| 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 | E | 32.2 | Very low | 32.1 | Very low | 196 Ų | 196 | 124.5 Ų | 124.5 | 92% | 0.916 | 64% | 0.643 | S | S | * | * | 0 | 138.4 | 0 | -173 | 176 | 161.1 | 0 | 0 | 107.8 | R4 | E1-R4 IonicContact OE1-NE 3.53Š| |||
| 2 | P | 31 | Very low | 32.2 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 66% | 0.662 | 61% | 0.609 | S | S | * | * | trans | -70.9 | 140.1 | 171.4 | 30.4 | -33.3 | 0 | 0 | 0 | 109.8 | R4 | P2-R4 PolarHBondContact O-N 3.36Š| ||
| 3 | P | 34.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 81% | 0.812 | 59% | 0.594 | S | S | * | * | trans | -62 | 128.1 | 175.3 | 27.2 | -33.7 | 0 | 0 | 0 | 109.3 | E5 | P3-E5 PolarHBondContact O-N 2.89Å; P3-E5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | R | 33.3 | Very low | 31.4 | Very low | 202 Ų | 202 | 111.3 Ų | 111.3 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | trans | -73.6 | 107.7 | -179 | -66.3 | 177.8 | 176.6 | -140.5 | -3.7 | 109.5 | E1 P2 L6 | E1-R4 IonicContact OE1-NE 3.53Å; P2-R4 PolarHBondContact O-N 3.36Å; R4-L6 VanDerWaalsContact C-N 3.32Å; R4-L6 PolarHBondContact O-N 2.94Å | ||
| 5 | E | 31.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 109.5 Ų | 109.5 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | trans | -65.1 | 90.3 | 171.7 | -69.2 | -172.8 | 140.2 | 0 | 0 | 110.5 | P3 L7 | P3-E5 PolarHBondContact O-N 2.89Å; P3-E5 VanDerWaalsContact O-N 3.17Å; E5-L7 PolarHBondContact O-N 2.96Å | ||
| 6 | L | 33.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 106.6 Ų | 106.6 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | trans | -74.9 | 92.1 | 171.3 | -64.8 | 177 | 0 | 0 | 0 | 109 | R4 H8 | R4-L6 VanDerWaalsContact C-N 3.32Å; R4-L6 PolarHBondContact O-N 2.94Å; L6-H8 VanDerWaalsContact C-N 3.28Å; L6-H8 WeakPolarHBondContact CB-CE1 3.46Å; L6-H8 PolarHBondContact O-N 2.94Å; L6-H8 PolarHBondContact O-ND1 3.3Å | ||
| 7 | L | 31.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 106.5 Ų | 106.5 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | -63.8 | 83 | 173.6 | -89.2 | 163.5 | 0 | 0 | 0 | 111.3 | E5 E9 | E5-L7 PolarHBondContact O-N 2.96Å; L7-E9 PolarHBondContact O-N 2.99Å; L7-E9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | H | 34.3 | Very low | 31.7 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 30% | 0.301 | 62% | 0.622 | S | S | . | * | trans | -78.1 | 90 | 175.7 | -69.1 | 103 | 0 | 0 | 0 | 110.8 | L6 L10 M26 | L6-H8 VanDerWaalsContact C-N 3.28Å; L6-H8 WeakPolarHBondContact CB-CE1 3.46Å; L6-H8 PolarHBondContact O-N 2.94Å; L6-H8 PolarHBondContact O-ND1 3.3Å; H8-L10 PolarHBondContact O-N 3.26Å; H8-M26 HydrophobicContact CB-CE 4.36Å | ||
| 9 | E | 29.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 54% | 0.542 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 122.2 | 173.3 | -177.2 | 175.3 | 133.3 | 0 | 0 | 111.4 | L7 R108 | L7-E9 PolarHBondContact O-N 2.99Å; L7-E9 VanDerWaalsContact O-N 3.11Å; E9-R108 VanDerWaalsContact CD-NH2 3.34Å; E9-R108 IonicContact OE1-CZ 2.78Å; E9-R108 IonicContact OE1-NH1 2.68Å; E9-R108 PolarHBondContact OE1-NH1 2.79Å; E9-R108 IonicContact OE1-NH2 3.27Å; E9-R108 IonicContact OE2-CZ 3.67Å; E9-R108 VanDerWaalsContact OE2-CZ 3.27Å; E9-R108 IonicContact OE2-NH1 3.61Å; E9-R108 PolarHBondContact OE2-NH1 3.33Å; E9-R108 VanDerWaalsContact OE2-NH1 3.1Å; E9-R108 IonicContact OE2-NH2 3.71Å; E9-R108 PolarHBondContact OE2-NH2 3.01Å |
| 10 | L | 33.8 | Very low | 31.8 | Very low | 40 Ų | 40 | 111.5 Ų | 111.5 | 21% | 0.209 | 61% | 0.61 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 87.2 | -179.2 | -166.5 | 83 | 0 | 0 | 0 | 111.8 | H8 L12 A24 | H8-L10 PolarHBondContact O-N 3.26Å; L10-L12 HydrophobicContact CD2-CD1 3.75Å; L10-L12 HydrophobicContact CD2-CG 4.21Å; L10-L12 HydrophobicContact CG-CD1 4.31Å; L10-L12 HydrophobicContact CG-CG 4.3Å; L10-L12 PolarHBondContact O-N 2.98Å; L10-A24 HydrophobicContact CD2-CB 4.01Å |
| 11 | A | 28 | Very low | 31.7 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | trans | -74.3 | 122.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | L | 33.8 | Very low | 31.7 | Very low | 45 Ų | 45 | 104.6 Ų | 104.6 | 24% | 0.236 | 59% | 0.585 | C | S | . | * | trans | -125.1 | 142.1 | -175.8 | -71.8 | 162 | 0 | 0 | 0 | 111.9 | L10 V22 L107 | L10-L12 HydrophobicContact CD2-CD1 3.75Å; L10-L12 HydrophobicContact CD2-CG 4.21Å; L10-L12 HydrophobicContact CG-CD1 4.31Å; L10-L12 HydrophobicContact CG-CG 4.3Å; L10-L12 PolarHBondContact O-N 2.98Å; L12-V22 HydrophobicContact CD1-CG1 3.42Å; L12-V22 VanDerWaalsContact CD1-CG1 3.42Å; L12-V22 HydrophobicContact CD2-CG1 4.24Å; L12-V22 HydrophobicContact CG-CG1 4.46Å; L12-L107 HydrophobicContact CD1-CD1 4.3Å | ||
| 13 | S | 25.3 | Very low | 31.7 | Very low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 58% | 0.576 | S | S | . | * | trans | -120.3 | 122.6 | -171.7 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | R112 | S13-R112 PolarHBondContact OG-NE 3.29Å; S13-R112 PolarHBondContact OG-NH2 3.17Å; S13-R112 VanDerWaalsContact OG-NH2 3.15Å | ||
| 14 | V | 27.4 | Very low | 31.6 | Very low | 84 Ų | 84 | 102.9 Ų | 102.9 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | trans | -127 | 110.9 | -174.4 | 176.3 | 0 | 0 | 0 | 0 | 112 | K20 | V14-K20 HydrophobicContact CG1-CD 4.07Å; V14-K20 HydrophobicContact CG2-CD 4.45Å | ||
| 15 | P | 30.3 | Very low | 31.5 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | trans | -112.3 | 135 | 158.9 | 34.1 | -32.5 | 0 | 0 | 0 | 112.6 | K20 | P15-K20 WeakPolarHBondContact O-CE 3.42Å; P15-K20 PolarHBondContact O-NZ 3.11Å | ||
| 16 | G | 30 | Very low | 31.6 | Very low | 64 Ų | 64 | 94.9 Ų | 94.9 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 80.8 | 137.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K20 | G16-K20 VanDerWaalsContact O-CE 3.29Å; G16-K20 WeakPolarHBondContact O-CE 3.19Å |
| 17 | A | 38.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 96.9 Ų | 96.9 | 86% | 0.86 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -97.8 | 110.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 18 | R | 32.2 | Very low | 31.3 | Very low | 241 Ų | 241 | 94 Ų | 94 | 91% | 0.909 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -173.6 | 102.4 | 147.4 | -107.3 | 171.1 | 172.8 | -153.6 | -4.6 | 108.6 | ||
| 19 | S | 32.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 98.5 Ų | 98.5 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | trans | 33.1 | 91.2 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 117 | R74 | S19-R74 PolarHBondContact OG-NH2 3.16Š| ||
