NE-OE2 3.37Å; R37-E121 PolarHBondContact NE-OE2 2.95Å; R37-E121 VanDerWaalsContact NE-OE2 3.1Å; R37-E121 VanDerWaalsContact NH1-CD 3.31Å; R37-E121 IonicContact NH1-OE1 3Å; R37-E121 PolarHBondContact NH1-OE1 2.82Å; R37-E121 IonicContact NH1-OE2 3.29Å; R37-E121 PolarHBondContact NH1-OE2 3.27Å; R37-E121 IonicContact NH2-OE2 2.82Å; R37-E121 PolarHBondContact NH2-OE2 2.87Å |
| 122 | P | 75.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 21% | 0.208 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 145.1 | 171.6 | -15.9 | 26.5 | 0 | 0 | 0 | 110.8 | Y34 G129 | Y34-P122 HydrophobicContact CE1-CB 4.33Å; Y34-P122 HydrophobicContact CE1-CG 3.97Å; P122-G129 WeakPolarHBondContact CG-O 3.32Å |
| 123 | E | 70.2 | Confident | 77.1 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -72.9 | -35.4 | 177.3 | -68.7 | -160.8 | 166.4 | 0 | 0 | 113 | E33 T35 | E33-E123 PolarHBondContact O-N 2.78Å; T35-E123 PolarHBondContact OG1-OE1 3.42Å |
| 124 | D | 74.3 | Confident | 76.7 | Confident | 75 Ų | 75 | 78.7 Ų | 78.7 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | trans | -103 | 115.5 | 175.6 | -166.3 | -24.7 | 0 | 0 | 0 | 110.5 | D126 E127 | D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 WeakPolarHBondContact OD1-CB 3.33Å; D124-D126 PolarHBondContact OD1-N 3Å; D124-E127 HydrophobicContact CB-CB 3.91Å; D124-E127 PolarHBondContact O-N 2.84Å | ||
| 125 | P | 62.6 | Low | 76.5 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 78% | 0.779 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.3 | 177.7 | 28.1 | -34.3 | 0 | 0 | 0 | 113.9 | ||
| 126 | D | 65.9 | Low | 76.5 | Confident | 154 Ų | 154 | 78 Ų | 78 | 82% | 0.824 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -9.6 | 176.2 | -64.5 | -36.7 | 0 | 0 | 0 | 112.3 | D124 | D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 WeakPolarHBondContact OD1-CB 3.33Å; D124-D126 PolarHBondContact OD1-N 3Å |
| 127 | E | 64.1 | Low | 76.8 | Confident | 103 Ų | 103 | 83 Ų | 83 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -86.5 | 131.4 | 171.8 | -159.9 | 165.2 | -134.9 | 0 | 0 | 109.4 | D124 G129 | D124-E127 HydrophobicContact CB-CB 3.91Å; D124-E127 PolarHBondContact O-N 2.84Å; E127-G129 PolarHBondContact O-N 2.95Å |
| 128 | A | 58.6 | Low | 77.1 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 87% | 0.868 | 45% | 0.454 | S | S | * | . | trans | -72.7 | 33.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 129 | G | 63.8 | Low | 77.6 | Confident | 23 Ų | 23 | 87 Ų | 87 | 24% | 0.237 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 124.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | P122 E127 | P122-G129 WeakPolarHBondContact CG-O 3.32Å; E127-G129 PolarHBondContact O-N 2.95Å |
