| 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 | 51.8 | Low | 57.7 | Low | 113 Ų | 113 | 65.5 Ų | 65.5 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | 0 | -45.6 | 0 | -87.2 | -70.5 | -131.9 | 0 | 0 | 114.8 | L79 | M1-L79 HydrophobicContact CE-CD1 4.42Å; M1-L79 HydrophobicContact CE-CD2 3.76Å | |||
| 2 | R | 47.6 | Very low | 57.8 | Low | 97 Ų | 97 | 72.2 Ų | 72.2 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 179.1 | -117.6 | -167.2 | -171.8 | -174.1 | 0.3 | 114.1 | L4 L5 T6 H58 L59 | R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.13Å; R2-L5 CarbonylContact O-C 3.59Å; R2-L5 PolarHBondContact O-N 2.72Å; R2-T6 HydrophobicContact CG-CG2 4.42Å; R2-T6 PolarHBondContact O-N 2.6Å; R2-T6 PolarHBondContact O-OG1 3.24Å; R2-T6 VanDerWaalsContact O-OG1 3.05Å; R2-H58 PolarHBondContact NE-O 3.24Å; R2-H58 PolarHBondContact NH2-O 2.81Å; R2-L59 HydrophobicContact CB-CD2 4.05Å; R2-L59 HydrophobicContact CG-CD2 3.38Å; R2-L59 HydrophobicContact CG-CG 4.23Å |
| 3 | L | 51.9 | Low | 57.8 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | -177.1 | -138.1 | 78.7 | 0 | 0 | 0 | 112.8 | L5 E8 L117 C121 | L3-L5 PolarHBondContact O-N 3.3Å; L3-E8 WeakPolarHBondContact CD1-O 3.43Å; L3-L117 HydrophobicContact CD1-CD1 4.3Å; L3-L117 HydrophobicContact CD2-CB 3.91Å; L3-L117 HydrophobicContact CD2-CD2 4.08Å; L3-L117 HydrophobicContact CD2-CG 4.4Å; L3-L117 HydrophobicContact CG-CB 3.85Å; L3-L117 HydrophobicContact CG-CD1 3.89Å; L3-L117 HydrophobicContact CG-CD2 4.18Å; L3-L117 HydrophobicContact CG-CG 4.18Å; L3-C121 VanDerWaalsContact CB-SG 3.57Å; L3-C121 VanDerWaalsContact CD2-SG 3.51Å |
| 4 | L | 56.6 | Low | 57.4 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 40% | 0.398 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -23.1 | 175.1 | -81.5 | 142.4 | 0 | 0 | 0 | 113.3 | R2 L118 | R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.13Å; L4-L118 HydrophobicContact CB-CD2 4.02Å; L4-L118 HydrophobicContact CD2-CD1 4.38Å; L4-L118 HydrophobicContact CD2-CD2 3.32Å; L4-L118 HydrophobicContact CD2-CG 4.27Å; L4-L118 HydrophobicContact CG-CD2 3.73Å |
| 5 | L | 60.7 | Low | 57.1 | Low | 23 Ų | 23 | 78.6 Ų | 78.6 | 12% | 0.12 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -108.5 | -46.5 | -171.2 | -65.2 | 172.4 | 0 | 0 | 0 | 110.1 | R2 L3 L59 L64 F67 I75 L79 | R2-L5 CarbonylContact O-C 3.59Å; R2-L5 PolarHBondContact O-N 2.72Å; L3-L5 PolarHBondContact O-N 3.3Å; L5-L59 HydrophobicContact CB-CD2 4.44Å; L5-L59 HydrophobicContact CD1-CD1 4.04Å; L5-L59 HydrophobicContact CD1-CD2 3.7Å; L5-L64 HydrophobicContact CB-CD1 4.25Å; L5-L64 HydrophobicContact CB-CD2 3.46Å; L5-L64 VanDerWaalsContact CB-CD2 3.46Å; L5-L64 WeakPolarHBondContact O-CD2 3.39Å; L5-F67 HydrophobicContact CD2-CZ 4.34Å; L5-F67 WeakPolarHBondContact O-CE2 3.32Å; L5-I75 HydrophobicContact CD1-CG2 3.71Å; L5-I75 HydrophobicContact CD2-CD1 3.5Å; L5-I75 HydrophobicContact CD2-CG1 4.08Å; L5-I75 HydrophobicContact CD2-CG2 4.44Å; L5-L79 HydrophobicContact CD1-CD1 4.4Å |
| 6 | T | 64.9 | Low | 56.7 | Low | 16 Ų | 16 | 85 Ų | 85 | 10% | 0.098 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -88.8 | -13.8 | -166.7 | 55.8 | 0 | 0 | 0 | 0 | 116.5 | R2 E8 K63 L64 | R2-T6 HydrophobicContact CG-CG2 4.42Å; R2-T6 PolarHBondContact O-N 2.6Å; R2-T6 PolarHBondContact O-OG1 3.24Å; R2-T6 VanDerWaalsContact O-OG1 3.05Å; T6-E8 PolarHBondContact O-N 3.13Å; T6-K63 HydrophobicContact CG2-CB 3.98Å; T6-L64 HydrophobicContact CG2-CD2 3.45Å; T6-L64 VanDerWaalsContact CG2-CD2 3.45Å; T6-L64 HydrophobicContact CG2-CG 4.42Å |
| 7 | G | 56.6 | Low | 56.2 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | trans | 64 | 10.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 8 | E | 60.4 | Low | 55.6 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 35% | 0.346 | 49% | 0.487 | S | S | . | . | trans | -117 | 126.8 | -177.8 | -71.1 | 176.9 | -174.3 | 0 | 0 | 110.1 | L3 T6 K63 L117 | L3-E8 WeakPolarHBondContact CD1-O 3.43Å; T6-E8 PolarHBondContact O-N 3.13Å; E8-K63 WeakPolarHBondContact OE2-CD 3.3Å; E8-K63 WeakPolarHBondContact OE2-CE 3.49Å; E8-K63 IonicContact OE2-NZ 2.73Å; E8-K63 PolarHBondContact OE2-NZ 3.3Å; E8-L117 VanDerWaalsContact N-CD1 3.29Å | ||
| 9 | N | 60.7 | Low | 54.8 | Low | 54 Ų | 54 | 99.5 Ų | 99.5 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | trans | -81 | 126.4 | 169.6 | -173.8 | -20.2 | 0 | 0 | 0 | 109 | N11 E12 L117 | N9-N11 PolarHBondContact O-N 3.03Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 WeakPolarHBondContact OD1-CB 3.3Å; N9-N11 PolarHBondContact OD1-N 3.13Å; N9-E12 HydrophobicContact CB-CG 4.44Å; N9-E12 PolarHBondContact O-N 3.25Å; N9-L117 HydrophobicContact CB-CD2 4.34Å | ||
| 10 | P | 61.9 | Low | 54.2 | Low | 86 Ų | 86 | 100 Ų | 100 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.7 | 176.7 | 22.4 | -32.8 | 0 | 0 | 0 | 113.6 | ||
| 11 | N | 61.7 | Low | 53.5 | Low | 104 Ų | 104 | 100.7 Ų | 100.7 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.1 | -176.4 | -61.3 | -9.1 | 0 | 0 | 0 | 113.9 | N9 V15 | N9-N11 PolarHBondContact O-N 3.03Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 WeakPolarHBondContact OD1-CB 3.3Å; N9-N11 PolarHBondContact OD1-N 3.13Å; N11-V15 WeakPolarHBondContact O-CG2 3.43Å |
| 12 | E | 58.9 | Low | 53 | Low | 145 Ų | 145 | 102 Ų | 102 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -81.4 | -15.5 | -179.8 | -77.5 | -178.1 | 178.1 | 0 | 0 | 113.5 | N9 | N9-E12 HydrophobicContact CB-CG 4.44Å; N9-E12 PolarHBondContact O-N 3.25Å |
| 13 | I | 57.4 | Low | 52.4 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.7 | -23.5 | -178.4 | -55.1 | 174 | 0 | 0 | 0 | 111.4 | ||
| 14 | D | 53.1 | Low | 52.1 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -98.8 | -24.6 | -175.1 | -145.2 | 22.8 | 0 | 0 | 0 | 113.3 | Q16 R17 | D14-Q16 PolarHBondContact O-N 3.09Å; D14-R17 PolarHBondContact O-N 3.21Å; D14-R17 VanDerWaalsContact O-N 3.14Å |
| 15 | V | 52.6 | Low | 51.4 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.8 | -25.7 | -175.4 | 176 | 0 | 0 | 0 | 0 | 113.1 | N11 R17 | N11-V15 WeakPolarHBondContact O-CG2 3.43Å; V15-R17 PolarHBondContact O-N 2.91Å |
| 16 | Q | 50.4 | Low | 50.6 | Low | 181 Ų | 181 | 119.2 Ų | 119.2 | 85% | 0.846 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -6.4 | 171.8 | -73.3 | -162.5 | 26.8 | 0 | 0 | 113.8 | D14 | D14-Q16 PolarHBondContact O-N 3.09Š|
| 17 | R | 48.6 | Very low | 49.5 | Very low | 213 Ų | 213 | 126.6 Ų | 126.6 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -11.8 | -171.8 | -149.3 | 174.1 | -160.2 | 143.5 | 5.4 | 115.3 | D14 V15 | D14-R17 PolarHBondContact O-N 3.21Å; D14-R17 VanDerWaalsContact O-N 3.14Å; V15-R17 PolarHBondContact O-N 2.91Å |
| 18 | K | 45.8 | Very low | 48.8 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 73% | 0.726 | 68% | 0.678 | S | S | * | * | trans | -124.8 | 69.7 | -174 | -67.1 | -175.9 | -177.4 | 170.5 | 0 | 112.5 | ||||
| 19 | N | 38.8 | Very low | 47.8 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | trans | -62.5 | 148.5 | 153.5 | -64 | -31.6 | 0 | 0 | 0 | 109.1 | ||||
| 20 | S | 44.5 | Very low | 46.6 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | 100.2 | 98.3 | 151.3 | -148 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 21 | T | 38.9 | Very low | 45.6 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 86.7 | 110.2 | 119.7 | -44.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 22 | T | 41.1 | Very low | 44.5 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | 72.7 | 144.8 | 140.6 | 43.2 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 23 | D | 35.9 | Very low | 43.8 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -75.9 | 154.1 | -172.9 | -110.3 | -37.7 | 0 | 0 | 0 | 118.3 | ||||
| 24 | E | 44.3 | Very low | 42.9 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | 160.6 | 119 | 124.3 | -96.8 | -171.8 | 160.7 | 0 | 0 | 116.9 | |||||
