| 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 | 37.5 | Very low | 36.5 | Very low | 250 Ų | 250 | 144.6 Ų | 144.6 | 100% | 1.232 | 85% | 0.851 | S | S | * | * | 0 | 91.1 | 0 | -65.1 | -161.3 | -76 | 0 | 0 | 106.5 | |||||
| 2 | G | 32.6 | Very low | 37.7 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | 109.4 | 74.4 | 58.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q4 | G2-Q4 PolarHBondContact O-N 3.48Š| |||
| 3 | A | 37.1 | Very low | 38.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -65.8 | 125.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | Q | 35 | Very low | 39.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -106.2 | 93.4 | 175.5 | -155.7 | 140.9 | 0.4 | 0 | 0 | 109.1 | G2 C6 | G2-Q4 PolarHBondContact O-N 3.48Å; Q4-C6 PolarHBondContact O-N 3.36Å | ||
| 5 | L | 39.2 | Very low | 41.4 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -65 | 112.8 | 163 | -70.8 | 161.4 | 0 | 0 | 0 | 107.9 | F7 | L5-F7 PolarHBondContact O-N 3.32Š| ||
| 6 | C | 31.4 | Very low | 44.1 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -81.1 | 104.2 | 166.9 | -71.7 | 0 | 0 | 0 | 0 | 108.5 | Q4 | Q4-C6 PolarHBondContact O-N 3.36Š| ||
| 7 | F | 35 | Very low | 46.8 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | -62.2 | 144 | 170.9 | -99.9 | -98.1 | 0 | 0 | 0 | 111.4 | L5 | L5-F7 PolarHBondContact O-N 3.32Š| ||
| 8 | E | 45.3 | Very low | 49.4 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -55.5 | 142 | -178.2 | -59.1 | 176.3 | 132.8 | 0 | 0 | 113.8 | ||||
| 9 | A | 32.7 | Very low | 51.9 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -139.4 | 69.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A11 | A9-A11 PolarHBondContact O-N 2.92Š| ||
| 10 | N | 37.2 | Very low | 54.3 | Low | 143 Ų | 143 | 113.7 Ų | 113.7 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | -76.9 | 71.5 | 168.5 | -167.9 | 6.6 | 0 | 0 | 0 | 109.6 | K12 | N10-K12 VanDerWaalsContact C-N 3.27Å; N10-K12 PolarHBondContact O-N 3.03Å | ||
| 11 | A | 38.8 | Very low | 56.3 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 78% | 0.777 | 62% | 0.622 | S | S | * | * | trans | -68.8 | 90.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A9 A13 | A9-A11 PolarHBondContact O-N 2.92Å; A11-A13 PolarHBondContact O-N 2.95Å | ||
| 12 | K | 50.4 | Low | 59.1 | Low | 139 Ų | 139 | 101 Ų | 101 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | trans | -57.1 | 110.2 | -179.3 | -163.5 | 175.1 | -169.8 | 169.8 | 0 | 109.4 | N10 | N10-K12 VanDerWaalsContact C-N 3.27Å; N10-K12 PolarHBondContact O-N 3.03Å | ||
| 13 | A | 45.1 | Very low | 62.1 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -49 | 150.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A11 R15 | A11-A13 PolarHBondContact O-N 2.95Å; A13-R15 PolarHBondContact O-N 3.41Å |
