| 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 | 47.7 | Very low | 42.8 | Very low | 251 Ų | 251 | 140.8 Ų | 140.8 | 100% | 1.236 | 82% | 0.82 | S | S | * | * | 0 | 107.2 | 0 | -71.1 | -154.1 | -113.8 | 0 | 0 | 108.4 | |||||
| 2 | A | 38.9 | Very low | 43.3 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -135.1 | 108.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | L | 43.1 | Very low | 43.3 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 104.9 | 174.7 | -109.4 | 137.7 | 0 | 0 | 0 | 107.7 | M5 | L3-M5 HydrophobicContact CD2-CE 4.47Å; L3-M5 PolarHBondContact O-N 3.32Å | ||
| 4 | A | 41.3 | Very low | 44 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -80.5 | 103.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L6 | A4-L6 PolarHBondContact O-N 3.27Š| ||
| 5 | M | 44.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 137 Ų | 137 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -73.8 | 115 | 170.7 | -78 | -75.9 | 177.8 | 0 | 0 | 109.6 | L3 V7 | L3-M5 HydrophobicContact CD2-CE 4.47Å; L3-M5 PolarHBondContact O-N 3.32Å; M5-V7 PolarHBondContact O-N 3.24Å | ||
| 6 | L | 36.5 | Very low | 45 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 96.8 | 172.9 | -122.2 | 152.8 | 0 | 0 | 0 | 108.7 | A4 L8 | A4-L6 PolarHBondContact O-N 3.27Å; L6-L8 PolarHBondContact O-N 3.2Å | ||
| 7 | V | 44.9 | Very low | 45.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | -77.7 | 106.4 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | M5 V9 | M5-V7 PolarHBondContact O-N 3.24Å; V7-V9 HydrophobicContact CG1-CG2 4.02Å; V7-V9 PolarHBondContact O-N 3.34Å | ||
| 8 | L | 38.2 | Very low | 45.5 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -76.9 | 97.5 | 168.4 | -86.3 | 161.8 | 0 | 0 | 0 | 109.2 | L6 V10 | L6-L8 PolarHBondContact O-N 3.2Å; L8-V10 PolarHBondContact O-N 3.06Å | ||
| 9 | V | 45.6 | Very low | 46 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | -76.9 | 107.7 | 167.3 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | V7 | V7-V9 HydrophobicContact CG1-CG2 4.02Å; V7-V9 PolarHBondContact O-N 3.34Å | ||
| 10 | V | 47.9 | Very low | 46.3 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | -84.7 | 120.3 | 171.3 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | L8 | L8-V10 PolarHBondContact O-N 3.06Š| ||
| 11 | P | 42 | Very low | 46.7 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | trans | -68.8 | 142.6 | 178.8 | 27.3 | -32.2 | 0 | 0 | 0 | 110.7 | W13 | P11-W13 PolarHBondContact O-N 3.45Š| ||
| 12 | P | 48.8 | Very low | 47.1 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -79.5 | 96.4 | -178.9 | 31.6 | -30.7 | 0 | 0 | 0 | 109 | P14 | P12-P14 WeakPolarHBondContact O-CD 3.15Š| ||
| 13 | W | 43.2 | Very low | 47.9 | Very low | 225 Ų | 225 | 126 Ų | 126 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | trans | -71.3 | 113.7 | 170.9 | -120.7 | -24.2 | 0 | 0 | 0 | 109.6 | P11 | P11-W13 PolarHBondContact O-N 3.45Š| ||
| 14 | P | 53 | Low | 48.3 | Very low | 105 Ų | 105 | 126 Ų | 126 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -80.4 | -21.3 | -174.6 | -8.2 | 26.2 | 0 | 0 | 0 | 112.6 | P12 A16 | P12-P14 WeakPolarHBondContact O-CD 3.15Å; P14-A16 PolarHBondContact O-N 3.32Å |
| 15 | A | 53.5 | Low | 48.9 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.6 | -23.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 16 | A | 50.6 | Low | 49.4 | Very low | 56 Ų | 56 | 127.2 Ų | 127.2 | 46% | 0.463 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.9 | -25.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P14 L20 | P14-A16 PolarHBondContact O-N 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 3.21Å |
| 17 | R | 49.5 | Very low | 50 | Low | 186 Ų | 186 | 123.3 Ų | 123.3 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.9 | -36.6 | 178.5 | -96.5 | -174.3 | -116 | -133.3 | -0.7 | 112.7 | R21 | R17-R21 WeakPolarHBondContact O-CB 3.27Å; R17-R21 PolarHBondContact O-N 3.11Å |
| 18 | G | 49.9 | Very low | 50.4 | Low | 35 Ų | 35 | 123.4 Ų | 123.4 | 36% | 0.361 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.1 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R21 N22 | G18-R21 PolarHBondContact O-N 3.08Å; G18-N22 WeakPolarHBondContact O-CB 3.5Å; G18-N22 PolarHBondContact O-N 3.5Å; G18-N22 PolarHBondContact O-ND2 3.06Å |
| 19 | L | 54.1 | Low | 51.1 | Low | 133 Ų | 133 | 127 Ų | 127 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.4 | -41.8 | 177.8 | -87.1 | 158.1 | 0 | 0 | 0 | 112.3 | Y23 | L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.32Å; L19-Y23 VanDerWaalsContact O-N 3.08Å |
| 20 | L | 53.1 | Low | 51.1 | Low | 108 Ų | 108 | 128.4 Ų | 128.4 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.7 | -38.1 | 176.1 | -72.8 | 169.1 | 0 | 0 | 0 | 112.1 | A16 Y23 W24 | A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 3.21Å; L20-Y23 PolarHBondContact O-N 2.8Å; L20-W24 PolarHBondContact O-N 2.79Å |
| 21 | R | 54.7 | Low | 50.8 | Low | 166 Ų | 166 | 130 Ų | 130 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -41.1 | 176.4 | -170.9 | 178.6 | 173.7 | -179.9 | 5.4 | 112 | R17 G18 Y23 W24 E25 | R17-R21 WeakPolarHBondContact O-CB 3.27Å; R17-R21 PolarHBondContact O-N 3.11Å; G18-R21 PolarHBondContact O-N 3.08Å; R21-Y23 VanDerWaalsContact C-N 3.29Å; R21-Y23 PolarHBondContact O-N 3.01Å; R21-W24 PolarHBondContact O-N 2.79Å; R21-E25 HydrophobicContact CG-CG 4.47Å; R21-E25 IonicContact CZ-OE1 2.7Å; R21-E25 IonicContact NE-OE1 3.6Å; R21-E25 PolarHBondContact NE-OE1 2.92Å; R21-E25 IonicContact NH2-OE1 3.54Å; R21-E25 WeakPolarHBondContact O-CB 3.22Å; R21-E25 PolarHBondContact O-N 2.78Å |
| 22 | N | 56.8 | Low | 51 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | 176.2 | -68.4 | -14.2 | 0 | 0 | 0 | 112.1 | G18 R26 | G18-N22 WeakPolarHBondContact O-CB 3.5Å; G18-N22 PolarHBondContact O-N 3.5Å; G18-N22 PolarHBondContact O-ND2 3.06Å; N22-R26 WeakPolarHBondContact O-CB 3.26Å; N22-R26 PolarHBondContact O-N 2.95Å; N22-R26 VanDerWaalsContact O-N 3.11Å |
| 23 | Y | 55.3 | Low | 50.9 | Low | 157 Ų | 157 | 132.9 Ų | 132.9 | 62% | 0.616 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.9 | -44.7 | 172.6 | -166.1 | -99.8 | 0 | 0 | 0 | 111.3 | L19 L20 R21 R26 L27 | L19-Y23 WeakPolarHBondContact O-CB 3.37Å; L19-Y23 PolarHBondContact O-N 3.32Å; L19-Y23 VanDerWaalsContact O-N 3.08Å; L20-Y23 PolarHBondContact O-N 2.8Å; R21-Y23 VanDerWaalsContact C-N 3.29Å; R21-Y23 PolarHBondContact O-N 3.01Å; Y23-R26 PolarHBondContact O-N 3.16Å; Y23-L27 HydrophobicContact CE1-CD1 4.2Å; Y23-L27 WeakPolarHBondContact O-CB 3.23Å; Y23-L27 PolarHBondContact O-N 2.97Å |
| 24 | W | 50.2 | Low | 50.8 | Low | 160 Ų | 160 | 129 Ų | 129 | 61% | 0.606 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -41.2 | 177.2 | -89.3 | 102 | 0 | 0 | 0 | 113.7 | L20 R21 R26 L27 L28 | L20-W24 PolarHBondContact O-N 2.79Å; R21-W24 PolarHBondContact O-N 2.79Å; W24-R26 VanDerWaalsContact C-N 3.32Å; W24-R26 PolarHBondContact O-N 3.48Å; W24-L27 HydrophobicContact CE3-CD2 4.29Å; W24-L27 HydrophobicContact CZ3-CD2 4.18Å; W24-L27 WeakPolarHBondContact O-CB 3.49Å; W24-L27 PolarHBondContact O-N 3.23Å; W24-L28 WeakPolarHBondContact O-CB 3.34Å; W24-L28 PolarHBondContact O-N 2.79Å |
| 25 | E | 54.1 | Low | 50.4 | Low | 88 Ų | 88 | 134.4 Ų | 134.4 | 41% | 0.411 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.2 | -32.1 | 175.4 | -75.3 | -171.9 | -164.9 | 0 | 0 | 112.1 | R21 L28 R29 | R21-E25 HydrophobicContact CG-CG 4.47Å; R21-E25 IonicContact CZ-OE1 2.7Å; R21-E25 IonicContact NE-OE1 3.6Å; R21-E25 PolarHBondContact NE-OE1 2.92Å; R21-E25 IonicContact NH2-OE1 3.54Å; R21-E25 WeakPolarHBondContact O-CB 3.22Å; R21-E25 PolarHBondContact O-N 2.78Å; E25-L28 PolarHBondContact O-N 2.77Å; E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 2.86Å |
| 26 | R | 54.6 | Low | 49.9 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74 | -28 | 173.3 | -159.2 | 172 | -168.7 | -176.3 | 2.5 | 112.2 | N22 Y23 W24 K30 | N22-R26 WeakPolarHBondContact O-CB 3.26Å; N22-R26 PolarHBondContact O-N 2.95Å; N22-R26 VanDerWaalsContact O-N 3.11Å; Y23-R26 PolarHBondContact O-N 3.16Å; W24-R26 VanDerWaalsContact C-N 3.32Å; W24-R26 PolarHBondContact O-N 3.48Å; R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.28Å |
| 27 | L | 50.5 | Low | 49.6 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 43% | 0.429 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.4 | -41.1 | 170.1 | -146.7 | 94 | 0 | 0 | 0 | 111.3 | Y23 W24 K30 | Y23-L27 HydrophobicContact CE1-CD1 4.2Å; Y23-L27 WeakPolarHBondContact O-CB 3.23Å; Y23-L27 PolarHBondContact O-N 2.97Å; W24-L27 HydrophobicContact CE3-CD2 4.29Å; W24-L27 HydrophobicContact CZ3-CD2 4.18Å; W24-L27 WeakPolarHBondContact O-CB 3.49Å; W24-L27 PolarHBondContact O-N 3.23Å; L27-K30 WeakPolarHBondContact O-CB 3.35Å; L27-K30 PolarHBondContact O-N 2.84Å |
| 28 | L | 53.6 | Low | 49.1 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -35 | 179 | -127.2 | 78.1 | 0 | 0 | 0 | 112.4 | W24 E25 K30 F31 | W24-L28 WeakPolarHBondContact O-CB 3.34Å; W24-L28 PolarHBondContact O-N 2.79Å; E25-L28 PolarHBondContact O-N 2.77Å; L28-K30 PolarHBondContact O-N 3.09Å; L28-F31 WeakPolarHBondContact O-CB 3.48Å; L28-F31 PolarHBondContact O-N 2.99Å |
| 29 | R | 51.8 | Low | 48.8 | Very low | 226 Ų | 226 | 142.4 Ų | 142.4 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -12.4 | 171.2 | -77.4 | -171 | -179.7 | -158.9 | 1.7 | 113.8 | E25 | E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 2.86Å |