| 25 | S | 42.8 | Very low | 42.2 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 56.2 | 114 | 136.7 | 64.1 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 26 | I | 43.2 | Very low | 41.7 | Very low | 150 Ų | 150 | 158.3 Ų | 158.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 80.6 | 119.3 | 113.9 | -64.9 | 173.9 | 0 | 0 | 0 | 124.1 | |||||
| 27 | K | 41.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 158.6 Ų | 158.6 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | 93.5 | 114.3 | 138.7 | -78.6 | 175.1 | 176.7 | -177.4 | 0 | 126.1 | ||||
| 28 | H | 42.1 | Very low | 40.8 | Very low | 156 Ų | 156 | 154 Ų | 154 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | 85.6 | 128.9 | 123.1 | -75.3 | -44.5 | 0 | 0 | 0 | 125.5 | |||||
| 29 | Q | 39.6 | Very low | 40.3 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 103 | 134.9 | 138.8 | -80 | -174.2 | 20.3 | 0 | 0 | 121.4 | ||||
| 30 | Y | 35 | Very low | 40.1 | Very low | 226 Ų | 226 | 155.5 Ų | 155.5 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | trans | -95 | 150.4 | -166 | -72 | -99.4 | 0 | 0 | 0 | 112.6 | ||||
| 31 | E | 40.5 | Very low | 39.8 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | 170.5 | 127.2 | 114 | -98.9 | -166.8 | 145.7 | 0 | 0 | 114.9 | |||||
| 32 | K | 39.8 | Very low | 39.7 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 119.5 | 136.8 | -121.2 | 172.6 | -179.9 | 169.6 | 0 | 124.5 | ||||
| 33 | S | 44.6 | Very low | 39.6 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | 91.6 | 114.9 | 132 | 28.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 34 | E | 38.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 96.1 | 105.9 | 128.1 | -72.8 | -174.3 | 173.6 | 0 | 0 | 123.6 | |||||
| 35 | T | 37.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 85.9 | 129.8 | 132.4 | 36 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 36 | K | 41 | Very low | 39.1 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 99.6 | 107.6 | 145.2 | -75.1 | 171.5 | -177.2 | -178.6 | 0 | 120.3 | ||||
| 37 | Q | 40.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 50.5 | 114.7 | 135.5 | -91.1 | 174.9 | -20.4 | 0 | 0 | 119.3 | ||||
| 38 | S | 40.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 177.4 | 142.1 | 123.8 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | K40 | S38-K40 PolarHBondContact O-N 3.44Š| |||
| 39 | N | 35.7 | Very low | 38.5 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -49.2 | 119.1 | -178 | -64.4 | -38.4 | 0 | 0 | 0 | 114.8 | ||||
| 40 | K | 34.6 | Very low | 38.6 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 95.1 | 153.5 | -154.8 | 173.5 | -175.6 | -179.4 | 0 | 108.9 | S38 S42 | S38-K40 PolarHBondContact O-N 3.44Å; K40-S42 PolarHBondContact O-N 3.43Å | ||
| 41 | L | 38 | Very low | 39.2 | Very low | 186 Ų | 186 | 142 Ų | 142 | 97% | 0.974 | 77% | 0.766 | S | S | * | * | trans | -73.2 | 76 | 170.3 | -83.7 | 159.6 | 0 | 0 | 0 | 108.8 | ||||
| 42 | S | 36.6 | Very low | 39.6 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 103.4 | 156 | -66.8 | 0 | 0 | 0 | 0 | 106.8 | K40 T44 | K40-S42 PolarHBondContact O-N 3.43Å; S42-T44 VanDerWaalsContact C-N 3.35Å; S42-T44 PolarHBondContact O-N 3.04Å; S42-T44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | S | 37.9 | Very low | 39.7 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -81.4 | 86.7 | 167.9 | 61 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 44 | T | 35.2 | Very low | 40 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -76.6 | 117 | 165.4 | -60.2 | 0 | 0 | 0 | 0 | 107.5 | S42 N46 | S42-T44 VanDerWaalsContact C-N 3.35Å; S42-T44 PolarHBondContact O-N 3.04Å; S42-T44 VanDerWaalsContact O-N 3.15Å; T44-N46 PolarHBondContact O-N 3.15Å | ||
| 45 | I | 41.2 | Very low | 40.5 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -79 | 101.7 | 172.9 | -60.7 | 164.4 | 0 | 0 | 0 | 106.1 | ||||
| 46 | N | 36.5 | Very low | 41.2 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -106.7 | 125.1 | 157.5 | -76.4 | -8 | 0 | 0 | 0 | 107.2 | T44 D48 | T44-N46 PolarHBondContact O-N 3.15Å; N46-D48 PolarHBondContact O-N 2.83Å | ||
| 47 | S | 34.6 | Very low | 41.7 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -70.7 | 99.5 | -169.9 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | D | 38.8 | Very low | 42.5 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -149.6 | 110.8 | 161 | -88.9 | -40.1 | 0 | 0 | 0 | 107.7 | N46 T50 | N46-D48 PolarHBondContact O-N 2.83Å; D48-T50 WeakPolarHBondContact O-CB 3.24Å; D48-T50 PolarHBondContact O-N 3.4Å; D48-T50 PolarHBondContact O-OG1 2.99Å |
| 49 | N | 40.9 | Very low | 43.8 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 93% | 0.925 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 29 | 21.7 | 157 | -69.4 | -10.4 | 0 | 0 | 0 | 121.1 | I51 | N49-I51 PolarHBondContact O-N 3.24Š|
| 50 | T | 41.7 | Very low | 45.5 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 71% | 0.712 | 66% | 0.662 | S | S | * | * | trans | -95.4 | 109.5 | -174.9 | -47.6 | 0 | 0 | 0 | 0 | 107.4 | D48 | D48-T50 WeakPolarHBondContact O-CB 3.24Å; D48-T50 PolarHBondContact O-N 3.4Å; D48-T50 PolarHBondContact O-OG1 2.99Å | ||
| 51 | I | 48 | Very low | 47.4 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | trans | -43.4 | 127.3 | 169.4 | -60.7 | 170.4 | 0 | 0 | 0 | 107.1 | N49 T53 K128 | N49-I51 PolarHBondContact O-N 3.24Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 2.87Å; I51-K128 HydrophobicContact CD1-CD 3.96Å; I51-K128 HydrophobicContact CD1-CG 4.49Å | ||
| 52 | P | 47.8 | Very low | 49.1 | Very low | 75 Ų | 75 | 113 Ų | 113 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | trans | -59.2 | 104.5 | 175 | 5.3 | -5.7 | 0 | 0 | 0 | 107.4 | Y54 | P52-Y54 HydrophobicContact CB-CD1 4.38Å; P52-Y54 HydrophobicContact CB-CD2 4.44Å; P52-Y54 HydrophobicContact CB-CE1 3.96Å; P52-Y54 HydrophobicContact CB-CE2 4.04Å; P52-Y54 HydrophobicContact CG-CE1 4.28Å; P52-Y54 HydrophobicContact CG-CE2 3.9Å; P52-Y54 WeakPolarHBondContact O-CD2 3.3Å; P52-Y54 WeakPolarHBondContact O-CE2 3.4Å; P52-Y54 PolarHBondContact O-N 3.18Å | ||
| 53 | T | 43 | Very low | 51.1 | Low | 132 Ų | 132 | 112.3 Ų | 112.3 | 81% | 0.81 | 61% | 0.609 | S | S | * | * | trans | -62.8 | 89.1 | 168.1 | -51.8 | 0 | 0 | 0 | 0 | 105 | I51 S55 | I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 2.87Å; T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 3.06Å | ||
| 54 | Y | 50 | Low | 53 | Low | 115 Ų | 115 | 107 Ų | 107 | 45% | 0.451 | 57% | 0.572 | S | S | . | * | trans | -67.9 | 95.9 | 179.6 | -68 | -72.3 | 0 | 0 | 0 | 105.9 | P52 Q56 | P52-Y54 HydrophobicContact CB-CD1 4.38Å; P52-Y54 HydrophobicContact CB-CD2 4.44Å; P52-Y54 HydrophobicContact CB-CE1 3.96Å; P52-Y54 HydrophobicContact CB-CE2 4.04Å; P52-Y54 HydrophobicContact CG-CE1 4.28Å; P52-Y54 HydrophobicContact CG-CE2 3.9Å; P52-Y54 WeakPolarHBondContact O-CD2 3.3Å; P52-Y54 WeakPolarHBondContact O-CE2 3.4Å; P52-Y54 PolarHBondContact O-N 3.18Å; Y54-Q56 PolarHBondContact O-N 3.48Å | ||
| 55 | S | 49.5 | Very low | 55.3 | Low | 90 Ų | 90 | 110.5 Ų | 110.5 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | trans | -49.2 | 123.3 | 163.7 | 58.2 | 0 | 0 | 0 | 0 | 106 | T53 N57 | T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 3.06Å; S55-N57 PolarHBondContact O-N 3.39Å | ||
| 56 | Q | 52.5 | Low | 57.4 | Low | 169 Ų | 169 | 110.8 Ų | 110.8 | 79% | 0.79 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -60.2 | 2.3 | -171.8 | -161.1 | 154.3 | -39 | 0 | 0 | 113.2 | Y54 | Y54-Q56 PolarHBondContact O-N 3.48Š|
| 57 | N | 52.5 | Low | 59.8 | Low | 109 Ų | 109 | 106 Ų | 106 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -104.7 | 111.6 | -165.3 | -59.8 | -28 | 0 | 0 | 0 | 108.9 | S55 | S55-N57 PolarHBondContact O-N 3.39Š|