| 14 | P | 53.3 | Low | 65 | Low | 133 Ų | 133 | 99.9 Ų | 99.9 | 86% | 0.864 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 132.6 | 178.6 | -17.2 | 26.4 | 0 | 0 | 0 | 110.3 | E16 | P14-E16 PolarHBondContact O-N 3.32Š|
| 15 | R | 71 | Confident | 67.9 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 39% | 0.389 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 128.3 | -177 | -61.8 | 171.6 | 102.8 | 170.5 | 0.8 | 108.2 | A13 A17 E59 | A13-R15 PolarHBondContact O-N 3.41Å; R15-A17 PolarHBondContact O-N 3.23Å; R15-E59 IonicContact CZ-OE2 3.68Å; R15-E59 IonicContact NE-OE2 2.92Å; R15-E59 IonicContact NH2-OE2 2.89Å; R15-E59 PolarHBondContact NH2-OE2 3.24Å |
| 16 | E | 83.8 | Confident | 70.7 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.4 | 169.3 | -168.3 | -171.1 | 176.5 | 0 | 0 | 109.7 | P14 R19 R53 | P14-E16 PolarHBondContact O-N 3.32Å; E16-R19 IonicContact OE1-CZ 3.58Å; E16-R19 VanDerWaalsContact OE1-CZ 3.24Å; E16-R19 IonicContact OE1-NH1 3.46Å; E16-R19 PolarHBondContact OE1-NH1 3.14Å; E16-R19 IonicContact OE1-NH2 2.71Å; E16-R19 PolarHBondContact OE1-NH2 2.87Å; E16-R53 PolarHBondContact O-NE 3Å; E16-R53 VanDerWaalsContact O-NE 3.14Å; E16-R53 PolarHBondContact O-NH2 3.4Å |
| 17 | A | 90 | Very high | 73.7 | Confident | 27 Ų | 27 | 84.4 Ų | 84.4 | 22% | 0.223 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 139.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | R15 Q52 D172 | R15-A17 PolarHBondContact O-N 3.23Å; A17-Q52 PolarHBondContact O-NE2 2.62Å; A17-D172 HydrophobicContact CB-CB 3.98Å |
| 18 | L | 94.6 | Very high | 76.6 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 137.3 | 179 | -151.4 | 71.7 | 0 | 0 | 0 | 109.9 | R53 V55 V61 L170 | L18-R53 HydrophobicContact CD1-CG 3.81Å; L18-V55 HydrophobicContact CD1-CG2 4.1Å; L18-V55 HydrophobicContact CD2-CG2 4.15Å; L18-V61 HydrophobicContact CD2-CB 4.43Å; L18-V61 HydrophobicContact CD2-CG1 3.78Å; L18-V61 HydrophobicContact CD2-CG2 4.06Å; L18-L170 HydrophobicContact CB-CD2 4.46Å; L18-L170 HydrophobicContact CD2-CD2 3.89Å; L18-L170 HydrophobicContact CG-CD1 4.45Å; L18-L170 HydrophobicContact CG-CD2 4.48Å |
| 19 | R | 96.9 | Very high | 79.1 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | trans | -133.2 | 165.5 | 175.8 | -62.8 | -168.2 | -69 | -76.9 | 4.8 | 108.6 | E16 R34 G35 S51 Q52 | E16-R19 IonicContact OE1-CZ 3.58Å; E16-R19 VanDerWaalsContact OE1-CZ 3.24Å; E16-R19 IonicContact OE1-NH1 3.46Å; E16-R19 PolarHBondContact OE1-NH1 3.14Å; E16-R19 IonicContact OE1-NH2 2.71Å; E16-R19 PolarHBondContact OE1-NH2 2.87Å; R19-R34 WeakPolarHBondContact CD-O 3.43Å; R19-G35 CarbonylContact C-O 3.49Å; R19-G35 WeakPolarHBondContact CA-O 3.06Å; R19-G35 WeakPolarHBondContact CB-O 3.42Å; R19-S51 CarbonylContact O-C 3.59Å; R19-S51 WeakPolarHBondContact O-CA 3.5Å; R19-Q52 HydrophobicContact CB-CG 4.36Å; R19-Q52 PolarHBondContact O-N 3.25Å; R19-Q52 PolarHBondContact O-OE1 2.95Å | ||