| 20 | K | 32.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 99.6 Ų | 99.6 | 40% | 0.404 | 57% | 0.567 | S | S | . | * | trans | -90 | 124 | 171.9 | -59.2 | -148.8 | 178.6 | -156.4 | 0 | 112.1 | V14 P15 G16 V22 | V14-K20 HydrophobicContact CG1-CD 4.07Å; V14-K20 HydrophobicContact CG2-CD 4.45Å; P15-K20 WeakPolarHBondContact O-CE 3.42Å; P15-K20 PolarHBondContact O-NZ 3.11Å; G16-K20 VanDerWaalsContact O-CE 3.29Å; G16-K20 WeakPolarHBondContact O-CE 3.19Å; K20-V22 PolarHBondContact O-N 2.69Å | ||
| 21 | T | 30.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 103.9 Ų | 103.9 | 52% | 0.515 | 60% | 0.598 | S | S | . | * | trans | -75.1 | 99.6 | 164.2 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | K23 | T21-K23 PolarHBondContact O-N 2.9Š| ||
| 22 | V | 31.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | trans | -70.1 | 125.4 | 168.6 | 173.8 | 0 | 0 | 0 | 0 | 108.6 | L12 K20 | L12-V22 HydrophobicContact CD1-CG1 3.42Å; L12-V22 VanDerWaalsContact CD1-CG1 3.42Å; L12-V22 HydrophobicContact CD2-CG1 4.24Å; L12-V22 HydrophobicContact CG-CG1 4.46Å; K20-V22 PolarHBondContact O-N 2.69Å | ||
| 23 | K | 32.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 48% | 0.483 | 63% | 0.634 | S | S | . | * | trans | -95.5 | 109.6 | 170.2 | -65.1 | -174.1 | -180 | -173.4 | 0 | 108.1 | T21 F25 | T21-K23 PolarHBondContact O-N 2.9Å; K23-F25 HydrophobicContact CB-CD2 4.37Å; K23-F25 HydrophobicContact CB-CE2 3.87Å; K23-F25 HydrophobicContact CD-CE2 4.31Å; K23-F25 HydrophobicContact CD-CZ 4.32Å | ||
| 24 | A | 30.6 | Very low | 30.2 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | trans | -83.7 | 128.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L10 | L10-A24 HydrophobicContact CD2-CB 4.01Š| ||
| 25 | F | 31.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 117.9 Ų | 117.9 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | trans | -111.1 | 127.8 | 170.7 | -72.1 | -86.5 | 0 | 0 | 0 | 107.9 | K23 | K23-F25 HydrophobicContact CB-CD2 4.37Å; K23-F25 HydrophobicContact CB-CE2 3.87Å; K23-F25 HydrophobicContact CD-CE2 4.31Å; K23-F25 HydrophobicContact CD-CZ 4.32Å | ||
| 26 | M | 33.1 | Very low | 30.3 | Very low | 54 Ų | 54 | 121.4 Ų | 121.4 | 27% | 0.266 | 67% | 0.667 | S | S | . | * | trans | -142.2 | 114 | 176.6 | -148.5 | 175.8 | 179.7 | 0 | 0 | 107.6 | H8 L28 A103 Q104 | H8-M26 HydrophobicContact CB-CE 4.36Å; M26-L28 HydrophobicContact CB-CD1 4.29Å; M26-L28 HydrophobicContact CE-CD1 4.22Å; M26-L28 HydrophobicContact CG-CD1 3.73Å; M26-L28 HydrophobicContact SD-CD1 4.02Å; M26-A103 HydrophobicContact CE-CB 4.03Å; M26-A103 HydrophobicContact SD-CB 3.92Å; M26-Q104 WeakPolarHBondContact CE-O 3.29Å | ||
| 27 | M | 28.8 | Very low | 30 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 78% | 0.778 | 67% | 0.674 | S | S | * | * | trans | -99.8 | 97.4 | 178.7 | -61.9 | -168.3 | -53.7 | 0 | 0 | 108.1 | ||||
| 28 | L | 31.5 | Very low | 29.6 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 56% | 0.555 | 66% | 0.661 | S | S | * | * | trans | -89.7 | 105.6 | 165.8 | -79.2 | 76.7 | 0 | 0 | 0 | 107.1 | M26 L30 | M26-L28 HydrophobicContact CB-CD1 4.29Å; M26-L28 HydrophobicContact CE-CD1 4.22Å; M26-L28 HydrophobicContact CG-CD1 3.73Å; M26-L28 HydrophobicContact SD-CD1 4.02Å; L28-L30 PolarHBondContact O-N 2.8Å | ||
| 29 | D | 26.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | trans | -85.4 | 100.1 | -179.5 | -171.7 | 20.8 | 0 | 0 | 0 | 110.4 | ||||
| 30 | L | 27.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | trans | -148 | 150.7 | 174.3 | -93.5 | 159.3 | 0 | 0 | 0 | 107.9 | L28 S32 | L28-L30 PolarHBondContact O-N 2.8Å; L30-S32 VanDerWaalsContact C-N 3.25Å; L30-S32 PolarHBondContact O-N 2.8Å | ||
| 31 | P | 29 | Very low | 29.3 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -75.4 | 8.4 | -148.9 | 28.1 | -37.2 | 0 | 0 | 0 | 117.6 | ||
| 32 | S | 25.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102.4 | 108.5 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | L30 V34 | L30-S32 VanDerWaalsContact C-N 3.25Å; L30-S32 PolarHBondContact O-N 2.8Å; S32-V34 PolarHBondContact O-N 2.81Å |
| 33 | S | 25.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -65.8 | 119.6 | -166.3 | -161.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 34 | V | 28.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 62% | 0.624 | 73% | 0.725 | S | S | * | * | trans | -120.8 | 121.8 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | S32 F36 | S32-V34 PolarHBondContact O-N 2.81Å; V34-F36 HydrophobicContact CG1-CE1 4.15Å; V34-F36 HydrophobicContact CG1-CE2 4.17Å; V34-F36 HydrophobicContact CG1-CZ 3.83Å | ||
| 35 | R | 27.7 | Very low | 29.2 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -114.4 | 113.3 | 179 | 179.6 | -179.6 | -69.8 | 179 | -0.9 | 110.6 | ||||
| 36 | F | 30.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | -77.6 | 137 | 173.2 | -54 | -81.9 | 0 | 0 | 0 | 111.3 | V34 | V34-F36 HydrophobicContact CG1-CE1 4.15Å; V34-F36 HydrophobicContact CG1-CE2 4.17Å; V34-F36 HydrophobicContact CG1-CZ 3.83Å | ||
| 37 | Q | 24 | Very low | 29.1 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -133.7 | 151.5 | 172.6 | -161 | 165.3 | -4.5 | 0 | 0 | 110.1 | ||||
| 38 | V | 29.7 | Very low | 29.5 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | trans | -141.4 | 120.4 | -171 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 39 | E | 29.5 | Very low | 29.5 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -150.5 | -177.3 | 161.2 | -141.8 | 138.4 | -135.7 | 0 | 0 | 113.1 | ||||
| 40 | N | 28 | Very low | 30 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -33.6 | 154.1 | -158.1 | -143.1 | -29.3 | 0 | 0 | 0 | 121 | ||||
| 41 | L | 33.5 | Very low | 30.2 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -123.7 | 57.6 | -179.1 | -167.6 | 88.8 | 0 | 0 | 0 | 112.4 | ||
| 42 | E | 34.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -123.6 | -22.1 | 169.7 | -93.9 | -178 | 105.7 | 0 | 0 | 114.8 | ||
| 43 | E | 32 | Very low | 30.7 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -93 | -17 | -171.5 | -150.5 | 166 | -167.7 | 0 | 0 | 115 | M45 R46 | E43-M45 PolarHBondContact O-N 3.18Å; E43-R46 PolarHBondContact O-N 3.5Å |
| 44 | M | 29.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 31.7 | -177.6 | -148.4 | 172.9 | 76.7 | 0 | 0 | 114.9 | R46 | M44-R46 VanDerWaalsContact C-N 3.34Š|
| 45 | M | 28.8 | Very low | 32 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 1.9 | 155.1 | -77.1 | -150.8 | -63.6 | 0 | 0 | 112.7 | E43 | E43-M45 PolarHBondContact O-N 3.18Š|