| 30 | K | 45.5 | Very low | 48.6 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -3.5 | 174.4 | -80.8 | -92.7 | -176.1 | 173.3 | 0 | 112.8 | R26 L27 L28 P32 | R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.28Å; L27-K30 WeakPolarHBondContact O-CB 3.35Å; L27-K30 PolarHBondContact O-N 2.84Å; L28-K30 PolarHBondContact O-N 3.09Å; K30-P32 WeakPolarHBondContact O-CD 3.43Å |
| 31 | F | 42.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 139 Ų | 139 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -71.3 | 117.9 | 166.7 | -108.9 | -95.3 | 0 | 0 | 0 | 109.1 | L28 Q33 | L28-F31 WeakPolarHBondContact O-CB 3.48Å; L28-F31 PolarHBondContact O-N 2.99Å; F31-Q33 PolarHBondContact O-N 2.69Å |
| 32 | P | 47 | Very low | 48.1 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 48% | 0.481 | 68% | 0.676 | S | S | . | * | trans | -65.5 | 123.2 | 167.6 | -7.7 | 23.1 | 0 | 0 | 0 | 107.8 | K30 N34 | K30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-N34 PolarHBondContact O-N 2.81Å | ||
| 33 | Q | 46.3 | Very low | 47.9 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 90% | 0.897 | 69% | 0.694 | S | S | * | * | trans | -61.5 | 109.4 | 158.8 | -72.3 | 176.4 | -11.4 | 0 | 0 | 106.6 | F31 R35 | F31-Q33 PolarHBondContact O-N 2.69Å; Q33-R35 PolarHBondContact O-N 2.91Å | ||
| 34 | N | 40.6 | Very low | 48.1 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | trans | -59.7 | 101.4 | 175.4 | -80 | -18.7 | 0 | 0 | 0 | 109.2 | P32 | P32-N34 PolarHBondContact O-N 2.81Š| ||
| 35 | R | 44.3 | Very low | 48.2 | Very low | 218 Ų | 218 | 137.1 Ų | 137.1 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | trans | -77.9 | 132.1 | 159.1 | -132.6 | -176 | -170.1 | -173.8 | 2.8 | 106.8 | Q33 G37 | Q33-R35 PolarHBondContact O-N 2.91Å; R35-G37 PolarHBondContact O-N 2.97Å; R35-G37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | P | 42.9 | Very low | 47.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 114.6 | 178.5 | 27.8 | -29.7 | 0 | 0 | 0 | 108 | ||
| 37 | G | 44.5 | Very low | 47.8 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.4 | -5.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | R35 | R35-G37 PolarHBondContact O-N 2.97Å; R35-G37 VanDerWaalsContact O-N 3.09Å |
| 38 | F | 40.1 | Very low | 47.7 | Very low | 187 Ų | 187 | 135 Ų | 135 | 82% | 0.82 | 73% | 0.73 | S | S | * | * | trans | -134.2 | 116.8 | 175.8 | -77.9 | -84 | 0 | 0 | 0 | 111.9 | S40 | F38-S40 PolarHBondContact O-N 3.37Š| ||
| 39 | P | 41.7 | Very low | 47.5 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 117 | 178.2 | 29.2 | -30.4 | 0 | 0 | 0 | 110.5 | ||
| 40 | S | 50.7 | Low | 47.2 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 46% | 0.462 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 142.1 | 168.9 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | F38 | F38-S40 PolarHBondContact O-N 3.37Š|
| 41 | P | 49.7 | Very low | 47.5 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 138.4 | -179.3 | 29.3 | -32.4 | 0 | 0 | 0 | 111.3 | W43 | P41-W43 PolarHBondContact O-N 3.43Š|
| 42 | P | 48.8 | Very low | 47.8 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -69 | 129.5 | -178.1 | 27 | -32.5 | 0 | 0 | 0 | 111 | G44 | P42-G44 PolarHBondContact O-N 3.05Š|
| 43 | W | 51.9 | Low | 48 | Very low | 244 Ų | 244 | 128.6 Ų | 128.6 | 92% | 0.924 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -81.5 | 99 | 171.3 | -89.6 | 56.9 | 0 | 0 | 0 | 110.1 | P41 | P41-W43 PolarHBondContact O-N 3.43Š|
| 44 | G | 59.8 | Low | 47.7 | Very low | 49 Ų | 49 | 126 Ų | 126 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | S | Bend | trans | 179.6 | 157 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | P42 A46 | P42-G44 PolarHBondContact O-N 3.05Å; G44-A46 PolarHBondContact O-N 3Å |
| 45 | P | 52.3 | Low | 47.5 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 80.4 | 173.7 | 31.7 | -31.1 | 0 | 0 | 0 | 108.1 | ||||
| 46 | A | 46.1 | Very low | 47.5 | Very low | 64 Ų | 64 | 125 Ų | 125 | 53% | 0.529 | 75% | 0.753 | S | S | . | * | trans | -87.7 | 117.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108 | G44 A48 | G44-A46 PolarHBondContact O-N 3Å; A46-A48 PolarHBondContact O-N 3.15Å | ||
| 47 | L | 53.4 | Low | 47.6 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | -64.5 | 92.3 | 159 | -107.4 | 120.4 | 0 | 0 | 0 | 107.2 | ||||
| 48 | A | 47.8 | Very low | 47.6 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -96.5 | 99.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | A46 Q50 | A46-A48 PolarHBondContact O-N 3.15Å; A48-Q50 PolarHBondContact O-N 3.14Å | ||
| 49 | V | 50.1 | Low | 47.5 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -76.2 | 103 | 162.2 | 174.1 | 0 | 0 | 0 | 0 | 106.2 | G51 | V49-G51 PolarHBondContact O-N 3.33Š| ||
| 50 | Q | 46.1 | Very low | 48 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -77.6 | 105.3 | 164.9 | -71.7 | -143.9 | -4.2 | 0 | 0 | 108.3 | A48 | A48-Q50 PolarHBondContact O-N 3.14Š| ||
| 51 | G | 51.4 | Low | 47.4 | Very low | 57 Ų | 57 | 129.3 Ų | 129.3 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | -84 | 145.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V49 A53 | V49-G51 PolarHBondContact O-N 3.33Å; G51-A53 PolarHBondContact O-N 3.21Å | ||
| 52 | P | 47.8 | Very low | 47.4 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -66.4 | 134.8 | 174.9 | 28 | -31.6 | 0 | 0 | 0 | 110.2 | I54 | P52-I54 PolarHBondContact O-N 3.41Š| ||
| 53 | A | 51.8 | Low | 47.4 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -79 | 89.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | G51 | G51-A53 PolarHBondContact O-N 3.21Š| ||
| 54 | I | 39.4 | Very low | 47 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -147.9 | 98.7 | 156.3 | -49.4 | -179.3 | 0 | 0 | 0 | 107.9 | P52 | P52-I54 PolarHBondContact O-N 3.41Š| ||
| 55 | F | 37.7 | Very low | 46.5 | Very low | 222 Ų | 222 | 125.1 Ų | 125.1 | 97% | 0.974 | 77% | 0.774 | S | S | * | * | trans | -82.3 | 104.7 | 153 | -93.7 | -83.7 | 0 | 0 | 0 | 106 | ||||
| 56 | T | 44.2 | Very low | 46.5 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -83.6 | 135 | 165 | -26.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 57 | E | 43.3 | Very low | 47 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -44.9 | 149.3 | 161.8 | -75.7 | -72.1 | 141.4 | 0 | 0 | 111.6 | A59 | E57-A59 PolarHBondContact O-N 3.3Š| ||
| 58 | P | 45.8 | Very low | 47.1 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -81.3 | 102.9 | -175.6 | 32.7 | -29.5 | 0 | 0 | 0 | 109.9 | N60 | P58-N60 PolarHBondContact O-N 3.08Š| ||
| 59 | A | 37.8 | Very low | 47.5 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 114.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E57 D61 | E57-A59 PolarHBondContact O-N 3.3Å; A59-D61 PolarHBondContact O-N 2.98Å; A59-D61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | N | 52.5 | Low | 48 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -78.3 | 87.6 | -176.2 | -163.1 | 19.5 | 0 | 0 | 0 | 108.8 | P58 | P58-N60 PolarHBondContact O-N 3.08Š| ||
| 61 | D | 37 | Very low | 48.6 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -117 | 123.2 | 170.7 | -74.4 | -38.5 | 0 | 0 | 0 | 111.2 | A59 | A59-D61 PolarHBondContact O-N 2.98Å; A59-D61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | T | 50.2 | Low | 49.1 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -65.9 | 145.9 | 179.4 | -38.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | S | 49.8 | Very low | 49.6 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 88.9 | 132.4 | 172.6 | 85.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 64 | G | 43.3 | Very low | 50.2 | Low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | 118.5 | 116.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 65 | S | 48.8 | Very low | 51.4 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -44.7 | 135.6 | 175 | 36 | 0 | 0 | 0 | 0 | 112.6 | E67 | S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.94Å | ||
| 66 | K | 53 | Low | 52.6 | Low | 196 Ų | 196 | 120.1 Ų | 120.1 | 85% | 0.852 | 69% | 0.692 | S | S | * | * | trans | -62.1 | 84.3 | 168.7 | -73.7 | 174.7 | 175.9 | 173.4 | 0 | 110 | N68 | K66-N68 PolarHBondContact O-N 3.31Å; K66-N68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | E | 56.5 | Low | 53.9 | Low | 152 Ų | 152 | 125 Ų | 125 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | trans | -86.7 | 72.3 | 166.5 | -63.9 | -177.1 | -147.2 | 0 | 0 | 107.9 | S65 S69 | S65-E67 PolarHBondContact O-N 3.48Å; S65-E67 PolarHBondContact OG-OE1 2.94Å; E67-S69 PolarHBondContact O-N 3.27Å | ||
| 68 | N | 54.4 | Low | 55.3 | Low | 136 Ų | 136 | 123.3 Ų | 123.3 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -65.3 | 77.8 | 154.3 | -66.6 | -29.2 | 0 | 0 | 0 | 106.2 | K66 S70 | K66-N68 PolarHBondContact O-N 3.31Å; K66-N68 VanDerWaalsContact O-N 3.15Å; N68-S70 PolarHBondContact O-N 2.82Å | ||
| 69 | S | 57.3 | Low | 57.2 | Low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | -65.5 | 77.8 | 167.9 | 43 | 0 | 0 | 0 | 0 | 106.7 | E67 | E67-S69 PolarHBondContact O-N 3.27Š| ||
| 70 | S | 59.3 | Low | 59.6 | Low | 45 Ų | 45 | 122.8 Ų | 122.8 | 32% | 0.315 | 70% | 0.696 | S | S | . | * | trans | -62.2 | 146.8 | -166.4 | 63.8 | 0 | 0 | 0 | 0 | 108.4 | N68 L72 D73 | N68-S70 PolarHBondContact O-N 2.82Å; S70-L72 PolarHBondContact O-N 3.44Å; S70-L72 WeakPolarHBondContact OG-CB 3.4Å; S70-D73 WeakPolarHBondContact O-CB 3.49Å; S70-D73 PolarHBondContact O-N 2.92Å | ||