| 20 | F | 98.3 | Very high | 82.2 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.6 | 168.7 | -61.8 | -68.7 | 0 | 0 | 0 | 109.8 | A22 L31 G35 C36 A38 V49 F50 M159 I168 L170 | F20-A22 PolarHBondContact O-N 3.22Å; F20-L31 HydrophobicContact CB-CD1 3.79Å; F20-L31 HydrophobicContact CB-CD2 3.77Å; F20-L31 HydrophobicContact CB-CG 4.42Å; F20-L31 HydrophobicContact CD2-CD2 3.95Å; F20-L31 HydrophobicContact CG-CD2 3.98Å; F20-G35 WeakPolarHBondContact CD2-O 3.49Å; F20-G35 PolarHBondContact N-O 3.26Å; F20-C36 VanDerWaalsContact CE2-O 3.22Å; F20-C36 WeakPolarHBondContact CE2-O 3Å; F20-A38 HydrophobicContact CD1-CB 4.42Å; F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.14Å; F20-A38 HydrophobicContact CE2-CB 3.61Å; F20-A38 HydrophobicContact CG-CB 4.31Å; F20-A38 HydrophobicContact CZ-CB 3.76Å; F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.74Å; F20-V49 HydrophobicContact CE1-CB 4.25Å; F20-V49 HydrophobicContact CE1-CG2 3.61Å; F20-F50 CarbonylContact C-O 3.43Å; F20-F50 VanDerWaalsContact CA-O 3.31Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; F20-M159 HydrophobicContact CD1-CE 3.9Å; F20-M159 HydrophobicContact CE1-CE 3.37Å; F20-M159 HydrophobicContact CZ-CE 4.42Å; F20-I168 HydrophobicContact CE1-CD1 4.07Å; F20-I168 HydrophobicContact CZ-CD1 3.89Å; F20-I168 HydrophobicContact CZ-CG1 3.89Å; F20-L170 HydrophobicContact CD1-CD1 3.68Å; F20-L170 HydrophobicContact CD1-CG 4.46Å; F20-L170 HydrophobicContact CD2-CD1 4.06Å; F20-L170 HydrophobicContact CE1-CD1 3.65Å; F20-L170 HydrophobicContact CE1-CG 3.95Å; F20-L170 HydrophobicContact CE2-CB 4.35Å; F20-L170 HydrophobicContact CE2-CD1 4.01Å; F20-L170 HydrophobicContact CE2-CG 4.08Å; F20-L170 HydrophobicContact CG-CD1 3.89Å; F20-L170 HydrophobicContact CZ-CB 4.4Å; F20-L170 HydrophobicContact CZ-CD1 3.8Å; F20-L170 HydrophobicContact CZ-CG 3.71Å |
| 21 | H | 97.8 | Very high | 85.1 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 13% | 0.125 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 129.4 | 172.2 | -169.7 | -89.8 | 0 | 0 | 0 | 109.6 | E23 T24 L31 F50 P85 | H21-E23 PolarHBondContact ND1-N 2.76Å; H21-E23 PolarHBondContact O-N 2.98Å; H21-T24 PolarHBondContact CE1-OG1 3.05Å; H21-T24 WeakPolarHBondContact ND1-CB 3.42Å; H21-T24 PolarHBondContact ND1-N 2.87Å; H21-T24 VanDerWaalsContact ND1-N 3.17Å; H21-T24 PolarHBondContact ND1-OG1 3.3Å; H21-L31 WeakPolarHBondContact O-CD1 3.38Å; H21-F50 HydrophobicContact CB-CB 4.33Å; H21-F50 PolarHBondContact N-O 2.71Å; H21-P85 HydrophobicContact CB-CB 4.05Å |
| 22 | A | 96.4 | Very high | 87.8 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -36.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F20 K25 | F20-A22 PolarHBondContact O-N 3.22Å; A22-K25 PolarHBondContact O-NZ 2.77Å |