| 46 | R | 34.6 | Very low | 32.5 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -129.9 | 84.2 | 171.8 | -83.9 | -178.5 | 161.7 | 169.5 | -5.9 | 112.5 | E43 M44 | E43-R46 PolarHBondContact O-N 3.5Å; M44-R46 VanDerWaalsContact C-N 3.34Å | ||
| 47 | S | 27.3 | Very low | 33 | Very low | 55 Ų | 55 | 145.7 Ų | 145.7 | 39% | 0.385 | 76% | 0.759 | S | S | . | * | trans | -148.2 | 128.4 | 159.2 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | W49 | S47-W49 VanDerWaalsContact C-N 3.35Å; S47-W49 PolarHBondContact O-N 3.15Å; S47-W49 VanDerWaalsContact O-N 3.11Å | ||
| 48 | P | 36.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -93.8 | 41.9 | -154.8 | 37.9 | -37.3 | 0 | 0 | 0 | 114.2 | L50 | P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 3Å | ||
| 49 | W | 32.9 | Very low | 34.2 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 4.8 | -167.6 | -65.5 | 101.9 | 0 | 0 | 0 | 116 | S47 S51 | S47-W49 VanDerWaalsContact C-N 3.35Å; S47-W49 PolarHBondContact O-N 3.15Å; S47-W49 VanDerWaalsContact O-N 3.11Å; W49-S51 VanDerWaalsContact C-N 3.28Å; W49-S51 PolarHBondContact O-N 3.02Å | ||
| 50 | L | 36.5 | Very low | 34.5 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 22.7 | -175.5 | -148.2 | 77.7 | 0 | 0 | 0 | 114.4 | P48 | P48-L50 VanDerWaalsContact C-N 3.26Å; P48-L50 PolarHBondContact O-N 3Å |
| 51 | S | 31.8 | Very low | 34.5 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -19.5 | -173 | -156.8 | 0 | 0 | 0 | 0 | 114.8 | W49 | W49-S51 VanDerWaalsContact C-N 3.28Å; W49-S51 PolarHBondContact O-N 3.02Å |
| 52 | S | 30.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -133.9 | 64.2 | -163.2 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 53 | I | 34.4 | Very low | 34.5 | Very low | 135 Ų | 135 | 149 Ų | 149 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -116.3 | 96.8 | 170.7 | -55.9 | 177.5 | 0 | 0 | 0 | 109.5 | ||||
| 54 | P | 36.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -65.8 | 142 | 161.1 | -15.3 | 30.8 | 0 | 0 | 0 | 110.2 | ||||
| 55 | T | 44.5 | Very low | 34.5 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -75.9 | 161.4 | -170.4 | -28.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 56 | L | 37.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | 87.9 | 157.5 | 167.9 | -52.6 | 158.2 | 0 | 0 | 0 | 116 | ||||
| 57 | P | 41.8 | Very low | 35.1 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | -134 | 151.9 | -53 | 37.3 | -23.5 | 0 | 0 | 0 | 114.4 | R59 | P57-R59 VanDerWaalsContact C-N 3.27Å; P57-R59 PolarHBondContact O-N 3.11Å | |||
| 58 | S | 41.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 48.7 | -5.7 | 155.3 | 62.9 | 0 | 0 | 0 | 0 | 122.9 | ||
| 59 | R | 38.4 | Very low | 36.1 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -135.7 | 105.2 | 171.5 | -162.7 | 171.8 | -176.9 | 179.8 | -1.1 | 110.2 | P57 T61 | P57-R59 VanDerWaalsContact C-N 3.27Å; P57-R59 PolarHBondContact O-N 3.11Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.34Å | ||
| 60 | Q | 34.3 | Very low | 36.9 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | trans | -76.8 | 69.8 | -170.9 | -64.1 | -178.4 | 16 | 0 | 0 | 113.1 | V62 | Q60-V62 PolarHBondContact O-N 3.27Š| ||
| 61 | T | 29 | Very low | 37.3 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -91.6 | 84 | 165 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | R59 R63 | R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.34Å; T61-R63 PolarHBondContact O-N 3.28Å | ||
| 62 | V | 33.3 | Very low | 38.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | trans | -71.2 | 110.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | Q60 V64 | Q60-V62 PolarHBondContact O-N 3.27Å; V62-V64 HydrophobicContact CG1-CG2 4.07Å; V62-V64 PolarHBondContact O-N 3.19Å | ||
| 63 | R | 33.8 | Very low | 39.3 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | trans | -80.1 | 111.1 | 171.5 | -77.1 | -175 | 163.9 | -159.8 | -9.3 | 109.2 | T61 | T61-R63 PolarHBondContact O-N 3.28Š| ||
| 64 | V | 34.6 | Very low | 40.3 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 39% | 0.388 | 71% | 0.708 | S | S | . | * | trans | -97.5 | 113.6 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V62 I69 | V62-V64 HydrophobicContact CG1-CG2 4.07Å; V62-V64 PolarHBondContact O-N 3.19Å; V64-I69 HydrophobicContact CB-CD1 4.28Å; V64-I69 HydrophobicContact CB-CG1 4.4Å; V64-I69 HydrophobicContact CB-CG2 4Å; V64-I69 HydrophobicContact CG1-CD1 4.42Å; V64-I69 HydrophobicContact CG1-CG1 4.12Å; V64-I69 HydrophobicContact CG1-CG2 4.23Å; V64-I69 HydrophobicContact CG2-CG2 4.31Å; V64-I69 WeakPolarHBondContact O-CD1 3.47Å | ||
| 65 | Q | 27.5 | Very low | 41 | Very low | 205 Ų | 205 | 134.7 Ų | 134.7 | 96% | 0.958 | 69% | 0.69 | S | S | * | * | trans | -95.6 | 92.9 | 171.9 | -173.7 | 177.1 | 9.3 | 0 | 0 | 108.3 | ||||
| 66 | G | 35.7 | Very low | 41.3 | Very low | 44 Ų | 44 | 133.6 Ų | 133.6 | 45% | 0.454 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -170.7 | 153.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | D68 I69 | G66-D68 PolarHBondContact O-N 2.75Å; G66-D68 VanDerWaalsContact O-N 3.16Å; G66-I69 WeakPolarHBondContact O-CG1 3.45Å |
| 67 | N | 40.2 | Very low | 42.1 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 95% | 0.947 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -73.2 | 3 | -173 | -172.6 | 84.7 | 0 | 0 | 0 | 115.1 | ||
| 68 | D | 36.9 | Very low | 42.8 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 65% | 0.647 | 67% | 0.672 | S | S | * | * | trans | -154.5 | 102.3 | 177.1 | -170.6 | -25.9 | 0 | 0 | 0 | 109.2 | G66 S70 | G66-D68 PolarHBondContact O-N 2.75Å; G66-D68 VanDerWaalsContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CB 3.47Å; D68-S70 PolarHBondContact OD1-N 3.4Å; D68-S70 PolarHBondContact OD1-OG 2.96Å | ||
| 69 | I | 47.5 | Very low | 43.7 | Very low | 89 Ų | 89 | 129 Ų | 129 | 46% | 0.456 | 65% | 0.652 | S | S | . | * | trans | -106.2 | 56.4 | -175.2 | -46 | -178.6 | 0 | 0 | 0 | 110.1 | V64 G66 H71 | V64-I69 HydrophobicContact CB-CD1 4.28Å; V64-I69 HydrophobicContact CB-CG1 4.4Å; V64-I69 HydrophobicContact CB-CG2 4Å; V64-I69 HydrophobicContact CG1-CD1 4.42Å; V64-I69 HydrophobicContact CG1-CG1 4.12Å; V64-I69 HydrophobicContact CG1-CG2 4.23Å; V64-I69 HydrophobicContact CG2-CG2 4.31Å; V64-I69 WeakPolarHBondContact O-CD1 3.47Å; G66-I69 WeakPolarHBondContact O-CG1 3.45Å; I69-H71 WeakPolarHBondContact CG2-NE2 3.5Å; I69-H71 PolarHBondContact O-N 2.78Å | ||