| 58 | H | 57.8 | Low | 62.3 | Low | 157 Ų | 157 | 102.9 Ų | 102.9 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | trans | 84.3 | 67.4 | 172.3 | -58.3 | -79 | 0 | 0 | 0 | 117.1 | R2 N60 | R2-H58 PolarHBondContact NE-O 3.24Å; R2-H58 PolarHBondContact NH2-O 2.81Å; H58-N60 PolarHBondContact O-N 3.38Å; H58-N60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | L | 66.5 | Low | 64.7 | Low | 47 Ų | 47 | 104.6 Ų | 104.6 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | trans | -57.3 | 115.7 | 143.3 | -84.1 | 159.3 | 0 | 0 | 0 | 109 | R2 L5 I61 L79 | R2-L59 HydrophobicContact CB-CD2 4.05Å; R2-L59 HydrophobicContact CG-CD2 3.38Å; R2-L59 HydrophobicContact CG-CG 4.23Å; L5-L59 HydrophobicContact CB-CD2 4.44Å; L5-L59 HydrophobicContact CD1-CD1 4.04Å; L5-L59 HydrophobicContact CD1-CD2 3.7Å; L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 HydrophobicContact CB-CG1 4.42Å; L59-I61 PolarHBondContact O-N 3.32Å; L59-L79 HydrophobicContact CD1-CB 4.46Å; L59-L79 HydrophobicContact CD1-CD1 3.07Å; L59-L79 HydrophobicContact CD1-CG 4.31Å | ||
| 60 | N | 71.8 | Confident | 67.1 | Low | 58 Ų | 58 | 99.1 Ų | 99.1 | 31% | 0.31 | 50% | 0.496 | S | S | . | . | trans | -83.3 | 85.8 | 175.7 | -171.9 | -14 | 0 | 0 | 0 | 108.3 | H58 K62 K63 | H58-N60 PolarHBondContact O-N 3.38Å; H58-N60 VanDerWaalsContact O-N 3.12Å; N60-K62 PolarHBondContact O-N 3Å; N60-K62 VanDerWaalsContact O-N 3.1Å; N60-K62 VanDerWaalsContact OD1-CB 3.26Å; N60-K62 WeakPolarHBondContact OD1-CB 3.32Å; N60-K62 PolarHBondContact OD1-N 3.04Å; N60-K63 HydrophobicContact CB-CD 4Å; N60-K63 HydrophobicContact CB-CG 4.07Å; N60-K63 WeakPolarHBondContact O-CB 3.43Å; N60-K63 PolarHBondContact O-N 3.18Å | ||
| 61 | I | 75 | Confident | 69.4 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 16% | 0.159 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -59.9 | -22.6 | -178.8 | -63.6 | -175.9 | 0 | 0 | 0 | 111.9 | L59 K63 L64 R72 I75 Y76 | L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 HydrophobicContact CB-CG1 4.42Å; L59-I61 PolarHBondContact O-N 3.32Å; I61-K63 PolarHBondContact O-N 2.98Å; I61-L64 HydrophobicContact CB-CD1 4.25Å; I61-L64 HydrophobicContact CG1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.11Å; I61-L64 WeakPolarHBondContact O-CB 3.49Å; I61-L64 WeakPolarHBondContact O-CG 3.49Å; I61-L64 PolarHBondContact O-N 3.28Å; I61-L64 VanDerWaalsContact O-N 3.13Å; I61-R72 HydrophobicContact CG2-CB 3.68Å; I61-R72 HydrophobicContact CG2-CG 3.87Å; I61-I75 HydrophobicContact CD1-CG2 4.43Å; I61-Y76 HydrophobicContact CD1-CD2 3.44Å; I61-Y76 VanDerWaalsContact CD1-CD2 3.44Å; I61-Y76 HydrophobicContact CD1-CG 3.79Å |
| 62 | K | 73.3 | Confident | 71.4 | Confident | 181 Ų | 181 | 92.7 Ų | 92.7 | 79% | 0.787 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -66.8 | -22.7 | 174.1 | -54.4 | -177.4 | 176.6 | -179.7 | 0 | 112.6 | N60 L64 | N60-K62 PolarHBondContact O-N 3Å; N60-K62 VanDerWaalsContact O-N 3.1Å; N60-K62 VanDerWaalsContact OD1-CB 3.26Å; N60-K62 WeakPolarHBondContact OD1-CB 3.32Å; N60-K62 PolarHBondContact OD1-N 3.04Å; K62-L64 VanDerWaalsContact C-N 3.33Å |
| 63 | K | 77.9 | Confident | 73.5 | Confident | 64 Ų | 64 | 95 Ų | 95 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -78.8 | -14.4 | 174.1 | -66.8 | -177.5 | 158 | -144.8 | 0 | 113.3 | T6 E8 N60 I61 K65 | T6-K63 HydrophobicContact CG2-CB 3.98Å; E8-K63 WeakPolarHBondContact OE2-CD 3.3Å; E8-K63 WeakPolarHBondContact OE2-CE 3.49Å; E8-K63 IonicContact OE2-NZ 2.73Å; E8-K63 PolarHBondContact OE2-NZ 3.3Å; N60-K63 HydrophobicContact CB-CD 4Å; N60-K63 HydrophobicContact CB-CG 4.07Å; N60-K63 WeakPolarHBondContact O-CB 3.43Å; N60-K63 PolarHBondContact O-N 3.18Å; I61-K63 PolarHBondContact O-N 2.98Å; K63-K65 PolarHBondContact O-N 3.08Å |
| 64 | L | 78.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 91.2 Ų | 91.2 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | trans | -76.9 | 54.9 | 179.4 | -50.9 | -177.3 | 0 | 0 | 0 | 112.3 | L5 T6 I61 K62 R66 F67 R72 I75 | L5-L64 HydrophobicContact CB-CD1 4.25Å; L5-L64 HydrophobicContact CB-CD2 3.46Å; L5-L64 VanDerWaalsContact CB-CD2 3.46Å; L5-L64 WeakPolarHBondContact O-CD2 3.39Å; T6-L64 HydrophobicContact CG2-CD2 3.45Å; T6-L64 VanDerWaalsContact CG2-CD2 3.45Å; T6-L64 HydrophobicContact CG2-CG 4.42Å; I61-L64 HydrophobicContact CB-CD1 4.25Å; I61-L64 HydrophobicContact CG1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.11Å; I61-L64 WeakPolarHBondContact O-CB 3.49Å; I61-L64 WeakPolarHBondContact O-CG 3.49Å; I61-L64 PolarHBondContact O-N 3.28Å; I61-L64 VanDerWaalsContact O-N 3.13Å; K62-L64 VanDerWaalsContact C-N 3.33Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.14Å; L64-F67 HydrophobicContact CB-CB 4.26Å; L64-F67 HydrophobicContact CB-CD2 3.88Å; L64-F67 HydrophobicContact CB-CG 4.38Å; L64-F67 HydrophobicContact CD2-CD2 4.43Å; L64-F67 PolarHBondContact O-N 3.3Å; L64-R72 HydrophobicContact CB-CG 3.95Å; L64-R72 HydrophobicContact CD1-CG 4.32Å; L64-R72 WeakPolarHBondContact O-CD 3.08Å; L64-I75 HydrophobicContact CD1-CD1 4.09Å; L64-I75 HydrophobicContact CD1-CG2 4.45Å | ||
| 65 | K | 83.2 | Confident | 77.7 | Confident | 184 Ų | 184 | 86.5 Ų | 86.5 | 80% | 0.8 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -29.2 | -171.9 | -67.8 | -175.9 | -179.9 | 178.1 | 0 | 113.6 | K63 F67 | K63-K65 PolarHBondContact O-N 3.08Å; K65-F67 VanDerWaalsContact C-N 3.29Å; K65-F67 PolarHBondContact O-N 2.75Å |
| 66 | R | 85.4 | Confident | 79.7 | Confident | 142 Ų | 142 | 88.8 Ų | 88.8 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.8 | 178.5 | -61.4 | -170.1 | -175.5 | -135.6 | 3.8 | 113.7 | L64 V111 I112 I113 | L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.14Å; R66-V111 HydrophobicContact CB-CG1 4.34Å; R66-I112 PolarHBondContact NH1-O 3.46Å; R66-I112 VanDerWaalsContact NH1-O 3.13Å; R66-I113 HydrophobicContact CB-CG1 4.35Å |
| 67 | F | 86.6 | Confident | 81.6 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -89.6 | 137.7 | -179.5 | -72.9 | -94.8 | 0 | 0 | 0 | 111.2 | L5 L64 K65 A71 R72 I75 I113 | L5-F67 HydrophobicContact CD2-CZ 4.34Å; L5-F67 WeakPolarHBondContact O-CE2 3.32Å; L64-F67 HydrophobicContact CB-CB 4.26Å; L64-F67 HydrophobicContact CB-CD2 3.88Å; L64-F67 HydrophobicContact CB-CG 4.38Å; L64-F67 HydrophobicContact CD2-CD2 4.43Å; L64-F67 PolarHBondContact O-N 3.3Å; K65-F67 VanDerWaalsContact C-N 3.29Å; K65-F67 PolarHBondContact O-N 2.75Å; F67-A71 HydrophobicContact CB-CB 4.14Å; F67-A71 HydrophobicContact CD1-CB 3.99Å; F67-R72 HydrophobicContact CB-CG 3.87Å; F67-R72 PolarHBondContact O-NE 2.73Å; F67-I75 HydrophobicContact CD1-CD1 4.28Å; F67-I75 HydrophobicContact CE1-CD1 4.46Å; F67-I113 HydrophobicContact CD1-CD1 4.28Å; F67-I113 HydrophobicContact CE1-CD1 3.91Å; F67-I113 HydrophobicContact CE2-CD1 4.18Å; F67-I113 HydrophobicContact CZ-CD1 3.86Å |
| 68 | S | 88.4 | Confident | 83.4 | Confident | 45 Ų | 45 | 79 Ų | 79 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | trans | -57.2 | 156.2 | 172.7 | 73 | 0 | 0 | 0 | 0 | 111.1 | P70 A71 R72 | S68-P70 VanDerWaalsContact C-N 3.34Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-A71 WeakPolarHBondContact OG-CB 3.08Å; S68-A71 PolarHBondContact OG-N 3.27Å; S68-R72 PolarHBondContact O-N 3.25Å | ||
| 69 | K | 89.4 | Confident | 84.8 | Confident | 168 Ų | 168 | 75 Ų | 75 | 73% | 0.73 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.8 | -44 | 176.8 | -67 | 176.5 | -178.3 | 172.6 | 0 | 111.8 | R72 K73 | K69-R72 PolarHBondContact O-N 2.82Å; K69-K73 PolarHBondContact O-N 3.25Å |
| 70 | P | 90.8 | Very high | 85.9 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.7 | -23.7 | 35.1 | 0 | 0 | 0 | 113.7 | S68 R72 K73 F74 W97 | S68-P70 VanDerWaalsContact C-N 3.34Å; P70-R72 PolarHBondContact O-N 3.17Å; P70-K73 WeakPolarHBondContact O-CB 3.49Å; P70-K73 PolarHBondContact O-N 3.47Å; P70-F74 PolarHBondContact O-N 3.12Å; P70-W97 HydrophobicContact CB-CB 3.63Å; P70-W97 HydrophobicContact CB-CD2 4.46Å; P70-W97 HydrophobicContact CB-CG 3.63Å |