| 23 | E | 95.4 | Very high | 89.9 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -60.2 | -170.2 | -64.8 | 178.2 | -176 | 0 | 0 | 111.1 | H21 K25 | H21-E23 PolarHBondContact ND1-N 2.76Å; H21-E23 PolarHBondContact O-N 2.98Å; E23-K25 PolarHBondContact O-N 3.34Å; E23-K25 VanDerWaalsContact O-N 3.1Å; E23-K25 PolarHBondContact O-NZ 3.41Å |
| 24 | T | 96.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 97 | 179.4 | -45.3 | 0 | 0 | 0 | 0 | 113.1 | H21 F50 P85 V88 L93 | H21-T24 PolarHBondContact CE1-OG1 3.05Å; H21-T24 WeakPolarHBondContact ND1-CB 3.42Å; H21-T24 PolarHBondContact ND1-N 2.87Å; H21-T24 VanDerWaalsContact ND1-N 3.17Å; H21-T24 PolarHBondContact ND1-OG1 3.3Å; T24-F50 HydrophobicContact CG2-CD2 3.94Å; T24-F50 HydrophobicContact CG2-CE2 3.88Å; T24-F50 WeakPolarHBondContact O-CD2 3.29Å; T24-P85 WeakPolarHBondContact CB-O 3.5Å; T24-P85 HydrophobicContact CG2-CB 4.26Å; T24-P85 PolarHBondContact OG1-O 2.81Å; T24-V88 HydrophobicContact CG2-CB 3.76Å; T24-V88 HydrophobicContact CG2-CG1 3.84Å; T24-L93 HydrophobicContact CG2-CD1 4.2Å |
| 25 | K | 97.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 159.7 | 177 | 64.5 | -163.4 | 171.6 | -67.4 | 0 | 109.5 | A22 E23 V29 L31 I48 V49 | A22-K25 PolarHBondContact O-NZ 2.77Å; E23-K25 PolarHBondContact O-N 3.34Å; E23-K25 VanDerWaalsContact O-N 3.1Å; E23-K25 PolarHBondContact O-NZ 3.41Å; K25-V29 HydrophobicContact CB-CB 4.18Å; K25-V29 HydrophobicContact CB-CG1 4.33Å; K25-V29 HydrophobicContact CD-CB 4.26Å; K25-V29 HydrophobicContact CD-CG1 4.08Å; K25-V29 HydrophobicContact CG-CB 4.18Å; K25-V29 HydrophobicContact CG-CG1 4.44Å; K25-L31 HydrophobicContact CD-CD1 3.89Å; K25-L31 HydrophobicContact CD-CD2 4.48Å; K25-L31 HydrophobicContact CD-CG 3.83Å; K25-I48 CarbonylContact C-O 3.59Å; K25-I48 VanDerWaalsContact CA-O 3.32Å; K25-I48 WeakPolarHBondContact CA-O 3.37Å; K25-V49 HydrophobicContact CB-CG1 4.25Å |
| 26 | G | 96.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | trans | -62.9 | 153.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q28 V29 D46 I48 | G26-Q28 PolarHBondContact O-N 3.22Å; G26-Q28 VanDerWaalsContact O-N 3.16Å; G26-V29 WeakPolarHBondContact O-CB 3.47Å; G26-V29 PolarHBondContact O-N 3.07Å; G26-D46 CarbonylContact C-O 3.59Å; G26-D46 VanDerWaalsContact C-O 3.26Å; G26-D46 VanDerWaalsContact CA-O 3.25Å; G26-D46 WeakPolarHBondContact CA-O 3.1Å; G26-I48 PolarHBondContact N-O 2.8Å | ||
| 27 | A | 95.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 54.8 Ų | 54.8 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V29 D46 | A27-V29 VanDerWaalsContact C-N 3.35Å; A27-D46 HydrophobicContact CB-CB 4.28Å |