| 70 | S | 49.3 | Very low | 44.9 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | trans | -74.5 | 83.5 | -179 | -74.3 | 0 | 0 | 0 | 0 | 113.4 | D68 | D68-S70 WeakPolarHBondContact OD1-CB 3.47Å; D68-S70 PolarHBondContact OD1-N 3.4Å; D68-S70 PolarHBondContact OD1-OG 2.96Å | ||
| 71 | H | 44.6 | Very low | 46.6 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 68% | 0.681 | 63% | 0.626 | S | S | * | * | trans | -79.5 | 147.2 | 173.2 | -71.8 | -56.9 | 0 | 0 | 0 | 113.5 | I69 | I69-H71 WeakPolarHBondContact CG2-NE2 3.5Å; I69-H71 PolarHBondContact O-N 2.78Å | ||
| 72 | R | 51.1 | Low | 48.1 | Very low | 174 Ų | 174 | 117.2 Ų | 117.2 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | trans | -137 | 117.7 | -175.2 | 175.3 | 176.4 | 160.7 | -159.3 | -7.2 | 113 | ||||
| 73 | L | 52.4 | Low | 49.7 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | trans | -73.7 | 140 | 170.8 | -176.3 | 61 | 0 | 0 | 0 | 111.2 | L75 Y86 | L73-L75 HydrophobicContact CD1-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CG 4.48Å; L73-L75 HydrophobicContact CG-CD2 4.23Å; L73-L75 HydrophobicContact CG-CG 4.46Å; L73-Y86 HydrophobicContact CD2-CD1 4.02Å; L73-Y86 HydrophobicContact CD2-CE1 4.43Å | ||
| 74 | R | 55.3 | Low | 51 | Low | 173 Ų | 173 | 107.5 Ų | 107.5 | 65% | 0.653 | 57% | 0.565 | S | S | * | * | trans | -131.6 | 106.7 | 172.3 | -178.2 | -172.1 | -178 | -165.3 | 3.7 | 109.8 | S19 | S19-R74 PolarHBondContact OG-NH2 3.16Š| ||
| 75 | L | 53.5 | Low | 52.6 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | trans | -82.7 | 144.4 | 170.5 | -55.2 | 177.4 | 0 | 0 | 0 | 110.2 | L73 V78 Y86 L107 | L73-L75 HydrophobicContact CD1-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.21Å; L73-L75 HydrophobicContact CD2-CG 4.48Å; L73-L75 HydrophobicContact CG-CD2 4.23Å; L73-L75 HydrophobicContact CG-CG 4.46Å; L75-V78 HydrophobicContact CB-CG2 3.64Å; L75-V78 HydrophobicContact CD1-CG2 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.98Å; L75-Y86 HydrophobicContact CD2-CE1 4.3Å; L75-L107 HydrophobicContact CD1-CD2 3.61Å | ||
| 76 | S | 49.2 | Very low | 54.3 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | trans | -127.3 | 145.7 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | V78 | S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 3.11Å | ||
| 77 | A | 54.1 | Low | 55.4 | Low | 92 Ų | 92 | 104.6 Ų | 104.6 | 76% | 0.76 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 51.9 | 40.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R79 | A77-R79 WeakPolarHBondContact O-CG 3.37Å; A77-R79 PolarHBondContact O-N 3.47Å |
| 78 | V | 56.1 | Low | 56.3 | Low | 59 Ų | 59 | 99.7 Ų | 99.7 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | trans | -53.8 | 127.9 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | L75 S76 D82 L107 V109 | L75-V78 HydrophobicContact CB-CG2 3.64Å; L75-V78 HydrophobicContact CD1-CG2 4.35Å; S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 3.11Å; V78-D82 HydrophobicContact CG1-CB 4.29Å; V78-L107 HydrophobicContact CG1-CD2 4.31Å; V78-V109 HydrophobicContact CG1-CG1 4.36Å; V78-V109 HydrophobicContact CG1-CG2 3.69Å | ||
| 79 | R | 61.3 | Low | 57.4 | Low | 139 Ų | 139 | 100.8 Ų | 100.8 | 53% | 0.525 | 51% | 0.512 | S | S | . | . | trans | -118.4 | 172.8 | 177.8 | -54.9 | 159.2 | -63.3 | 166.2 | 9.1 | 110.3 | A77 Q81 D82 | A77-R79 WeakPolarHBondContact O-CG 3.37Å; A77-R79 PolarHBondContact O-N 3.47Å; R79-Q81 VanDerWaalsContact CB-OE1 3.27Å; R79-Q81 PolarHBondContact O-N 3.44Å; R79-Q81 VanDerWaalsContact O-N 3.16Å; R79-D82 WeakPolarHBondContact CB-OD2 3.48Å; R79-D82 IonicContact CZ-OD1 3.89Å; R79-D82 IonicContact CZ-OD2 3.15Å; R79-D82 PolarHBondContact N-OD2 3.16Å; R79-D82 IonicContact NE-OD1 3.19Å; R79-D82 IonicContact NE-OD2 2.74Å; R79-D82 PolarHBondContact NE-OD2 2.64Å; R79-D82 IonicContact NH2-OD1 3.67Å; R79-D82 PolarHBondContact NH2-OD1 3.09Å; R79-D82 IonicContact NH2-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.19Å; R79-D82 PolarHBondContact O-N 3.42Å | ||
| 80 | L | 64 | Low | 58 | Low | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -58.4 | -22.4 | 171.5 | -73.9 | 161.6 | 0 | 0 | 0 | 114 | D82 V109 | L80-D82 PolarHBondContact O-N 3.48Å; L80-V109 HydrophobicContact CD2-CB 4.32Å; L80-V109 HydrophobicContact CD2-CG1 4.41Å; L80-V109 WeakPolarHBondContact CD2-O 3.39Å |
| 81 | Q | 69.1 | Low | 58.5 | Low | 137 Ų | 137 | 99.8 Ų | 99.8 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -76.5 | -12.7 | 174.8 | -64.2 | 75.2 | 44.5 | 0 | 0 | 113.3 | R79 | R79-Q81 VanDerWaalsContact CB-OE1 3.27Å; R79-Q81 PolarHBondContact O-N 3.44Å; R79-Q81 VanDerWaalsContact O-N 3.16Å |
| 82 | D | 59.9 | Low | 59 | Low | 37 Ų | 37 | 96.6 Ų | 96.6 | 20% | 0.198 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -102.4 | 13 | -178.3 | -41 | -51.2 | 0 | 0 | 0 | 110.6 | V78 R79 L80 Y86 | V78-D82 HydrophobicContact CG1-CB 4.29Å; R79-D82 WeakPolarHBondContact CB-OD2 3.48Å; R79-D82 IonicContact CZ-OD1 3.89Å; R79-D82 IonicContact CZ-OD2 3.15Å; R79-D82 PolarHBondContact N-OD2 3.16Å; R79-D82 IonicContact NE-OD1 3.19Å; R79-D82 IonicContact NE-OD2 2.74Å; R79-D82 PolarHBondContact NE-OD2 2.64Å; R79-D82 IonicContact NH2-OD1 3.67Å; R79-D82 PolarHBondContact NH2-OD1 3.09Å; R79-D82 IonicContact NH2-OD2 2.89Å; R79-D82 WeakPolarHBondContact O-CB 3.19Å; R79-D82 PolarHBondContact O-N 3.42Å; L80-D82 PolarHBondContact O-N 3.48Å; D82-Y86 PolarHBondContact O-OH 3.44Å; D82-Y86 VanDerWaalsContact O-OH 3.09Å |
| 83 | E | 66.9 | Low | 58.8 | Low | 87 Ų | 87 | 96 Ų | 96 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | trans | -77.2 | 131.9 | 168.7 | 168 | 146.7 | 177.7 | 0 | 0 | 110.5 | L107 R108 V109 | E83-L107 WeakPolarHBondContact CA-O 3.37Å; E83-L107 WeakPolarHBondContact CG-O 3.21Å; E83-R108 WeakPolarHBondContact OE1-CG 3.39Å; E83-R108 WeakPolarHBondContact OE2-CA 3.21Å; E83-V109 HydrophobicContact CB-CB 4.45Å; E83-V109 HydrophobicContact CB-CG2 4.05Å; E83-V109 PolarHBondContact OE2-N 2.89Å | ||
| 84 | G | 62.2 | Low | 58.9 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 26% | 0.258 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y86 L107 | G84-Y86 WeakPolarHBondContact O-CD2 3.39Å; G84-L107 PolarHBondContact N-O 2.74Å; G84-L107 VanDerWaalsContact N-O 3.08Å; G84-L107 PolarHBondContact O-N 2.87Å |
| 85 | V | 67.3 | Low | 58.7 | Low | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.8 | 175.4 | -179 | 0 | 0 | 0 | 0 | 109.7 | Q104 L106 | V85-Q104 HydrophobicContact CG1-CB 3.9Å; V85-Q104 HydrophobicContact CG1-CG 4.25Å; V85-L106 HydrophobicContact CG2-CD1 3.86Å |