| 71 | L | 60.2 | Low | 61.5 | Low | 133 Ų | 133 | 121.1 Ų | 121.1 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -48.9 | -21.2 | 172.5 | -64.9 | 167 | 0 | 0 | 0 | 112.8 | S74 I75 | L71-S74 PolarHBondContact O-N 3.46Å; L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 2.82Å |
| 72 | L | 60.3 | Low | 64.2 | Low | 105 Ų | 105 | 124.4 Ų | 124.4 | 55% | 0.55 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -64.4 | -41.1 | 172.6 | -56 | 170.5 | 0 | 0 | 0 | 112.4 | S70 S74 I75 F76 | S70-L72 PolarHBondContact O-N 3.44Å; S70-L72 WeakPolarHBondContact OG-CB 3.4Å; L72-S74 VanDerWaalsContact C-N 3.27Å; L72-S74 PolarHBondContact O-N 3.11Å; L72-I75 PolarHBondContact O-N 3.15Å; L72-I75 VanDerWaalsContact O-N 3.14Å; L72-F76 HydrophobicContact CB-CD2 4.38Å; L72-F76 HydrophobicContact CB-CE2 4.37Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.09Å |
| 73 | D | 59.4 | Low | 66.3 | Low | 83 Ų | 83 | 122.6 Ų | 122.6 | 44% | 0.444 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -62.2 | -35.1 | 174.7 | -73.6 | -33.6 | 0 | 0 | 0 | 111.2 | S70 W77 | S70-D73 WeakPolarHBondContact O-CB 3.49Å; S70-D73 PolarHBondContact O-N 2.92Å; D73-W77 PolarHBondContact O-N 3.5Å |
| 74 | S | 64.4 | Low | 68.5 | Low | 82 Ų | 82 | 128.3 Ų | 128.3 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.8 | -38.1 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | L71 L72 M78 | L71-S74 PolarHBondContact O-N 3.46Å; L72-S74 VanDerWaalsContact C-N 3.27Å; L72-S74 PolarHBondContact O-N 3.11Å; S74-M78 VanDerWaalsContact O-CG 3.24Å; S74-M78 WeakPolarHBondContact O-CG 3.15Å; S74-M78 PolarHBondContact O-N 3.42Å |
| 75 | I | 65.2 | Low | 71.1 | Confident | 110 Ų | 110 | 132 Ų | 132 | 56% | 0.564 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.4 | -39.1 | -178.3 | -66.4 | 163.8 | 0 | 0 | 0 | 111.9 | L71 L72 W77 M78 | L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 2.82Å; L72-I75 PolarHBondContact O-N 3.15Å; L72-I75 VanDerWaalsContact O-N 3.14Å; I75-W77 PolarHBondContact O-N 2.92Å; I75-M78 PolarHBondContact O-N 3.38Å |
| 76 | F | 63.1 | Low | 73.4 | Confident | 171 Ų | 171 | 131 Ų | 131 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.5 | -23.7 | 178.2 | -82.3 | -70.5 | 0 | 0 | 0 | 113.3 | L72 | L72-F76 HydrophobicContact CB-CD2 4.38Å; L72-F76 HydrophobicContact CB-CE2 4.37Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.09Å |
| 77 | W | 69.6 | Low | 75.6 | Confident | 221 Ų | 221 | 125.7 Ų | 125.7 | 84% | 0.837 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -1.1 | 177.4 | -68.8 | 61.9 | 0 | 0 | 0 | 113 | D73 I75 A79 | D73-W77 PolarHBondContact O-N 3.5Å; I75-W77 PolarHBondContact O-N 2.92Å; W77-A79 PolarHBondContact O-N 2.7Å |
| 78 | M | 73.8 | Confident | 77.6 | Confident | 136 Ų | 136 | 123.7 Ų | 123.7 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -76.3 | 123.2 | 174.3 | -66.2 | -150.1 | 74.3 | 0 | 0 | 111.2 | S74 I75 A80 | S74-M78 VanDerWaalsContact O-CG 3.24Å; S74-M78 WeakPolarHBondContact O-CG 3.15Å; S74-M78 PolarHBondContact O-N 3.42Å; I75-M78 PolarHBondContact O-N 3.38Å; M78-A80 PolarHBondContact O-N 3.37Å |
| 79 | A | 85.4 | Confident | 79.6 | Confident | 107 Ų | 107 | 120.9 Ų | 120.9 | 88% | 0.884 | 64% | 0.637 | S | S | * | * | trans | -62.8 | 112.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | W77 | W77-A79 PolarHBondContact O-N 2.7Š| ||
| 80 | A | 87.9 | Confident | 81.6 | Confident | 83 Ų | 83 | 117.6 Ų | 117.6 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | trans | -104.2 | 142.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M78 K82 | M78-A80 PolarHBondContact O-N 3.37Å; A80-K82 PolarHBondContact O-N 2.95Å; A80-K82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | P | 92.8 | Very high | 83.4 | Confident | 121 Ų | 121 | 121.8 Ų | 121.8 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | -57.4 | 119.8 | 171.8 | -22.6 | 32.9 | 0 | 0 | 0 | 110.7 | S83 | P81-S83 PolarHBondContact O-N 2.86Š| ||
| 82 | K | 92.9 | Very high | 85.2 | Confident | 214 Ų | 214 | 120 Ų | 120 | 93% | 0.93 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -62.9 | -29.8 | -176.5 | -172.4 | 61 | 176.3 | -177.2 | 0 | 113.3 | A80 | A80-K82 PolarHBondContact O-N 2.95Å; A80-K82 VanDerWaalsContact O-N 3.13Å |
| 83 | S | 95.4 | Very high | 87 | Confident | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -145.4 | 154.1 | -179.2 | 63.6 | 0 | 0 | 0 | 0 | 113 | P81 | P81-S83 PolarHBondContact O-N 2.86Š|
| 84 | R | 95.9 | Very high | 88.8 | Confident | 241 Ų | 241 | 123.8 Ų | 123.8 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.1 | 173 | -177.6 | -177.3 | -179.3 | -150.3 | 2.6 | 109.7 | ||
| 85 | R | 97.1 | Very high | 90.4 | Very high | 150 Ų | 150 | 128.4 Ų | 128.4 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 138 | 173.2 | -64.6 | -178.7 | -176.9 | 156.3 | -0.1 | 111.3 | V89 N90 | R85-V89 HydrophobicContact CB-CG1 4.45Å; R85-N90 PolarHBondContact O-ND2 3.22Å |
| 86 | T | 98.1 | Very high | 91.9 | Very high | 72 Ų | 72 | 126.4 Ų | 126.4 | 44% | 0.442 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 166.7 | 175.3 | 80.6 | 0 | 0 | 0 | 0 | 111.8 | E88 V89 N90 | T86-E88 VanDerWaalsContact C-N 3.34Å; T86-E88 WeakPolarHBondContact CB-OE2 3.45Å; T86-E88 PolarHBondContact OG1-OE2 3.33Å; T86-V89 WeakPolarHBondContact OG1-CG2 3.48Å; T86-V89 PolarHBondContact OG1-N 3.08Å; T86-N90 PolarHBondContact O-N 3.14Å; T86-N90 VanDerWaalsContact O-N 3.15Å; T86-N90 PolarHBondContact O-ND2 3.21Å |
| 87 | I | 98.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 123 Ų | 123 | 43% | 0.431 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.3 | -35.1 | -179.6 | -175.4 | 58.7 | 0 | 0 | 0 | 111.5 | N90 R91 | I87-N90 PolarHBondContact O-N 2.95Å; I87-R91 HydrophobicContact CD1-CG 4.28Å; I87-R91 HydrophobicContact CG1-CG 4.35Å; I87-R91 WeakPolarHBondContact O-CB 3.39Å; I87-R91 VanDerWaalsContact O-CG 3.28Å; I87-R91 WeakPolarHBondContact O-CG 3.46Å; I87-R91 PolarHBondContact O-N 3.38Å |
| 88 | E | 98.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 120.2 Ų | 120.2 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.4 | -50.8 | 177.5 | -56.8 | 72.6 | -153 | 0 | 0 | 110.1 | T86 N90 R91 C92 | T86-E88 VanDerWaalsContact C-N 3.34Å; T86-E88 WeakPolarHBondContact CB-OE2 3.45Å; T86-E88 PolarHBondContact OG1-OE2 3.33Å; E88-N90 VanDerWaalsContact C-N 3.29Å; E88-N90 PolarHBondContact O-N 3.29Å; E88-R91 PolarHBondContact O-N 2.8Å; E88-R91 VanDerWaalsContact O-N 3.11Å; E88-C92 PolarHBondContact O-N 2.83Å; E88-C92 PolarHBondContact O-SG 3.4Å; E88-C92 VanDerWaalsContact O-SG 3.4Å |
| 89 | V | 97.9 | Very high | 95.9 | Very high | 77 Ų | 77 | 119.3 Ų | 119.3 | 47% | 0.467 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.5 | -43.6 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | R85 T86 R93 | R85-V89 HydrophobicContact CB-CG1 4.45Å; T86-V89 WeakPolarHBondContact OG1-CG2 3.48Å; T86-V89 PolarHBondContact OG1-N 3.08Å; V89-R93 WeakPolarHBondContact O-CB 3.45Å; V89-R93 PolarHBondContact O-N 3.17Å |
| 90 | N | 98.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 118.8 Ų | 118.8 | 16% | 0.16 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -67.2 | -37.6 | 177.7 | -78 | -47.2 | 0 | 0 | 0 | 112.8 | R85 T86 I87 E88 R94 | R85-N90 PolarHBondContact O-ND2 3.22Å; T86-N90 PolarHBondContact O-N 3.14Å; T86-N90 VanDerWaalsContact O-N 3.15Å; T86-N90 PolarHBondContact O-ND2 3.21Å; I87-N90 PolarHBondContact O-N 2.95Å; E88-N90 VanDerWaalsContact C-N 3.29Å; E88-N90 PolarHBondContact O-N 3.29Å; N90-R94 VanDerWaalsContact O-CB 3.29Å; N90-R94 WeakPolarHBondContact O-CB 3.33Å; N90-R94 WeakPolarHBondContact O-CG 3.12Å; N90-R94 PolarHBondContact O-N 2.91Å |
| 91 | R | 98.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 122.8 Ų | 122.8 | 50% | 0.502 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -49.6 | 176.7 | -77.3 | 175.2 | -176.5 | 169.9 | 4.3 | 110.9 | I87 E88 R93 R94 R95 | I87-R91 HydrophobicContact CD1-CG 4.28Å; I87-R91 HydrophobicContact CG1-CG 4.35Å; I87-R91 WeakPolarHBondContact O-CB 3.39Å; I87-R91 VanDerWaalsContact O-CG 3.28Å; I87-R91 WeakPolarHBondContact O-CG 3.46Å; I87-R91 PolarHBondContact O-N 3.38Å; E88-R91 PolarHBondContact O-N 2.8Å; E88-R91 VanDerWaalsContact O-N 3.11Å; R91-R93 VanDerWaalsContact C-N 3.29Å; R91-R93 PolarHBondContact O-N 3.3Å; R91-R94 PolarHBondContact O-N 3.3Å; R91-R94 VanDerWaalsContact O-N 3.11Å; R91-R95 WeakPolarHBondContact O-CB 3.37Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.28Å |
| 92 | C | 97.8 | Very high | 97.1 | Very high | 96 Ų | 96 | 125.3 Ų | 125.3 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.4 | -43.3 | 176.1 | -65 | 0 | 0 | 0 | 0 | 111.2 | E88 R94 N96 | E88-C92 PolarHBondContact O-N 2.83Å; E88-C92 PolarHBondContact O-SG 3.4Å; E88-C92 VanDerWaalsContact O-SG 3.4Å; C92-R94 VanDerWaalsContact C-N 3.34Å; C92-R94 PolarHBondContact O-N 2.96Å; C92-N96 PolarHBondContact O-N 2.92Å |
| 93 | R | 97.5 | Very high | 97.3 | Very high | 103 Ų | 103 | 121.2 Ų | 121.2 | 39% | 0.389 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.7 | -33.9 | 176.8 | -173.1 | -177.9 | 67 | 87.1 | 1.4 | 113.2 | V89 R91 K99 | V89-R93 WeakPolarHBondContact O-CB 3.45Å; V89-R93 PolarHBondContact O-N 3.17Å; R91-R93 VanDerWaalsContact C-N 3.29Å; R91-R93 PolarHBondContact O-N 3.3Å; R93-K99 WeakPolarHBondContact O-CD 2.95Å; R93-K99 VanDerWaalsContact O-CE 3.27Å; R93-K99 WeakPolarHBondContact O-CE 3.49Å; R93-K99 PolarHBondContact O-NZ 3.47Å |
