| 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 | 80.7 | Confident | 93.7 | Very high | 158 Ų | 158 | 125.6 Ų | 125.6 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | 0 | 111.6 | 0 | -174.6 | -166.1 | -97.3 | 0 | 0 | 108 | E5 L6 | M1-E5 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact CG-CD2 4.08Å; M1-L6 HydrophobicContact SD-CD2 3.33Å; M1-L6 WeakPolarHBondContact SD-CD2 3.13Å; M1-L6 HydrophobicContact SD-CG 4.43Å | |||
| 2 | K | 93.2 | Very high | 93.9 | Very high | 131 Ų | 131 | 121.5 Ų | 121.5 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | trans | -81.9 | 163 | 172.1 | -60.8 | 175.1 | -174.1 | 170 | 0 | 109.6 | H4 E5 | K2-H4 VanDerWaalsContact CB-CE1 3.45Å; K2-H4 WeakPolarHBondContact CB-CE1 3.15Å; K2-H4 WeakPolarHBondContact CD-CE1 3.43Å; K2-H4 PolarHBondContact O-N 3.35Å; K2-E5 HydrophobicContact CB-CG 4.27Å; K2-E5 PolarHBondContact N-OE2 3.44Å; K2-E5 PolarHBondContact O-N 2.77Å | ||
| 3 | L | 95.1 | Very high | 94.1 | Very high | 160 Ų | 160 | 128 Ų | 128 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -57.6 | -23.9 | -179 | -68.7 | 176.3 | 0 | 0 | 0 | 114.1 | L6 | L3-L6 WeakPolarHBondContact O-CG 3.21Š|
| 4 | H | 95.3 | Very high | 94.2 | Very high | 148 Ų | 148 | 132.6 Ų | 132.6 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -89.4 | -1.2 | 176.6 | 56.8 | -92.7 | 0 | 0 | 0 | 114.1 | K2 | K2-H4 VanDerWaalsContact CB-CE1 3.45Å; K2-H4 WeakPolarHBondContact CB-CE1 3.15Å; K2-H4 WeakPolarHBondContact CD-CE1 3.43Å; K2-H4 PolarHBondContact O-N 3.35Å |
| 5 | E | 95.8 | Very high | 94.2 | Very high | 92 Ų | 92 | 133.2 Ų | 133.2 | 43% | 0.43 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -113.2 | 14.3 | -178.4 | -58.7 | 169.6 | 164.3 | 0 | 0 | 111.9 | M1 K2 Q7 | M1-E5 HydrophobicContact CG-CB 4.29Å; K2-E5 HydrophobicContact CB-CG 4.27Å; K2-E5 PolarHBondContact N-OE2 3.44Å; K2-E5 PolarHBondContact O-N 2.77Å; E5-Q7 PolarHBondContact O-N 3.05Å; E5-Q7 VanDerWaalsContact O-N 3.08Å |
| 6 | L | 93.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 137.5 Ų | 137.5 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | trans | -62.3 | 114.1 | -177.5 | -63.8 | 178.2 | 0 | 0 | 0 | 110.4 | M1 L3 | M1-L6 HydrophobicContact CG-CD2 4.08Å; M1-L6 HydrophobicContact SD-CD2 3.33Å; M1-L6 WeakPolarHBondContact SD-CD2 3.13Å; M1-L6 HydrophobicContact SD-CG 4.43Å; L3-L6 WeakPolarHBondContact O-CG 3.21Å | ||
| 7 | Q | 93.3 | Very high | 94.3 | Very high | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -114.8 | 129.7 | 171.2 | -70.1 | -172.2 | -23 | 0 | 0 | 109.5 | E5 | E5-Q7 PolarHBondContact O-N 3.05Å; E5-Q7 VanDerWaalsContact O-N 3.08Å | ||
| 8 | P | 94.7 | Very high | 94.3 | Very high | 78 Ų | 78 | 137.6 Ų | 137.6 | 51% | 0.506 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 153.9 | 171.8 | 31.9 | -34.5 | 0 | 0 | 0 | 110 | S12 R13 | P8-S12 WeakPolarHBondContact CB-OG 3.45Å; P8-R13 HydrophobicContact CB-CG 4.26Å |
| 9 | A | 96.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 133.8 Ų | 133.8 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G11 S12 | A9-G11 PolarHBondContact O-N 3.31Å; A9-S12 VanDerWaalsContact O-CB 3.29Å; A9-S12 WeakPolarHBondContact O-CB 3.46Å; A9-S12 PolarHBondContact O-N 2.87Å; A9-S12 PolarHBondContact O-OG 2.96Å |
| 10 | E | 96.1 | Very high | 94.5 | Very high | 201 Ų | 201 | 128.5 Ų | 128.5 | 94% | 0.939 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 133.1 | 179.4 | -168.6 | 176.3 | 174.9 | 0 | 0 | 110.8 | S12 | E10-S12 PolarHBondContact O-N 3.21Å; E10-S12 VanDerWaalsContact O-N 3.16Å |
| 11 | G | 96.2 | Very high | 94.6 | Very high | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | -9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | A9 R13 | A9-G11 PolarHBondContact O-N 3.31Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.48Å |
| 12 | S | 96.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 125.9 Ų | 125.9 | 53% | 0.531 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -69.7 | -20.6 | -179.5 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | P8 A9 E10 | P8-S12 WeakPolarHBondContact CB-OG 3.45Å; A9-S12 VanDerWaalsContact O-CB 3.29Å; A9-S12 WeakPolarHBondContact O-CB 3.46Å; A9-S12 PolarHBondContact O-N 2.87Å; A9-S12 PolarHBondContact O-OG 2.96Å; E10-S12 PolarHBondContact O-N 3.21Å; E10-S12 VanDerWaalsContact O-N 3.16Å |
| 13 | R | 95.8 | Very high | 95.3 | Very high | 206 Ų | 206 | 125.6 Ų | 125.6 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | trans | -126.4 | 135 | 178.4 | -65.5 | -169.8 | 175.7 | -163.5 | -0.5 | 110.8 | P8 G11 | P8-R13 HydrophobicContact CB-CG 4.26Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.48Å | ||
| 14 | K | 95.6 | Very high | 95.3 | Very high | 193 Ų | 193 | 123.8 Ų | 123.8 | 84% | 0.839 | 65% | 0.648 | S | S | * | * | trans | -119.6 | 143.5 | 173.5 | -62.9 | -176.8 | -178 | -179.4 | 0 | 109.5 | R16 | K14-R16 PolarHBondContact O-N 2.92Š| ||
| 15 | V | 94.3 | Very high | 95.2 | Very high | 141 Ų | 141 | 119 Ų | 119 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 126.9 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 16 | R | 95.5 | Very high | 95.1 | Very high | 202 Ų | 202 | 117.8 Ų | 117.8 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 140.7 | 177.4 | 70.3 | 179.2 | 178.6 | 173.9 | -2 | 111 | K14 R18 | K14-R16 PolarHBondContact O-N 2.92Å; R16-R18 HydrophobicContact CG-CG 4.15Å; R16-R18 PolarHBondContact O-N 2.95Å |
| 17 | N | 94.3 | Very high | 95.2 | Very high | 108 Ų | 108 | 114.2 Ų | 114.2 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 117.5 | 171 | -173 | 14 | 0 | 0 | 0 | 109.9 | N27 | N17-N27 PolarHBondContact ND2-ND2 3.3Å; N17-N27 VanDerWaalsContact ND2-ND2 3.12Å |
| 18 | R | 95.4 | Very high | 95.3 | Very high | 168 Ų | 168 | 107.2 Ų | 107.2 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | trans | -99.6 | 94.1 | 177 | -67.4 | -172.6 | -67.8 | 177.9 | -1.7 | 109.4 | R16 | R16-R18 HydrophobicContact CG-CG 4.15Å; R16-R18 PolarHBondContact O-N 2.95Å | ||
| 19 | V | 96.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 111.8 Ų | 111.8 | 40% | 0.4 | 61% | 0.608 | S | S | . | * | trans | -71.5 | 152.5 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | N27 | V19-N27 HydrophobicContact CB-CB 4.11Å; V19-N27 HydrophobicContact CG1-CB 3.87Å | ||
| 20 | G | 95.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 110.3 Ų | 110.3 | 28% | 0.278 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 74.7 | 30.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N27 G28 | G20-N27 PolarHBondContact N-O 3.07Å; G20-G28 WeakPolarHBondContact CA-O 3.43Å |
| 21 | R | 96.6 | Very high | 95.3 | Very high | 188 Ų | 188 | 102.6 Ų | 102.6 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -132 | 64 | -176.7 | -62.9 | -64.4 | -179.1 | -81.9 | -0.3 | 112.2 | ||
| 22 | G | 94.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 102.5 Ų | 102.5 | 46% | 0.464 | 56% | 0.559 | S | S | . | * | trans | 86.5 | 160.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S25 G28 | G22-S25 PolarHBondContact O-OG 3.17Å; G22-S25 VanDerWaalsContact O-OG 3.11Å; G22-G28 WeakPolarHBondContact O-CA 3.13Å | ||
| 23 | T | 94.8 | Very high | 95.3 | Very high | 125 Ų | 125 | 105.8 Ų | 105.8 | 77% | 0.767 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -74.3 | -28.9 | -172.2 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | S25 G26 | T23-S25 PolarHBondContact O-N 3.44Å; T23-G26 PolarHBondContact O-N 3.39Å |
| 24 | S | 95 | Very high | 95.3 | Very high | 121 Ų | 121 | 97.8 Ų | 97.8 | 85% | 0.846 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.3 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | G26 | S24-G26 PolarHBondContact O-N 3.15Š|
| 25 | S | 92.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -73.4 | -8.5 | 176.8 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | G22 T23 N27 | G22-S25 PolarHBondContact O-OG 3.17Å; G22-S25 VanDerWaalsContact O-OG 3.11Å; T23-S25 PolarHBondContact O-N 3.44Å; S25-N27 PolarHBondContact O-N 3.03Å; S25-N27 VanDerWaalsContact O-N 3.1Å; S25-N27 PolarHBondContact OG-N 3.05Å |
| 26 | G | 94.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 96.7 Ų | 96.7 | 68% | 0.68 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 73.5 | -12.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T23 S24 | T23-G26 PolarHBondContact O-N 3.39Å; S24-G26 PolarHBondContact O-N 3.15Å |