| 86 | Y | 63.7 | Low | 58.8 | Low | 78 Ų | 78 | 96.4 Ų | 96.4 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.6 | 176.3 | -73.9 | -100.5 | 0 | 0 | 0 | 109.4 | L73 L75 D82 G84 Q104 A105 L107 | L73-Y86 HydrophobicContact CD2-CD1 4.02Å; L73-Y86 HydrophobicContact CD2-CE1 4.43Å; L75-Y86 HydrophobicContact CD1-CE1 3.98Å; L75-Y86 HydrophobicContact CD2-CE1 4.3Å; D82-Y86 PolarHBondContact O-OH 3.44Å; D82-Y86 VanDerWaalsContact O-OH 3.09Å; G84-Y86 WeakPolarHBondContact O-CD2 3.39Å; Y86-Q104 CarbonylContact O-C 3.57Å; Y86-Q104 WeakPolarHBondContact O-CA 3.43Å; Y86-A105 PolarHBondContact N-O 2.83Å; Y86-A105 PolarHBondContact O-N 2.84Å; Y86-L107 HydrophobicContact CD2-CB 3.86Å; Y86-L107 HydrophobicContact CD2-CD2 4.49Å; Y86-L107 HydrophobicContact CE2-CB 3.72Å; Y86-L107 HydrophobicContact CE2-CD2 3.72Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å |
| 87 | E | 59.8 | Low | 58.9 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.4 | 177.9 | -173.6 | 173.6 | 90.8 | 0 | 0 | 111.1 | R89 Q104 | E87-R89 HydrophobicContact CG-CG 3.93Å; E87-R89 WeakPolarHBondContact OE1-CD 3.47Å; E87-R89 WeakPolarHBondContact OE1-CG 3.4Å; E87-R89 IonicContact OE1-NE 3.8Å; E87-Q104 HydrophobicContact CB-CG 4.04Å; E87-Q104 HydrophobicContact CG-CG 3.94Å; E87-Q104 PolarHBondContact OE2-NE2 3Å |
| 88 | C | 58.9 | Low | 59 | Low | 74 Ų | 74 | 96.3 Ų | 96.3 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.4 | 159.9 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | K102 A103 | C88-K102 WeakPolarHBondContact O-CA 3.38Å; C88-A103 HydrophobicContact CB-CB 4.46Å; C88-A103 PolarHBondContact N-O 2.76Å; C88-A103 PolarHBondContact O-N 3.16Å |
| 89 | R | 58.3 | Low | 58.8 | Low | 144 Ų | 144 | 98.3 Ų | 98.3 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 174.5 | -60.6 | 171.6 | 68.6 | 150.3 | -5 | 108 | E87 E100 K102 | E87-R89 HydrophobicContact CG-CG 3.93Å; E87-R89 WeakPolarHBondContact OE1-CD 3.47Å; E87-R89 WeakPolarHBondContact OE1-CG 3.4Å; E87-R89 IonicContact OE1-NE 3.8Å; R89-E100 IonicContact CZ-OE1 2.74Å; R89-E100 IonicContact CZ-OE2 3.6Å; R89-E100 IonicContact NE-OE1 2.72Å; R89-E100 PolarHBondContact NE-OE1 3.08Å; R89-E100 IonicContact NE-OE2 3.1Å; R89-E100 IonicContact NH2-OE1 3.59Å; R89-E100 PolarHBondContact NH2-OE1 3.47Å; R89-E100 IonicContact NH2-OE2 3.33Å; R89-E100 PolarHBondContact NH2-OE2 2.87Å; R89-K102 HydrophobicContact CG-CG 4.4Å |
| 90 | V | 60.1 | Low | 58.5 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.9 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 107 | E100 H101 | V90-E100 CarbonylContact O-C 3.6Å; V90-E100 WeakPolarHBondContact O-CA 3.36Å; V90-H101 HydrophobicContact CB-CB 4.4Å; V90-H101 PolarHBondContact N-O 2.74Å; V90-H101 PolarHBondContact O-N 3.25Å |
| 91 | S | 61 | Low | 58.1 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.7 | 178 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | Y93 Q99 | S91-Y93 PolarHBondContact O-N 2.9Å; S91-Y93 VanDerWaalsContact O-N 3.16Å; S91-Q99 CarbonylContact C-O 3.53Å; S91-Q99 WeakPolarHBondContact CA-O 3.41Å |
| 92 | D | 54.2 | Low | 57.4 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 101.3 | 178.3 | -70.2 | -9 | 0 | 0 | 0 | 108.1 | S94 T98 Q99 H101 | D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.85Å; D92-T98 WeakPolarHBondContact O-CA 3.11Å; D92-Q99 PolarHBondContact N-O 2.81Å; D92-Q99 PolarHBondContact O-N 2.9Å; D92-H101 IonicContact OD2-CD2 3.99Å; D92-H101 PolarHBondContact OD2-CD2 3.11Å; D92-H101 IonicContact OD2-NE2 2.8Å |
| 93 | Y | 47.8 | Very low | 57.2 | Low | 160 Ų | 160 | 93.2 Ų | 93.2 | 63% | 0.627 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 78.5 | 178.7 | -164.4 | -92.1 | 0 | 0 | 0 | 109.8 | S91 T98 | S91-Y93 PolarHBondContact O-N 2.9Å; S91-Y93 VanDerWaalsContact O-N 3.16Å; Y93-T98 HydrophobicContact CD2-CG2 3.7Å; Y93-T98 HydrophobicContact CE2-CG2 4.03Å |
| 94 | S | 54.6 | Low | 56.6 | Low | 60 Ų | 60 | 93.5 Ų | 93.5 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | trans | -80.1 | 151.7 | 159.7 | 89.9 | 0 | 0 | 0 | 0 | 109.6 | D92 D96 D97 | D92-S94 VanDerWaalsContact C-N 3.29Å; D92-S94 PolarHBondContact O-N 2.85Å; S94-D96 VanDerWaalsContact C-N 3.26Å; S94-D96 PolarHBondContact O-N 2.68Å; S94-D97 PolarHBondContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-O 2.72Å | ||
| 95 | D | 51.8 | Low | 56.2 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 82% | 0.824 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -69.2 | -19.4 | -170.4 | -68.8 | -57.7 | 0 | 0 | 0 | 114.3 | ||
| 96 | D | 53.8 | Low | 55.6 | Low | 167 Ų | 167 | 92 Ų | 92 | 89% | 0.893 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -106.1 | -32.7 | 177.3 | -78 | -67.6 | 0 | 0 | 0 | 114 | S94 | S94-D96 VanDerWaalsContact C-N 3.26Å; S94-D96 PolarHBondContact O-N 2.68Å |
| 97 | D | 51.8 | Low | 55.8 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | trans | -142 | 118.1 | -174.1 | -112.8 | -38.6 | 0 | 0 | 0 | 112.1 | S94 Q99 | S94-D97 PolarHBondContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-O 2.72Å; D97-Q99 PolarHBondContact O-N 3.29Å | ||
| 98 | T | 56.4 | Low | 55.7 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 91.2 | 176.6 | 57 | 0 | 0 | 0 | 0 | 110.9 | D92 Y93 | D92-T98 WeakPolarHBondContact O-CA 3.11Å; Y93-T98 HydrophobicContact CD2-CG2 3.7Å; Y93-T98 HydrophobicContact CE2-CG2 4.03Å |
| 99 | Q | 52.7 | Low | 56 | Low | 102 Ų | 102 | 87.7 Ų | 87.7 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 138.4 | 178.2 | -63.6 | -59.5 | -33.9 | 0 | 0 | 111 | S91 D92 D97 | S91-Q99 CarbonylContact C-O 3.53Å; S91-Q99 WeakPolarHBondContact CA-O 3.41Å; D92-Q99 PolarHBondContact N-O 2.81Å; D92-Q99 PolarHBondContact O-N 2.9Å; D97-Q99 PolarHBondContact O-N 3.29Å |
| 100 | E | 55.2 | Low | 56.2 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 33% | 0.332 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 103.7 | -179 | -174.1 | 171.5 | -123.9 | 0 | 0 | 111.7 | R89 V90 K102 | R89-E100 IonicContact CZ-OE1 2.74Å; R89-E100 IonicContact CZ-OE2 3.6Å; R89-E100 IonicContact NE-OE1 2.72Å; R89-E100 PolarHBondContact NE-OE1 3.08Å; R89-E100 IonicContact NE-OE2 3.1Å; R89-E100 IonicContact NH2-OE1 3.59Å; R89-E100 PolarHBondContact NH2-OE1 3.47Å; R89-E100 IonicContact NH2-OE2 3.33Å; R89-E100 PolarHBondContact NH2-OE2 2.87Å; V90-E100 CarbonylContact O-C 3.6Å; V90-E100 WeakPolarHBondContact O-CA 3.36Å; E100-K102 HydrophobicContact CG-CG 4.3Å; E100-K102 WeakPolarHBondContact OE2-CE 3.42Å; E100-K102 IonicContact OE2-NZ 3.57Å; E100-K102 PolarHBondContact OE2-NZ 3.38Å |