| 130 | E | 70.9 | Confident | 78.2 | Confident | 163 Ų | 163 | 85.8 Ų | 85.8 | 76% | 0.762 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 141.3 | 170.5 | -67 | -173.9 | 170 | 0 | 0 | 110.5 | M132 | E130-M132 PolarHBondContact O-N 3.27Š|
| 131 | P | 73.9 | Confident | 79.1 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 70% | 0.695 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 127.4 | 173.9 | -22.4 | 31.7 | 0 | 0 | 0 | 111.3 | ||
| 132 | M | 79.8 | Confident | 80 | Confident | 108 Ų | 108 | 85 Ų | 85 | 53% | 0.532 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.1 | -177.3 | -174.4 | 64.1 | 69.9 | 0 | 0 | 111 | L120 E130 | L120-M132 HydrophobicContact CB-CB 4.16Å; L120-M132 HydrophobicContact CD1-CB 4.18Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; L120-M132 PolarHBondContact N-O 3.17Å; L120-M132 PolarHBondContact O-N 2.88Å; L120-M132 VanDerWaalsContact O-N 3.09Å; E130-M132 PolarHBondContact O-N 3.27Å |
| 133 | T | 84.5 | Confident | 81 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.5 | 172.7 | 59 | 0 | 0 | 0 | 0 | 110.8 | I117 D118 | I117-T133 HydrophobicContact CG2-CG2 4.47Å; D118-T133 WeakPolarHBondContact O-CA 3.37Å |
| 134 | R | 85.6 | Confident | 82.3 | Confident | 153 Ų | 153 | 81.8 Ų | 81.8 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.4 | 175.2 | -174.9 | 177.8 | -176.2 | 169.8 | 4.7 | 110.8 | D118 L120 | D118-R134 PolarHBondContact N-O 2.81Å; D118-R134 PolarHBondContact O-N 3.09Å; L120-R134 HydrophobicContact CD1-CB 4.3Å |
| 135 | T | 87.8 | Confident | 83.4 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.9 | 170.8 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | E115 L116 | E115-T135 HydrophobicContact CG-CG2 3.35Å; E115-T135 WeakPolarHBondContact OE1-CG2 3.19Å; L116-T135 CarbonylContact O-C 3.6Å; L116-T135 WeakPolarHBondContact O-CA 3.33Å |
| 136 | R | 89.8 | Confident | 84.9 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.1 | 169.3 | 68.8 | 177.1 | -179.3 | -146.3 | -15.6 | 111.4 | K38 L116 D118 | K38-R136 VanDerWaalsContact CE-NH1 3.34Å; L116-R136 HydrophobicContact CB-CG 3.74Å; L116-R136 HydrophobicContact CD1-CG 4.32Å; L116-R136 HydrophobicContact CG-CG 4.47Å; L116-R136 PolarHBondContact N-O 3.39Å; L116-R136 PolarHBondContact O-N 3.34Å; D118-R136 IonicContact OD1-CZ 3.25Å; D118-R136 VanDerWaalsContact OD1-CZ 3.25Å; D118-R136 IonicContact OD1-NE 3.79Å; D118-R136 IonicContact OD1-NH1 3.7Å; D118-R136 IonicContact OD1-NH2 3.1Å; D118-R136 PolarHBondContact OD1-NH2 3.27Å; D118-R136 WeakPolarHBondContact OD2-CD 3.47Å; D118-R136 IonicContact OD2-CZ 2.9Å; D118-R136 IonicContact OD2-NE 3.34Å; D118-R136 PolarHBondContact OD2-NE 3.48Å; D118-R136 IonicContact OD2-NH1 2.72Å; D118-R136 PolarHBondContact OD2-NH1 3.29Å; D118-R136 IonicContact OD2-NH2 3.18Å; D118-R136 PolarHBondContact OD2-NH2 2.79Å |