| 94 | R | 97.7 | Very high | 97.3 | Very high | 163 Ų | 163 | 123.5 Ų | 123.5 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -88.4 | -36 | -177 | -73.3 | 173.7 | -176.1 | -179.6 | 1.6 | 113.2 | N90 R91 C92 | N90-R94 VanDerWaalsContact O-CB 3.29Å; N90-R94 WeakPolarHBondContact O-CB 3.33Å; N90-R94 WeakPolarHBondContact O-CG 3.12Å; N90-R94 PolarHBondContact O-N 2.91Å; R91-R94 PolarHBondContact O-N 3.3Å; R91-R94 VanDerWaalsContact O-N 3.11Å; C92-R94 VanDerWaalsContact C-N 3.34Å; C92-R94 PolarHBondContact O-N 2.96Å |
| 95 | R | 97.4 | Very high | 97.4 | Very high | 180 Ų | 180 | 118.7 Ų | 118.7 | 68% | 0.679 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -94.3 | 4.9 | -175.3 | -61.4 | -174.7 | 176.1 | -172.7 | -2.2 | 113.7 | R91 | R91-R95 WeakPolarHBondContact O-CB 3.37Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.28Å |
| 96 | N | 97.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 113.5 Ų | 113.5 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | trans | -54.5 | 128.6 | 170 | 179.9 | -26.7 | 0 | 0 | 0 | 109.1 | C92 Q98 K99 L100 | C92-N96 PolarHBondContact O-N 2.92Å; N96-Q98 PolarHBondContact O-N 2.96Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q98 PolarHBondContact OD1-N 3.35Å; N96-K99 PolarHBondContact O-N 3.08Å; N96-L100 PolarHBondContact O-N 3.09Å | ||
| 97 | P | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 114.4 Ų | 114.4 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -49.5 | -30 | 178.5 | -29.9 | 35.6 | 0 | 0 | 0 | 115 | K99 L100 | P97-K99 PolarHBondContact O-N 3.11Å; P97-L100 PolarHBondContact O-N 2.78Å |
| 98 | Q | 96.9 | Very high | 97.2 | Very high | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.752 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -60.8 | -28.7 | 175.2 | -173.3 | -178.3 | -2 | 0 | 0 | 113.2 | N96 | N96-Q98 PolarHBondContact O-N 2.96Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.39Å; N96-Q98 PolarHBondContact OD1-N 3.35Å |
| 99 | K | 96.3 | Very high | 97.2 | Very high | 117 Ų | 117 | 112.7 Ų | 112.7 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -97.5 | -7.7 | 179.9 | -59.1 | -168.8 | -171.5 | 172.7 | 0 | 113.4 | R93 N96 P97 | R93-K99 WeakPolarHBondContact O-CD 2.95Å; R93-K99 VanDerWaalsContact O-CE 3.27Å; R93-K99 WeakPolarHBondContact O-CE 3.49Å; R93-K99 PolarHBondContact O-NZ 3.47Å; N96-K99 PolarHBondContact O-N 3.08Å; P97-K99 PolarHBondContact O-N 3.11Å |
| 100 | L | 97.3 | Very high | 97.1 | Very high | 96 Ų | 96 | 109.3 Ų | 109.3 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -78.7 | 149.7 | 174.8 | -61 | -179.3 | 0 | 0 | 0 | 109.6 | N96 P97 K102 | N96-L100 PolarHBondContact O-N 3.09Å; P97-L100 PolarHBondContact O-N 2.78Å; L100-K102 PolarHBondContact O-N 2.96Å |
| 101 | I | 97.2 | Very high | 97 | Very high | 168 Ų | 168 | 113.3 Ų | 113.3 | 86% | 0.862 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 121.8 | 176.1 | -60 | 171 | 0 | 0 | 0 | 107.7 | ||
| 102 | K | 97.1 | Very high | 96.9 | Very high | 173 Ų | 173 | 114 Ų | 114 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140.2 | 177 | -63.4 | -175.6 | 179.6 | -177.6 | 0 | 110.4 | L100 | L100-K102 PolarHBondContact O-N 2.96Š|
| 103 | V | 96.8 | Very high | 96.7 | Very high | 129 Ų | 129 | 111.3 Ų | 111.3 | 78% | 0.782 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.4 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 104 | K | 96.1 | Very high | 96.7 | Very high | 141 Ų | 141 | 108.7 Ų | 108.7 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | trans | -109.4 | 122.3 | 179.8 | -66.8 | -174.8 | -179.9 | -177.9 | 0 | 109.7 | ||||
| 105 | N | 96.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 105.4 Ų | 105.4 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | trans | -106 | 16.6 | -176.7 | -59.1 | -16 | 0 | 0 | 0 | 112.9 | ||||
| 106 | N | 96.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 103 Ų | 103 | 22% | 0.219 | 55% | 0.547 | C | S | . | . | trans | -103.5 | 27.3 | -174 | 65 | -28 | 0 | 0 | 0 | 113 | Q118 K119 H120 | N106-Q118 VanDerWaalsContact O-CA 3.31Å; N106-Q118 WeakPolarHBondContact O-CA 3.44Å; N106-K119 PolarHBondContact O-N 3.31Å; N106-H120 PolarHBondContact ND2-NE2 3.48Å; N106-H120 VanDerWaalsContact ND2-NE2 3.16Å | ||
| 107 | I | 96.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.4 | -178.9 | -54.9 | 170.8 | 0 | 0 | 0 | 108.3 | L116 K117 | I107-L116 HydrophobicContact CG2-CB 3.96Å; I107-L116 HydrophobicContact CG2-CD1 4.33Å; I107-L116 HydrophobicContact CG2-CD2 4.23Å; I107-L116 HydrophobicContact CG2-CG 4.41Å; I107-K117 CarbonylContact C-O 3.58Å; I107-K117 WeakPolarHBondContact CA-O 3.31Å |
| 108 | D | 96.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 101.7 Ų | 101.7 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 167.2 | 179 | -69.6 | -2.1 | 0 | 0 | 0 | 110.4 | K117 K119 | D108-K117 PolarHBondContact N-O 2.9Å; D108-K117 PolarHBondContact O-N 2.72Å; D108-K119 WeakPolarHBondContact OD1-CE 3.18Å; D108-K119 IonicContact OD1-NZ 3.89Å; D108-K119 WeakPolarHBondContact OD2-CE 3.3Å; D108-K119 WeakPolarHBondContact OD2-CG 3.42Å |
| 109 | V | 97.4 | Very high | 96.4 | Very high | 94 Ų | 94 | 99.4 Ų | 99.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.5 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | G114 L116 | V109-G114 WeakPolarHBondContact CG1-O 3.43Å; V109-L116 HydrophobicContact CG2-CD2 4.05Å |
| 110 | C | 97.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 100.8 Ų | 100.8 | 5% | 0.047 | 53% | 0.525 | C | S | . | . | trans | -73.4 | 130 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | E112 C113 G114 H115 K117 C123 | C110-E112 VanDerWaalsContact C-N 3.3Å; C110-E112 PolarHBondContact O-N 3.48Å; C110-C113 VanDerWaalsContact SG-SG 3.65Å; C110-G114 VanDerWaalsContact O-CA 3.29Å; C110-G114 WeakPolarHBondContact O-CA 3.28Å; C110-G114 PolarHBondContact O-N 2.92Å; C110-H115 WeakPolarHBondContact CB-O 3.39Å; C110-H115 PolarHBondContact N-O 3Å; C110-K117 HydrophobicContact CB-CD 4.28Å; C110-K117 HydrophobicContact CB-CG 4.36Å; C110-C123 HydrophobicContact CB-CB 4.1Å | ||
| 111 | P | 96 | Very high | 96.3 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 74% | 0.74 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.2 | -178.6 | 25.8 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 112 | E | 95.1 | Very high | 96.3 | Very high | 147 Ų | 147 | 98 Ų | 98 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -43.9 | -175.8 | -61 | -59.9 | 143 | 0 | 0 | 113.5 | C110 | C110-E112 VanDerWaalsContact C-N 3.3Å; C110-E112 PolarHBondContact O-N 3.48Å |
| 113 | C | 94.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 90.3 Ų | 90.3 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -1.4 | -168.9 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | C110 H115 Y125 | C110-C113 VanDerWaalsContact SG-SG 3.65Å; C113-H115 PolarHBondContact O-N 3.22Å; C113-H115 VanDerWaalsContact O-N 3.07Å; C113-H115 PolarHBondContact O-ND1 3.24Å; C113-H115 VanDerWaalsContact O-ND1 3.1Å; C113-Y125 HydrophobicContact CB-CD1 4.05Å |
| 114 | G | 95.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 87.8 Ų | 87.8 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | trans | 69.8 | -0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V109 C110 | V109-G114 WeakPolarHBondContact CG1-O 3.43Å; C110-G114 VanDerWaalsContact O-CA 3.29Å; C110-G114 WeakPolarHBondContact O-CA 3.28Å; C110-G114 PolarHBondContact O-N 2.92Å | ||
| 115 | H | 97 | Very high | 96.4 | Very high | 93 Ų | 93 | 87 Ų | 87 | 43% | 0.431 | 47% | 0.468 | S | S | . | . | trans | -73.7 | 148.7 | 177.6 | -72 | 70.6 | 0 | 0 | 0 | 111.5 | C110 C113 K117 | C110-H115 WeakPolarHBondContact CB-O 3.39Å; C110-H115 PolarHBondContact N-O 3Å; C113-H115 PolarHBondContact O-N 3.22Å; C113-H115 VanDerWaalsContact O-N 3.07Å; C113-H115 PolarHBondContact O-ND1 3.24Å; C113-H115 VanDerWaalsContact O-ND1 3.1Å; H115-K117 PolarHBondContact O-N 3.41Å | ||
| 116 | L | 97.2 | Very high | 96.4 | Very high | 130 Ų | 130 | 81.2 Ų | 81.2 | 68% | 0.681 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 131.6 | 173.7 | -61.5 | -179.7 | 0 | 0 | 0 | 110.7 | I107 V109 | I107-L116 HydrophobicContact CG2-CB 3.96Å; I107-L116 HydrophobicContact CG2-CD1 4.33Å; I107-L116 HydrophobicContact CG2-CD2 4.23Å; I107-L116 HydrophobicContact CG2-CG 4.41Å; V109-L116 HydrophobicContact CG2-CD2 4.05Å |
| 117 | K | 97.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 85.4 Ų | 85.4 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 165.6 | 174 | 68.5 | 164.5 | -165.3 | 158.8 | 0 | 110.3 | I107 D108 C110 H115 C123 | I107-K117 CarbonylContact C-O 3.58Å; I107-K117 WeakPolarHBondContact CA-O 3.31Å; D108-K117 PolarHBondContact N-O 2.9Å; D108-K117 PolarHBondContact O-N 2.72Å; C110-K117 HydrophobicContact CB-CD 4.28Å; C110-K117 HydrophobicContact CB-CG 4.36Å; H115-K117 PolarHBondContact O-N 3.41Å; K117-C123 HydrophobicContact CB-CB 4.34Å; K117-C123 HydrophobicContact CD-CB 4.29Å |
| 118 | Q | 96.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 85.4 Ų | 85.4 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 149.7 | 168.4 | -65.7 | 177.3 | 7.8 | 0 | 0 | 110.1 | N106 H120 V121 | N106-Q118 VanDerWaalsContact O-CA 3.31Å; N106-Q118 WeakPolarHBondContact O-CA 3.44Å; Q118-H120 VanDerWaalsContact C-N 3.32Å; Q118-H120 PolarHBondContact O-N 3.48Å; Q118-V121 HydrophobicContact CB-CB 4.03Å; Q118-V121 HydrophobicContact CB-CG2 3.91Å; Q118-V121 PolarHBondContact O-N 3.23Å |