| 71 | A | 89.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F67 S68 K73 F74 I75 W97 | F67-A71 HydrophobicContact CB-CB 4.14Å; F67-A71 HydrophobicContact CD1-CB 3.99Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-A71 WeakPolarHBondContact OG-CB 3.08Å; S68-A71 PolarHBondContact OG-N 3.27Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.84Å; A71-F74 WeakPolarHBondContact O-CB 3.49Å; A71-F74 PolarHBondContact O-N 3.31Å; A71-I75 WeakPolarHBondContact O-CD1 3.36Å; A71-I75 WeakPolarHBondContact O-CG1 3.43Å; A71-I75 PolarHBondContact O-N 3.2Å; A71-W97 HydrophobicContact CB-CD2 4.48Å; A71-W97 HydrophobicContact CB-CH2 4.22Å; A71-W97 HydrophobicContact CB-CZ2 3.36Å |
| 72 | R | 90.3 | Very high | 87.3 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 175.4 | -77.1 | -173.8 | -81.9 | 165.5 | -5.7 | 112.4 | I61 L64 F67 S68 K69 P70 Y76 | I61-R72 HydrophobicContact CG2-CB 3.68Å; I61-R72 HydrophobicContact CG2-CG 3.87Å; L64-R72 HydrophobicContact CB-CG 3.95Å; L64-R72 HydrophobicContact CD1-CG 4.32Å; L64-R72 WeakPolarHBondContact O-CD 3.08Å; F67-R72 HydrophobicContact CB-CG 3.87Å; F67-R72 PolarHBondContact O-NE 2.73Å; S68-R72 PolarHBondContact O-N 3.25Å; K69-R72 PolarHBondContact O-N 2.82Å; P70-R72 PolarHBondContact O-N 3.17Å; R72-Y76 WeakPolarHBondContact O-CB 3.27Å; R72-Y76 PolarHBondContact O-N 3.22Å |
| 73 | K | 91.3 | Very high | 88.2 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.3 | -176.9 | 176.7 | 178.7 | -179.1 | 0 | 111.5 | K69 P70 A71 Y76 N77 W92 | K69-K73 PolarHBondContact O-N 3.25Å; P70-K73 WeakPolarHBondContact O-CB 3.49Å; P70-K73 PolarHBondContact O-N 3.47Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.84Å; K73-Y76 PolarHBondContact O-N 3.05Å; K73-N77 WeakPolarHBondContact O-CB 3.43Å; K73-N77 PolarHBondContact O-N 3.06Å; K73-W92 HydrophobicContact CG-CH2 4.46Å |
| 74 | F | 92.5 | Very high | 88.9 | Confident | 53 Ų | 53 | 80.6 Ų | 80.6 | 23% | 0.232 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.3 | -55.3 | 174.6 | 174.9 | -103.1 | 0 | 0 | 0 | 111.5 | P70 A71 Y76 N77 C78 W92 W97 F98 | P70-F74 PolarHBondContact O-N 3.12Å; A71-F74 WeakPolarHBondContact O-CB 3.49Å; A71-F74 PolarHBondContact O-N 3.31Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.34Å; F74-N77 PolarHBondContact O-N 3.23Å; F74-C78 WeakPolarHBondContact CE2-SG 3.47Å; F74-C78 VanDerWaalsContact CZ-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.33Å; F74-C78 PolarHBondContact O-N 3.05Å; F74-C78 PolarHBondContact O-SG 2.82Å; F74-C78 VanDerWaalsContact O-SG 3.34Å; F74-W92 VanDerWaalsContact CA-CH2 3.48Å; F74-W92 HydrophobicContact CB-CE3 4.46Å; F74-W92 HydrophobicContact CB-CH2 4.19Å; F74-W92 HydrophobicContact CB-CZ3 4Å; F74-W92 AromaticContact CD2-CD2 3.56Å; F74-W92 HydrophobicContact CD2-CD2 3.56Å; F74-W92 AromaticContact CD2-CE2 3.78Å; F74-W92 AromaticContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CG 4.06Å; F74-W92 HydrophobicContact CD2-CH2 4.2Å; F74-W92 HydrophobicContact CD2-CZ2 4.12Å; F74-W92 AromaticContact CD2-CZ3 3.96Å; F74-W92 HydrophobicContact CD2-CZ3 3.96Å; F74-W92 AromaticContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CE3 4.47Å; F74-W92 AromaticContact CE2-CG 4Å; F74-W92 HydrophobicContact CE2-CG 4Å; F74-W97 HydrophobicContact CB-CE3 3.73Å; F74-W97 HydrophobicContact CB-CH2 4.15Å; F74-W97 HydrophobicContact CB-CZ3 3.45Å; F74-W97 VanDerWaalsContact CB-CZ3 3.45Å; F74-W97 HydrophobicContact CD1-CE3 4.31Å; F74-W97 AromaticContact CD1-CH2 3.59Å; F74-W97 HydrophobicContact CD1-CH2 3.59Å; F74-W97 AromaticContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD2-CE3 4.24Å; F74-W97 AromaticContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CE1-CH2 4.19Å; F74-W97 AromaticContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE2-CZ3 4.33Å; F74-W97 AromaticContact CG-CE3 3.85Å; F74-W97 HydrophobicContact CG-CE3 3.85Å; F74-W97 AromaticContact CG-CH2 3.97Å; F74-W97 HydrophobicContact CG-CH2 3.97Å; F74-W97 AromaticContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CZ-CZ3 4.35Å; F74-F98 AromaticContact CD2-CE2 3.76Å; F74-F98 HydrophobicContact CD2-CE2 3.76Å; F74-F98 AromaticContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CE1-CZ 4.45Å; F74-F98 AromaticContact CE2-CE2 3.8Å; F74-F98 HydrophobicContact CE2-CE2 3.8Å; F74-F98 AromaticContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CE2-CZ 3.48Å; F74-F98 VanDerWaalsContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CG-CE2 4.48Å; F74-F98 HydrophobicContact CG-CZ 4.45Å; F74-F98 AromaticContact CZ-CZ 3.82Å; F74-F98 HydrophobicContact CZ-CZ 3.82Å |
| 75 | I | 90.1 | Very high | 89.6 | Confident | 15 Ų | 15 | 87 Ų | 87 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 179.2 | -66.4 | 156.8 | 0 | 0 | 0 | 111.3 | L5 I61 L64 F67 A71 N77 L79 | L5-I75 HydrophobicContact CD1-CG2 3.71Å; L5-I75 HydrophobicContact CD2-CD1 3.5Å; L5-I75 HydrophobicContact CD2-CG1 4.08Å; L5-I75 HydrophobicContact CD2-CG2 4.44Å; I61-I75 HydrophobicContact CD1-CG2 4.43Å; L64-I75 HydrophobicContact CD1-CD1 4.09Å; L64-I75 HydrophobicContact CD1-CG2 4.45Å; F67-I75 HydrophobicContact CD1-CD1 4.28Å; F67-I75 HydrophobicContact CE1-CD1 4.46Å; A71-I75 WeakPolarHBondContact O-CD1 3.36Å; A71-I75 WeakPolarHBondContact O-CG1 3.43Å; A71-I75 PolarHBondContact O-N 3.2Å; I75-N77 VanDerWaalsContact C-N 3.35Å; I75-N77 PolarHBondContact O-N 2.91Å; I75-L79 HydrophobicContact CG2-CD1 3.74Å; I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.47Å; I75-L79 VanDerWaalsContact O-N 3.14Å |
| 76 | Y | 89.9 | Confident | 90 | Very high | 139 Ų | 139 | 83.1 Ų | 83.1 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 179.4 | -177.2 | -112.4 | 0 | 0 | 0 | 112.6 | I61 R72 K73 F74 N80 | I61-Y76 HydrophobicContact CD1-CD2 3.44Å; I61-Y76 VanDerWaalsContact CD1-CD2 3.44Å; I61-Y76 HydrophobicContact CD1-CG 3.79Å; R72-Y76 WeakPolarHBondContact O-CB 3.27Å; R72-Y76 PolarHBondContact O-N 3.22Å; K73-Y76 PolarHBondContact O-N 3.05Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.34Å; Y76-N80 PolarHBondContact O-N 2.98Å |
| 77 | N | 92 | Very high | 90.4 | Very high | 29 Ų | 29 | 78.1 Ų | 78.1 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.7 | -49.2 | -177.2 | -75.7 | -0.1 | 0 | 0 | 0 | 110.4 | K73 F74 I75 L79 N80 R86 W92 | K73-N77 WeakPolarHBondContact O-CB 3.43Å; K73-N77 PolarHBondContact O-N 3.06Å; F74-N77 PolarHBondContact O-N 3.23Å; I75-N77 VanDerWaalsContact C-N 3.35Å; I75-N77 PolarHBondContact O-N 2.91Å; N77-L79 PolarHBondContact O-N 2.99Å; N77-L79 VanDerWaalsContact O-N 3.17Å; N77-N80 WeakPolarHBondContact O-CB 3.04Å; N77-N80 PolarHBondContact O-N 2.73Å; N77-R86 VanDerWaalsContact O-CA 3.25Å; N77-R86 WeakPolarHBondContact O-CA 3.47Å; N77-R86 WeakPolarHBondContact O-CG 3.32Å; N77-W92 HydrophobicContact CB-CH2 3.93Å; N77-W92 HydrophobicContact CB-CZ2 3.48Å; N77-W92 VanDerWaalsContact CB-CZ2 3.48Å; N77-W92 WeakPolarHBondContact ND2-CH2 3.37Å |
| 78 | C | 91.2 | Very high | 90.8 | Very high | 43 Ų | 43 | 80.3 Ų | 80.3 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | -178.7 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | F74 N80 | F74-C78 WeakPolarHBondContact CE2-SG 3.47Å; F74-C78 VanDerWaalsContact CZ-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.33Å; F74-C78 PolarHBondContact O-N 3.05Å; F74-C78 PolarHBondContact O-SG 2.82Å; F74-C78 VanDerWaalsContact O-SG 3.34Å; C78-N80 VanDerWaalsContact C-N 3.32Å |
| 79 | L | 88 | Confident | 91 | Very high | 72 Ų | 72 | 83.2 Ų | 83.2 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 9.6 | -179.2 | -56.8 | 175.7 | 0 | 0 | 0 | 113 | M1 L5 L59 I75 N77 S81 | M1-L79 HydrophobicContact CE-CD1 4.42Å; M1-L79 HydrophobicContact CE-CD2 3.76Å; L5-L79 HydrophobicContact CD1-CD1 4.4Å; L59-L79 HydrophobicContact CD1-CB 4.46Å; L59-L79 HydrophobicContact CD1-CD1 3.07Å; L59-L79 HydrophobicContact CD1-CG 4.31Å; I75-L79 HydrophobicContact CG2-CD1 3.74Å; I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.47Å; I75-L79 VanDerWaalsContact O-N 3.14Å; N77-L79 PolarHBondContact O-N 2.99Å; N77-L79 VanDerWaalsContact O-N 3.17Å; L79-S81 PolarHBondContact O-N 2.73Å |