| 101 | H | 53.9 | Low | 56 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.8 | 176 | -67.4 | -77.3 | 0 | 0 | 0 | 110.6 | V90 D92 | V90-H101 HydrophobicContact CB-CB 4.4Å; V90-H101 PolarHBondContact N-O 2.74Å; V90-H101 PolarHBondContact O-N 3.25Å; D92-H101 IonicContact OD2-CD2 3.99Å; D92-H101 PolarHBondContact OD2-CD2 3.11Å; D92-H101 IonicContact OD2-NE2 2.8Å |
| 102 | K | 55.9 | Low | 55.9 | Low | 103 Ų | 103 | 90 Ų | 90 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.9 | -176.5 | -62.2 | -175.3 | -178.1 | 175.9 | 0 | 111.5 | C88 R89 E100 | C88-K102 WeakPolarHBondContact O-CA 3.38Å; R89-K102 HydrophobicContact CG-CG 4.4Å; E100-K102 HydrophobicContact CG-CG 4.3Å; E100-K102 WeakPolarHBondContact OE2-CE 3.42Å; E100-K102 IonicContact OE2-NZ 3.57Å; E100-K102 PolarHBondContact OE2-NZ 3.38Å |
| 103 | A | 54.3 | Low | 55.7 | Low | 26 Ų | 26 | 94.9 Ų | 94.9 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | M26 C88 | M26-A103 HydrophobicContact CE-CB 4.03Å; M26-A103 HydrophobicContact SD-CB 3.92Å; C88-A103 HydrophobicContact CB-CB 4.46Å; C88-A103 PolarHBondContact N-O 2.76Å; C88-A103 PolarHBondContact O-N 3.16Å |
| 104 | Q | 54.3 | Low | 55.8 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.4 | -178.4 | -68.4 | -176.7 | 4.6 | 0 | 0 | 111.5 | M26 V85 Y86 E87 | M26-Q104 WeakPolarHBondContact CE-O 3.29Å; V85-Q104 HydrophobicContact CG1-CB 3.9Å; V85-Q104 HydrophobicContact CG1-CG 4.25Å; Y86-Q104 CarbonylContact O-C 3.57Å; Y86-Q104 WeakPolarHBondContact O-CA 3.43Å; E87-Q104 HydrophobicContact CB-CG 4.04Å; E87-Q104 HydrophobicContact CG-CG 3.94Å; E87-Q104 PolarHBondContact OE2-NE2 3Å |
| 105 | A | 54.9 | Low | 55.4 | Low | 33 Ų | 33 | 93 Ų | 93 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y86 | Y86-A105 PolarHBondContact N-O 2.83Å; Y86-A105 PolarHBondContact O-N 2.84Å |
| 106 | L | 54.3 | Low | 55.5 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.1 | 176.7 | -179.7 | 66.7 | 0 | 0 | 0 | 110.6 | V85 R108 | V85-L106 HydrophobicContact CG2-CD1 3.86Å; L106-R108 HydrophobicContact CD2-CG 4.08Å; L106-R108 HydrophobicContact CG-CG 4.1Å |
| 107 | L | 67.6 | Low | 55.6 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.5 | 169.5 | 175.6 | 59.4 | 0 | 0 | 0 | 109.5 | L12 L75 V78 E83 G84 Y86 V109 | L12-L107 HydrophobicContact CD1-CD1 4.3Å; L75-L107 HydrophobicContact CD1-CD2 3.61Å; V78-L107 HydrophobicContact CG1-CD2 4.31Å; E83-L107 WeakPolarHBondContact CA-O 3.37Å; E83-L107 WeakPolarHBondContact CG-O 3.21Å; G84-L107 PolarHBondContact N-O 2.74Å; G84-L107 VanDerWaalsContact N-O 3.08Å; G84-L107 PolarHBondContact O-N 2.87Å; Y86-L107 HydrophobicContact CD2-CB 3.86Å; Y86-L107 HydrophobicContact CD2-CD2 4.49Å; Y86-L107 HydrophobicContact CE2-CB 3.72Å; Y86-L107 HydrophobicContact CE2-CD2 3.72Å; Y86-L107 HydrophobicContact CE2-CG 4.33Å; L107-V109 HydrophobicContact CG-CG2 4.32Å |
| 108 | R | 59 | Low | 55.8 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 34% | 0.336 | 48% | 0.483 | S | S | . | . | trans | -103.9 | 142.2 | 167.9 | -59.8 | -161.9 | -172.3 | 124.2 | 10.4 | 111.9 | E9 E83 L106 | E9-R108 VanDerWaalsContact CD-NH2 3.34Å; E9-R108 IonicContact OE1-CZ 2.78Å; E9-R108 IonicContact OE1-NH1 2.68Å; E9-R108 PolarHBondContact OE1-NH1 2.79Å; E9-R108 IonicContact OE1-NH2 3.27Å; E9-R108 IonicContact OE2-CZ 3.67Å; E9-R108 VanDerWaalsContact OE2-CZ 3.27Å; E9-R108 IonicContact OE2-NH1 3.61Å; E9-R108 PolarHBondContact OE2-NH1 3.33Å; E9-R108 VanDerWaalsContact OE2-NH1 3.1Å; E9-R108 IonicContact OE2-NH2 3.71Å; E9-R108 PolarHBondContact OE2-NH2 3.01Å; E83-R108 WeakPolarHBondContact OE1-CG 3.39Å; E83-R108 WeakPolarHBondContact OE2-CA 3.21Å; L106-R108 HydrophobicContact CD2-CG 4.08Å; L106-R108 HydrophobicContact CG-CG 4.1Å | ||
| 109 | V | 64.7 | Low | 56 | Low | 28 Ų | 28 | 95.2 Ų | 95.2 | 17% | 0.17 | 49% | 0.493 | C | S | . | . | trans | -116.3 | 85.4 | -171.6 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | V78 L80 E83 L107 S111 | V78-V109 HydrophobicContact CG1-CG1 4.36Å; V78-V109 HydrophobicContact CG1-CG2 3.69Å; L80-V109 HydrophobicContact CD2-CB 4.32Å; L80-V109 HydrophobicContact CD2-CG1 4.41Å; L80-V109 WeakPolarHBondContact CD2-O 3.39Å; E83-V109 HydrophobicContact CB-CB 4.45Å; E83-V109 HydrophobicContact CB-CG2 4.05Å; E83-V109 PolarHBondContact OE2-N 2.89Å; L107-V109 HydrophobicContact CG-CG2 4.32Å; V109-S111 PolarHBondContact O-N 2.91Å; V109-S111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | L | 62.7 | Low | 56.2 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | trans | -74 | 102.5 | -176.1 | -59.9 | 179.5 | 0 | 0 | 0 | 112.6 | R112 | L110-R112 PolarHBondContact O-N 2.85Š| ||
| 111 | S | 55.7 | Low | 56.2 | Low | 83 Ų | 83 | 94.9 Ų | 94.9 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | trans | -67.9 | 98 | 169.3 | -175.3 | 0 | 0 | 0 | 0 | 111 | V109 F113 | V109-S111 PolarHBondContact O-N 2.91Å; V109-S111 VanDerWaalsContact O-N 3.11Å; S111-F113 PolarHBondContact O-N 3.02Å; S111-F113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | R | 58.9 | Low | 56.3 | Low | 169 Ų | 169 | 98.7 Ų | 98.7 | 64% | 0.638 | 54% | 0.538 | S | S | * | . | trans | -77.9 | 21.5 | 175.2 | -68.5 | -169.1 | 172.7 | -130.9 | -1.2 | 114 | S13 L110 | S13-R112 PolarHBondContact OG-NE 3.29Å; S13-R112 PolarHBondContact OG-NH2 3.17Å; S13-R112 VanDerWaalsContact OG-NH2 3.15Å; L110-R112 PolarHBondContact O-N 2.85Å | ||
| 113 | F | 49 | Very low | 56.4 | Low | 182 Ų | 182 | 98 Ų | 98 | 80% | 0.798 | 55% | 0.552 | S | S | * | * | trans | -130.6 | 41.8 | -175.4 | -117.7 | -81.1 | 0 | 0 | 0 | 113.4 | S111 P115 | S111-F113 PolarHBondContact O-N 3.02Å; S111-F113 VanDerWaalsContact O-N 3.11Å; F113-P115 WeakPolarHBondContact O-CD 3.37Å | ||
| 114 | A | 50.1 | Low | 56.6 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 69% | 0.686 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -71.2 | 119.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 115 | P | 46.1 | Very low | 56.5 | Low | 99 Ų | 99 | 101.8 Ų | 101.8 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.1 | 167.9 | -20.1 | 32.4 | 0 | 0 | 0 | 108.3 | F113 N117 | F113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-N117 PolarHBondContact O-N 2.89Å |
| 116 | P | 53.7 | Low | 56.8 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.4 | 160.7 | 27.5 | -33 | 0 | 0 | 0 | 106.8 | M118 | P116-M118 PolarHBondContact O-N 2.65Š|