| 119 | K | 94.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 85.4 Ų | 85.4 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -47.6 | -178 | -78.2 | 178.7 | 179.4 | -176.6 | 0 | 113.8 | N106 D108 | N106-K119 PolarHBondContact O-N 3.31Å; D108-K119 WeakPolarHBondContact OD1-CE 3.18Å; D108-K119 IonicContact OD1-NZ 3.89Å; D108-K119 WeakPolarHBondContact OD2-CE 3.3Å; D108-K119 WeakPolarHBondContact OD2-CG 3.42Å |
| 120 | H | 95.4 | Very high | 96.6 | Very high | 145 Ų | 145 | 83.2 Ų | 83.2 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 10.3 | -173.2 | 1.5 | -79.9 | 0 | 0 | 0 | 113 | N106 Q118 | N106-H120 PolarHBondContact ND2-NE2 3.48Å; N106-H120 VanDerWaalsContact ND2-NE2 3.16Å; Q118-H120 VanDerWaalsContact C-N 3.32Å; Q118-H120 PolarHBondContact O-N 3.48Å |
| 121 | V | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -126.1 | 142.3 | -176.6 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | Q118 | Q118-V121 HydrophobicContact CB-CB 4.03Å; Q118-V121 HydrophobicContact CB-CG2 3.91Å; Q118-V121 PolarHBondContact O-N 3.23Å |
| 122 | L | 96.7 | Very high | 96.7 | Very high | 133 Ų | 133 | 91.1 Ų | 91.1 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | trans | -61.4 | 150.5 | 173.1 | -61.5 | 178.2 | 0 | 0 | 0 | 110.7 | A124 Y127 | L122-A124 PolarHBondContact O-N 3.19Å; L122-Y127 HydrophobicContact CD1-CD2 4.47Å | ||
| 123 | C | 97.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 84.4 Ų | 84.4 | 7% | 0.068 | 42% | 0.42 | C | S | . | . | trans | -65.4 | 125.6 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | C110 K117 Y125 C126 Y127 | C110-C123 HydrophobicContact CB-CB 4.1Å; K117-C123 HydrophobicContact CB-CB 4.34Å; K117-C123 HydrophobicContact CD-CB 4.29Å; C123-Y125 VanDerWaalsContact C-N 3.32Å; C123-Y125 PolarHBondContact O-N 2.93Å; C123-C126 HydrophobicContact CB-CB 4.01Å; C123-C126 PolarHBondContact O-N 3.07Å; C123-Y127 VanDerWaalsContact O-CB 3.26Å; C123-Y127 WeakPolarHBondContact O-CB 3Å; C123-Y127 PolarHBondContact O-N 3.1Å | ||
| 124 | A | 97.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 84.9 Ų | 84.9 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L122 Y127 E128 | L122-A124 PolarHBondContact O-N 3.19Å; A124-Y127 PolarHBondContact O-N 3.27Å; A124-E128 WeakPolarHBondContact O-CB 3.2Å; A124-E128 PolarHBondContact O-N 3.07Å |
| 125 | Y | 97.4 | Very high | 96.9 | Very high | 124 Ų | 124 | 84.4 Ų | 84.4 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.5 | -48.8 | 179.4 | -175.1 | -94 | 0 | 0 | 0 | 111.9 | C113 C123 Y127 E128 K129 | C113-Y125 HydrophobicContact CB-CD1 4.05Å; C123-Y125 VanDerWaalsContact C-N 3.32Å; C123-Y125 PolarHBondContact O-N 2.93Å; Y125-Y127 VanDerWaalsContact C-N 3.26Å; Y125-Y127 PolarHBondContact O-N 3.36Å; Y125-E128 PolarHBondContact O-N 3.38Å; Y125-K129 PolarHBondContact O-N 3.18Å; Y125-K129 VanDerWaalsContact O-N 3.09Å |
| 126 | C | 96.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 83.4 Ų | 83.4 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.4 | -34.5 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | C123 K129 V130 | C123-C126 HydrophobicContact CB-CB 4.01Å; C123-C126 PolarHBondContact O-N 3.07Å; C126-K129 WeakPolarHBondContact O-CE 3.44Å; C126-K129 WeakPolarHBondContact O-CG 3.31Å; C126-V130 WeakPolarHBondContact O-CG2 3.43Å; C126-V130 PolarHBondContact O-N 2.92Å |
| 127 | Y | 97.7 | Very high | 96.9 | Very high | 129 Ų | 129 | 78.2 Ų | 78.2 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 175.3 | -178.1 | -105.7 | 0 | 0 | 0 | 111.7 | L122 C123 A124 Y125 K129 V130 R131 | L122-Y127 HydrophobicContact CD1-CD2 4.47Å; C123-Y127 VanDerWaalsContact O-CB 3.26Å; C123-Y127 WeakPolarHBondContact O-CB 3Å; C123-Y127 PolarHBondContact O-N 3.1Å; A124-Y127 PolarHBondContact O-N 3.27Å; Y125-Y127 VanDerWaalsContact C-N 3.26Å; Y125-Y127 PolarHBondContact O-N 3.36Å; Y127-K129 PolarHBondContact O-N 3.37Å; Y127-V130 PolarHBondContact O-N 2.87Å; Y127-R131 VanDerWaalsContact O-CB 3.31Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.9Å |
| 128 | E | 97.9 | Very high | 96.8 | Very high | 91 Ų | 91 | 83.8 Ų | 83.8 | 43% | 0.425 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.4 | -168 | -175.9 | 164.7 | 0 | 0 | 112.2 | A124 Y125 V130 R131 K132 | A124-E128 WeakPolarHBondContact O-CB 3.2Å; A124-E128 PolarHBondContact O-N 3.07Å; Y125-E128 PolarHBondContact O-N 3.38Å; E128-V130 VanDerWaalsContact C-N 3.34Å; E128-V130 PolarHBondContact O-N 3.42Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-K132 HydrophobicContact CG-CD 4.43Å; E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3.4Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 3.87Å; E128-K132 PolarHBondContact OE1-NZ 3.47Å |
| 129 | K | 96.7 | Very high | 96.8 | Very high | 65 Ų | 65 | 87.8 Ų | 87.8 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 174.3 | 62.8 | 171.5 | -169.8 | 177.8 | 0 | 111.8 | Y125 C126 Y127 K132 E133 | Y125-K129 PolarHBondContact O-N 3.18Å; Y125-K129 VanDerWaalsContact O-N 3.09Å; C126-K129 WeakPolarHBondContact O-CE 3.44Å; C126-K129 WeakPolarHBondContact O-CG 3.31Å; Y127-K129 PolarHBondContact O-N 3.37Å; K129-K132 PolarHBondContact O-N 3.29Å; K129-E133 PolarHBondContact O-N 3.09Å; K129-E133 VanDerWaalsContact O-N 3.14Å |
| 130 | V | 97.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 84.1 Ų | 84.1 | 30% | 0.297 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | C126 Y127 E128 K132 E133 T134 W184 | C126-V130 WeakPolarHBondContact O-CG2 3.43Å; C126-V130 PolarHBondContact O-N 2.92Å; Y127-V130 PolarHBondContact O-N 2.87Å; E128-V130 VanDerWaalsContact C-N 3.34Å; E128-V130 PolarHBondContact O-N 3.42Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.47Å; V130-E133 PolarHBondContact O-N 2.81Å; V130-T134 PolarHBondContact O-N 3.44Å; V130-T134 PolarHBondContact O-OG1 3.39Å; V130-W184 HydrophobicContact CB-CH2 4.26Å; V130-W184 HydrophobicContact CB-CZ3 4.48Å; V130-W184 HydrophobicContact CG1-CH2 4.44Å; V130-W184 HydrophobicContact CG1-CZ3 4.45Å; V130-W184 HydrophobicContact CG2-CE3 4.15Å; V130-W184 HydrophobicContact CG2-CH2 3.79Å; V130-W184 HydrophobicContact CG2-CZ2 4.3Å; V130-W184 HydrophobicContact CG2-CZ3 3.7Å |
| 131 | R | 98 | Very high | 96.9 | Very high | 171 Ų | 171 | 78.7 Ų | 78.7 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.8 | -40.7 | 178.7 | -174.7 | -179.5 | 175.1 | -163 | -0.1 | 112.3 | Y127 E128 A135 | Y127-R131 VanDerWaalsContact O-CB 3.31Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.9Å; E128-R131 PolarHBondContact O-N 2.85Å; R131-A135 WeakPolarHBondContact O-CB 3.34Å; R131-A135 PolarHBondContact O-N 3.38Å |
| 132 | K | 97.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 77 Ų | 77 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 176.4 | -75.5 | 174.6 | -178.5 | 166.7 | 0 | 111.1 | E128 K129 V130 A135 E136 | E128-K132 HydrophobicContact CG-CD 4.43Å; E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3.4Å; E128-K132 WeakPolarHBondContact OE1-CE 3.41Å; E128-K132 IonicContact OE1-NZ 3.87Å; E128-K132 PolarHBondContact OE1-NZ 3.47Å; K129-K132 PolarHBondContact O-N 3.29Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.47Å; K132-A135 PolarHBondContact O-N 2.85Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.99Å; K132-E136 VanDerWaalsContact O-N 3.08Å |
| 133 | E | 96.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 78.9 Ų | 78.9 | 2% | 0.023 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 178.5 | -169.7 | 63.2 | -142.4 | 0 | 0 | 111.5 | K129 V130 A135 E136 I137 Y160 R177 R179 W184 | K129-E133 PolarHBondContact O-N 3.09Å; K129-E133 VanDerWaalsContact O-N 3.14Å; V130-E133 PolarHBondContact O-N 2.81Å; E133-A135 VanDerWaalsContact C-N 3.33Å; E133-A135 PolarHBondContact O-N 2.84Å; E133-E136 PolarHBondContact O-N 3.45Å; E133-I137 HydrophobicContact CG-CD1 4.27Å; E133-I137 WeakPolarHBondContact O-CG1 3.34Å; E133-I137 PolarHBondContact O-N 3.28Å; E133-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; E133-Y160 PolarHBondContact OE1-OH 3.37Å; E133-R177 IonicContact OE1-CZ 3.91Å; E133-R177 IonicContact OE1-NH1 2.77Å; E133-R177 PolarHBondContact OE1-NH1 3.48Å; E133-R177 VanDerWaalsContact OE1-NH1 3.09Å; E133-R179 IonicContact OE2-CZ 2.79Å; E133-R179 IonicContact OE2-NH1 3.87Å; E133-R179 PolarHBondContact OE2-NH1 3.37Å; E133-W184 HydrophobicContact CB-CH2 4.22Å; E133-W184 HydrophobicContact CB-CZ2 4.39Å; E133-W184 HydrophobicContact CG-CH2 4.34Å |
| 134 | T | 96.8 | Very high | 96.5 | Very high | 49 Ų | 49 | 83.1 Ų | 83.1 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.8 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | V130 E136 I137 R138 | V130-T134 PolarHBondContact O-N 3.44Å; V130-T134 PolarHBondContact O-OG1 3.39Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.02Å; T134-I137 PolarHBondContact O-N 3.25Å; T134-R138 VanDerWaalsContact O-CG 3.28Å; T134-R138 WeakPolarHBondContact O-CG 3.47Å; T134-R138 PolarHBondContact O-N 3.45Å |
| 135 | A | 97.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 81.9 Ų | 81.9 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R131 K132 E133 R139 | R131-A135 WeakPolarHBondContact O-CB 3.34Å; R131-A135 PolarHBondContact O-N 3.38Å; K132-A135 PolarHBondContact O-N 2.85Å; E133-A135 VanDerWaalsContact C-N 3.33Å; E133-A135 PolarHBondContact O-N 2.84Å; A135-R139 WeakPolarHBondContact O-CG 3.32Å; A135-R139 PolarHBondContact O-N 2.84Å; A135-R139 VanDerWaalsContact O-N 3.11Å |