| 80 | N | 88.2 | Confident | 91.3 | Very high | 36 Ų | 36 | 80.4 Ų | 80.4 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | trans | -67.2 | 130.9 | 175.5 | -160.6 | -60.2 | 0 | 0 | 0 | 110.4 | Y76 N77 C78 S82 K85 R86 | Y76-N80 PolarHBondContact O-N 2.98Å; N77-N80 WeakPolarHBondContact O-CB 3.04Å; N77-N80 PolarHBondContact O-N 2.73Å; C78-N80 VanDerWaalsContact C-N 3.32Å; N80-S82 PolarHBondContact O-N 2.67Å; N80-S82 WeakPolarHBondContact OD1-CB 3.49Å; N80-S82 PolarHBondContact OD1-N 2.84Å; N80-K85 HydrophobicContact CB-CB 4.05Å; N80-R86 HydrophobicContact CB-CG 4.4Å; N80-R86 PolarHBondContact O-NE 3.17Å; N80-R86 PolarHBondContact O-NH2 3.13Å | ||
| 81 | S | 88.2 | Confident | 91.5 | Very high | 87 Ų | 87 | 82.4 Ų | 82.4 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -58.2 | -34 | 177.1 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | L79 P83 | L79-S81 PolarHBondContact O-N 2.73Å; S81-P83 WeakPolarHBondContact O-CD 2.87Å |
| 82 | S | 89.5 | Confident | 91.7 | Very high | 50 Ų | 50 | 83.2 Ų | 83.2 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -81.9 | 116.3 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | N80 R84 K85 | N80-S82 PolarHBondContact O-N 2.67Å; N80-S82 WeakPolarHBondContact OD1-CB 3.49Å; N80-S82 PolarHBondContact OD1-N 2.84Å; S82-R84 PolarHBondContact O-N 3.04Å; S82-K85 PolarHBondContact O-N 3.12Å |
| 83 | P | 91.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 84.8 Ų | 84.8 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -57.2 | -35.3 | 179.6 | -26.1 | 35.7 | 0 | 0 | 0 | 113.2 | S81 K85 R86 | S81-P83 WeakPolarHBondContact O-CD 2.87Å; P83-K85 PolarHBondContact O-N 2.9Å; P83-K85 VanDerWaalsContact O-N 3.11Å; P83-R86 WeakPolarHBondContact O-CB 3.34Å; P83-R86 PolarHBondContact O-N 3.33Å |
| 84 | R | 92.1 | Very high | 91.9 | Very high | 237 Ų | 237 | 85.7 Ų | 85.7 | 89% | 0.894 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.2 | 179.1 | -63.9 | -176.9 | -176.7 | -91.3 | 1.6 | 113.4 | S82 | S82-R84 PolarHBondContact O-N 3.04Š|
| 85 | K | 92 | Very high | 91.9 | Very high | 137 Ų | 137 | 84.9 Ų | 84.9 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -96.4 | -3.4 | 179.6 | -61.4 | -62.5 | -173.8 | -177.1 | 0 | 113.4 | N80 S82 P83 | N80-K85 HydrophobicContact CB-CB 4.05Å; S82-K85 PolarHBondContact O-N 3.12Å; P83-K85 PolarHBondContact O-N 2.9Å; P83-K85 VanDerWaalsContact O-N 3.11Å |
| 86 | R | 93.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 89 Ų | 89 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -75.8 | -22.9 | -175.8 | -60.1 | -176.8 | -172.9 | 170.2 | 5 | 114.4 | N77 N80 P83 W92 | N77-R86 VanDerWaalsContact O-CA 3.25Å; N77-R86 WeakPolarHBondContact O-CA 3.47Å; N77-R86 WeakPolarHBondContact O-CG 3.32Å; N80-R86 HydrophobicContact CB-CG 4.4Å; N80-R86 PolarHBondContact O-NE 3.17Å; N80-R86 PolarHBondContact O-NH2 3.13Å; P83-R86 WeakPolarHBondContact O-CB 3.34Å; P83-R86 PolarHBondContact O-N 3.33Å; R86-W92 PolarHBondContact O-NE1 2.9Å |
| 87 | G | 92.1 | Very high | 91.8 | Very high | 36 Ų | 36 | 85.2 Ų | 85.2 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | trans | 79.4 | 148.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 88 | T | 95 | Very high | 91.8 | Very high | 87 Ų | 87 | 87.3 Ų | 87.3 | 53% | 0.534 | 46% | 0.457 | S | S | . | . | trans | -80.7 | 167.4 | 173.1 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | D90 F91 W92 | T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; T88-F91 WeakPolarHBondContact O-CB 3.26Å; T88-F91 PolarHBondContact O-N 3.46Å; T88-F91 WeakPolarHBondContact OG1-CB 3.35Å; T88-F91 PolarHBondContact OG1-N 3.5Å; T88-W92 PolarHBondContact O-N 3.47Å | ||
| 89 | V | 94.3 | Very high | 91.8 | Very high | 106 Ų | 106 | 87.6 Ų | 87.6 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.3 | -47.7 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | F91 W92 L93 | V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 3.31Å; V89-W92 PolarHBondContact O-N 3.13Å; V89-L93 HydrophobicContact CG1-CD1 3.74Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.34Å |
| 90 | D | 95.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 91.4 Ų | 91.4 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.4 | -39.3 | 179.3 | -51 | -61.6 | 0 | 0 | 0 | 112.5 | T88 W92 L93 N94 | T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; D90-W92 VanDerWaalsContact C-N 3.3Å; D90-W92 PolarHBondContact O-N 3.34Å; D90-L93 PolarHBondContact O-N 2.98Å; D90-N94 WeakPolarHBondContact O-CB 3.45Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 3.44Å; D90-N94 VanDerWaalsContact O-N 3.08Å; D90-N94 PolarHBondContact O-ND2 3.18Å |
| 91 | F | 93.8 | Very high | 92.1 | Very high | 99 Ų | 99 | 94.4 Ų | 94.4 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.6 | 171 | -93.1 | 0 | 0 | 0 | 111.8 | T88 V89 | T88-F91 WeakPolarHBondContact O-CB 3.26Å; T88-F91 PolarHBondContact O-N 3.46Å; T88-F91 WeakPolarHBondContact OG1-CB 3.35Å; T88-F91 PolarHBondContact OG1-N 3.5Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 3.31Å |
| 92 | W | 94.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 93.5 Ų | 93.5 | 8% | 0.08 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -75.8 | -41.9 | -179.4 | -70.8 | 119.5 | 0 | 0 | 0 | 112.7 | K73 F74 N77 R86 T88 V89 D90 N94 S95 F98 | K73-W92 HydrophobicContact CG-CH2 4.46Å; F74-W92 VanDerWaalsContact CA-CH2 3.48Å; F74-W92 HydrophobicContact CB-CE3 4.46Å; F74-W92 HydrophobicContact CB-CH2 4.19Å; F74-W92 HydrophobicContact CB-CZ3 4Å; F74-W92 AromaticContact CD2-CD2 3.56Å; F74-W92 HydrophobicContact CD2-CD2 3.56Å; F74-W92 AromaticContact CD2-CE2 3.78Å; F74-W92 AromaticContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CG 4.06Å; F74-W92 HydrophobicContact CD2-CH2 4.2Å; F74-W92 HydrophobicContact CD2-CZ2 4.12Å; F74-W92 AromaticContact CD2-CZ3 3.96Å; F74-W92 HydrophobicContact CD2-CZ3 3.96Å; F74-W92 AromaticContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CE3 4.47Å; F74-W92 AromaticContact CE2-CG 4Å; F74-W92 HydrophobicContact CE2-CG 4Å; N77-W92 HydrophobicContact CB-CH2 3.93Å; N77-W92 HydrophobicContact CB-CZ2 3.48Å; N77-W92 VanDerWaalsContact CB-CZ2 3.48Å; N77-W92 WeakPolarHBondContact ND2-CH2 3.37Å; R86-W92 PolarHBondContact O-NE1 2.9Å; T88-W92 PolarHBondContact O-N 3.47Å; V89-W92 PolarHBondContact O-N 3.13Å; D90-W92 VanDerWaalsContact C-N 3.3Å; D90-W92 PolarHBondContact O-N 3.34Å; W92-N94 PolarHBondContact O-N 3.14Å; W92-S95 WeakPolarHBondContact O-CB 3.33Å; W92-S95 PolarHBondContact O-N 3.22Å; W92-F98 HydrophobicContact CB-CD2 4.18Å; W92-F98 HydrophobicContact CB-CE2 3.8Å; W92-F98 HydrophobicContact CE3-CE2 4.25Å; W92-F98 HydrophobicContact CG-CE2 4.38Å; W92-F98 WeakPolarHBondContact O-CD2 3.38Å |
| 93 | L | 93.3 | Very high | 92.4 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -29.7 | 177.5 | -67.1 | -179.5 | 0 | 0 | 0 | 112.3 | V89 D90 S95 | V89-L93 HydrophobicContact CG1-CD1 3.74Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.34Å; D90-L93 PolarHBondContact O-N 2.98Å; L93-S95 PolarHBondContact O-N 3.45Å |
| 94 | N | 92.6 | Very high | 92.4 | Very high | 142 Ų | 142 | 93.8 Ų | 93.8 | 76% | 0.759 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -2.6 | 172.6 | -70.6 | -34.4 | 0 | 0 | 0 | 114.1 | D90 W92 | D90-N94 WeakPolarHBondContact O-CB 3.45Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 3.44Å; D90-N94 VanDerWaalsContact O-N 3.08Å; D90-N94 PolarHBondContact O-ND2 3.18Å; W92-N94 PolarHBondContact O-N 3.14Å |
| 95 | S | 91.2 | Very high | 92.4 | Very high | 37 Ų | 37 | 85.2 Ų | 85.2 | 26% | 0.259 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -81.1 | 139.9 | 177.4 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | W92 L93 W97 F98 | W92-S95 WeakPolarHBondContact O-CB 3.33Å; W92-S95 PolarHBondContact O-N 3.22Å; L93-S95 PolarHBondContact O-N 3.45Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 PolarHBondContact OG-N 3.24Å; S95-F98 PolarHBondContact O-N 3.4Å |