| 137 | N | 91.9 | Very high | 86.2 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.1 | 176.9 | -67.9 | -32.2 | 0 | 0 | 0 | 110.3 | T113 | T113-N137 HydrophobicContact CG2-CB 3.83Å |
| 138 | N | 93.9 | Very high | 87.5 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.6 | 171.3 | -87 | 2.5 | 0 | 0 | 0 | 110.3 | L83 V114 L116 | L83-N138 HydrophobicContact CD1-CB 3.69Å; L83-N138 HydrophobicContact CG-CB 4.23Å; V114-N138 PolarHBondContact N-O 2.81Å; V114-N138 PolarHBondContact O-N 2.8Å; L116-N138 HydrophobicContact CD1-CB 4.01Å; L116-N138 WeakPolarHBondContact CD1-ND2 3.49Å |
| 139 | S | 96.4 | Very high | 88.7 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145.1 | 167.2 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | G84 | G84-S139 PolarHBondContact N-O 2.95Å |
| 140 | A | 96.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G82 L83 T111 S112 V114 | G82-A140 CarbonylContact O-C 3.58Å; G82-A140 VanDerWaalsContact O-CA 3.24Å; G82-A140 WeakPolarHBondContact O-CA 3.49Å; L83-A140 HydrophobicContact CD1-CB 3.97Å; T111-A140 VanDerWaalsContact CA-O 3.32Å; T111-A140 WeakPolarHBondContact CA-O 3.14Å; S112-A140 PolarHBondContact N-O 2.89Å; S112-A140 PolarHBondContact O-N 2.75Å; V114-A140 HydrophobicContact CG2-CB 3.76Å |
| 141 | I | 97.3 | Very high | 88.4 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.097 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.2 | 170.6 | -162.5 | 170.2 | 0 | 0 | 0 | 109.3 | H81 G82 I87 A90 I91 A109 N110 I143 | H81-I141 WeakPolarHBondContact CA-O 3.48Å; G82-I141 PolarHBondContact N-O 2.84Å; G82-I141 PolarHBondContact O-N 2.93Å; I87-I141 HydrophobicContact CB-CG2 4.24Å; I87-I141 HydrophobicContact CG1-CB 4.38Å; I87-I141 HydrophobicContact CG1-CG2 4Å; I87-I141 HydrophobicContact CG2-CB 4.33Å; I87-I141 HydrophobicContact CG2-CG2 3.98Å; A90-I141 HydrophobicContact CB-CG2 4.14Å; I91-I141 HydrophobicContact CD1-CD1 4.02Å; I91-I141 HydrophobicContact CG1-CD1 3.84Å; A109-I141 HydrophobicContact CB-CD1 4.47Å; N110-I141 CarbonylContact O-C 3.57Å; N110-I141 WeakPolarHBondContact O-CA 3.46Å; I141-I143 HydrophobicContact CD1-CD1 4.06Å; I141-I143 HydrophobicContact CD1-CG1 3.98Å; I141-I143 HydrophobicContact CG1-CD1 4.46Å; I141-I143 HydrophobicContact CG1-CG1 3.93Å |
| 142 | H | 96.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 19% | 0.185 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 111.1 | 176 | -51.4 | -36.4 | 0 | 0 | 0 | 107.3 | H81 A109 N110 S112 | H81-H142 AromaticContact CE1-ND1 3.9Å; H81-H142 AromaticContact CG-ND1 3.82Å; H81-H142 AromaticContact ND1-CE1 3.63Å; H81-H142 AromaticContact ND1-CG 3.5Å; H81-H142 AromaticContact ND1-ND1 2.91Å; H81-H142 PolarHBondContact ND1-ND1 3.25Å; A109-H142 CarbonylContact C-O 3.55Å; A109-H142 WeakPolarHBondContact CA-O 3.47Å; N110-H142 PolarHBondContact N-O 2.8Å; N110-H142 PolarHBondContact O-N 2.78Å; S112-H142 PolarHBondContact OG-NE2 2.81Å |