| 136 | E | 96.9 | Very high | 96 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 174.3 | -67.3 | 176.4 | -172.3 | 0 | 0 | 111.1 | K132 E133 T134 R138 R139 Q140 R177 | K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.99Å; K132-E136 VanDerWaalsContact O-N 3.08Å; E133-E136 PolarHBondContact O-N 3.45Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.02Å; E136-R138 PolarHBondContact O-N 3.29Å; E136-R139 WeakPolarHBondContact O-CA 3.23Å; E136-R139 VanDerWaalsContact O-CB 3.3Å; E136-R139 WeakPolarHBondContact O-CB 3.31Å; E136-R139 PolarHBondContact O-N 3.27Å; E136-Q140 PolarHBondContact O-N 3.19Å; E136-Q140 VanDerWaalsContact O-N 3.08Å; E136-R177 VanDerWaalsContact C-CZ 3.43Å; E136-R177 VanDerWaalsContact CB-CZ 3.43Å; E136-R177 PolarHBondContact O-NH2 2.94Å; E136-R177 IonicContact OE2-CZ 2.72Å; E136-R177 IonicContact OE2-NH1 3.63Å; E136-R177 PolarHBondContact OE2-NH1 2.75Å |
| 137 | I | 96.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 79.2 Ų | 79.2 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 177.6 | -69.3 | 164.8 | 0 | 0 | 0 | 109.7 | E133 T134 R139 Q140 I141 V158 I175 R177 | E133-I137 HydrophobicContact CG-CD1 4.27Å; E133-I137 WeakPolarHBondContact O-CG1 3.34Å; E133-I137 PolarHBondContact O-N 3.28Å; T134-I137 PolarHBondContact O-N 3.25Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.16Å; I137-Q140 PolarHBondContact O-N 2.93Å; I137-Q140 VanDerWaalsContact O-N 3.09Å; I137-I141 HydrophobicContact CG2-CD1 3.97Å; I137-I141 WeakPolarHBondContact O-CG1 2.98Å; I137-I141 PolarHBondContact O-N 3.19Å; I137-V158 HydrophobicContact CD1-CG1 4.23Å; I137-V158 HydrophobicContact CD1-CG2 4.26Å; I137-V158 HydrophobicContact CG1-CG1 4.4Å; I137-V158 HydrophobicContact CG2-CG2 4.11Å; I137-I175 HydrophobicContact CG2-CG2 4.37Å; I137-R177 VanDerWaalsContact CG1-NE 3.33Å; I137-R177 VanDerWaalsContact N-CZ 3.29Å |
| 138 | R | 96.1 | Very high | 95.5 | Very high | 176 Ų | 176 | 78.1 Ų | 78.1 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.5 | -35.5 | 174.7 | -70.8 | 172.5 | -177.8 | 178.1 | 1.7 | 113.1 | T134 E136 Q140 I141 G142 | T134-R138 VanDerWaalsContact O-CG 3.28Å; T134-R138 WeakPolarHBondContact O-CG 3.47Å; T134-R138 PolarHBondContact O-N 3.45Å; E136-R138 PolarHBondContact O-N 3.29Å; R138-Q140 VanDerWaalsContact C-N 3.35Å; R138-I141 PolarHBondContact O-N 3.31Å; R138-G142 PolarHBondContact O-N 3.32Å |
| 139 | R | 95.9 | Very high | 95.3 | Very high | 166 Ų | 166 | 83.9 Ų | 83.9 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 174 | -69.2 | 172 | -173.2 | 157.8 | -0.4 | 111.7 | A135 E136 I137 G142 K143 | A135-R139 WeakPolarHBondContact O-CG 3.32Å; A135-R139 PolarHBondContact O-N 2.84Å; A135-R139 VanDerWaalsContact O-N 3.11Å; E136-R139 WeakPolarHBondContact O-CA 3.23Å; E136-R139 VanDerWaalsContact O-CB 3.3Å; E136-R139 WeakPolarHBondContact O-CB 3.31Å; E136-R139 PolarHBondContact O-N 3.27Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.16Å; R139-G142 PolarHBondContact O-N 3.5Å; R139-K143 WeakPolarHBondContact O-CG 3.2Å; R139-K143 PolarHBondContact O-N 3.24Å |
| 140 | Q | 95.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 86.6 Ų | 86.6 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.6 | -40.1 | 176.9 | -77.4 | 176.3 | -35.2 | 0 | 0 | 112.3 | E136 I137 R138 G142 K143 Q144 I175 E176 R177 | E136-Q140 PolarHBondContact O-N 3.19Å; E136-Q140 VanDerWaalsContact O-N 3.08Å; I137-Q140 PolarHBondContact O-N 2.93Å; I137-Q140 VanDerWaalsContact O-N 3.09Å; R138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 3.02Å; Q140-K143 WeakPolarHBondContact O-CB 3Å; Q140-K143 PolarHBondContact O-N 2.84Å; Q140-K143 VanDerWaalsContact O-N 3.14Å; Q140-Q144 PolarHBondContact O-N 3.11Å; Q140-I175 HydrophobicContact CB-CG2 3.81Å; Q140-E176 PolarHBondContact NE2-O 2.95Å; Q140-E176 PolarHBondContact OE1-O 3.46Å; Q140-R177 VanDerWaalsContact OE1-CZ 3.29Å |
| 141 | I | 95.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 88.4 Ų | 88.4 | 16% | 0.164 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 170.6 | -68.6 | 167.8 | 0 | 0 | 0 | 110 | I137 R138 K143 Q144 E145 I175 | I137-I141 HydrophobicContact CG2-CD1 3.97Å; I137-I141 WeakPolarHBondContact O-CG1 2.98Å; I137-I141 PolarHBondContact O-N 3.19Å; R138-I141 PolarHBondContact O-N 3.31Å; I141-K143 VanDerWaalsContact C-N 3.3Å; I141-K143 PolarHBondContact O-N 2.9Å; I141-Q144 PolarHBondContact O-N 2.84Å; I141-Q144 VanDerWaalsContact O-N 3.15Å; I141-E145 HydrophobicContact CG2-CG 4.24Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.39Å; I141-E145 WeakPolarHBondContact O-CG 3.26Å; I141-E145 PolarHBondContact O-N 3.25Å; I141-I175 HydrophobicContact CG1-CD1 3.69Å; I141-I175 HydrophobicContact CG1-CG1 3.89Å; I141-I175 HydrophobicContact CG1-CG2 4.45Å |
| 142 | G | 94.4 | Very high | 94.7 | Very high | 38 Ų | 38 | 82.9 Ų | 82.9 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R138 R139 Q140 G146 | R138-G142 PolarHBondContact O-N 3.32Å; R139-G142 PolarHBondContact O-N 3.5Å; Q140-G142 VanDerWaalsContact C-N 3.29Å; Q140-G142 PolarHBondContact O-N 3.02Å; G142-G146 PolarHBondContact O-N 2.79Å |
| 143 | K | 94.3 | Very high | 94.5 | Very high | 172 Ų | 172 | 84.6 Ų | 84.6 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 174.1 | -73 | 177.3 | -179.3 | -173.7 | 0 | 112.2 | R139 Q140 I141 | R139-K143 WeakPolarHBondContact O-CG 3.2Å; R139-K143 PolarHBondContact O-N 3.24Å; Q140-K143 WeakPolarHBondContact O-CB 3Å; Q140-K143 PolarHBondContact O-N 2.84Å; Q140-K143 VanDerWaalsContact O-N 3.14Å; I141-K143 VanDerWaalsContact C-N 3.3Å; I141-K143 PolarHBondContact O-N 2.9Å |
| 144 | Q | 93 | Very high | 94.5 | Very high | 99 Ų | 99 | 88.7 Ų | 88.7 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.3 | -40.7 | 178.1 | -71 | -172.8 | 2.9 | 0 | 0 | 112.3 | Q140 I141 I174 | Q140-Q144 PolarHBondContact O-N 3.11Å; I141-Q144 PolarHBondContact O-N 2.84Å; I141-Q144 VanDerWaalsContact O-N 3.15Å; Q144-I174 PolarHBondContact NE2-O 3.46Å |
| 145 | E | 93.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 23% | 0.234 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 178.9 | -70.1 | 175.6 | -178.6 | 0 | 0 | 111.5 | I141 G147 K150 R173 | I141-E145 HydrophobicContact CG2-CG 4.24Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.39Å; I141-E145 WeakPolarHBondContact O-CG 3.26Å; I141-E145 PolarHBondContact O-N 3.25Å; E145-G147 PolarHBondContact O-N 3.4Å; E145-K150 HydrophobicContact CB-CB 4.29Å; E145-K150 WeakPolarHBondContact O-CD 3.1Å; E145-K150 PolarHBondContact O-NZ 3.33Å; E145-R173 IonicContact OE1-CZ 2.84Å; E145-R173 IonicContact OE1-NH1 3.97Å; E145-R173 PolarHBondContact OE1-NH1 3.13Å; E145-R173 IonicContact OE1-NH2 2.92Å |
| 146 | G | 92.2 | Very high | 94.2 | Very high | 57 Ų | 57 | 94.2 Ų | 94.2 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | trans | 66.1 | 22.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G142 | G142-G146 PolarHBondContact O-N 2.79Š| ||
| 147 | G | 90.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 91.9 Ų | 91.9 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 165.8 | 168 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E145 | E145-G147 PolarHBondContact O-N 3.4Š|
| 148 | P | 93.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 92.1 Ų | 92.1 | 69% | 0.688 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 154.5 | 173.8 | 30.7 | -34.6 | 0 | 0 | 0 | 111.5 | K150 | P148-K150 PolarHBondContact O-N 3.4Š|
| 149 | F | 92.4 | Very high | 94.1 | Very high | 212 Ų | 212 | 84.2 Ų | 84.2 | 93% | 0.93 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 30.2 | 175.8 | -48 | -71.4 | 0 | 0 | 0 | 116.7 | ||
| 150 | K | 93 | Very high | 94.1 | Very high | 123 Ų | 123 | 76.6 Ų | 76.6 | 54% | 0.535 | 43% | 0.434 | S | S | . | . | trans | -115 | 45.1 | 177.3 | -67.8 | 177.7 | 173.6 | -177.9 | 0 | 112.5 | E145 P148 | E145-K150 HydrophobicContact CB-CB 4.29Å; E145-K150 WeakPolarHBondContact O-CD 3.1Å; E145-K150 PolarHBondContact O-NZ 3.33Å; P148-K150 PolarHBondContact O-N 3.4Å | ||
| 151 | A | 92.7 | Very high | 94 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 72% | 0.719 | 45% | 0.449 | S | S | * | . | trans | -70.2 | 126.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 152 | P | 93.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 81.2 Ų | 81.2 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | trans | -77 | 158.4 | 178 | 33.6 | -37.5 | 0 | 0 | 0 | 111.9 | I154 | P152-I154 VanDerWaalsContact C-N 3.35Å; P152-I154 HydrophobicContact CB-CG1 4.03Å | ||
| 153 | T | 94.7 | Very high | 93.6 | Very high | 153 Ų | 153 | 81.7 Ų | 81.7 | 94% | 0.939 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -85.2 | -8.8 | 173.9 | -41.6 | 0 | 0 | 0 | 0 | 113 | ||
| 154 | I | 95.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 79.1 Ų | 79.1 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -96.4 | 153 | -178.3 | 58.7 | 173.3 | 0 | 0 | 0 | 111.9 | P152 R173 | P152-I154 VanDerWaalsContact C-N 3.35Å; P152-I154 HydrophobicContact CB-CG1 4.03Å; I154-R173 HydrophobicContact CD1-CB 3.85Å; I154-R173 HydrophobicContact CG1-CB 4.11Å |
| 155 | E | 94.6 | Very high | 93.2 | Very high | 133 Ų | 133 | 77.6 Ų | 77.6 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | trans | -66 | 165 | 175.1 | -63.7 | -173.7 | 167.9 | 0 | 0 | 112.4 | K172 R173 | E155-K172 HydrophobicContact CB-CD 4.05Å; E155-K172 HydrophobicContact CB-CG 4.13Å; E155-K172 VanDerWaalsContact OE2-CE 3.23Å; E155-K172 WeakPolarHBondContact OE2-CE 3.2Å; E155-K172 IonicContact OE2-NZ 3.09Å; E155-R173 WeakPolarHBondContact O-CB 3.11Å; E155-R173 PolarHBondContact O-N 3.25Å | ||