| 96 | N | 88.2 | Confident | 92.3 | Very high | 101 Ų | 101 | 83.5 Ų | 83.5 | 54% | 0.54 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -57.8 | -19.5 | 171.8 | -166.8 | 65.7 | 0 | 0 | 0 | 113.2 | F98 N99 N104 | N96-F98 PolarHBondContact O-N 2.98Å; N96-N99 WeakPolarHBondContact O-CB 3.46Å; N96-N99 PolarHBondContact O-N 3.33Å; N96-N99 PolarHBondContact OD1-ND2 3.02Å; N96-N104 PolarHBondContact ND2-OD1 3.38Å; N96-N104 VanDerWaalsContact ND2-OD1 3.1Å; N96-N104 PolarHBondContact O-ND2 2.87Å; N96-N104 PolarHBondContact O-OD1 3.46Å |
| 97 | W | 90.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 84 Ų | 84 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -66.7 | -27 | 175.2 | -167.1 | 49.4 | 0 | 0 | 0 | 113.4 | P70 A71 F74 S95 | P70-W97 HydrophobicContact CB-CB 3.63Å; P70-W97 HydrophobicContact CB-CD2 4.46Å; P70-W97 HydrophobicContact CB-CG 3.63Å; A71-W97 HydrophobicContact CB-CD2 4.48Å; A71-W97 HydrophobicContact CB-CH2 4.22Å; A71-W97 HydrophobicContact CB-CZ2 3.36Å; F74-W97 HydrophobicContact CB-CE3 3.73Å; F74-W97 HydrophobicContact CB-CH2 4.15Å; F74-W97 HydrophobicContact CB-CZ3 3.45Å; F74-W97 VanDerWaalsContact CB-CZ3 3.45Å; F74-W97 HydrophobicContact CD1-CE3 4.31Å; F74-W97 AromaticContact CD1-CH2 3.59Å; F74-W97 HydrophobicContact CD1-CH2 3.59Å; F74-W97 AromaticContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD2-CE3 4.24Å; F74-W97 AromaticContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CE1-CH2 4.19Å; F74-W97 AromaticContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE2-CZ3 4.33Å; F74-W97 AromaticContact CG-CE3 3.85Å; F74-W97 HydrophobicContact CG-CE3 3.85Å; F74-W97 AromaticContact CG-CH2 3.97Å; F74-W97 HydrophobicContact CG-CH2 3.97Å; F74-W97 AromaticContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CZ-CZ3 4.35Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 PolarHBondContact OG-N 3.24Å |
| 98 | F | 92.4 | Very high | 91.9 | Very high | 73 Ų | 73 | 85.5 Ų | 85.5 | 32% | 0.32 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -99.2 | 5.7 | 176.5 | -72.9 | -84 | 0 | 0 | 0 | 113 | F74 W92 S95 N96 L100 | F74-F98 AromaticContact CD2-CE2 3.76Å; F74-F98 HydrophobicContact CD2-CE2 3.76Å; F74-F98 AromaticContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CE1-CZ 4.45Å; F74-F98 AromaticContact CE2-CE2 3.8Å; F74-F98 HydrophobicContact CE2-CE2 3.8Å; F74-F98 AromaticContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CE2-CZ 3.48Å; F74-F98 VanDerWaalsContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CG-CE2 4.48Å; F74-F98 HydrophobicContact CG-CZ 4.45Å; F74-F98 AromaticContact CZ-CZ 3.82Å; F74-F98 HydrophobicContact CZ-CZ 3.82Å; W92-F98 HydrophobicContact CB-CD2 4.18Å; W92-F98 HydrophobicContact CB-CE2 3.8Å; W92-F98 HydrophobicContact CE3-CE2 4.25Å; W92-F98 HydrophobicContact CG-CE2 4.38Å; W92-F98 WeakPolarHBondContact O-CD2 3.38Å; S95-F98 PolarHBondContact O-N 3.4Å; N96-F98 PolarHBondContact O-N 2.98Å; F98-L100 PolarHBondContact O-N 3.19Å |
| 99 | N | 91 | Very high | 91.5 | Very high | 50 Ų | 50 | 85.8 Ų | 85.8 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | trans | -70.7 | 121.9 | 176.6 | -176.2 | -7.4 | 0 | 0 | 0 | 110.5 | N96 N101 N104 | N96-N99 WeakPolarHBondContact O-CB 3.46Å; N96-N99 PolarHBondContact O-N 3.33Å; N96-N99 PolarHBondContact OD1-ND2 3.02Å; N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact ND2-ND2 3.25Å; N99-N101 PolarHBondContact O-N 3.17Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.04Å; N99-N101 PolarHBondContact OD1-ND2 2.69Å; N99-N101 PolarHBondContact OD1-OD1 3.29Å; N99-N104 PolarHBondContact O-ND2 3.2Å | ||
| 100 | L | 90 | Very high | 91.2 | Very high | 151 Ų | 151 | 84.9 Ų | 84.9 | 79% | 0.791 | 46% | 0.463 | S | S | * | . | trans | -88.3 | 8.9 | -176.2 | -61.6 | 178.3 | 0 | 0 | 0 | 114.2 | F98 A102 | F98-L100 PolarHBondContact O-N 3.19Å; L100-A102 PolarHBondContact O-N 2.95Å | ||
| 101 | N | 92.8 | Very high | 90.9 | Very high | 100 Ų | 100 | 83.3 Ų | 83.3 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | trans | -57.1 | 139.2 | 173.5 | -68.4 | -10.8 | 0 | 0 | 0 | 111.2 | N99 D103 N104 V105 | N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact ND2-ND2 3.25Å; N99-N101 PolarHBondContact O-N 3.17Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.04Å; N99-N101 PolarHBondContact OD1-ND2 2.69Å; N99-N101 PolarHBondContact OD1-OD1 3.29Å; N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 3Å; N101-N104 WeakPolarHBondContact O-CA 3.38Å; N101-N104 WeakPolarHBondContact O-CB 3.45Å; N101-N104 PolarHBondContact O-N 3.26Å; N101-V105 PolarHBondContact O-N 3.08Å | ||
| 102 | A | 91.8 | Very high | 90.5 | Very high | 68 Ų | 68 | 85.3 Ų | 85.3 | 56% | 0.562 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -52.7 | -44.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L100 N104 V105 N106 | L100-A102 PolarHBondContact O-N 2.95Å; A102-N104 VanDerWaalsContact C-N 3.32Å; A102-N104 PolarHBondContact O-N 3.27Å; A102-V105 PolarHBondContact O-N 3.42Å; A102-N106 WeakPolarHBondContact O-CB 3.25Å; A102-N106 PolarHBondContact O-N 3.19Å; A102-N106 PolarHBondContact O-ND2 3.32Å |
| 103 | D | 92.6 | Very high | 90.1 | Very high | 125 Ų | 125 | 87.8 Ų | 87.8 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 178.3 | -62 | -30.7 | 0 | 0 | 0 | 112.3 | N101 N107 | N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 3Å; D103-N107 WeakPolarHBondContact O-CB 3.08Å; D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 PolarHBondContact O-ND2 3.22Å |
| 104 | N | 91.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 85.3 Ų | 85.3 | 11% | 0.107 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.9 | -43.2 | 178.2 | -169.7 | 63.2 | 0 | 0 | 0 | 111 | N96 N99 N101 A102 N107 L108 | N96-N104 PolarHBondContact ND2-OD1 3.38Å; N96-N104 VanDerWaalsContact ND2-OD1 3.1Å; N96-N104 PolarHBondContact O-ND2 2.87Å; N96-N104 PolarHBondContact O-OD1 3.46Å; N99-N104 PolarHBondContact O-ND2 3.2Å; N101-N104 WeakPolarHBondContact O-CA 3.38Å; N101-N104 WeakPolarHBondContact O-CB 3.45Å; N101-N104 PolarHBondContact O-N 3.26Å; A102-N104 VanDerWaalsContact C-N 3.32Å; A102-N104 PolarHBondContact O-N 3.27Å; N104-N107 PolarHBondContact O-N 2.89Å; N104-L108 VanDerWaalsContact O-CG 3.27Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.06Å |
| 105 | V | 90.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 176 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | N101 A102 N107 L108 T109 | N101-V105 PolarHBondContact O-N 3.08Å; A102-V105 PolarHBondContact O-N 3.42Å; V105-N107 VanDerWaalsContact C-N 3.31Å; V105-N107 PolarHBondContact O-N 3.05Å; V105-L108 PolarHBondContact O-N 3.03Å; V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 WeakPolarHBondContact O-CG2 3.5Å; V105-T109 PolarHBondContact O-N 3.03Å; V105-T109 PolarHBondContact O-OG1 3.5Å |
| 106 | N | 91.2 | Very high | 88.7 | Confident | 101 Ų | 101 | 84.8 Ų | 84.8 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 177.6 | -72.2 | -26 | 0 | 0 | 0 | 112.2 | A102 T109 S110 | A102-N106 WeakPolarHBondContact O-CB 3.25Å; A102-N106 PolarHBondContact O-N 3.19Å; A102-N106 PolarHBondContact O-ND2 3.32Å; N106-T109 WeakPolarHBondContact CA-OG1 3.44Å; N106-T109 PolarHBondContact O-N 3.28Å; N106-T109 PolarHBondContact O-OG1 3.34Å; N106-S110 PolarHBondContact O-N 3.02Å; N106-S110 VanDerWaalsContact O-N 3.08Å |
| 107 | N | 88.7 | Confident | 88 | Confident | 114 Ų | 114 | 80.6 Ų | 80.6 | 61% | 0.61 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 175.6 | -75.3 | -33.4 | 0 | 0 | 0 | 112.1 | D103 N104 V105 S110 | D103-N107 WeakPolarHBondContact O-CB 3.08Å; D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 PolarHBondContact O-ND2 3.22Å; N104-N107 PolarHBondContact O-N 2.89Å; V105-N107 VanDerWaalsContact C-N 3.31Å; V105-N107 PolarHBondContact O-N 3.05Å; N107-S110 WeakPolarHBondContact O-CB 3.47Å; N107-S110 PolarHBondContact O-OG 3.32Å |