| 143 | I | 97.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.046 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 109.5 | -177 | -50.3 | 172.9 | 0 | 0 | 0 | 108.1 | C79 V80 I91 A94 L107 A108 A109 I141 V145 | C79-I143 WeakPolarHBondContact CA-O 3.38Å; V80-I143 HydrophobicContact CB-CB 4.48Å; V80-I143 PolarHBondContact N-O 2.79Å; V80-I143 PolarHBondContact O-N 2.86Å; I91-I143 HydrophobicContact CB-CD1 4.4Å; I91-I143 HydrophobicContact CG1-CD1 3.93Å; A94-I143 HydrophobicContact CB-CB 4.31Å; A94-I143 HydrophobicContact CB-CD1 3.85Å; A94-I143 HydrophobicContact CB-CG2 3.71Å; L107-I143 HydrophobicContact CB-CG2 4.45Å; L107-I143 HydrophobicContact CD2-CG2 4.35Å; A108-I143 CarbonylContact O-C 3.54Å; A108-I143 WeakPolarHBondContact O-CA 3.35Å; A109-I143 HydrophobicContact CB-CG1 4.38Å; I141-I143 HydrophobicContact CD1-CD1 4.06Å; I141-I143 HydrophobicContact CD1-CG1 3.98Å; I141-I143 HydrophobicContact CG1-CD1 4.46Å; I141-I143 HydrophobicContact CG1-CG1 3.93Å; I143-V145 HydrophobicContact CG2-CG2 4.34Å |
| 144 | K | 97 | Very high | 89.9 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.1 | 169 | -170.7 | -176.3 | 178.6 | 172.9 | 0 | 108.6 | E77 I78 L107 A108 F146 | E77-K144 WeakPolarHBondContact OE1-CE 3.21Å; E77-K144 IonicContact OE1-NZ 3.59Å; E77-K144 WeakPolarHBondContact OE2-CE 3.36Å; E77-K144 IonicContact OE2-NZ 3.39Å; E77-K144 PolarHBondContact OE2-NZ 2.93Å; I78-K144 WeakPolarHBondContact O-CA 3.42Å; L107-K144 CarbonylContact C-O 3.53Å; L107-K144 WeakPolarHBondContact CA-O 3.24Å; A108-K144 HydrophobicContact CB-CB 4.29Å; A108-K144 PolarHBondContact N-O 2.82Å; A108-K144 PolarHBondContact O-N 2.92Å; K144-F146 HydrophobicContact CB-CD1 4.47Å; K144-F146 HydrophobicContact CD-CD1 3.99Å; K144-F146 HydrophobicContact CD-CE1 4.45Å; K144-F146 HydrophobicContact CG-CD1 3.85Å |
| 145 | V | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.6 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 107 | L70 E77 I78 V80 A94 L97 L105 Q106 L107 I143 | L70-V145 HydrophobicContact CD1-CG1 4.22Å; E77-V145 CarbonylContact C-O 3.58Å; E77-V145 WeakPolarHBondContact CA-O 3.4Å; I78-V145 HydrophobicContact CG1-CB 3.85Å; I78-V145 HydrophobicContact CG1-CG2 4.29Å; I78-V145 PolarHBondContact N-O 3.07Å; I78-V145 PolarHBondContact O-N 2.86Å; V80-V145 HydrophobicContact CG2-CG2 4.15Å; A94-V145 HydrophobicContact CB-CG2 4.23Å; L97-V145 HydrophobicContact CB-CG1 4.44Å; L97-V145 HydrophobicContact CD1-CG1 4.38Å; L97-V145 HydrophobicContact CD1-CG2 4.44Å; L105-V145 HydrophobicContact CB-CG1 4.27Å; L105-V145 HydrophobicContact CD1-CG1 3.89Å; L105-V145 HydrophobicContact CD2-CG1 4.23Å; L105-V145 HydrophobicContact CG-CG1 4.37Å; Q106-V145 WeakPolarHBondContact O-CA 3.42Å; L107-V145 HydrophobicContact CD2-CB 4.12Å; L107-V145 HydrophobicContact CD2-CG1 3.9Å; L107-V145 HydrophobicContact CD2-CG2 3.71Å; I143-V145 HydrophobicContact CG2-CG2 4.34Å |