| 27 | N | 95.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 89.2 Ų | 89.2 | 22% | 0.219 | 51% | 0.513 | C | S | . | . | trans | -116.1 | 27.7 | -176.7 | -68.3 | -58.9 | 0 | 0 | 0 | 112.8 | N17 V19 G20 S25 S31 | N17-N27 PolarHBondContact ND2-ND2 3.3Å; N17-N27 VanDerWaalsContact ND2-ND2 3.12Å; V19-N27 HydrophobicContact CB-CB 4.11Å; V19-N27 HydrophobicContact CG1-CB 3.87Å; G20-N27 PolarHBondContact N-O 3.07Å; S25-N27 PolarHBondContact O-N 3.03Å; S25-N27 VanDerWaalsContact O-N 3.1Å; S25-N27 PolarHBondContact OG-N 3.05Å; N27-S31 VanDerWaalsContact O-CA 3.31Å; N27-S31 WeakPolarHBondContact O-CA 3.45Å | ||
| 28 | G | 94.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 90.1 Ų | 90.1 | 16% | 0.155 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -70.5 | -77.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G20 G22 | G20-G28 WeakPolarHBondContact CA-O 3.43Å; G22-G28 WeakPolarHBondContact O-CA 3.13Å |
| 29 | K | 95.7 | Very high | 95.7 | Very high | 174 Ų | 174 | 90 Ų | 90 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -63.7 | -57.2 | -169 | -177.3 | 179 | 178.9 | 175.9 | 0 | 113.5 | ||
| 30 | T | 96.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 87.9 Ų | 87.9 | 26% | 0.264 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -99.2 | 0.9 | -174.7 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | G32 R33 G34 | T30-G32 PolarHBondContact O-N 3.33Å; T30-G32 VanDerWaalsContact O-N 3.11Å; T30-R33 VanDerWaalsContact O-CB 3.31Å; T30-R33 WeakPolarHBondContact O-CB 3.24Å; T30-R33 PolarHBondContact O-N 2.94Å; T30-G34 VanDerWaalsContact CB-O 3.26Å; T30-G34 WeakPolarHBondContact CB-O 3.41Å; T30-G34 WeakPolarHBondContact CG2-O 3.49Å |
| 31 | S | 96 | Very high | 95.7 | Very high | 40 Ų | 40 | 94.1 Ų | 94.1 | 28% | 0.28 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 34.7 | -177.6 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | N27 R33 | N27-S31 VanDerWaalsContact O-CA 3.31Å; N27-S31 WeakPolarHBondContact O-CA 3.45Å; S31-R33 VanDerWaalsContact C-N 3.32Å; S31-R33 PolarHBondContact O-N 3.29Å |
| 32 | G | 95.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 91.1 Ų | 91.1 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | T30 | T30-G32 PolarHBondContact O-N 3.33Å; T30-G32 VanDerWaalsContact O-N 3.11Å |
| 33 | R | 96.6 | Very high | 95.7 | Very high | 145 Ų | 145 | 93.1 Ų | 93.1 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -95.9 | -8.7 | -173.2 | -58.3 | -176.5 | 176 | -150.9 | -1.8 | 115.7 | T30 S31 A40 R41 | T30-R33 VanDerWaalsContact O-CB 3.31Å; T30-R33 WeakPolarHBondContact O-CB 3.24Å; T30-R33 PolarHBondContact O-N 2.94Å; S31-R33 VanDerWaalsContact C-N 3.32Å; S31-R33 PolarHBondContact O-N 3.29Å; R33-A40 HydrophobicContact CB-CB 4.35Å; R33-R41 PolarHBondContact NH1-O 3.06Å |
| 34 | G | 95.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 89 Ų | 89 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | trans | 77.8 | -171.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T30 | T30-G34 VanDerWaalsContact CB-O 3.26Å; T30-G34 WeakPolarHBondContact CB-O 3.41Å; T30-G34 WeakPolarHBondContact CG2-O 3.49Å | ||
| 35 | Q | 96.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -86.1 | -50.4 | -169.3 | -60.9 | -60.8 | -34.8 | 0 | 0 | 114.4 | ||
| 36 | K | 96.3 | Very high | 95.8 | Very high | 178 Ų | 178 | 85.8 Ų | 85.8 | 77% | 0.774 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -138.5 | -176.3 | -171.5 | -63.9 | -178.2 | -177.5 | 177.4 | 0 | 109.6 | ||
| 37 | G | 96.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 90.9 Ų | 90.9 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 95.9 | 162.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K39 A40 | G37-K39 PolarHBondContact O-N 3.06Å; G37-A40 PolarHBondContact O-N 2.84Å |
| 38 | Q | 96.8 | Very high | 96 | Very high | 127 Ų | 127 | 97.4 Ų | 97.4 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -56.1 | -37.2 | -175.1 | -173.7 | -179.4 | 9.4 | 0 | 0 | 112.7 | A40 R41 G44 G45 | Q38-A40 VanDerWaalsContact C-N 3.28Å; Q38-A40 PolarHBondContact O-N 3.02Å; Q38-R41 PolarHBondContact O-N 2.79Å; Q38-G44 VanDerWaalsContact O-CA 3.27Å; Q38-G44 WeakPolarHBondContact O-CA 3.2Å; Q38-G45 PolarHBondContact NE2-O 3.25Å; Q38-G45 VanDerWaalsContact NE2-O 3.12Å |
| 39 | K | 96.7 | Very high | 96 | Very high | 166 Ų | 166 | 98.8 Ų | 98.8 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -67.9 | -22 | 179.2 | -66.8 | -177.7 | 179.2 | 178.2 | 0 | 114 | G37 | G37-K39 PolarHBondContact O-N 3.06Š|
| 40 | A | 96.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 95 Ų | 95 | 17% | 0.174 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -84.3 | -21.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R33 G37 Q38 | R33-A40 HydrophobicContact CB-CB 4.35Å; G37-A40 PolarHBondContact O-N 2.84Å; Q38-A40 VanDerWaalsContact C-N 3.28Å; Q38-A40 PolarHBondContact O-N 3.02Å |
| 41 | R | 96.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -76.1 | 157.9 | -176.9 | -55.9 | -55.1 | -175.1 | -168.3 | 2.9 | 112.3 | R33 Q38 G44 | R33-R41 PolarHBondContact NH1-O 3.06Å; Q38-R41 PolarHBondContact O-N 2.79Å; R41-G44 PolarHBondContact O-N 3.41Å; R41-G44 VanDerWaalsContact O-N 3.1Å |
| 42 | S | 96.2 | Very high | 96.2 | Very high | 125 Ų | 125 | 97.2 Ų | 97.2 | 87% | 0.874 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 136.9 | 171.7 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | G44 | S42-G44 PolarHBondContact O-N 2.77Š|
| 43 | G | 94.7 | Very high | 96.2 | Very high | 86 Ų | 86 | 97.5 Ų | 97.5 | 89% | 0.887 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.1 | 13.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 44 | G | 93.6 | Very high | 96.2 | Very high | 38 Ų | 38 | 96 Ų | 96 | 39% | 0.392 | 57% | 0.566 | S | S | . | * | trans | -72.4 | 179.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q38 R41 S42 | Q38-G44 VanDerWaalsContact O-CA 3.27Å; Q38-G44 WeakPolarHBondContact O-CA 3.2Å; R41-G44 PolarHBondContact O-N 3.41Å; R41-G44 VanDerWaalsContact O-N 3.1Å; S42-G44 PolarHBondContact O-N 2.77Å | ||
| 45 | G | 95.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 98 Ų | 98 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | S | Bend | trans | 108.2 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q38 | Q38-G45 PolarHBondContact NE2-O 3.25Å; Q38-G45 VanDerWaalsContact NE2-O 3.12Å |
| 46 | V | 96.2 | Very high | 96.3 | Very high | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | trans | -119.6 | 149.2 | 174.7 | -65.1 | 0 | 0 | 0 | 0 | 108 | F50 | V46-F50 HydrophobicContact CB-CB 4.3Å; V46-F50 HydrophobicContact CB-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CE1 4.35Å; V46-F50 HydrophobicContact CG2-CD1 4.46Å | ||
| 47 | R | 95.9 | Very high | 96.4 | Very high | 174 Ų | 174 | 88.1 Ų | 88.1 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | trans | -57.4 | 150.4 | 175.9 | 67.3 | 176 | -179.8 | 170 | -2.4 | 110.7 | G49 F50 | R47-G49 PolarHBondContact O-N 3.34Å; R47-F50 HydrophobicContact CG-CB 3.86Å; R47-F50 WeakPolarHBondContact O-CB 3.49Å; R47-F50 PolarHBondContact O-N 3.22Å | ||
| 48 | L | 96.5 | Very high | 96.3 | Very high | 178 Ų | 178 | 92.5 Ų | 92.5 | 93% | 0.932 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.4 | 174 | -65.8 | 174.3 | 0 | 0 | 0 | 110.1 | ||
| 49 | G | 96 | Very high | 96.3 | Very high | 44 Ų | 44 | 94.4 Ų | 94.4 | 45% | 0.454 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 6.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R47 P56 | R47-G49 PolarHBondContact O-N 3.34Å; G49-P56 WeakPolarHBondContact O-CB 3.21Å |
| 50 | F | 97.3 | Very high | 96.3 | Very high | 94 Ų | 94 | 92.6 Ų | 92.6 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | trans | -81.9 | 119.7 | 172.6 | -176.7 | -113.5 | 0 | 0 | 0 | 111.9 | V46 R47 | V46-F50 HydrophobicContact CB-CB 4.3Å; V46-F50 HydrophobicContact CB-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CE1 4.35Å; V46-F50 HydrophobicContact CG2-CD1 4.46Å; R47-F50 HydrophobicContact CG-CB 3.86Å; R47-F50 WeakPolarHBondContact O-CB 3.49Å; R47-F50 PolarHBondContact O-N 3.22Å | ||
| 51 | E | 97.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 96.7 Ų | 96.7 | 30% | 0.299 | 55% | 0.545 | S | S | . | . | B | Isolated β-bridge | trans | -102.2 | 34.4 | -177.7 | -66.6 | 176.3 | -155.9 | 0 | 0 | 112.5 | G53 Q54 P56 L57 R60 | E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 2.86Å; E51-Q54 HydrophobicContact CB-CB 3.99Å; E51-Q54 WeakPolarHBondContact O-CB 3.47Å; E51-Q54 PolarHBondContact O-N 3.08Å; E51-P56 WeakPolarHBondContact OE1-CA 3.49Å; E51-L57 PolarHBondContact OE1-N 2.87Å; E51-R60 IonicContact OE1-NH2 2.64Å; E51-R60 IonicContact OE2-CZ 3.96Å; E51-R60 IonicContact OE2-NH2 2.78Å; E51-R60 PolarHBondContact OE2-NH2 3.23Å |