| 117 | N | 56.2 | Low | 57.2 | Low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 63% | 0.626 | S | S | * | * | trans | -51.2 | 104.7 | 178.4 | 178.2 | 1.8 | 0 | 0 | 0 | 108.6 | P115 Q119 | P115-N117 PolarHBondContact O-N 2.89Å; N117-Q119 PolarHBondContact ND2-NE2 3.2Å; N117-Q119 PolarHBondContact O-N 2.74Å | ||
| 118 | M | 55.7 | Low | 56.9 | Low | 163 Ų | 163 | 118.5 Ų | 118.5 | 80% | 0.803 | 66% | 0.656 | S | S | * | * | trans | -75.4 | 80.2 | 179.8 | -86.6 | -169.1 | 166.4 | 0 | 0 | 108.2 | P116 A120 | P116-M118 PolarHBondContact O-N 2.65Å; M118-A120 HydrophobicContact CB-CB 4.35Å; M118-A120 PolarHBondContact O-N 3.27Å | ||
| 119 | Q | 61.1 | Low | 56.6 | Low | 165 Ų | 165 | 119.9 Ų | 119.9 | 77% | 0.771 | 68% | 0.679 | S | S | * | * | trans | -69.2 | 59.1 | 157 | -60.4 | -177.3 | 8.5 | 0 | 0 | 108.2 | N117 A121 | N117-Q119 PolarHBondContact ND2-NE2 3.2Å; N117-Q119 PolarHBondContact O-N 2.74Å; Q119-A121 PolarHBondContact O-N 3.27Å | ||
| 120 | A | 56.6 | Low | 56.1 | Low | 79 Ų | 79 | 123.7 Ų | 123.7 | 65% | 0.653 | 71% | 0.707 | S | S | * | * | trans | -78.3 | 105.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | M118 | M118-A120 HydrophobicContact CB-CB 4.35Å; M118-A120 PolarHBondContact O-N 3.27Å | ||
| 121 | A | 56.4 | Low | 55.7 | Low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | trans | 60.7 | 85.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q119 | Q119-A121 PolarHBondContact O-N 3.27Š| ||
| 122 | E | 56 | Low | 56 | Low | 187 Ų | 187 | 125.1 Ų | 125.1 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | -95.6 | 83 | 120.2 | -71.1 | -150.3 | 120.1 | 0 | 0 | 108.6 | V124 | E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.31Å | |||
| 123 | A | 57.6 | Low | 55.9 | Low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -73.5 | 88.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S125 | A123-S125 PolarHBondContact O-N 2.99Š| ||
| 124 | V | 57.1 | Low | 56.2 | Low | 99 Ų | 99 | 130.2 Ų | 130.2 | 60% | 0.6 | 75% | 0.747 | S | S | * | * | trans | -57.8 | 103.8 | -173.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | E122 H126 | E122-V124 VanDerWaalsContact C-N 3.31Å; E122-V124 PolarHBondContact O-N 3.31Å; V124-H126 HydrophobicContact CG1-CB 4.46Å; V124-H126 VanDerWaalsContact CG1-CE1 3.42Å; V124-H126 WeakPolarHBondContact CG1-CE1 3.42Å; V124-H126 WeakPolarHBondContact CG1-NE2 2.8Å; V124-H126 PolarHBondContact O-N 2.8Å | ||
| 125 | S | 54 | Low | 55.8 | Low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -75 | 90.3 | 179.3 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | A123 | A123-S125 PolarHBondContact O-N 2.99Š| ||
| 126 | H | 61.3 | Low | 55.4 | Low | 145 Ų | 145 | 133.5 Ų | 133.5 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -117.5 | 56.6 | 177.8 | -77.3 | 4.1 | 0 | 0 | 0 | 111.5 | V124 Q128 | V124-H126 HydrophobicContact CG1-CB 4.46Å; V124-H126 VanDerWaalsContact CG1-CE1 3.42Å; V124-H126 WeakPolarHBondContact CG1-CE1 3.42Å; V124-H126 WeakPolarHBondContact CG1-NE2 2.8Å; V124-H126 PolarHBondContact O-N 2.8Å; H126-Q128 PolarHBondContact O-N 2.86Å | ||
| 127 | I | 62.4 | Low | 54.9 | Low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 81.3 | 166.8 | -50.2 | 178.4 | 0 | 0 | 0 | 108.4 | S129 | I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 3.17Å | ||
| 128 | Q | 60.5 | Low | 54.3 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -71.5 | 80.8 | 176.4 | -70.3 | -170.9 | -8.2 | 0 | 0 | 111.4 | H126 S130 | H126-Q128 PolarHBondContact O-N 2.86Å; Q128-S130 PolarHBondContact O-N 3.29Å | ||
| 129 | S | 52.8 | Low | 53.6 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -89 | 86.6 | 169.4 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | I127 | I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 3.17Å | ||
| 130 | S | 54.8 | Low | 52.7 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -132.8 | 98.5 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | Q128 | Q128-S130 PolarHBondContact O-N 3.29Š| ||
| 131 | G | 54.3 | Low | 51.9 | Low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 171.5 | 103.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 132 | P | 62.1 | Low | 51.1 | Low | 134 Ų | 134 | 130.1 Ų | 130.1 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -85.8 | 139.8 | 179.8 | 33.1 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 133 | R | 56.2 | Low | 50.7 | Low | 226 Ų | 226 | 126.5 Ų | 126.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -131.9 | 100.4 | 172.3 | -174.3 | 171 | -77.3 | -102.6 | 3.5 | 111.7 | ||||
| 134 | R | 55.3 | Low | 50.2 | Low | 233 Ų | 233 | 130.7 Ų | 130.7 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -87.9 | 109.3 | 176.3 | -67.1 | 174.2 | 67.2 | -130.3 | 5.6 | 111.7 | ||||
| 135 | H | 42.4 | Very low | 49.6 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -154.5 | 131 | 153.9 | -62.5 | -76.5 | 0 | 0 | 0 | 108 | ||||
| 136 | G | 37.7 | Very low | 48.7 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | -175.1 | 169 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 137 | A | 43.1 | Very low | 47.6 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 50.6 | 93.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 138 | S | 42.8 | Very low | 46.4 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | 55.2 | 129.3 | 114.2 | -49.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 139 | S | 42.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 97 | 143.4 | 136.5 | -63.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 140 | A | 41.1 | Very low | 45 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 69.5 | 147.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 141 | V | 39.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | cis | -162.2 | 158.3 | -27.5 | 65.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 142 | S | 38.9 | Very low | 43.4 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | 24 | 118.1 | 164.3 | -64.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 143 | S | 48.3 | Very low | 42 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | 24.6 | 123.7 | 119.7 | -46.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 144 | N | 48.2 | Very low | 41.1 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | -145.4 | 165.2 | 139.3 | -106.2 | -39.6 | 0 | 0 | 0 | 111.3 | ||||
| 145 | N | 42.8 | Very low | 40 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -117.1 | 175.2 | -155.3 | -164.2 | 11.8 | 0 | 0 | 0 | 113.3 | ||||