| 156 | T | 94.2 | Very high | 93 | Very high | 71 Ų | 71 | 77.5 Ų | 77.5 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.7 | -174.6 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | R173 | T156-R173 CarbonylContact C-O 3.54Å; T156-R173 VanDerWaalsContact CA-O 3.31Å; T156-R173 WeakPolarHBondContact CA-O 3.31Å; T156-R173 HydrophobicContact CG2-CB 4.3Å; T156-R173 VanDerWaalsContact CG2-NE 3.34Å; T156-R173 VanDerWaalsContact CG2-NH2 3.29Å |
| 157 | V | 95.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 82.6 Ų | 82.6 | 15% | 0.145 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.5 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | L159 D169 K172 R173 I175 | V157-L159 HydrophobicContact CG1-CD2 4.11Å; V157-L159 HydrophobicContact CG1-CG 4.42Å; V157-D169 HydrophobicContact CG2-CB 4.11Å; V157-D169 WeakPolarHBondContact CG2-OD1 3.29Å; V157-K172 HydrophobicContact CG2-CB 3.84Å; V157-K172 HydrophobicContact CG2-CD 3.47Å; V157-K172 VanDerWaalsContact CG2-CD 3.47Å; V157-K172 HydrophobicContact CG2-CG 4.3Å; V157-R173 PolarHBondContact N-O 3.11Å; V157-I175 PolarHBondContact O-N 2.95Å |
| 158 | V | 95.8 | Very high | 92.5 | Very high | 24 Ų | 24 | 88.3 Ų | 88.3 | 15% | 0.145 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.9 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | I137 Y160 I175 R177 F185 | I137-V158 HydrophobicContact CD1-CG1 4.23Å; I137-V158 HydrophobicContact CD1-CG2 4.26Å; I137-V158 HydrophobicContact CG1-CG1 4.4Å; I137-V158 HydrophobicContact CG2-CG2 4.11Å; V158-Y160 HydrophobicContact CG1-CE2 3.96Å; V158-I175 WeakPolarHBondContact CA-O 3.19Å; V158-I175 HydrophobicContact CG2-CB 4.48Å; V158-R177 HydrophobicContact CG1-CG 3.75Å; V158-F185 HydrophobicContact CB-CE1 4.42Å; V158-F185 HydrophobicContact CG1-CE1 4.4Å |
| 159 | L | 95.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 83.9 Ų | 83.9 | 5% | 0.052 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.2 | 177.4 | -65 | -176.6 | 0 | 0 | 0 | 110.5 | V157 E163 P165 I174 I175 E176 R177 | V157-L159 HydrophobicContact CG1-CD2 4.11Å; V157-L159 HydrophobicContact CG1-CG 4.42Å; L159-E163 HydrophobicContact CD2-CB 4.48Å; L159-P165 HydrophobicContact CD1-CB 4.26Å; L159-P165 HydrophobicContact CD1-CG 3.75Å; L159-I174 HydrophobicContact CB-CG2 4.28Å; L159-I174 HydrophobicContact CD1-CD1 4.4Å; L159-I174 HydrophobicContact CD1-CG1 4.44Å; L159-I174 HydrophobicContact CD1-CG2 3.55Å; L159-I174 HydrophobicContact CG-CG2 3.93Å; L159-I175 PolarHBondContact N-O 3.24Å; L159-E176 CarbonylContact O-C 3.53Å; L159-E176 WeakPolarHBondContact O-CA 3.39Å; L159-R177 WeakPolarHBondContact O-CB 3.48Å; L159-R177 PolarHBondContact O-N 3.38Å |
| 160 | Y | 96 | Very high | 91.9 | Very high | 7 Ų | 7 | 81 Ų | 81 | 3% | 0.027 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 175.2 | 176.3 | -72.1 | -88.5 | 0 | 0 | 0 | 111.8 | E133 V158 G162 E163 R177 R179 R181 F185 | E133-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; E133-Y160 PolarHBondContact OE1-OH 3.37Å; V158-Y160 HydrophobicContact CG1-CE2 3.96Å; Y160-G162 PolarHBondContact O-N 2.74Å; Y160-E163 PolarHBondContact N-OE2 3Å; Y160-E163 PolarHBondContact O-N 2.81Å; Y160-R177 HydrophobicContact CD1-CB 3.52Å; Y160-R177 HydrophobicContact CD1-CG 4.24Å; Y160-R177 HydrophobicContact CE1-CB 3.73Å; Y160-R177 HydrophobicContact CE1-CG 3.96Å; Y160-R177 HydrophobicContact CG-CB 4.08Å; Y160-R179 WeakPolarHBondContact CB-O 3.24Å; Y160-R179 HydrophobicContact CD1-CB 4.29Å; Y160-R179 VanDerWaalsContact CD1-O 3.27Å; Y160-R179 WeakPolarHBondContact CD1-O 3.44Å; Y160-R179 HydrophobicContact CE1-CB 4.49Å; Y160-R181 HydrophobicContact CD2-CB 3.92Å; Y160-R181 HydrophobicContact CD2-CG 3.7Å; Y160-R181 HydrophobicContact CE2-CG 4Å; Y160-R181 HydrophobicContact CG-CB 3.93Å; Y160-R181 HydrophobicContact CG-CG 4.23Å; Y160-F185 AromaticContact CE2-CD1 3.53Å; Y160-F185 HydrophobicContact CE2-CD1 3.53Å; Y160-F185 AromaticContact CE2-CE1 3.7Å; Y160-F185 HydrophobicContact CE2-CE1 3.7Å; Y160-F185 AromaticContact CZ-CD1 3.88Å; Y160-F185 WeakPolarHBondContact OH-CD1 3.47Å |
| 161 | T | 93.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 78.5 Ų | 78.5 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 125.7 | -176.6 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | R177 R179 | T161-R177 WeakPolarHBondContact CG2-O 3.21Å; T161-R177 PolarHBondContact N-O 2.97Å; T161-R179 PolarHBondContact N-O 3.2Å; T161-R179 VanDerWaalsContact N-O 3.08Å; T161-R179 PolarHBondContact OG1-O 3.36Å; T161-R179 VanDerWaalsContact OG1-O 3.11Å |
| 162 | G | 89.9 | Confident | 91.6 | Very high | 88 Ų | 88 | 77.1 Ų | 77.1 | 91% | 0.907 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 5.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y160 | Y160-G162 PolarHBondContact O-N 2.74Š|
| 163 | E | 91.3 | Very high | 91.6 | Very high | 49 Ų | 49 | 76.3 Ų | 76.3 | 23% | 0.229 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 137.6 | 174.9 | -62.1 | 177.7 | 166.9 | 0 | 0 | 110.9 | L159 Y160 R181 | L159-E163 HydrophobicContact CD2-CB 4.48Å; Y160-E163 PolarHBondContact N-OE2 3Å; Y160-E163 PolarHBondContact O-N 2.81Å; E163-R181 WeakPolarHBondContact OE1-CB 3.29Å; E163-R181 VanDerWaalsContact OE1-CD 3.26Å; E163-R181 WeakPolarHBondContact OE1-CD 3.48Å; E163-R181 IonicContact OE1-CZ 3.69Å; E163-R181 IonicContact OE1-NE 2.79Å; E163-R181 IonicContact OE1-NH1 3.71Å; E163-R181 PolarHBondContact OE1-NH1 2.7Å; E163-R181 IonicContact OE2-CZ 3.06Å; E163-R181 IonicContact OE2-NH1 3.88Å; E163-R181 PolarHBondContact OE2-NH1 2.79Å |
| 164 | T | 89.9 | Confident | 91.6 | Very high | 117 Ų | 117 | 71.7 Ų | 71.7 | 72% | 0.718 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -98.8 | 147 | 172.5 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | S166 | T164-S166 PolarHBondContact O-N 3.15Š|
| 165 | P | 90 | Very high | 91.6 | Very high | 67 Ų | 67 | 67.4 Ų | 67.4 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 137.4 | 174.1 | -19.6 | 29.3 | 0 | 0 | 0 | 111.5 | L159 I174 | L159-P165 HydrophobicContact CD1-CB 4.26Å; L159-P165 HydrophobicContact CD1-CG 3.75Å; P165-I174 HydrophobicContact CB-CD1 4.33Å; P165-I174 HydrophobicContact CG-CD1 3.83Å |
| 166 | S | 88.4 | Confident | 91.5 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 158.7 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | T164 Q168 D169 | T164-S166 PolarHBondContact O-N 3.15Å; S166-Q168 PolarHBondContact O-N 3.33Å; S166-D169 WeakPolarHBondContact CB-OD2 3.32Å; S166-D169 PolarHBondContact O-N 3.35Å |
| 167 | E | 86.9 | Confident | 91.5 | Very high | 163 Ų | 163 | 64.7 Ų | 64.7 | 76% | 0.762 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.1 | 174.2 | -63.6 | -177.7 | 178.5 | 0 | 0 | 111.9 | D169 Q170 | E167-D169 VanDerWaalsContact C-N 3.27Å; E167-D169 PolarHBondContact O-N 3.37Å; E167-Q170 VanDerWaalsContact O-CG 3.28Å; E167-Q170 WeakPolarHBondContact O-CG 3.27Å |
| 168 | Q | 85.6 | Confident | 91.4 | Very high | 150 Ų | 150 | 70.5 Ų | 70.5 | 70% | 0.701 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -75.1 | -15 | 177.3 | -62.6 | 178.7 | 2.7 | 0 | 0 | 113.7 | S166 K172 | S166-Q168 PolarHBondContact O-N 3.33Å; Q168-K172 WeakPolarHBondContact O-CE 3.41Å; Q168-K172 PolarHBondContact O-NZ 3.19Å |
| 169 | D | 87 | Confident | 91.3 | Very high | 13 Ų | 13 | 75.9 Ų | 75.9 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -97.4 | 4.4 | -177.9 | -63.8 | -37.3 | 0 | 0 | 0 | 112.7 | V157 S166 E167 G171 K172 | V157-D169 HydrophobicContact CG2-CB 4.11Å; V157-D169 WeakPolarHBondContact CG2-OD1 3.29Å; S166-D169 WeakPolarHBondContact CB-OD2 3.32Å; S166-D169 PolarHBondContact O-N 3.35Å; E167-D169 VanDerWaalsContact C-N 3.27Å; E167-D169 PolarHBondContact O-N 3.37Å; D169-G171 PolarHBondContact O-N 2.82Å; D169-K172 HydrophobicContact CB-CD 4.44Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 VanDerWaalsContact O-N 3.17Å; D169-K172 IonicContact OD1-NZ 3.54Å; D169-K172 PolarHBondContact OD1-NZ 3.18Å |
| 170 | Q | 86.8 | Confident | 91.3 | Very high | 153 Ų | 153 | 83.5 Ų | 83.5 | 72% | 0.715 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 126 | 174 | -67 | -179.7 | 12.8 | 0 | 0 | 110.2 | E167 | E167-Q170 VanDerWaalsContact O-CG 3.28Å; E167-Q170 WeakPolarHBondContact O-CG 3.27Å |
| 171 | G | 86.8 | Confident | 91.2 | Very high | 70 Ų | 70 | 86.1 Ų | 86.1 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -0.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D169 | D169-G171 PolarHBondContact O-N 2.82Š|
| 172 | K | 93.4 | Very high | 91.3 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -88.3 | 157.2 | 173.5 | -57.9 | -177.3 | -170.4 | 165.4 | 0 | 111.6 | E155 V157 Q168 D169 I174 | E155-K172 HydrophobicContact CB-CD 4.05Å; E155-K172 HydrophobicContact CB-CG 4.13Å; E155-K172 VanDerWaalsContact OE2-CE 3.23Å; E155-K172 WeakPolarHBondContact OE2-CE 3.2Å; E155-K172 IonicContact OE2-NZ 3.09Å; V157-K172 HydrophobicContact CG2-CB 3.84Å; V157-K172 HydrophobicContact CG2-CD 3.47Å; V157-K172 VanDerWaalsContact CG2-CD 3.47Å; V157-K172 HydrophobicContact CG2-CG 4.3Å; Q168-K172 WeakPolarHBondContact O-CE 3.41Å; Q168-K172 PolarHBondContact O-NZ 3.19Å; D169-K172 HydrophobicContact CB-CD 4.44Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 VanDerWaalsContact O-N 3.17Å; D169-K172 IonicContact OD1-NZ 3.54Å; D169-K172 PolarHBondContact OD1-NZ 3.18Å; K172-I174 PolarHBondContact O-N 3.06Å |