| 52 | G | 96.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 94.5 Ų | 94.5 | 68% | 0.68 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.7 | 15.3 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 53 | G | 96.4 | Very high | 96.4 | Very high | 65 Ų | 65 | 98.9 Ų | 98.9 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.1 | -19.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E51 | E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 2.86Å |
| 54 | Q | 97.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 106.3 Ų | 106.3 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -65.8 | 145.8 | 169 | -176.3 | 172.2 | 5.1 | 0 | 0 | 110.9 | E51 P56 | E51-Q54 HydrophobicContact CB-CB 3.99Å; E51-Q54 WeakPolarHBondContact O-CB 3.47Å; E51-Q54 PolarHBondContact O-N 3.08Å; Q54-P56 WeakPolarHBondContact O-CD 3.44Å |
| 55 | T | 96.7 | Very high | 96.6 | Very high | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 116 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | R59 R60 | T55-R59 HydrophobicContact CG2-CB 3.65Å; T55-R60 HydrophobicContact CG2-CG 3.95Å; T55-R60 WeakPolarHBondContact O-CD 3.46Å; T55-R60 PolarHBondContact O-NE 3.3Å |
| 56 | P | 97.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 115.5 Ų | 115.5 | 8% | 0.078 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -58.4 | 151.7 | -175.5 | -28.2 | 36.6 | 0 | 0 | 0 | 113.4 | G49 E51 Q54 F58 R59 R60 | G49-P56 WeakPolarHBondContact O-CB 3.21Å; E51-P56 WeakPolarHBondContact OE1-CA 3.49Å; Q54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-F58 VanDerWaalsContact C-N 3.27Å; P56-F58 HydrophobicContact CB-CD1 3.62Å; P56-F58 HydrophobicContact CB-CE1 3.26Å; P56-F58 HydrophobicContact CB-CG 4.48Å; P56-F58 HydrophobicContact CB-CZ 3.87Å; P56-F58 HydrophobicContact CG-CE1 3.93Å; P56-F58 HydrophobicContact CG-CZ 4.15Å; P56-F58 PolarHBondContact O-N 3.16Å; P56-F58 VanDerWaalsContact O-N 3.16Å; P56-R59 WeakPolarHBondContact O-CA 3.21Å; P56-R59 WeakPolarHBondContact O-CB 3.25Å; P56-R59 PolarHBondContact O-N 3.28Å; P56-R60 PolarHBondContact O-N 3.44Å |
| 57 | L | 97.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 118.1 Ų | 118.1 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -49.6 | -44.6 | -178.2 | -177.1 | 63.4 | 0 | 0 | 0 | 113.3 | E51 R59 R60 L61 | E51-L57 PolarHBondContact OE1-N 2.87Å; L57-R59 PolarHBondContact O-N 3.12Å; L57-R59 VanDerWaalsContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 2.93Å; L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 4.14Å; L57-L61 PolarHBondContact O-N 2.99Å; L57-L61 VanDerWaalsContact O-N 3.11Å |
| 58 | F | 96.2 | Very high | 96.8 | Very high | 136 Ų | 136 | 114 Ų | 114 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.2 | -12.6 | -179.6 | 68.1 | -93.9 | 0 | 0 | 0 | 114.3 | P56 | P56-F58 VanDerWaalsContact C-N 3.27Å; P56-F58 HydrophobicContact CB-CD1 3.62Å; P56-F58 HydrophobicContact CB-CE1 3.26Å; P56-F58 HydrophobicContact CB-CG 4.48Å; P56-F58 HydrophobicContact CB-CZ 3.87Å; P56-F58 HydrophobicContact CG-CE1 3.93Å; P56-F58 HydrophobicContact CG-CZ 4.15Å; P56-F58 PolarHBondContact O-N 3.16Å; P56-F58 VanDerWaalsContact O-N 3.16Å |
| 59 | R | 96 | Very high | 96.9 | Very high | 168 Ų | 168 | 111.8 Ų | 111.8 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -97.5 | -24.3 | 171.4 | -65.9 | -167.3 | 178.6 | -171.3 | -5.3 | 112.9 | T55 P56 L57 | T55-R59 HydrophobicContact CG2-CB 3.65Å; P56-R59 WeakPolarHBondContact O-CA 3.21Å; P56-R59 WeakPolarHBondContact O-CB 3.25Å; P56-R59 PolarHBondContact O-N 3.28Å; L57-R59 PolarHBondContact O-N 3.12Å; L57-R59 VanDerWaalsContact O-N 3.14Å |
| 60 | R | 96.7 | Very high | 96.9 | Very high | 127 Ų | 127 | 116 Ų | 116 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.9 | -32 | 175.9 | -68.2 | -173.9 | -86.6 | 156.2 | -5.9 | 111.8 | E51 T55 P56 L57 | E51-R60 IonicContact OE1-NH2 2.64Å; E51-R60 IonicContact OE2-CZ 3.96Å; E51-R60 IonicContact OE2-NH2 2.78Å; E51-R60 PolarHBondContact OE2-NH2 3.23Å; T55-R60 HydrophobicContact CG2-CG 3.95Å; T55-R60 WeakPolarHBondContact O-CD 3.46Å; T55-R60 PolarHBondContact O-NE 3.3Å; P56-R60 PolarHBondContact O-N 3.44Å; L57-R60 PolarHBondContact O-N 2.93Å |
| 61 | L | 96.3 | Very high | 96.9 | Very high | 107 Ų | 107 | 119.4 Ų | 119.4 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -82.4 | 138.3 | 177.9 | -63.5 | 175 | 0 | 0 | 0 | 111 | L57 | L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 4.14Å; L57-L61 PolarHBondContact O-N 2.99Å; L57-L61 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 97.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 147.2 | 176.3 | 29.7 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 63 | K | 97.3 | Very high | 96.8 | Very high | 218 Ų | 218 | 124.5 Ų | 124.5 | 95% | 0.948 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.4 | 164 | -62.9 | -179.2 | -177.6 | 178.5 | 0 | 108 | ||
| 64 | R | 97.3 | Very high | 96.8 | Very high | 241 Ų | 241 | 123.7 Ų | 123.7 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | trans | -141.5 | 143.9 | -179.9 | -178.8 | 177.2 | 167.8 | -175.8 | -3.4 | 111 | ||||
| 65 | G | 96.4 | Very high | 96.8 | Very high | 74 Ų | 74 | 118.8 Ų | 118.8 | 76% | 0.763 | 58% | 0.581 | S | S | * | * | trans | 97.1 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 66 | F | 97.1 | Very high | 96.8 | Very high | 187 Ų | 187 | 118.8 Ų | 118.8 | 82% | 0.82 | 58% | 0.581 | S | S | * | * | trans | -143.2 | 158.3 | 173.2 | 68.7 | -82.6 | 0 | 0 | 0 | 108 | N68 | F66-N68 HydrophobicContact CE2-CB 4.38Š| ||
| 67 | T | 97.3 | Very high | 96.8 | Very high | 128 Ų | 128 | 118.7 Ų | 118.7 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | trans | -98.2 | 118.3 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | V69 | T67-V69 PolarHBondContact O-N 3.3Š| ||
| 68 | N | 97.3 | Very high | 96.8 | Very high | 88 Ų | 88 | 116.4 Ų | 116.4 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | trans | -71.7 | 109.3 | 169.9 | 178.3 | -1.4 | 0 | 0 | 0 | 109.3 | F66 N70 R71 | F66-N68 HydrophobicContact CE2-CB 4.38Å; N68-N70 PolarHBondContact O-N 3.03Å; N68-N70 PolarHBondContact OD1-N 2.84Å; N68-R71 HydrophobicContact CB-CB 4.18Å; N68-R71 WeakPolarHBondContact O-CB 3.41Å; N68-R71 PolarHBondContact O-N 2.98Å | ||
| 69 | V | 96.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 110 Ų | 110 | 79% | 0.794 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.7 | -178.2 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | T67 | T67-V69 PolarHBondContact O-N 3.3Š|
| 70 | N | 96.8 | Very high | 96.7 | Very high | 132 Ų | 132 | 106 Ų | 106 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 23.7 | -178.7 | -63.1 | -19.3 | 0 | 0 | 0 | 112.1 | N68 K72 | N68-N70 PolarHBondContact O-N 3.03Å; N68-N70 PolarHBondContact OD1-N 2.84Å; N70-K72 PolarHBondContact O-N 3.39Å; N70-K72 VanDerWaalsContact O-N 3.09Å |
| 71 | R | 96.9 | Very high | 96.6 | Very high | 166 Ų | 166 | 101.5 Ų | 101.5 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | trans | -65 | 111.6 | 179.4 | -177.7 | 168.1 | 176.6 | -97.8 | -4.5 | 110.2 | N68 E73 | N68-R71 HydrophobicContact CB-CB 4.18Å; N68-R71 WeakPolarHBondContact O-CB 3.41Å; N68-R71 PolarHBondContact O-N 2.98Å; R71-E73 IonicContact CZ-OE1 3.03Å; R71-E73 IonicContact NH1-OE1 3.64Å; R71-E73 PolarHBondContact NH1-OE1 3.23Å; R71-E73 IonicContact NH2-OE1 2.98Å; R71-E73 PolarHBondContact O-N 3.44Å | ||
| 72 | K | 95.8 | Very high | 96.5 | Very high | 154 Ų | 154 | 96.4 Ų | 96.4 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 117.5 | 173.8 | -66.3 | -173.7 | 178.5 | -174.1 | 0 | 110.4 | N70 Y74 A107 | N70-K72 PolarHBondContact O-N 3.39Å; N70-K72 VanDerWaalsContact O-N 3.09Å; K72-Y74 HydrophobicContact CB-CE2 4.26Å; K72-A107 HydrophobicContact CB-CB 3.87Å; K72-A107 HydrophobicContact CD-CB 4.4Å; K72-A107 HydrophobicContact CG-CB 4.16Å |
| 73 | E | 96.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 138.3 | 166.2 | -66.3 | -165.1 | 169.9 | 0 | 0 | 109.6 | R71 K106 A107 | R71-E73 IonicContact CZ-OE1 3.03Å; R71-E73 IonicContact NH1-OE1 3.64Å; R71-E73 PolarHBondContact NH1-OE1 3.23Å; R71-E73 IonicContact NH2-OE1 2.98Å; R71-E73 PolarHBondContact O-N 3.44Å; E73-K106 HydrophobicContact CB-CD 3.77Å; E73-K106 WeakPolarHBondContact O-CB 3.33Å; E73-K106 IonicContact OE2-NZ 2.68Å; E73-K106 PolarHBondContact OE2-NZ 3.11Å; E73-A107 WeakPolarHBondContact O-CB 3.3Å; E73-A107 PolarHBondContact O-N 3.05Å |