| 108 | L | 87.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 35% | 0.346 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 178.7 | -69.8 | 174.2 | 0 | 0 | 0 | 112.7 | N104 V105 S110 | N104-L108 VanDerWaalsContact O-CG 3.27Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.06Å; V105-L108 PolarHBondContact O-N 3.03Å; L108-S110 VanDerWaalsContact C-N 3.34Å |
| 109 | T | 86.7 | Confident | 86.9 | Confident | 93 Ų | 93 | 84 Ų | 84 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -85.3 | -4.4 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | V105 N106 V111 | V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 WeakPolarHBondContact O-CG2 3.5Å; V105-T109 PolarHBondContact O-N 3.03Å; V105-T109 PolarHBondContact O-OG1 3.5Å; N106-T109 WeakPolarHBondContact CA-OG1 3.44Å; N106-T109 PolarHBondContact O-N 3.28Å; N106-T109 PolarHBondContact O-OG1 3.34Å; T109-V111 PolarHBondContact O-N 3.11Å |
| 110 | S | 89.1 | Confident | 86.3 | Confident | 87 Ų | 87 | 85 Ų | 85 | 61% | 0.608 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.8 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | N106 N107 L108 | N106-S110 PolarHBondContact O-N 3.02Å; N106-S110 VanDerWaalsContact O-N 3.08Å; N107-S110 WeakPolarHBondContact O-CB 3.47Å; N107-S110 PolarHBondContact O-OG 3.32Å; L108-S110 VanDerWaalsContact C-N 3.34Å |
| 111 | V | 87.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -102.3 | 114.1 | 180 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | R66 T109 I113 | R66-V111 HydrophobicContact CB-CG1 4.34Å; T109-V111 PolarHBondContact O-N 3.11Å; V111-I113 PolarHBondContact O-N 3.21Å |
| 112 | I | 87.2 | Confident | 85 | Confident | 141 Ų | 141 | 80.3 Ų | 80.3 | 72% | 0.723 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 122.8 | 177.6 | -56.7 | 174.8 | 0 | 0 | 0 | 110.5 | R66 | R66-I112 PolarHBondContact NH1-O 3.46Å; R66-I112 VanDerWaalsContact NH1-O 3.13Å |
| 113 | I | 84.7 | Confident | 84.4 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 118.6 | 176.1 | -56.5 | 177.6 | 0 | 0 | 0 | 109 | R66 F67 V111 T115 | R66-I113 HydrophobicContact CB-CG1 4.35Å; F67-I113 HydrophobicContact CD1-CD1 4.28Å; F67-I113 HydrophobicContact CE1-CD1 3.91Å; F67-I113 HydrophobicContact CE2-CD1 4.18Å; F67-I113 HydrophobicContact CZ-CD1 3.86Å; V111-I113 PolarHBondContact O-N 3.21Å; I113-T115 PolarHBondContact O-N 2.85Å |
| 114 | P | 84.4 | Confident | 83.7 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 133.8 | 178.5 | -23.6 | 34.9 | 0 | 0 | 0 | 111.4 | N116 | P114-N116 VanDerWaalsContact CB-OD1 3.27Å; P114-N116 WeakPolarHBondContact CB-OD1 3.08Å |
| 115 | T | 83.6 | Confident | 83.1 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | trans | -97.8 | 4.1 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | I113 L117 L118 K119 | I113-T115 PolarHBondContact O-N 2.85Å; T115-L117 PolarHBondContact O-N 2.87Å; T115-L118 HydrophobicContact CG2-CD1 4.12Å; T115-L118 WeakPolarHBondContact O-CA 3.41Å; T115-L118 WeakPolarHBondContact O-CB 3.37Å; T115-L118 PolarHBondContact O-N 3.06Å; T115-K119 PolarHBondContact O-N 3.39Å; T115-K119 VanDerWaalsContact O-N 3.12Å | ||
| 116 | N | 79.8 | Confident | 82.5 | Confident | 93 Ų | 93 | 83 Ų | 83 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -51.9 | -43.8 | -179.7 | 59 | -46.1 | 0 | 0 | 0 | 111.9 | P114 L118 K119 | P114-N116 VanDerWaalsContact CB-OD1 3.27Å; P114-N116 WeakPolarHBondContact CB-OD1 3.08Å; N116-L118 VanDerWaalsContact C-N 3.35Å; N116-K119 PolarHBondContact O-N 3.29Å |
| 117 | L | 75.2 | Confident | 81.7 | Confident | 12 Ų | 12 | 84.3 Ų | 84.3 | 6% | 0.063 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.4 | -26.7 | 177.3 | -65.2 | -170.2 | 0 | 0 | 0 | 113.7 | L3 E8 N9 T115 K119 C121 | L3-L117 HydrophobicContact CD1-CD1 4.3Å; L3-L117 HydrophobicContact CD2-CB 3.91Å; L3-L117 HydrophobicContact CD2-CD2 4.08Å; L3-L117 HydrophobicContact CD2-CG 4.4Å; L3-L117 HydrophobicContact CG-CB 3.85Å; L3-L117 HydrophobicContact CG-CD1 3.89Å; L3-L117 HydrophobicContact CG-CD2 4.18Å; L3-L117 HydrophobicContact CG-CG 4.18Å; E8-L117 VanDerWaalsContact N-CD1 3.29Å; N9-L117 HydrophobicContact CB-CD2 4.34Å; T115-L117 PolarHBondContact O-N 2.87Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-C121 PolarHBondContact O-N 2.86Å |
| 118 | L | 80.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 176.4 | -50.6 | -165 | 0 | 0 | 0 | 110.8 | L4 T115 N116 C121 K122 | L4-L118 HydrophobicContact CB-CD2 4.02Å; L4-L118 HydrophobicContact CD2-CD1 4.38Å; L4-L118 HydrophobicContact CD2-CD2 3.32Å; L4-L118 HydrophobicContact CD2-CG 4.27Å; L4-L118 HydrophobicContact CG-CD2 3.73Å; T115-L118 HydrophobicContact CG2-CD1 4.12Å; T115-L118 WeakPolarHBondContact O-CA 3.41Å; T115-L118 WeakPolarHBondContact O-CB 3.37Å; T115-L118 PolarHBondContact O-N 3.06Å; N116-L118 VanDerWaalsContact C-N 3.35Å; L118-C121 PolarHBondContact O-N 2.95Å; L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 2.95Å |
| 119 | K | 78.8 | Confident | 79.8 | Confident | 142 Ų | 142 | 83.2 Ų | 83.2 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 177.6 | -66.6 | -176.3 | 180 | -175.9 | 0 | 111.7 | T115 N116 L117 C121 K122 I123 | T115-K119 PolarHBondContact O-N 3.39Å; T115-K119 VanDerWaalsContact O-N 3.12Å; N116-K119 PolarHBondContact O-N 3.29Å; L117-K119 VanDerWaalsContact C-N 3.34Å; K119-C121 PolarHBondContact O-N 3.43Å; K119-K122 WeakPolarHBondContact O-CB 3.49Å; K119-K122 PolarHBondContact O-N 2.75Å; K119-K122 VanDerWaalsContact O-N 3.17Å; K119-I123 WeakPolarHBondContact O-CG1 3.42Å; K119-I123 PolarHBondContact O-N 3.38Å |
| 120 | S | 77 | Confident | 78.4 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | K122 A124 | S120-K122 VanDerWaalsContact C-N 3.34Å; S120-A124 PolarHBondContact O-N 3.45Å |
| 121 | C | 76.8 | Confident | 76.9 | Confident | 20 Ų | 20 | 85.6 Ų | 85.6 | 14% | 0.135 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 173.6 | -78.1 | 0 | 0 | 0 | 0 | 112.9 | L3 L117 L118 K119 L125 | L3-C121 VanDerWaalsContact CB-SG 3.57Å; L3-C121 VanDerWaalsContact CD2-SG 3.51Å; L117-C121 PolarHBondContact O-N 2.86Å; L118-C121 PolarHBondContact O-N 2.95Å; K119-C121 PolarHBondContact O-N 3.43Å; C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.1Å |
| 122 | K | 79.3 | Confident | 75.4 | Confident | 132 Ų | 132 | 86.8 Ų | 86.8 | 57% | 0.574 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.3 | -49.7 | 178 | -169.8 | -167.4 | 173.7 | -156.6 | 0 | 110.7 | L118 K119 S120 A124 L125 D126 | L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 2.95Å; K119-K122 WeakPolarHBondContact O-CB 3.49Å; K119-K122 PolarHBondContact O-N 2.75Å; K119-K122 VanDerWaalsContact O-N 3.17Å; S120-K122 VanDerWaalsContact C-N 3.34Å; K122-A124 VanDerWaalsContact C-N 3.29Å; K122-A124 PolarHBondContact O-N 2.93Å; K122-L125 CarbonylContact O-C 3.6Å; K122-L125 WeakPolarHBondContact O-CA 3.34Å; K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.49Å; K122-D126 VanDerWaalsContact CE-OD2 3.3Å; K122-D126 WeakPolarHBondContact CE-OD2 3.36Å; K122-D126 IonicContact NZ-OD2 3.89Å; K122-D126 VanDerWaalsContact O-CG 3.29Å; K122-D126 PolarHBondContact O-N 2.95Å |
| 123 | I | 78.9 | Confident | 73.8 | Confident | 98 Ų | 98 | 86.1 Ų | 86.1 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 178.3 | -65.5 | 165.1 | 0 | 0 | 0 | 110.9 | K119 L125 D126 Q127 | K119-I123 WeakPolarHBondContact O-CG1 3.42Å; K119-I123 PolarHBondContact O-N 3.38Å; I123-L125 VanDerWaalsContact C-N 3.28Å; I123-L125 PolarHBondContact O-N 3.27Å; I123-D126 PolarHBondContact O-N 3.39Å; I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 VanDerWaalsContact O-CG 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.1Å; I123-Q127 PolarHBondContact O-N 2.98Å |
| 124 | A | 78.4 | Confident | 72.2 | Confident | 55 Ų | 55 | 90.1 Ų | 90.1 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -28.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S120 K122 | S120-A124 PolarHBondContact O-N 3.45Å; K122-A124 VanDerWaalsContact C-N 3.29Å; K122-A124 PolarHBondContact O-N 2.93Å |