| 146 | A | 35.8 | Very low | 39.8 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 76.3 | 145.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 147 | G | 38 | Very low | 39.9 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -163.5 | 174.3 | 3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 148 | A | 37.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 148.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 149 | A | 40.6 | Very low | 40.3 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -160.7 | 148.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 150 | V | 43.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -147.2 | 142.6 | 178.2 | 153.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 151 | R | 40.5 | Very low | 40.4 | Very low | 228 Ų | 228 | 132.9 Ų | 132.9 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 77.2 | 158.7 | -173 | -58.2 | 144.1 | -173.8 | 177.4 | 1 | 112.1 | ||||
| 152 | T | 35.2 | Very low | 40.7 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -151.2 | 171.7 | 28.6 | -19.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 153 | T | 32.9 | Very low | 41.4 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -19.2 | 162.5 | 150.8 | 51 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 154 | S | 36.4 | Very low | 41.7 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | cis | -172.3 | 178 | -9.9 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 155 | E | 32.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 61.1 | 125.1 | 155.4 | -68.7 | 164.2 | 125.9 | 0 | 0 | 120.5 | ||||
| 156 | T | 38.4 | Very low | 41.4 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | -154.2 | 119.1 | 114.8 | -12.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 157 | S | 39.2 | Very low | 42.1 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -80.5 | 156.1 | 164.2 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 158 | H | 53.4 | Low | 43.2 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -145.7 | 131.1 | 155.1 | -107.7 | 58 | 0 | 0 | 0 | 108.6 | ||||
| 159 | D | 41.2 | Very low | 43.6 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -95 | 172.2 | -164.5 | -59.1 | -96.5 | 0 | 0 | 0 | 113.4 | ||||
| 160 | D | 41 | Very low | 43.6 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 47.7 | 121.4 | 151.7 | -104.9 | -74.1 | 0 | 0 | 0 | 120.7 | ||||
| 161 | K | 45.5 | Very low | 43.3 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | 170.4 | 123.6 | 88.9 | -175.8 | 169.4 | -178.2 | 175.3 | 0 | 112.7 | |||||
| 162 | N | 45.6 | Very low | 43.2 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -98.8 | 152 | 170.5 | -169 | 19.6 | 0 | 0 | 0 | 110.9 | ||||
| 163 | P | 53.2 | Low | 43.4 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -136.6 | 143.4 | 132.7 | 36.6 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 164 | P | 54.9 | Low | 44.2 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -100.4 | -155.3 | -174.7 | 47.3 | -41.8 | 0 | 0 | 0 | 111.7 | ||||
| 165 | P | 50 | Low | 45 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -92.4 | 154.9 | -135.5 | 39.3 | -27.6 | 0 | 0 | 0 | 115.7 | ||||
| 166 | G | 35.1 | Very low | 45.4 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -103.3 | 135.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 167 | S | 50.2 | Low | 45.3 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -127.3 | 164.4 | 177.2 | -80.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 168 | P | 60.3 | Low | 45.3 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -101.4 | 156.1 | -152.4 | 37.9 | -37.5 | 0 | 0 | 0 | 117.6 | ||||
| 169 | P | 46.3 | Very low | 44.6 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 163.8 | 140.6 | 37.7 | -27.2 | 0 | 0 | 0 | 110.9 | ||||
| 170 | A | 41.2 | Very low | 44.5 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | cis | -148.2 | -153.2 | -11 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 171 | G | 36.1 | Very low | 44.7 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | 166.1 | 161.4 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 172 | S | 38.6 | Very low | 44.5 | Very low | 139 Ų | 139 | 112.9 Ų | 112.9 | 97% | 0.972 | 81% | 0.811 | S | S | * | * | trans | 65.9 | 147 | 179.1 | -62.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 173 | G | 39.2 | Very low | 44.7 | Very low | 78 Ų | 78 | 111.9 Ų | 111.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | -153.4 | 178.7 | 3.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 174 | V | 51.2 | Low | 44.3 | Very low | 143 Ų | 143 | 114.9 Ų | 114.9 | 87% | 0.867 | 85% | 0.849 | S | S | * | * | trans | -72.8 | 162.4 | -167.1 | -82.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 175 | P | 53.2 | Low | 43.7 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | trans | -86 | 160.2 | 175.9 | 36.3 | -36.7 | 0 | 0 | 0 | 113.7 | ||||
| 176 | E | 38.7 | Very low | 43.4 | Very low | 202 Ų | 202 | 114.8 Ų | 114.8 | 94% | 0.944 | 86% | 0.859 | S | S | * | * | trans | -136.2 | 163 | 177.2 | -162.4 | 157.9 | 107.8 | 0 | 0 | 113.8 | ||||
| 177 | A | 37 | Very low | 43.9 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 77% | 0.769 | 86% | 0.859 | S | S | * | * | trans | -72.8 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 178 | A | 38.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 76% | 0.76 | 86% | 0.863 | S | S | * | * | cis | -175.6 | 161.3 | -39 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 179 | A | 38.9 | Very low | 42.4 | Very low | 99 Ų | 99 | 116.4 Ų | 116.4 | 82% | 0.818 | 87% | 0.867 | S | S | * | * | trans | 67.9 | 163.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 180 | A | 40.3 | Very low | 42.2 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | trans | 67.7 | 146.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 181 | A | 43.5 | Very low | 42.3 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 87% | 0.868 | 87% | 0.87 | S | S | * | * | cis | -157.3 | -178 | -16.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | A | 43 | Very low | 42.7 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 88% | 0.876 | 89% | 0.887 | S | S | * | * | trans | -97 | 156 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 183 | S | 48 | Very low | 43.1 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 88% | 0.88 | S | S | * | * | trans | -139 | 125.5 | 154.9 | 53.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 184 | A | 45.1 | Very low | 43.4 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 100% | 1.43 | 89% | 0.887 | S | S | * | * | 72 | 0 | 57.4 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 184 of 184 residues in 230.4 ms
(Link to these results)