| 173 | R | 93.3 | Very high | 91.5 | Very high | 36 Ų | 36 | 85 Ų | 85 | 14% | 0.136 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.1 | 175.5 | -179.6 | 174.8 | 71.7 | 173.6 | -0.3 | 110.1 | E145 I154 E155 T156 V157 I175 | E145-R173 IonicContact OE1-CZ 2.84Å; E145-R173 IonicContact OE1-NH1 3.97Å; E145-R173 PolarHBondContact OE1-NH1 3.13Å; E145-R173 IonicContact OE1-NH2 2.92Å; I154-R173 HydrophobicContact CD1-CB 3.85Å; I154-R173 HydrophobicContact CG1-CB 4.11Å; E155-R173 WeakPolarHBondContact O-CB 3.11Å; E155-R173 PolarHBondContact O-N 3.25Å; T156-R173 CarbonylContact C-O 3.54Å; T156-R173 VanDerWaalsContact CA-O 3.31Å; T156-R173 WeakPolarHBondContact CA-O 3.31Å; T156-R173 HydrophobicContact CG2-CB 4.3Å; T156-R173 VanDerWaalsContact CG2-NE 3.34Å; T156-R173 VanDerWaalsContact CG2-NH2 3.29Å; V157-R173 PolarHBondContact N-O 3.11Å; R173-I175 HydrophobicContact CG-CD1 4.1Å |
| 174 | I | 94.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 87 Ų | 87 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.6 | 179.9 | -61.2 | 167 | 0 | 0 | 0 | 110.4 | Q144 L159 P165 K172 E176 | Q144-I174 PolarHBondContact NE2-O 3.46Å; L159-I174 HydrophobicContact CB-CG2 4.28Å; L159-I174 HydrophobicContact CD1-CD1 4.4Å; L159-I174 HydrophobicContact CD1-CG1 4.44Å; L159-I174 HydrophobicContact CD1-CG2 3.55Å; L159-I174 HydrophobicContact CG-CG2 3.93Å; P165-I174 HydrophobicContact CB-CD1 4.33Å; P165-I174 HydrophobicContact CG-CD1 3.83Å; K172-I174 PolarHBondContact O-N 3.06Å; I174-E176 HydrophobicContact CG2-CG 4.02Å |
| 175 | I | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 104.2 | 171.4 | -51.3 | -57.5 | 0 | 0 | 0 | 108.3 | I137 Q140 I141 V157 V158 L159 R173 | I137-I175 HydrophobicContact CG2-CG2 4.37Å; Q140-I175 HydrophobicContact CB-CG2 3.81Å; I141-I175 HydrophobicContact CG1-CD1 3.69Å; I141-I175 HydrophobicContact CG1-CG1 3.89Å; I141-I175 HydrophobicContact CG1-CG2 4.45Å; V157-I175 PolarHBondContact O-N 2.95Å; V158-I175 WeakPolarHBondContact CA-O 3.19Å; V158-I175 HydrophobicContact CG2-CB 4.48Å; L159-I175 PolarHBondContact N-O 3.24Å; R173-I175 HydrophobicContact CG-CD1 4.1Å |
| 176 | E | 93.5 | Very high | 92 | Very high | 134 Ų | 134 | 85.5 Ų | 85.5 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 138.4 | -178.4 | -63.9 | 179.5 | 174 | 0 | 0 | 112 | Q140 L159 I174 | Q140-E176 PolarHBondContact NE2-O 2.95Å; Q140-E176 PolarHBondContact OE1-O 3.46Å; L159-E176 CarbonylContact O-C 3.53Å; L159-E176 WeakPolarHBondContact O-CA 3.39Å; I174-E176 HydrophobicContact CG2-CG 4.02Å |
| 177 | R | 94.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 87.9 Ų | 87.9 | 5% | 0.049 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.6 | -178.2 | -79.7 | -90 | 152.6 | -172.7 | -42.8 | 110.6 | E133 E136 I137 Q140 V158 L159 Y160 T161 R179 | E133-R177 IonicContact OE1-CZ 3.91Å; E133-R177 IonicContact OE1-NH1 2.77Å; E133-R177 PolarHBondContact OE1-NH1 3.48Å; E133-R177 VanDerWaalsContact OE1-NH1 3.09Å; E136-R177 VanDerWaalsContact C-CZ 3.43Å; E136-R177 VanDerWaalsContact CB-CZ 3.43Å; E136-R177 PolarHBondContact O-NH2 2.94Å; E136-R177 IonicContact OE2-CZ 2.72Å; E136-R177 IonicContact OE2-NH1 3.63Å; E136-R177 PolarHBondContact OE2-NH1 2.75Å; I137-R177 VanDerWaalsContact CG1-NE 3.33Å; I137-R177 VanDerWaalsContact N-CZ 3.29Å; Q140-R177 VanDerWaalsContact OE1-CZ 3.29Å; V158-R177 HydrophobicContact CG1-CG 3.75Å; L159-R177 WeakPolarHBondContact O-CB 3.48Å; L159-R177 PolarHBondContact O-N 3.38Å; Y160-R177 HydrophobicContact CD1-CB 3.52Å; Y160-R177 HydrophobicContact CD1-CG 4.24Å; Y160-R177 HydrophobicContact CE1-CB 3.73Å; Y160-R177 HydrophobicContact CE1-CG 3.96Å; Y160-R177 HydrophobicContact CG-CB 4.08Å; T161-R177 WeakPolarHBondContact CG2-O 3.21Å; T161-R177 PolarHBondContact N-O 2.97Å; R177-R179 PolarHBondContact O-N 3.14Å |
| 178 | D | 92.4 | Very high | 92 | Very high | 146 Ų | 146 | 88.8 Ų | 88.8 | 78% | 0.781 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -75.2 | 44.7 | 176.1 | -55.1 | -37.3 | 0 | 0 | 0 | 112.8 | ||
| 179 | R | 93.4 | Very high | 92.3 | Very high | 137 Ų | 137 | 85.8 Ų | 85.8 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -141.5 | 158.6 | 179.9 | -165.3 | -178.3 | 178 | -171.3 | 2.7 | 109 | E133 Y160 T161 R177 | E133-R179 IonicContact OE2-CZ 2.79Å; E133-R179 IonicContact OE2-NH1 3.87Å; E133-R179 PolarHBondContact OE2-NH1 3.37Å; Y160-R179 WeakPolarHBondContact CB-O 3.24Å; Y160-R179 HydrophobicContact CD1-CB 4.29Å; Y160-R179 VanDerWaalsContact CD1-O 3.27Å; Y160-R179 WeakPolarHBondContact CD1-O 3.44Å; Y160-R179 HydrophobicContact CE1-CB 4.49Å; T161-R179 PolarHBondContact N-O 3.2Å; T161-R179 VanDerWaalsContact N-O 3.08Å; T161-R179 PolarHBondContact OG1-O 3.36Å; T161-R179 VanDerWaalsContact OG1-O 3.11Å; R177-R179 PolarHBondContact O-N 3.14Å |
| 180 | K | 94.9 | Very high | 92.6 | Very high | 170 Ų | 170 | 89.6 Ų | 89.6 | 74% | 0.739 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 144.1 | 165.9 | -61.6 | -175.6 | 178.8 | -175.3 | 0 | 110.4 | ||
| 181 | R | 95 | Very high | 93 | Very high | 62 Ų | 62 | 86.1 Ų | 86.1 | 23% | 0.234 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 128.8 | 178 | -164.6 | -178.6 | -149.3 | 112 | 5.1 | 111.2 | Y160 E163 F185 T186 Q187 | Y160-R181 HydrophobicContact CD2-CB 3.92Å; Y160-R181 HydrophobicContact CD2-CG 3.7Å; Y160-R181 HydrophobicContact CE2-CG 4Å; Y160-R181 HydrophobicContact CG-CB 3.93Å; Y160-R181 HydrophobicContact CG-CG 4.23Å; E163-R181 WeakPolarHBondContact OE1-CB 3.29Å; E163-R181 VanDerWaalsContact OE1-CD 3.26Å; E163-R181 WeakPolarHBondContact OE1-CD 3.48Å; E163-R181 IonicContact OE1-CZ 3.69Å; E163-R181 IonicContact OE1-NE 2.79Å; E163-R181 IonicContact OE1-NH1 3.71Å; E163-R181 PolarHBondContact OE1-NH1 2.7Å; E163-R181 IonicContact OE2-CZ 3.06Å; E163-R181 IonicContact OE2-NH1 3.88Å; E163-R181 PolarHBondContact OE2-NH1 2.79Å; R181-F185 VanDerWaalsContact CD-O 3.23Å; R181-F185 WeakPolarHBondContact CD-O 3.47Å; R181-F185 WeakPolarHBondContact CG-O 3.13Å; R181-F185 PolarHBondContact NE-O 2.78Å; R181-T186 PolarHBondContact NH2-O 2.78Å; R181-T186 VanDerWaalsContact NH2-O 3.15Å; R181-Q187 VanDerWaalsContact NH2-CA 3.26Å |
| 182 | P | 95.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 87 Ų | 87 | 12% | 0.117 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 141.3 | 171.8 | -19.1 | 31.4 | 0 | 0 | 0 | 111.6 | W184 F185 | P182-W184 HydrophobicContact CB-CD2 4.31Å; P182-W184 HydrophobicContact CB-CG 4.45Å; P182-W184 HydrophobicContact CB-CZ2 4.04Å; P182-W184 HydrophobicContact CG-CZ2 4.22Å; P182-W184 PolarHBondContact O-N 3.15Å; P182-W184 VanDerWaalsContact O-N 3.16Å; P182-F185 HydrophobicContact CB-CB 4.33Å; P182-F185 HydrophobicContact CG-CB 4.5Å; P182-F185 PolarHBondContact O-N 3.13Å |
| 183 | S | 93.6 | Very high | 93.3 | Very high | 122 Ų | 122 | 88.8 Ų | 88.8 | 85% | 0.853 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.7 | -178.5 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | F185 | S183-F185 VanDerWaalsContact C-N 3.34Š|
| 184 | W | 94.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 92.3 Ų | 92.3 | 35% | 0.345 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.2 | 179.3 | 57.6 | -92.6 | 0 | 0 | 0 | 113.4 | V130 E133 P182 | V130-W184 HydrophobicContact CB-CH2 4.26Å; V130-W184 HydrophobicContact CB-CZ3 4.48Å; V130-W184 HydrophobicContact CG1-CH2 4.44Å; V130-W184 HydrophobicContact CG1-CZ3 4.45Å; V130-W184 HydrophobicContact CG2-CE3 4.15Å; V130-W184 HydrophobicContact CG2-CH2 3.79Å; V130-W184 HydrophobicContact CG2-CZ2 4.3Å; V130-W184 HydrophobicContact CG2-CZ3 3.7Å; E133-W184 HydrophobicContact CB-CH2 4.22Å; E133-W184 HydrophobicContact CB-CZ2 4.39Å; E133-W184 HydrophobicContact CG-CH2 4.34Å; P182-W184 HydrophobicContact CB-CD2 4.31Å; P182-W184 HydrophobicContact CB-CG 4.45Å; P182-W184 HydrophobicContact CB-CZ2 4.04Å; P182-W184 HydrophobicContact CG-CZ2 4.22Å; P182-W184 PolarHBondContact O-N 3.15Å; P182-W184 VanDerWaalsContact O-N 3.16Å |
| 185 | F | 95.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 94.9 Ų | 94.9 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -108.4 | 91.3 | -179.8 | -169 | -136.2 | 0 | 0 | 0 | 109.3 | V158 Y160 R181 P182 S183 | V158-F185 HydrophobicContact CB-CE1 4.42Å; V158-F185 HydrophobicContact CG1-CE1 4.4Å; Y160-F185 AromaticContact CE2-CD1 3.53Å; Y160-F185 HydrophobicContact CE2-CD1 3.53Å; Y160-F185 AromaticContact CE2-CE1 3.7Å; Y160-F185 HydrophobicContact CE2-CE1 3.7Å; Y160-F185 AromaticContact CZ-CD1 3.88Å; Y160-F185 WeakPolarHBondContact OH-CD1 3.47Å; R181-F185 VanDerWaalsContact CD-O 3.23Å; R181-F185 WeakPolarHBondContact CD-O 3.47Å; R181-F185 WeakPolarHBondContact CG-O 3.13Å; R181-F185 PolarHBondContact NE-O 2.78Å; P182-F185 HydrophobicContact CB-CB 4.33Å; P182-F185 HydrophobicContact CG-CB 4.5Å; P182-F185 PolarHBondContact O-N 3.13Å; S183-F185 VanDerWaalsContact C-N 3.34Å |
| 186 | T | 93.2 | Very high | 93.2 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | trans | -70.2 | 156.5 | -178 | 51.7 | 0 | 0 | 0 | 0 | 112 | R181 N188 | R181-T186 PolarHBondContact NH2-O 2.78Å; R181-T186 VanDerWaalsContact NH2-O 3.15Å; T186-N188 PolarHBondContact OG1-OD1 3.38Å | ||
| 187 | Q | 89.6 | Confident | 93.1 | Very high | 100 Ų | 100 | 99.5 Ų | 99.5 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | trans | -85.8 | 120.5 | 165.4 | -165.3 | 170.1 | 0.5 | 0 | 0 | 107.4 | R181 | R181-Q187 VanDerWaalsContact NH2-CA 3.26Š| ||
| 188 | N | 85.6 | Confident | 93 | Very high | 182 Ų | 182 | 107.4 Ų | 107.4 | 97% | 0.973 | 53% | 0.532 | S | S | * | . | trans | -116.7 | 0 | 179.6 | -60.2 | -17.4 | 0 | 0 | 0 | 109.2 | T186 | T186-N188 PolarHBondContact OG1-OD1 3.38Š|
Retrieved 188 of 188 residues in 28.3 ms
(Link to these results)