| 74 | Y | 96.9 | Very high | 96.2 | Very high | 48 Ų | 48 | 91.6 Ų | 91.6 | 19% | 0.188 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 149.5 | 176.5 | -67.4 | -94 | 0 | 0 | 0 | 109.6 | K72 V76 A107 G108 K110 A126 K127 | K72-Y74 HydrophobicContact CB-CE2 4.26Å; Y74-V76 PolarHBondContact O-N 3Å; Y74-A107 WeakPolarHBondContact CE1-O 3.21Å; Y74-G108 CarbonylContact C-O 3.51Å; Y74-G108 WeakPolarHBondContact CA-O 3.42Å; Y74-G108 VanDerWaalsContact CB-O 3.3Å; Y74-G108 WeakPolarHBondContact CB-O 3.37Å; Y74-G108 VanDerWaalsContact CD1-O 3.28Å; Y74-G108 WeakPolarHBondContact CD1-O 3.33Å; Y74-K110 HydrophobicContact CD1-CB 4.49Å; Y74-K110 HydrophobicContact CG-CB 4.15Å; Y74-A126 HydrophobicContact CD1-CB 4.2Å; Y74-A126 HydrophobicContact CE1-CB 3.9Å; Y74-K127 HydrophobicContact CD2-CD 4.41Å; Y74-K127 HydrophobicContact CE1-CD 4.1Å; Y74-K127 HydrophobicContact CE1-CG 4.1Å; Y74-K127 HydrophobicContact CE2-CD 3.85Å; Y74-K127 WeakPolarHBondContact OH-CE 3.29Å; Y74-K127 PolarHBondContact OH-NZ 3.27Å |
| 75 | A | 96.9 | Very high | 96 | Very high | 9 Ų | 9 | 81.4 Ų | 81.4 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 122 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V102 N104 E105 G108 I109 K110 | A75-V102 HydrophobicContact CB-CG1 3.83Å; A75-N104 WeakPolarHBondContact CB-O 3.4Å; A75-E105 PolarHBondContact N-O 3.49Å; A75-G108 PolarHBondContact N-O 3.36Å; A75-I109 HydrophobicContact CB-CG1 4.24Å; A75-I109 CarbonylContact O-C 3.52Å; A75-I109 WeakPolarHBondContact O-CA 3.35Å; A75-K110 PolarHBondContact O-N 3.18Å |
| 76 | V | 96.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.7 | -173.7 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | Y74 K110 L112 | Y74-V76 PolarHBondContact O-N 3Å; V76-K110 WeakPolarHBondContact CA-O 3.46Å; V76-L112 HydrophobicContact CG1-CB 4.5Å; V76-L112 HydrophobicContact CG1-CD1 3.36Å; V76-L112 HydrophobicContact CG1-CG 3.75Å |
| 77 | I | 96.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 79.1 Ų | 79.1 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 155.1 | 168.2 | 65.8 | 171.6 | 0 | 0 | 0 | 109.9 | L82 L96 I101 V102 I109 K110 V111 L112 | I77-L82 HydrophobicContact CD1-CD2 3.93Å; I77-L96 HydrophobicContact CD1-CD1 3.69Å; I77-L96 HydrophobicContact CD1-CD2 4.03Å; I77-I101 HydrophobicContact CG2-CG2 4.06Å; I77-V102 HydrophobicContact CG2-CG2 3.66Å; I77-I109 HydrophobicContact CD1-CG2 4.03Å; I77-I109 HydrophobicContact CG1-CG2 4Å; I77-I109 HydrophobicContact CG2-CG2 4.48Å; I77-K110 PolarHBondContact N-O 3.21Å; I77-K110 VanDerWaalsContact N-O 3.07Å; I77-V111 HydrophobicContact CD1-CG2 4.09Å; I77-V111 HydrophobicContact CG1-CB 4.43Å; I77-V111 HydrophobicContact CG1-CG1 4.42Å; I77-V111 HydrophobicContact CG1-CG2 4Å; I77-L112 PolarHBondContact O-N 3.02Å |
| 78 | N | 97.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 76 Ų | 76 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | trans | -113.5 | 171.2 | 175.9 | -71.6 | -68 | 0 | 0 | 0 | 110.1 | D80 L112 N114 | N78-D80 VanDerWaalsContact CB-OD1 3.25Å; N78-D80 WeakPolarHBondContact CB-OD1 2.88Å; N78-D80 PolarHBondContact O-N 3Å; N78-L112 WeakPolarHBondContact CA-O 3.36Å; N78-L112 VanDerWaalsContact OD1-CB 3.26Å; N78-L112 WeakPolarHBondContact OD1-CB 3.37Å; N78-N114 HydrophobicContact CB-CB 4.16Å; N78-N114 WeakPolarHBondContact CB-O 3.42Å; N78-N114 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 79 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -34.3 | -172.2 | -62.2 | 177.2 | 0 | 0 | 0 | 112.9 | V81 L82 V111 N114 L117 A132 T135 I136 | L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 PolarHBondContact O-N 3.13Å; L79-L82 HydrophobicContact CD2-CD1 4.25Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.41Å; L79-V111 HydrophobicContact CD2-CG1 4.2Å; L79-N114 WeakPolarHBondContact CB-O 3.47Å; L79-N114 PolarHBondContact N-O 2.96Å; L79-L117 HydrophobicContact CB-CB 4.29Å; L79-A132 HydrophobicContact CD2-CB 4.3Å; L79-T135 HydrophobicContact CD1-CG2 3.51Å; L79-I136 HydrophobicContact CD2-CD1 4.16Å; L79-I136 HydrophobicContact CD2-CG1 3.97Å |
| 80 | D | 94.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.5 | -40.2 | 179.6 | 61.5 | -26.4 | 0 | 0 | 0 | 113.5 | N78 L82 N83 | N78-D80 VanDerWaalsContact CB-OD1 3.25Å; N78-D80 WeakPolarHBondContact CB-OD1 2.88Å; N78-D80 PolarHBondContact O-N 3Å; D80-L82 VanDerWaalsContact C-N 3.28Å; D80-L82 PolarHBondContact O-N 3.5Å; D80-N83 WeakPolarHBondContact O-CB 3.17Å; D80-N83 PolarHBondContact O-N 3.2Å; D80-N83 PolarHBondContact O-ND2 2.89Å |
| 81 | V | 94.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.4 | -27.4 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | L79 N83 R84 I101 | L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 PolarHBondContact O-N 3.13Å; V81-N83 PolarHBondContact O-N 2.78Å; V81-R84 WeakPolarHBondContact O-CG 3.48Å; V81-R84 PolarHBondContact O-N 2.82Å; V81-I101 HydrophobicContact CG1-CB 4.22Å; V81-I101 HydrophobicContact CG1-CD1 3.73Å; V81-I101 HydrophobicContact CG1-CG1 3.71Å; V81-I101 HydrophobicContact CG1-CG2 3.47Å; V81-I101 VanDerWaalsContact CG1-CG2 3.47Å |
| 82 | L | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.3 | -22.4 | 179.8 | -60.9 | 179 | 0 | 0 | 0 | 112.4 | I77 L79 D80 R84 F85 V91 L96 V111 L117 L121 V123 | I77-L82 HydrophobicContact CD1-CD2 3.93Å; L79-L82 HydrophobicContact CD2-CD1 4.25Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact C-N 3.28Å; D80-L82 PolarHBondContact O-N 3.5Å; L82-R84 PolarHBondContact O-N 2.7Å; L82-F85 HydrophobicContact CD2-CE2 4.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.2Å; L82-F85 PolarHBondContact O-N 2.85Å; L82-V91 HydrophobicContact CD2-CG1 3.98Å; L82-L96 HydrophobicContact CD2-CD2 4.37Å; L82-V111 HydrophobicContact CD1-CG1 4.43Å; L82-L117 HydrophobicContact CB-CD1 3.83Å; L82-L121 HydrophobicContact CB-CD1 3.8Å; L82-L121 WeakPolarHBondContact O-CD1 3.39Å; L82-V123 HydrophobicContact CD1-CG2 4.18Å |
| 83 | N | 93.7 | Very high | 95 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -8.1 | 175.6 | -64.4 | -46.4 | 0 | 0 | 0 | 114.1 | D80 V81 F85 S116 D118 | D80-N83 WeakPolarHBondContact O-CB 3.17Å; D80-N83 PolarHBondContact O-N 3.2Å; D80-N83 PolarHBondContact O-ND2 2.89Å; V81-N83 PolarHBondContact O-N 2.78Å; N83-F85 VanDerWaalsContact C-N 3.27Å; N83-S116 PolarHBondContact ND2-O 3.07Å; N83-D118 PolarHBondContact OD1-N 3.17Å |
| 84 | R | 93.1 | Very high | 94.9 | Very high | 182 Ų | 182 | 53.8 Ų | 53.8 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.1 | 172.1 | -63.7 | -177.5 | -173.8 | -177 | 3.2 | 113.3 | V81 L82 | V81-R84 WeakPolarHBondContact O-CG 3.48Å; V81-R84 PolarHBondContact O-N 2.82Å; L82-R84 PolarHBondContact O-N 2.7Å |
| 85 | F | 94.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -89.2 | 154.2 | 176.5 | -63.4 | -79 | 0 | 0 | 0 | 110.7 | L82 N83 T89 V91 L96 A99 I101 L121 | L82-F85 HydrophobicContact CD2-CE2 4.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.2Å; L82-F85 PolarHBondContact O-N 2.85Å; N83-F85 VanDerWaalsContact C-N 3.27Å; F85-T89 HydrophobicContact CB-CG2 4.45Å; F85-T89 HydrophobicContact CD1-CG2 4.12Å; F85-V91 HydrophobicContact CB-CG2 4.35Å; F85-V91 HydrophobicContact CD1-CG2 4.47Å; F85-V91 HydrophobicContact CD2-CG1 4.44Å; F85-V91 HydrophobicContact CD2-CG2 3.81Å; F85-V91 HydrophobicContact CE2-CG1 4.01Å; F85-V91 HydrophobicContact CE2-CG2 4.19Å; F85-V91 HydrophobicContact CG-CG2 3.96Å; F85-V91 HydrophobicContact CZ-CG1 4.34Å; F85-L96 HydrophobicContact CE2-CD2 3.87Å; F85-L96 HydrophobicContact CZ-CD2 4.07Å; F85-A99 HydrophobicContact CE1-CB 4.33Å; F85-A99 HydrophobicContact CZ-CB 4.02Å; F85-I101 HydrophobicContact CE2-CD1 3.55Å; F85-I101 HydrophobicContact CZ-CD1 3.71Å; F85-L121 HydrophobicContact CB-CD1 4.31Å; F85-L121 HydrophobicContact CB-CD2 3.9Å |
| 86 | E | 93.3 | Very high | 94.7 | Very high | 126 Ų | 126 | 52 Ų | 52 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 158.5 | 177.2 | -65.9 | -59.4 | 165.3 | 0 | 0 | 112.2 | G88 T89 K119 L121 | E86-G88 PolarHBondContact O-N 2.77Å; E86-T89 VanDerWaalsContact O-CB 3.26Å; E86-T89 WeakPolarHBondContact O-CB 3.29Å; E86-T89 PolarHBondContact O-N 2.95Å; E86-T89 VanDerWaalsContact O-N 3.13Å; E86-T89 PolarHBondContact O-OG1 2.68Å; E86-K119 IonicContact OE2-NZ 2.99Å; E86-K119 PolarHBondContact OE2-NZ 3.06Å; E86-L121 WeakPolarHBondContact O-CD2 3.49Å |