| 125 | L | 78.3 | Confident | 70.9 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -79.3 | -42.1 | 174.7 | -78.7 | 167.9 | 0 | 0 | 0 | 111.8 | C121 K122 I123 Q127 K128 T129 | C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.1Å; K122-L125 CarbonylContact O-C 3.6Å; K122-L125 WeakPolarHBondContact O-CA 3.34Å; K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.49Å; I123-L125 VanDerWaalsContact C-N 3.28Å; I123-L125 PolarHBondContact O-N 3.27Å; L125-Q127 VanDerWaalsContact C-N 3.35Å; L125-Q127 PolarHBondContact O-N 3.39Å; L125-K128 CarbonylContact O-C 3.58Å; L125-K128 WeakPolarHBondContact O-CA 3.5Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 3.08Å; L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.39Å |
| 126 | D | 78 | Confident | 69.6 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 179.3 | -66.7 | -14.3 | 0 | 0 | 0 | 110 | K122 I123 K128 T129 E130 | K122-D126 VanDerWaalsContact CE-OD2 3.3Å; K122-D126 WeakPolarHBondContact CE-OD2 3.36Å; K122-D126 IonicContact NZ-OD2 3.89Å; K122-D126 VanDerWaalsContact O-CG 3.29Å; K122-D126 PolarHBondContact O-N 2.95Å; I123-D126 PolarHBondContact O-N 3.39Å; D126-K128 PolarHBondContact O-N 3.28Å; D126-T129 PolarHBondContact O-N 3.5Å; D126-E130 PolarHBondContact O-N 3.07Å; D126-E130 VanDerWaalsContact O-N 3.13Å |
| 127 | Q | 75.9 | Confident | 68.4 | Low | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.2 | -32 | 172.6 | -73 | 174.4 | -12.2 | 0 | 0 | 113.1 | I123 L125 | I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 VanDerWaalsContact O-CG 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.1Å; I123-Q127 PolarHBondContact O-N 2.98Å; L125-Q127 VanDerWaalsContact C-N 3.35Å; L125-Q127 PolarHBondContact O-N 3.39Å |
| 128 | K | 69.9 | Low | 67.3 | Low | 77 Ų | 77 | 107 Ų | 107 | 34% | 0.335 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.2 | -46.6 | 176.4 | -172.7 | 177.2 | -177.8 | 175.9 | 0 | 110.2 | I51 L125 D126 E130 S131 Y132 | I51-K128 HydrophobicContact CD1-CD 3.96Å; I51-K128 HydrophobicContact CD1-CG 4.49Å; L125-K128 CarbonylContact O-C 3.58Å; L125-K128 WeakPolarHBondContact O-CA 3.5Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 3.08Å; D126-K128 PolarHBondContact O-N 3.28Å; K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 PolarHBondContact O-N 3.3Å; K128-S131 WeakPolarHBondContact O-CA 3.36Å; K128-S131 VanDerWaalsContact O-CB 3.3Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.22Å; K128-Y132 HydrophobicContact CD-CD2 4.44Å; K128-Y132 HydrophobicContact CD-CE2 3.82Å; K128-Y132 WeakPolarHBondContact CE-OH 3.37Å; K128-Y132 HydrophobicContact CG-CD2 3.63Å; K128-Y132 HydrophobicContact CG-CE2 3.36Å; K128-Y132 PolarHBondContact NZ-OH 3.19Å; K128-Y132 VanDerWaalsContact O-CD2 3.24Å; K128-Y132 WeakPolarHBondContact O-CD2 3.43Å; K128-Y132 PolarHBondContact O-N 2.97Å |
| 129 | T | 64.7 | Low | 66.2 | Low | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.3 | -33.7 | -177.9 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | L125 D126 S131 Y132 | L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.39Å; D126-T129 PolarHBondContact O-N 3.5Å; T129-S131 PolarHBondContact O-N 2.94Å; T129-Y132 PolarHBondContact O-N 2.89Å; T129-Y132 VanDerWaalsContact O-N 3.13Å |
| 130 | E | 59.2 | Low | 64.5 | Low | 162 Ų | 162 | 111 Ų | 111 | 76% | 0.757 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.6 | -28.5 | 171.6 | -71.4 | 178.9 | -179.2 | 0 | 0 | 112.8 | D126 K128 | D126-E130 PolarHBondContact O-N 3.07Å; D126-E130 VanDerWaalsContact O-N 3.13Å; K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 PolarHBondContact O-N 3.3Å |
| 131 | S | 56.8 | Low | 63.9 | Low | 69 Ų | 69 | 116 Ų | 116 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -84.7 | -22.8 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 114.1 | K128 T129 | K128-S131 WeakPolarHBondContact O-CA 3.36Å; K128-S131 VanDerWaalsContact O-CB 3.3Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.22Å; T129-S131 PolarHBondContact O-N 2.94Å |
| 132 | Y | 55.5 | Low | 62.3 | Low | 101 Ų | 101 | 127.4 Ų | 127.4 | 40% | 0.396 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -87.3 | -15.7 | -173.1 | -90.5 | -98.3 | 0 | 0 | 0 | 114.2 | K128 T129 D134 E135 | K128-Y132 HydrophobicContact CD-CD2 4.44Å; K128-Y132 HydrophobicContact CD-CE2 3.82Å; K128-Y132 WeakPolarHBondContact CE-OH 3.37Å; K128-Y132 HydrophobicContact CG-CD2 3.63Å; K128-Y132 HydrophobicContact CG-CE2 3.36Å; K128-Y132 PolarHBondContact NZ-OH 3.19Å; K128-Y132 VanDerWaalsContact O-CD2 3.24Å; K128-Y132 WeakPolarHBondContact O-CD2 3.43Å; K128-Y132 PolarHBondContact O-N 2.97Å; T129-Y132 PolarHBondContact O-N 2.89Å; T129-Y132 VanDerWaalsContact O-N 3.13Å; Y132-D134 PolarHBondContact O-N 3.23Å; Y132-D134 VanDerWaalsContact O-N 3.13Å; Y132-E135 PolarHBondContact O-N 2.97Å; Y132-E135 VanDerWaalsContact O-N 3.09Å |
| 133 | N | 53.1 | Low | 61.4 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 68% | 0.684 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -18.4 | 177.7 | -73.5 | -19.8 | 0 | 0 | 0 | 112.6 | ||
| 134 | D | 52.2 | Low | 60.5 | Low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -22.1 | 173.8 | -104.8 | -9.4 | 0 | 0 | 0 | 114.3 | Y132 | Y132-D134 PolarHBondContact O-N 3.23Å; Y132-D134 VanDerWaalsContact O-N 3.13Å |
| 135 | E | 57.3 | Low | 59.5 | Low | 124 Ų | 124 | 132.8 Ų | 132.8 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -3 | -166.8 | -64.7 | -169.7 | 169 | 0 | 0 | 114.7 | Y132 E137 | Y132-E135 PolarHBondContact O-N 2.97Å; Y132-E135 VanDerWaalsContact O-N 3.09Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.27Å |
| 136 | T | 56.9 | Low | 58.4 | Low | 105 Ų | 105 | 134.6 Ų | 134.6 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -80.9 | -6 | -175 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 137 | E | 53 | Low | 57.2 | Low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -77.9 | -16.7 | 179.4 | -69.1 | -157 | 160.6 | 0 | 0 | 114.8 | E135 | E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.27Å |
| 138 | E | 53.4 | Low | 56 | Low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -115.7 | 27.9 | -169.7 | -80.9 | -157.4 | 171.1 | 0 | 0 | 116.6 | Q140 | E138-Q140 PolarHBondContact O-N 3.25Š|
| 139 | L | 57.1 | Low | 55 | Low | 132 Ų | 132 | 143.7 Ų | 143.7 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | -84 | 62.4 | 162.8 | -69.7 | 179.6 | 0 | 0 | 0 | 111.3 | F141 | L139-F141 HydrophobicContact CB-CD2 4.44Å; L139-F141 HydrophobicContact CB-CE2 3.89Å; L139-F141 HydrophobicContact CB-CZ 4.43Å; L139-F141 HydrophobicContact CD1-CE2 4.36Å; L139-F141 HydrophobicContact CD1-CZ 4.4Å; L139-F141 HydrophobicContact CD2-CE2 4.45Å; L139-F141 HydrophobicContact CD2-CZ 4.14Å; L139-F141 HydrophobicContact CG-CE2 4.47Å; L139-F141 PolarHBondContact O-N 3.03Å | ||
| 140 | Q | 43.7 | Very low | 54.2 | Low | 157 Ų | 157 | 148.6 Ų | 148.6 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -77.6 | 98.5 | 158.4 | -73.5 | -170.8 | -9.1 | 0 | 0 | 108.3 | E138 F142 | E138-Q140 PolarHBondContact O-N 3.25Å; Q140-F142 PolarHBondContact O-N 3.31Å | ||
| 141 | F | 63.4 | Low | 53.8 | Low | 174 Ų | 174 | 147.5 Ų | 147.5 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | trans | -74.7 | 104.7 | 162.8 | -63 | -82.3 | 0 | 0 | 0 | 107.1 | L139 | L139-F141 HydrophobicContact CB-CD2 4.44Å; L139-F141 HydrophobicContact CB-CE2 3.89Å; L139-F141 HydrophobicContact CB-CZ 4.43Å; L139-F141 HydrophobicContact CD1-CE2 4.36Å; L139-F141 HydrophobicContact CD1-CZ 4.4Å; L139-F141 HydrophobicContact CD2-CE2 4.45Å; L139-F141 HydrophobicContact CD2-CZ 4.14Å; L139-F141 HydrophobicContact CG-CE2 4.47Å; L139-F141 PolarHBondContact O-N 3.03Å | ||
| 142 | F | 43.4 | Very low | 53.5 | Low | 261 Ų | 261 | 154.6 Ų | 154.6 | 100% | 1.145 | 74% | 0.743 | S | S | * | * | trans | -55.7 | 0 | 168.3 | -69.2 | -79.3 | 0 | 0 | 0 | 111.8 | Q140 | Q140-F142 PolarHBondContact O-N 3.31Š|
Retrieved 142 of 142 residues in 46.9 ms
(Link to these results)