| 146 | F | 95.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.7 | -169.9 | 65.3 | -80.1 | 0 | 0 | 0 | 113 | R76 E77 L105 Q106 A108 K144 P148 | R76-F146 WeakPolarHBondContact O-CA 3.17Å; E77-F146 HydrophobicContact CB-CB 3.6Å; L105-F146 WeakPolarHBondContact CA-O 3.49Å; Q106-F146 HydrophobicContact CB-CD1 4.46Å; Q106-F146 HydrophobicContact CB-CE1 3.91Å; Q106-F146 HydrophobicContact CB-CE2 3.98Å; Q106-F146 HydrophobicContact CB-CZ 3.63Å; Q106-F146 PolarHBondContact N-O 2.99Å; Q106-F146 WeakPolarHBondContact O-CD1 3.12Å; Q106-F146 PolarHBondContact O-N 3.17Å; A108-F146 HydrophobicContact CB-CE1 4.13Å; K144-F146 HydrophobicContact CB-CD1 4.47Å; K144-F146 HydrophobicContact CD-CD1 3.99Å; K144-F146 HydrophobicContact CD-CE1 4.45Å; K144-F146 HydrophobicContact CG-CD1 3.85Å; F146-P148 HydrophobicContact CE2-CB 4.44Å |
| 147 | Y | 93.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 119.7 | 165.9 | -66.2 | -81.5 | 0 | 0 | 0 | 108.8 | L70 R76 A104 L105 | L70-Y147 HydrophobicContact CD2-CE2 4.26Å; R76-Y147 PolarHBondContact O-N 3.21Å; R76-Y147 VanDerWaalsContact O-N 3.09Å; A104-Y147 HydrophobicContact CB-CD1 4.24Å; A104-Y147 HydrophobicContact CB-CE1 3.99Å; A104-Y147 WeakPolarHBondContact O-CD1 3.42Å; L105-Y147 HydrophobicContact CD2-CD1 3.84Å; L105-Y147 HydrophobicContact CD2-CD2 3.84Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.71Å; L105-Y147 HydrophobicContact CD2-CG 3.9Å; L105-Y147 HydrophobicContact CG-CE1 4.17Å |
| 148 | P | 90.3 | Very high | 90.2 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -62 | 152.7 | 175.2 | 29.5 | -34.2 | 0 | 0 | 0 | 110.1 | A104 Q106 F146 | A104-P148 VanDerWaalsContact O-CD 3.23Å; A104-P148 WeakPolarHBondContact O-CD 3.41Å; Q106-P148 HydrophobicContact CG-CB 4.31Å; Q106-P148 HydrophobicContact CG-CG 4.04Å; F146-P148 HydrophobicContact CE2-CB 4.44Å |
| 149 | D | 83.1 | Confident | 89.9 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -70 | 142.7 | 170.9 | -70.8 | -42.7 | 0 | 0 | 0 | 110 | R76 Q151 | R76-D149 IonicContact CZ-OD1 3.28Å; R76-D149 VanDerWaalsContact CZ-OD1 3.28Å; R76-D149 IonicContact NH1-OD1 2.86Å; R76-D149 PolarHBondContact NH1-OD1 2.78Å; R76-D149 IonicContact NH2-OD1 2.85Å; R76-D149 PolarHBondContact NH2-OD1 2.98Å; D149-Q151 PolarHBondContact O-N 3.34Å |
| 150 | P | 72.3 | Confident | 89.3 | Confident | 119 Ų | 119 | 66.9 Ų | 66.9 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 127.6 | 174.8 | 23.5 | -30.2 | 0 | 0 | 0 | 109.1 | ||
| 151 | Q | 56.3 | Low | 88.7 | Confident | 269 Ų | 269 | 72.6 Ų | 72.6 | 100% | 1.257 | 37% | 0.367 | S | S | * | . | trans | -71.4 | 0 | 171.2 | -82 | -175.1 | -34.6 | 0 | 0 | 111.5 | D149 | D149-Q151 PolarHBondContact O-N 3.34Š|
Retrieved 151 of 151 residues in 25.8 ms
(Link to these results)