| 87 | D | 93.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 51 Ų | 51 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 132.4 | 178 | -66.3 | -63.2 | 0 | 0 | 0 | 111.4 | K119 K120 | D87-K119 VanDerWaalsContact CG-CD 3.46Å; D87-K119 WeakPolarHBondContact OD1-CA 3.45Å; D87-K119 VanDerWaalsContact OD1-CD 3.23Å; D87-K119 WeakPolarHBondContact OD1-CD 3.28Å; D87-K119 VanDerWaalsContact OD2-CD 3.29Å; D87-K119 WeakPolarHBondContact OD2-CD 3.39Å; D87-K119 IonicContact OD2-NZ 3.84Å; D87-K119 PolarHBondContact OD2-NZ 2.97Å; D87-K120 PolarHBondContact OD1-N 3.43Å |
| 88 | G | 92.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -2.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | E86 K120 | E86-G88 PolarHBondContact O-N 2.77Å; G88-K120 PolarHBondContact N-O 2.91Å |
| 89 | T | 93.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | trans | -70.6 | 137.9 | -179.8 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | F85 E86 V91 T122 | F85-T89 HydrophobicContact CB-CG2 4.45Å; F85-T89 HydrophobicContact CD1-CG2 4.12Å; E86-T89 VanDerWaalsContact O-CB 3.26Å; E86-T89 WeakPolarHBondContact O-CB 3.29Å; E86-T89 PolarHBondContact O-N 2.95Å; E86-T89 VanDerWaalsContact O-N 3.13Å; E86-T89 PolarHBondContact O-OG1 2.68Å; T89-V91 PolarHBondContact O-N 3.09Å; T89-T122 PolarHBondContact O-N 3.23Å | ||
| 90 | E | 95.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 107.1 | 169.2 | -169.8 | -175.7 | 156.8 | 0 | 0 | 110.1 | T92 T122 K124 | E90-T92 HydrophobicContact CG-CG2 3.95Å; E90-T92 PolarHBondContact O-N 3Å; E90-T122 CarbonylContact C-O 3.57Å; E90-T122 WeakPolarHBondContact CA-O 3.21Å; E90-T122 HydrophobicContact CG-CG2 4.3Å; E90-K124 HydrophobicContact CG-CD 4.42Å; E90-K124 WeakPolarHBondContact OE1-CD 3.06Å; E90-K124 WeakPolarHBondContact OE1-CE 3.43Å; E90-K124 IonicContact OE1-NZ 3.86Å; E90-K124 PolarHBondContact OE1-NZ 2.8Å |
| 91 | V | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 100.2 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L82 F85 T89 L96 L121 T122 V123 K124 | L82-V91 HydrophobicContact CD2-CG1 3.98Å; F85-V91 HydrophobicContact CB-CG2 4.35Å; F85-V91 HydrophobicContact CD1-CG2 4.47Å; F85-V91 HydrophobicContact CD2-CG1 4.44Å; F85-V91 HydrophobicContact CD2-CG2 3.81Å; F85-V91 HydrophobicContact CE2-CG1 4.01Å; F85-V91 HydrophobicContact CE2-CG2 4.19Å; F85-V91 HydrophobicContact CG-CG2 3.96Å; F85-V91 HydrophobicContact CZ-CG1 4.34Å; T89-V91 PolarHBondContact O-N 3.09Å; V91-L96 HydrophobicContact CG1-CD1 4.06Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.74Å; V91-L121 HydrophobicContact CG2-CB 4.36Å; V91-L121 HydrophobicContact CG2-CD1 4.14Å; V91-L121 HydrophobicContact CG2-CD2 4.38Å; V91-T122 PolarHBondContact N-O 3.29Å; V91-V123 HydrophobicContact CB-CG2 4.49Å; V91-K124 PolarHBondContact O-N 2.97Å |
| 92 | T | 95.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | trans | -101.5 | 166.2 | 176.2 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | E90 V94 A95 L96 K124 | E90-T92 HydrophobicContact CG-CG2 3.95Å; E90-T92 PolarHBondContact O-N 3Å; T92-V94 PolarHBondContact O-N 3.03Å; T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact OG1-N 3.36Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.32Å; T92-K124 HydrophobicContact CG2-CD 4.31Å; T92-K124 HydrophobicContact CG2-CG 4.48Å | ||
| 93 | P | 94.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.7 | -40.4 | 172.8 | -25.6 | 34.6 | 0 | 0 | 0 | 113.2 | A95 L96 V97 E105 I109 I146 | P93-A95 PolarHBondContact O-N 3.45Å; P93-L96 WeakPolarHBondContact O-CB 3.48Å; P93-L96 PolarHBondContact O-N 3.31Å; P93-V97 WeakPolarHBondContact O-CG2 3.25Å; P93-V97 PolarHBondContact O-N 3.21Å; P93-E105 WeakPolarHBondContact CB-OE1 3.23Å; P93-I109 HydrophobicContact CB-CD1 3.68Å; P93-I109 HydrophobicContact CG-CD1 4.28Å; P93-I146 HydrophobicContact CG-CD1 3.52Å |
| 94 | V | 94.3 | Very high | 94.2 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | T92 L96 V97 E98 | T92-V94 PolarHBondContact O-N 3.03Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 3.04Å; V94-V97 PolarHBondContact O-N 3.19Å; V94-V97 VanDerWaalsContact O-N 3.07Å; V94-E98 HydrophobicContact CG1-CG 4.44Å; V94-E98 WeakPolarHBondContact O-CG 3.15Å; V94-E98 PolarHBondContact O-N 3.18Å |
| 95 | A | 94.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -36.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T92 P93 V97 A99 | T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact OG1-N 3.36Å; P93-A95 PolarHBondContact O-N 3.45Å; A95-V97 VanDerWaalsContact C-N 3.33Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.26Å; A95-A99 PolarHBondContact O-N 2.78Å |
| 96 | L | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.1 | -32.6 | 176 | -70 | 168.1 | 0 | 0 | 0 | 112.6 | I77 L82 F85 V91 T92 P93 V94 I101 V102 I109 | I77-L96 HydrophobicContact CD1-CD1 3.69Å; I77-L96 HydrophobicContact CD1-CD2 4.03Å; L82-L96 HydrophobicContact CD2-CD2 4.37Å; F85-L96 HydrophobicContact CE2-CD2 3.87Å; F85-L96 HydrophobicContact CZ-CD2 4.07Å; V91-L96 HydrophobicContact CG1-CD1 4.06Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.74Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.32Å; P93-L96 WeakPolarHBondContact O-CB 3.48Å; P93-L96 PolarHBondContact O-N 3.31Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 3.04Å; L96-I101 HydrophobicContact CD2-CB 4.24Å; L96-I101 HydrophobicContact CD2-CD1 3.86Å; L96-I101 HydrophobicContact CD2-CG2 4.07Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.25Å; L96-V102 HydrophobicContact CB-CB 4.4Å; L96-V102 HydrophobicContact CB-CG2 4.16Å; L96-V102 PolarHBondContact O-N 3.5Å; L96-I109 HydrophobicContact CB-CD1 4.17Å; L96-I109 HydrophobicContact CD1-CD1 3.51Å; L96-I109 HydrophobicContact CD1-CG2 4.12Å; L96-I109 HydrophobicContact CG-CD1 4.49Å |
| 97 | V | 94.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.6 | -46.3 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | P93 V94 A95 A99 G100 V102 E105 | P93-V97 WeakPolarHBondContact O-CG2 3.25Å; P93-V97 PolarHBondContact O-N 3.21Å; V94-V97 PolarHBondContact O-N 3.19Å; V94-V97 VanDerWaalsContact O-N 3.07Å; A95-V97 VanDerWaalsContact C-N 3.33Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.89Å; V97-G100 WeakPolarHBondContact O-CA 3.26Å; V97-G100 PolarHBondContact O-N 3.46Å; V97-V102 VanDerWaalsContact CA-O 3.29Å; V97-V102 WeakPolarHBondContact CA-O 3.41Å; V97-V102 WeakPolarHBondContact CG2-O 2.82Å; V97-E105 HydrophobicContact CG2-CG 4.06Å; V97-E105 WeakPolarHBondContact CG2-OE1 3.32Å |
| 98 | E | 94.3 | Very high | 94.2 | Very high | 161 Ų | 161 | 61.8 Ų | 61.8 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.2 | -38.7 | 178 | -71.4 | 179.6 | 169.4 | 0 | 0 | 112.3 | V94 G100 | V94-E98 HydrophobicContact CG1-CG 4.44Å; V94-E98 WeakPolarHBondContact O-CG 3.15Å; V94-E98 PolarHBondContact O-N 3.18Å; E98-G100 PolarHBondContact O-N 2.88Å |
| 99 | A | 93.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F85 A95 V97 I101 | F85-A99 HydrophobicContact CE1-CB 4.33Å; F85-A99 HydrophobicContact CZ-CB 4.02Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.26Å; A95-A99 PolarHBondContact O-N 2.78Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.89Å; A99-I101 HydrophobicContact CB-CD1 3.78Å; A99-I101 HydrophobicContact CB-CG1 4.03Å; A99-I101 PolarHBondContact O-N 2.64Å |
| 100 | G | 94.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 14.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V97 E98 | V97-G100 WeakPolarHBondContact O-CA 3.26Å; V97-G100 PolarHBondContact O-N 3.46Å; E98-G100 PolarHBondContact O-N 2.88Å |
| 101 | I | 94.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.179 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -75.5 | -44.7 | 178.6 | -66.7 | 163.3 | 0 | 0 | 0 | 109.8 | I77 V81 F85 L96 A99 | I77-I101 HydrophobicContact CG2-CG2 4.06Å; V81-I101 HydrophobicContact CG1-CB 4.22Å; V81-I101 HydrophobicContact CG1-CD1 3.73Å; V81-I101 HydrophobicContact CG1-CG1 3.71Å; V81-I101 HydrophobicContact CG1-CG2 3.47Å; V81-I101 VanDerWaalsContact CG1-CG2 3.47Å; F85-I101 HydrophobicContact CE2-CD1 3.55Å; F85-I101 HydrophobicContact CZ-CD1 3.71Å; L96-I101 HydrophobicContact CD2-CB 4.24Å; L96-I101 HydrophobicContact CD2-CD1 3.86Å; L96-I101 HydrophobicContact CD2-CG2 4.07Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.25Å; A99-I101 HydrophobicContact CB-CD1 3.78Å; A99-I101 HydrophobicContact CB-CG1 4.03Å; A99-I101 PolarHBondContact O-N 2.64Å |
| 102 | V | 95.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | trans | -116.3 | 122.5 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 109 | A75 I77 L96 V97 E105 I109 | A75-V102 HydrophobicContact CB-CG1 3.83Å; I77-V102 HydrophobicContact CG2-CG2 3.66Å; L96-V102 HydrophobicContact CB-CB 4.4Å; L96-V102 HydrophobicContact CB-CG2 4.16Å; L96-V102 PolarHBondContact O-N 3.5Å; V97-V102 VanDerWaalsContact CA-O 3.29Å; V97-V102 WeakPolarHBondContact CA-O 3.41Å; V97-V102 WeakPolarHBondContact CG2-O 2.82Å; V102-E105 HydrophobicContact CG1-CG 4.24Å; V102-I109 HydrophobicContact CB-CD1 4.46Å; V102-I109 HydrophobicContact CG1-CD1 4.42Å; V102-I109 HydrophobicContact CG2-CD1 4.12Å | ||
| 103 | K | 94 | Very high | 94.9 | Very high | 199 Ų | 199 | 56.6 Ų | 56.6 | 87% | 0.865 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -92.2 | -28.9 | 175.1 | -65.9 | -176.1 | 179.8 | -178 | 0 | 113.4 | ||
| 104 | N | 93.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 61 Ų | 61 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | trans | -142.9 | 115.1 | -178.7 | -178.7 | -9.3 | 0 | 0 | 0 | 108.4 | A75 K106 | A75-N104 WeakPolarHBondContact CB-O 3.4Å; N104-K106 PolarHBondContact O-N 2.88Å; N104-K106 PolarHBondContact OD1-N 3.14Å | ||
| 105 | E | 91.1 | Very high | 95 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | trans | -71.1 | -13.9 | -176.3 | -60.5 | -178.1 | 176.7 | 0 | 0 | 113.1 | A75 P93 V97 V102 A107 G108 I109 | A75-E105 PolarHBondContact N-O 3.49Å; P93-E105 WeakPolarHBondContact CB-OE1 3.23Å; V97-E105 HydrophobicContact CG2-CG 4.06Å; V97-E105 WeakPolarHBondContact CG2-OE1 3.32Å; V102-E105 HydrophobicContact CG1-CG 4.24Å; E105-A107 PolarHBondContact O-N 3.46Å; E105-G108 CarbonylContact O-C 3.22Å; E105-G108 WeakPolarHBondContact O-CA 3.49Å; E105-G108 PolarHBondContact O-N 2.98Å; E105-I109 HydrophobicContact CG-CD1 4.47Å; E105-I109 HydrophobicContact CG-CG1 4.46Å | ||
| 106 | K | 93.9 | Very high | 94.8 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | 53.9 | -119.9 | -174.1 | -53.8 | -173.1 | 176 | -172.6 | 0 | 111.1 | E73 N104 G108 | E73-K106 HydrophobicContact CB-CD 3.77Å; E73-K106 WeakPolarHBondContact O-CB 3.33Å; E73-K106 IonicContact OE2-NZ 2.68Å; E73-K106 PolarHBondContact OE2-NZ 3.11Å; N104-K106 PolarHBondContact O-N 2.88Å; N104-K106 PolarHBondContact OD1-N 3.14Å; K106-G108 VanDerWaalsContact C-N 3.3Å |
| 107 | A | 94 | Very high | 94.8 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 13.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K72 E73 Y74 E105 | K72-A107 HydrophobicContact CB-CB 3.87Å; K72-A107 HydrophobicContact CD-CB 4.4Å; K72-A107 HydrophobicContact CG-CB 4.16Å; E73-A107 WeakPolarHBondContact O-CB 3.3Å; E73-A107 PolarHBondContact O-N 3.05Å; Y74-A107 WeakPolarHBondContact CE1-O 3.21Å; E105-A107 PolarHBondContact O-N 3.46Å |
| 108 | G | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 65 Ų | 65 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | trans | 121.9 | 170.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y74 A75 E105 K106 | Y74-G108 CarbonylContact C-O 3.51Å; Y74-G108 WeakPolarHBondContact CA-O 3.42Å; Y74-G108 VanDerWaalsContact CB-O 3.3Å; Y74-G108 WeakPolarHBondContact CB-O 3.37Å; Y74-G108 VanDerWaalsContact CD1-O 3.28Å; Y74-G108 WeakPolarHBondContact CD1-O 3.33Å; A75-G108 PolarHBondContact N-O 3.36Å; E105-G108 CarbonylContact O-C 3.22Å; E105-G108 WeakPolarHBondContact O-CA 3.49Å; E105-G108 PolarHBondContact O-N 2.98Å; K106-G108 VanDerWaalsContact C-N 3.3Å | ||
| 109 | I | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.7 | -177.8 | -59.5 | 174.6 | 0 | 0 | 0 | 110.2 | A75 I77 P93 L96 V102 E105 A125 A126 K127 | A75-I109 HydrophobicContact CB-CG1 4.24Å; A75-I109 CarbonylContact O-C 3.52Å; A75-I109 WeakPolarHBondContact O-CA 3.35Å; I77-I109 HydrophobicContact CD1-CG2 4.03Å; I77-I109 HydrophobicContact CG1-CG2 4Å; I77-I109 HydrophobicContact CG2-CG2 4.48Å; P93-I109 HydrophobicContact CB-CD1 3.68Å; P93-I109 HydrophobicContact CG-CD1 4.28Å; L96-I109 HydrophobicContact CB-CD1 4.17Å; L96-I109 HydrophobicContact CD1-CD1 3.51Å; L96-I109 HydrophobicContact CD1-CG2 4.12Å; L96-I109 HydrophobicContact CG-CD1 4.49Å; V102-I109 HydrophobicContact CB-CD1 4.46Å; V102-I109 HydrophobicContact CG1-CD1 4.42Å; V102-I109 HydrophobicContact CG2-CD1 4.12Å; E105-I109 HydrophobicContact CG-CD1 4.47Å; E105-I109 HydrophobicContact CG-CG1 4.46Å; I109-A125 HydrophobicContact CB-CB 4.44Å; I109-A125 HydrophobicContact CG2-CB 4.44Å; I109-A126 WeakPolarHBondContact O-CB 3.25Å; I109-A126 PolarHBondContact O-N 2.83Å; I109-K127 PolarHBondContact O-N 3.16Å; I109-K127 VanDerWaalsContact O-N 3.16Å |
| 110 | K | 97.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.2 | 172.5 | -179 | 173.1 | -176.6 | -174 | 0 | 110.4 | Y74 A75 V76 I77 L112 K127 | Y74-K110 HydrophobicContact CD1-CB 4.49Å; Y74-K110 HydrophobicContact CG-CB 4.15Å; A75-K110 PolarHBondContact O-N 3.18Å; V76-K110 WeakPolarHBondContact CA-O 3.46Å; I77-K110 PolarHBondContact N-O 3.21Å; I77-K110 VanDerWaalsContact N-O 3.07Å; K110-L112 HydrophobicContact CD-CD2 4.25Å; K110-L112 HydrophobicContact CG-CD2 4.24Å; K110-K127 CarbonylContact C-O 3.52Å; K110-K127 WeakPolarHBondContact CA-O 3.46Å; K110-K127 HydrophobicContact CB-CB 4.09Å; K110-K127 HydrophobicContact CD-CB 4.1Å; K110-K127 HydrophobicContact CG-CB 3.79Å |
| 111 | V | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.2 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | I77 L79 L82 V123 A125 K127 F128 S129 A132 I136 | I77-V111 HydrophobicContact CD1-CG2 4.09Å; I77-V111 HydrophobicContact CG1-CB 4.43Å; I77-V111 HydrophobicContact CG1-CG1 4.42Å; I77-V111 HydrophobicContact CG1-CG2 4Å; L79-V111 HydrophobicContact CD2-CG1 4.2Å; L82-V111 HydrophobicContact CD1-CG1 4.43Å; V111-V123 HydrophobicContact CG2-CG1 4.1Å; V111-A125 HydrophobicContact CG2-CB 3.75Å; V111-K127 PolarHBondContact N-O 3.27Å; V111-F128 HydrophobicContact CB-CD1 3.64Å; V111-F128 HydrophobicContact CB-CE1 3.87Å; V111-F128 HydrophobicContact CG1-CD1 4.34Å; V111-F128 HydrophobicContact CG2-CD1 3.86Å; V111-F128 HydrophobicContact CG2-CE1 3.56Å; V111-F128 HydrophobicContact CG2-CZ 4.29Å; V111-S129 PolarHBondContact O-N 3.22Å; V111-A132 HydrophobicContact CG1-CB 4.08Å; V111-I136 HydrophobicContact CG1-CD1 4.44Å |
| 112 | L | 97.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | trans | -108.9 | 153.9 | 176 | -63.3 | -174 | 0 | 0 | 0 | 110.8 | V76 I77 N78 K110 N114 | V76-L112 HydrophobicContact CG1-CB 4.5Å; V76-L112 HydrophobicContact CG1-CD1 3.36Å; V76-L112 HydrophobicContact CG1-CG 3.75Å; I77-L112 PolarHBondContact O-N 3.02Å; N78-L112 WeakPolarHBondContact CA-O 3.36Å; N78-L112 VanDerWaalsContact OD1-CB 3.26Å; N78-L112 WeakPolarHBondContact OD1-CB 3.37Å; K110-L112 HydrophobicContact CD-CD2 4.25Å; K110-L112 HydrophobicContact CG-CD2 4.24Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.99Å | ||
| 113 | G | 95.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | trans | -89.8 | 26.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S129 H131 | G113-S129 PolarHBondContact N-OG 3.26Å; G113-H131 PolarHBondContact O-CD2 3.16Å | ||
| 114 | N | 95.9 | Very high | 94.8 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | trans | -81.7 | 141.2 | 174.9 | -165.8 | 21 | 0 | 0 | 0 | 110.2 | N78 L79 L112 | N78-N114 HydrophobicContact CB-CB 4.16Å; N78-N114 WeakPolarHBondContact CB-O 3.42Å; N78-N114 WeakPolarHBondContact OD1-CB 3.43Å; L79-N114 WeakPolarHBondContact CB-O 3.47Å; L79-N114 PolarHBondContact N-O 2.96Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.99Å | ||
| 115 | G | 94.5 | Very high | 95 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 87.8 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 116 | S | 91.9 | Very high | 95.3 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | trans | -102.9 | 150.6 | 175.6 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | N83 | N83-S116 PolarHBondContact ND2-O 3.07Š| ||
| 117 | L | 94 | Very high | 95.4 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | trans | -120.8 | 113.8 | 170.1 | -178.6 | 67.7 | 0 | 0 | 0 | 108.2 | L79 L82 K119 L121 T135 I136 A139 | L79-L117 HydrophobicContact CB-CB 4.29Å; L82-L117 HydrophobicContact CB-CD1 3.83Å; L117-K119 HydrophobicContact CD1-CB 4.35Å; L117-K119 WeakPolarHBondContact CG-O 3.4Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; L117-T135 HydrophobicContact CB-CG2 4.44Å; L117-I136 HydrophobicContact CD2-CB 4.26Å; L117-I136 HydrophobicContact CD2-CG1 3.7Å; L117-A139 HydrophobicContact CD2-CB 4.24Å; L117-A139 HydrophobicContact CG-CB 4.38Å | ||
| 118 | D | 92 | Very high | 95.6 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 68% | 0.684 | 24% | 0.24 | S | C | * | . | trans | -99.6 | -7.3 | -179.9 | -56.4 | -46.4 | 0 | 0 | 0 | 111.9 | N83 | N83-D118 PolarHBondContact OD1-N 3.17Š| ||
| 119 | K | 92.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -103.5 | 143 | -173.2 | -65.7 | -70.5 | -174.2 | 169.3 | 0 | 112.6 | E86 D87 L117 L121 | E86-K119 IonicContact OE2-NZ 2.99Å; E86-K119 PolarHBondContact OE2-NZ 3.06Å; D87-K119 VanDerWaalsContact CG-CD 3.46Å; D87-K119 WeakPolarHBondContact OD1-CA 3.45Å; D87-K119 VanDerWaalsContact OD1-CD 3.23Å; D87-K119 WeakPolarHBondContact OD1-CD 3.28Å; D87-K119 VanDerWaalsContact OD2-CD 3.29Å; D87-K119 WeakPolarHBondContact OD2-CD 3.39Å; D87-K119 IonicContact OD2-NZ 3.84Å; D87-K119 PolarHBondContact OD2-NZ 2.97Å; L117-K119 HydrophobicContact CD1-CB 4.35Å; L117-K119 WeakPolarHBondContact CG-O 3.4Å; K119-L121 HydrophobicContact CB-CD1 4.14Å; K119-L121 HydrophobicContact CB-CD2 4.28Å; K119-L121 HydrophobicContact CB-CG 3.95Å; K119-L121 PolarHBondContact O-N 3.07Å |
| 120 | K | 94.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 52 Ų | 52 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | trans | -84.4 | 101.6 | 172.7 | -72.3 | 177.8 | -177 | -175.5 | 0 | 109.9 | D87 G88 A139 | D87-K120 PolarHBondContact OD1-N 3.43Å; G88-K120 PolarHBondContact N-O 2.91Å; K120-A139 WeakPolarHBondContact CG-O 3.48Å | ||
| 121 | L | 95.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -124.6 | 148.2 | -174.6 | -58.8 | 173.9 | 0 | 0 | 0 | 111.9 | L82 F85 E86 V91 L117 K119 V123 G141 S142 | L82-L121 HydrophobicContact CB-CD1 3.8Å; L82-L121 WeakPolarHBondContact O-CD1 3.39Å; F85-L121 HydrophobicContact CB-CD1 4.31Å; F85-L121 HydrophobicContact CB-CD2 3.9Å; E86-L121 WeakPolarHBondContact O-CD2 3.49Å; V91-L121 HydrophobicContact CG2-CB 4.36Å; V91-L121 HydrophobicContact CG2-CD1 4.14Å; V91-L121 HydrophobicContact CG2-CD2 4.38Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; K119-L121 HydrophobicContact CB-CD1 4.14Å; K119-L121 HydrophobicContact CB-CD2 4.28Å; K119-L121 HydrophobicContact CB-CG 3.95Å; K119-L121 PolarHBondContact O-N 3.07Å; L121-V123 HydrophobicContact CB-CG2 4.08Å; L121-G141 CarbonylContact O-C 3.56Å; L121-G141 WeakPolarHBondContact O-CA 3.16Å; L121-S142 PolarHBondContact O-N 3.11Å; L121-S142 VanDerWaalsContact O-N 3.08Å | ||
| 122 | T | 95.9 | Very high | 95.6 | Very high | 40 Ų | 40 | 54 Ų | 54 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 109.1 | 165.9 | -60.7 | 0 | 0 | 0 | 0 | 107.9 | T89 E90 V91 S142 | T89-T122 PolarHBondContact O-N 3.23Å; E90-T122 CarbonylContact C-O 3.57Å; E90-T122 WeakPolarHBondContact CA-O 3.21Å; E90-T122 HydrophobicContact CG-CG2 4.3Å; V91-T122 PolarHBondContact N-O 3.29Å; T122-S142 CarbonylContact C-O 3.6Å; T122-S142 WeakPolarHBondContact CA-O 3.31Å; T122-S142 WeakPolarHBondContact CG2-OG 3.33Å; T122-S142 PolarHBondContact OG1-OG 2.84Å |
| 123 | V | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.6 | -172.7 | -172 | 0 | 0 | 0 | 0 | 111 | L82 V91 V111 L121 F128 I136 S142 I143 E144 | L82-V123 HydrophobicContact CD1-CG2 4.18Å; V91-V123 HydrophobicContact CB-CG2 4.49Å; V111-V123 HydrophobicContact CG2-CG1 4.1Å; L121-V123 HydrophobicContact CB-CG2 4.08Å; V123-F128 HydrophobicContact CB-CE1 4.08Å; V123-F128 HydrophobicContact CB-CZ 4.28Å; V123-F128 HydrophobicContact CG1-CE1 3.71Å; V123-F128 HydrophobicContact CG1-CZ 3.95Å; V123-F128 WeakPolarHBondContact O-CZ 3.42Å; V123-I136 HydrophobicContact CB-CD1 4.37Å; V123-I136 HydrophobicContact CG2-CD1 4.11Å; V123-I136 HydrophobicContact CG2-CG2 4.45Å; V123-S142 PolarHBondContact N-O 3.26Å; V123-I143 WeakPolarHBondContact O-CA 3.13Å; V123-E144 PolarHBondContact O-N 2.87Å |
| 124 | K | 96.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.6 | 175.6 | -50.4 | -159.5 | 175.6 | 179.9 | 0 | 110.4 | E90 V91 T92 E144 I146 | E90-K124 HydrophobicContact CG-CD 4.42Å; E90-K124 WeakPolarHBondContact OE1-CD 3.06Å; E90-K124 WeakPolarHBondContact OE1-CE 3.43Å; E90-K124 IonicContact OE1-NZ 3.86Å; E90-K124 PolarHBondContact OE1-NZ 2.8Å; V91-K124 PolarHBondContact O-N 2.97Å; T92-K124 HydrophobicContact CG2-CD 4.31Å; T92-K124 HydrophobicContact CG2-CG 4.48Å; K124-E144 WeakPolarHBondContact CA-O 3.45Å; K124-E144 HydrophobicContact CD-CB 4.39Å; K124-E144 WeakPolarHBondContact CD-OE2 3.42Å; K124-E144 WeakPolarHBondContact CE-OE2 3.4Å; K124-E144 HydrophobicContact CG-CB 4.11Å; K124-E144 IonicContact NZ-OE1 3.6Å; K124-E144 IonicContact NZ-OE2 2.8Å; K124-E144 PolarHBondContact NZ-OE2 2.9Å; K124-I146 HydrophobicContact CB-CD1 4.45Å |
| 125 | A | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 161 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I109 V111 K127 F128 E144 V145 I146 | I109-A125 HydrophobicContact CB-CB 4.44Å; I109-A125 HydrophobicContact CG2-CB 4.44Å; V111-A125 HydrophobicContact CG2-CB 3.75Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 2.87Å; A125-F128 HydrophobicContact CB-CE1 4.17Å; A125-F128 HydrophobicContact CB-CE2 3.84Å; A125-F128 HydrophobicContact CB-CZ 3.54Å; A125-E144 PolarHBondContact N-O 3.08Å; A125-E144 VanDerWaalsContact N-O 3.12Å; A125-V145 WeakPolarHBondContact O-CA 3.45Å; A125-I146 PolarHBondContact O-N 3.06Å |
| 126 | A | 96.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.6 | -30 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y74 I109 I146 | Y74-A126 HydrophobicContact CD1-CB 4.2Å; Y74-A126 HydrophobicContact CE1-CB 3.9Å; I109-A126 WeakPolarHBondContact O-CB 3.25Å; I109-A126 PolarHBondContact O-N 2.83Å; A126-I146 WeakPolarHBondContact CA-O 3.46Å |
| 127 | K | 96.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 147.9 | 177 | -70.1 | -167.5 | 171.7 | 174.1 | 0 | 112.2 | Y74 I109 K110 V111 A125 | Y74-K127 HydrophobicContact CD2-CD 4.41Å; Y74-K127 HydrophobicContact CE1-CD 4.1Å; Y74-K127 HydrophobicContact CE1-CG 4.1Å; Y74-K127 HydrophobicContact CE2-CD 3.85Å; Y74-K127 WeakPolarHBondContact OH-CE 3.29Å; Y74-K127 PolarHBondContact OH-NZ 3.27Å; I109-K127 PolarHBondContact O-N 3.16Å; I109-K127 VanDerWaalsContact O-N 3.16Å; K110-K127 CarbonylContact C-O 3.52Å; K110-K127 WeakPolarHBondContact CA-O 3.46Å; K110-K127 HydrophobicContact CB-CB 4.09Å; K110-K127 HydrophobicContact CD-CB 4.1Å; K110-K127 HydrophobicContact CG-CB 3.79Å; V111-K127 PolarHBondContact N-O 3.27Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 2.87Å |
| 128 | F | 97.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147 | 170.1 | -64 | -95 | 0 | 0 | 0 | 110 | V111 V123 A125 I136 I143 V145 | V111-F128 HydrophobicContact CB-CD1 3.64Å; V111-F128 HydrophobicContact CB-CE1 3.87Å; V111-F128 HydrophobicContact CG1-CD1 4.34Å; V111-F128 HydrophobicContact CG2-CD1 3.86Å; V111-F128 HydrophobicContact CG2-CE1 3.56Å; V111-F128 HydrophobicContact CG2-CZ 4.29Å; V123-F128 HydrophobicContact CB-CE1 4.08Å; V123-F128 HydrophobicContact CB-CZ 4.28Å; V123-F128 HydrophobicContact CG1-CE1 3.71Å; V123-F128 HydrophobicContact CG1-CZ 3.95Å; V123-F128 WeakPolarHBondContact O-CZ 3.42Å; A125-F128 HydrophobicContact CB-CE1 4.17Å; A125-F128 HydrophobicContact CB-CE2 3.84Å; A125-F128 HydrophobicContact CB-CZ 3.54Å; F128-I136 HydrophobicContact CD1-CD1 4.26Å; F128-I136 HydrophobicContact CE1-CD1 4.16Å; F128-I143 HydrophobicContact CD1-CG2 4.11Å; F128-I143 HydrophobicContact CD2-CD1 4.22Å; F128-I143 HydrophobicContact CE1-CB 4.2Å; F128-I143 HydrophobicContact CE1-CG2 3.84Å; F128-I143 HydrophobicContact CE2-CB 4.27Å; F128-I143 HydrophobicContact CG-CD1 4.29Å; F128-I143 HydrophobicContact CZ-CB 4.06Å; F128-I143 HydrophobicContact CZ-CG2 4.2Å; F128-V145 HydrophobicContact CD2-CG2 4.06Å; F128-V145 HydrophobicContact CE2-CG2 4.2Å |
| 129 | S | 97.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | trans | -77.3 | 149.3 | 160.1 | 71.4 | 0 | 0 | 0 | 0 | 109.6 | V111 G113 H131 A132 Q133 | V111-S129 PolarHBondContact O-N 3.22Å; G113-S129 PolarHBondContact N-OG 3.26Å; S129-H131 PolarHBondContact O-N 3.12Å; S129-A132 WeakPolarHBondContact O-CB 3.46Å; S129-A132 PolarHBondContact O-N 3.31Å; S129-A132 VanDerWaalsContact OG-CB 3.25Å; S129-A132 WeakPolarHBondContact OG-CB 3.45Å; S129-A132 PolarHBondContact OG-N 3.34Å; S129-Q133 PolarHBondContact O-N 3.03Å | ||
| 130 | K | 96.7 | Very high | 95.7 | Very high | 160 Ų | 160 | 53.1 Ų | 53.1 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -52.1 | -45.8 | 178 | -171.8 | -176.8 | -179.2 | -163.3 | 0 | 112 | A132 Q133 E134 | K130-A132 PolarHBondContact O-N 2.91Å; K130-Q133 PolarHBondContact O-N 3.18Å; K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 3.36Å; K130-E134 VanDerWaalsContact O-N 3.07Å |
| 131 | H | 96.6 | Very high | 95.7 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 179.2 | -170.5 | 47.9 | 0 | 0 | 0 | 113.4 | G113 S129 T135 | G113-H131 PolarHBondContact O-CD2 3.16Å; S129-H131 PolarHBondContact O-N 3.12Å; H131-T135 WeakPolarHBondContact O-CB 3.45Å; H131-T135 PolarHBondContact O-N 3.07Å; H131-T135 PolarHBondContact O-OG1 2.64Å |
| 132 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L79 V111 S129 K130 T135 I136 | L79-A132 HydrophobicContact CD2-CB 4.3Å; V111-A132 HydrophobicContact CG1-CB 4.08Å; S129-A132 WeakPolarHBondContact O-CB 3.46Å; S129-A132 PolarHBondContact O-N 3.31Å; S129-A132 VanDerWaalsContact OG-CB 3.25Å; S129-A132 WeakPolarHBondContact OG-CB 3.45Å; S129-A132 PolarHBondContact OG-N 3.34Å; K130-A132 PolarHBondContact O-N 2.91Å; A132-T135 PolarHBondContact O-N 3.35Å; A132-I136 WeakPolarHBondContact O-CD1 3.22Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.42Å |
| 133 | Q | 95.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 50 Ų | 50 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 177 | 172.7 | 174.2 | 3.3 | 0 | 0 | 111 | S129 K130 T135 I136 E137 I143 | S129-Q133 PolarHBondContact O-N 3.03Å; K130-Q133 PolarHBondContact O-N 3.18Å; Q133-T135 VanDerWaalsContact C-N 3.27Å; Q133-T135 PolarHBondContact O-N 3.18Å; Q133-I136 PolarHBondContact O-N 3.1Å; Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.31Å; Q133-E137 PolarHBondContact NE2-OE1 3.29Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.48Å; Q133-E137 PolarHBondContact O-N 3.22Å; Q133-I143 HydrophobicContact CB-CD1 3.97Å; Q133-I143 VanDerWaalsContact CD-CD1 3.42Å; Q133-I143 HydrophobicContact CG-CD1 3.48Å; Q133-I143 VanDerWaalsContact CG-CD1 3.48Å; Q133-I143 HydrophobicContact CG-CG1 4.22Å |
| 134 | E | 95.5 | Very high | 95.7 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.8 | -40.9 | 178.9 | -70.7 | 167.9 | 178.4 | 0 | 0 | 111.9 | K130 A138 | K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 3.36Å; K130-E134 VanDerWaalsContact O-N 3.07Å; E134-A138 WeakPolarHBondContact O-CB 3.27Å; E134-A138 PolarHBondContact O-N 3.12Å |
| 135 | T | 95 | Very high | 95.6 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72 | -37.5 | -179.2 | -50 | 0 | 0 | 0 | 0 | 112.2 | L79 L117 H131 A132 Q133 A138 A139 | L79-T135 HydrophobicContact CD1-CG2 3.51Å; L117-T135 HydrophobicContact CB-CG2 4.44Å; H131-T135 WeakPolarHBondContact O-CB 3.45Å; H131-T135 PolarHBondContact O-N 3.07Å; H131-T135 PolarHBondContact O-OG1 2.64Å; A132-T135 PolarHBondContact O-N 3.35Å; Q133-T135 VanDerWaalsContact C-N 3.27Å; Q133-T135 PolarHBondContact O-N 3.18Å; T135-A138 PolarHBondContact O-N 3.11Å; T135-A139 PolarHBondContact O-N 3.1Å |
| 136 | I | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 175.8 | -67.8 | 162.5 | 0 | 0 | 0 | 110.6 | L79 V111 L117 V123 F128 A132 Q133 A138 A139 G140 G141 I143 | L79-I136 HydrophobicContact CD2-CD1 4.16Å; L79-I136 HydrophobicContact CD2-CG1 3.97Å; V111-I136 HydrophobicContact CG1-CD1 4.44Å; L117-I136 HydrophobicContact CD2-CB 4.26Å; L117-I136 HydrophobicContact CD2-CG1 3.7Å; V123-I136 HydrophobicContact CB-CD1 4.37Å; V123-I136 HydrophobicContact CG2-CD1 4.11Å; V123-I136 HydrophobicContact CG2-CG2 4.45Å; F128-I136 HydrophobicContact CD1-CD1 4.26Å; F128-I136 HydrophobicContact CE1-CD1 4.16Å; A132-I136 WeakPolarHBondContact O-CD1 3.22Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.42Å; Q133-I136 PolarHBondContact O-N 3.1Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A139 PolarHBondContact O-N 3.5Å; I136-G140 PolarHBondContact O-N 3.17Å; I136-G141 WeakPolarHBondContact O-CA 3.26Å; I136-G141 PolarHBondContact O-N 3.05Å; I136-I143 HydrophobicContact CB-CG2 4.09Å; I136-I143 HydrophobicContact CD1-CG2 3.82Å; I136-I143 HydrophobicContact CG2-CG2 3.76Å |
| 137 | E | 94.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 45% | 0.453 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.8 | -69.7 | 172.3 | -174.3 | 0 | 0 | 111.3 | Q133 A139 G140 | Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.31Å; Q133-E137 PolarHBondContact NE2-OE1 3.29Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.48Å; Q133-E137 PolarHBondContact O-N 3.22Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.46Å; E137-G140 WeakPolarHBondContact O-CA 3.29Å; E137-G140 PolarHBondContact O-N 3.34Å |
| 138 | A | 94.3 | Very high | 95.2 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 72% | 0.719 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.1 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | E134 T135 I136 G140 | E134-A138 WeakPolarHBondContact O-CB 3.27Å; E134-A138 PolarHBondContact O-N 3.12Å; T135-A138 PolarHBondContact O-N 3.11Å; I136-A138 VanDerWaalsContact C-N 3.35Å; A138-G140 PolarHBondContact O-N 3.46Å |
| 139 | A | 93.4 | Very high | 95 | Very high | 26 Ų | 26 | 66 Ų | 66 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 K120 T135 I136 E137 | L117-A139 HydrophobicContact CD2-CB 4.24Å; L117-A139 HydrophobicContact CG-CB 4.38Å; K120-A139 WeakPolarHBondContact CG-O 3.48Å; T135-A139 PolarHBondContact O-N 3.1Å; I136-A139 PolarHBondContact O-N 3.5Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.46Å |
| 140 | G | 93.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 17.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | I136 E137 A138 | I136-G140 PolarHBondContact O-N 3.17Å; E137-G140 WeakPolarHBondContact O-CA 3.29Å; E137-G140 PolarHBondContact O-N 3.34Å; A138-G140 PolarHBondContact O-N 3.46Å |
| 141 | G | 94.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -85.4 | -179.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | L121 I136 | L121-G141 CarbonylContact O-C 3.56Å; L121-G141 WeakPolarHBondContact O-CA 3.16Å; I136-G141 WeakPolarHBondContact O-CA 3.26Å; I136-G141 PolarHBondContact O-N 3.05Å | ||
| 142 | S | 95 | Very high | 94.6 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.6 | 174.6 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | L121 T122 V123 | L121-S142 PolarHBondContact O-N 3.11Å; L121-S142 VanDerWaalsContact O-N 3.08Å; T122-S142 CarbonylContact C-O 3.6Å; T122-S142 WeakPolarHBondContact CA-O 3.31Å; T122-S142 WeakPolarHBondContact CG2-OG 3.33Å; T122-S142 PolarHBondContact OG1-OG 2.84Å; V123-S142 PolarHBondContact N-O 3.26Å |
| 143 | I | 95.8 | Very high | 94.5 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.185 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143 | 176.6 | 62.1 | 153.3 | 0 | 0 | 0 | 110.8 | V123 F128 Q133 I136 | V123-I143 WeakPolarHBondContact O-CA 3.13Å; F128-I143 HydrophobicContact CD1-CG2 4.11Å; F128-I143 HydrophobicContact CD2-CD1 4.22Å; F128-I143 HydrophobicContact CE1-CB 4.2Å; F128-I143 HydrophobicContact CE1-CG2 3.84Å; F128-I143 HydrophobicContact CE2-CB 4.27Å; F128-I143 HydrophobicContact CG-CD1 4.29Å; F128-I143 HydrophobicContact CZ-CB 4.06Å; F128-I143 HydrophobicContact CZ-CG2 4.2Å; Q133-I143 HydrophobicContact CB-CD1 3.97Å; Q133-I143 VanDerWaalsContact CD-CD1 3.42Å; Q133-I143 HydrophobicContact CG-CD1 3.48Å; Q133-I143 VanDerWaalsContact CG-CD1 3.48Å; Q133-I143 HydrophobicContact CG-CG1 4.22Å; I136-I143 HydrophobicContact CB-CG2 4.09Å; I136-I143 HydrophobicContact CD1-CG2 3.82Å; I136-I143 HydrophobicContact CG2-CG2 3.76Å |
| 144 | E | 95.8 | Very high | 94.4 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.1 | 170 | -63.5 | -178.9 | -164.9 | 0 | 0 | 110.1 | V123 K124 A125 | V123-E144 PolarHBondContact O-N 2.87Å; K124-E144 WeakPolarHBondContact CA-O 3.45Å; K124-E144 HydrophobicContact CD-CB 4.39Å; K124-E144 WeakPolarHBondContact CD-OE2 3.42Å; K124-E144 WeakPolarHBondContact CE-OE2 3.4Å; K124-E144 HydrophobicContact CG-CB 4.11Å; K124-E144 IonicContact NZ-OE1 3.6Å; K124-E144 IonicContact NZ-OE2 2.8Å; K124-E144 PolarHBondContact NZ-OE2 2.9Å; A125-E144 PolarHBondContact N-O 3.08Å; A125-E144 VanDerWaalsContact N-O 3.12Å |
| 145 | V | 94.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.8 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | A125 F128 | A125-V145 WeakPolarHBondContact O-CA 3.45Å; F128-V145 HydrophobicContact CD2-CG2 4.06Å; F128-V145 HydrophobicContact CE2-CG2 4.2Å |
| 146 | I | 90 | Very high | 94.2 | Very high | 137 Ų | 137 | 63.3 Ų | 63.3 | 70% | 0.703 | 40% | 0.399 | S | S | * | . | trans | -117.1 | 0 | 179.8 | 56.8 | 171.4 | 0 | 0 | 0 | 112.9 | P93 K124 A125 A126 | P93-I146 HydrophobicContact CG-CD1 3.52Å; K124-I146 HydrophobicContact CB-CD1 4.45Å; A125-I146 PolarHBondContact O-N 3.06Å; A126-I146 WeakPolarHBondContact CA-O 3.46Å |
Retrieved 146 of 146 residues in 59.9 ms
(Link to these results)