| 28 | Q | 95.9 | Very high | 96.6 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.7 | 177.7 | -66.3 | -62.2 | -31.1 | 0 | 0 | 113.1 | G26 R40 R41 A42 D46 | G26-Q28 PolarHBondContact O-N 3.22Å; G26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-R40 HydrophobicContact CB-CG 3.82Å; Q28-R40 CarbonylContact O-C 3.41Å; Q28-R40 WeakPolarHBondContact O-CA 3.3Å; Q28-R41 PolarHBondContact O-N 3.17Å; Q28-A42 VanDerWaalsContact OE1-N 3.07Å; Q28-D46 HydrophobicContact CB-CB 4.25Å; Q28-D46 HydrophobicContact CG-CB 3.96Å; Q28-D46 PolarHBondContact N-O 3.04Å |
| 29 | V | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.1 | -176.1 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | K25 G26 A27 L31 A38 H39 V49 | K25-V29 HydrophobicContact CB-CB 4.18Å; K25-V29 HydrophobicContact CB-CG1 4.33Å; K25-V29 HydrophobicContact CD-CB 4.26Å; K25-V29 HydrophobicContact CD-CG1 4.08Å; K25-V29 HydrophobicContact CG-CB 4.18Å; K25-V29 HydrophobicContact CG-CG1 4.44Å; G26-V29 WeakPolarHBondContact O-CB 3.47Å; G26-V29 PolarHBondContact O-N 3.07Å; A27-V29 VanDerWaalsContact C-N 3.35Å; V29-L31 HydrophobicContact CG1-CD2 3.8Å; V29-L31 HydrophobicContact CG1-CG 4.44Å; V29-A38 HydrophobicContact CG1-CB 4.13Å; V29-H39 WeakPolarHBondContact CA-O 3.37Å; V29-V49 HydrophobicContact CB-CG1 4.24Å; V29-V49 HydrophobicContact CG1-CG1 3.58Å; V29-V49 HydrophobicContact CG2-CG1 3.85Å |
| 30 | R | 97.6 | Very high | 96.6 | Very high | 124 Ų | 124 | 51.3 Ų | 51.3 | 47% | 0.468 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.7 | 159.8 | -63.1 | -60.4 | 169.5 | 132.9 | -7.4 | 110.5 | H39 R41 | R30-H39 PolarHBondContact N-O 2.99Å; R30-H39 PolarHBondContact O-N 2.73Å; R30-R41 HydrophobicContact CG-CG 3.84Å; R30-R41 VanDerWaalsContact CZ-NH1 3.35Å; R30-R41 VanDerWaalsContact NE-CZ 3.25Å |
| 31 | L | 98.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 151.5 | 173.6 | -55.1 | -179.4 | 0 | 0 | 0 | 109.5 | F20 H21 K25 V29 T37 A38 | F20-L31 HydrophobicContact CB-CD1 3.79Å; F20-L31 HydrophobicContact CB-CD2 3.77Å; F20-L31 HydrophobicContact CB-CG 4.42Å; F20-L31 HydrophobicContact CD2-CD2 3.95Å; F20-L31 HydrophobicContact CG-CD2 3.98Å; H21-L31 WeakPolarHBondContact O-CD1 3.38Å; K25-L31 HydrophobicContact CD-CD1 3.89Å; K25-L31 HydrophobicContact CD-CD2 4.48Å; K25-L31 HydrophobicContact CD-CG 3.83Å; V29-L31 HydrophobicContact CG1-CD2 3.8Å; V29-L31 HydrophobicContact CG1-CG 4.44Å; L31-T37 VanDerWaalsContact CA-O 3.23Å; L31-T37 WeakPolarHBondContact CA-O 3.42Å; L31-A38 HydrophobicContact CD2-CB 3.59Å |
| 32 | D | 96.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | trans | -72.1 | 172 | 166.8 | 77.5 | -41 | 0 | 0 | 0 | 111.3 | R34 G35 C36 T37 | D32-R34 PolarHBondContact O-N 2.94Å; D32-R34 WeakPolarHBondContact OD2-CB 3.31Å; D32-R34 PolarHBondContact OD2-N 2.89Å; D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 WeakPolarHBondContact OD1-CA 3.38Å; D32-G35 PolarHBondContact OD1-N 2.92Å; D32-C36 PolarHBondContact OD1-N 2.82Å; D32-C36 PolarHBondContact OD2-SG 2.73Å; D32-C36 VanDerWaalsContact OD2-SG 3.38Å; D32-T37 PolarHBondContact N-O 3.02Å; D32-T37 PolarHBondContact OD1-N 2.66Å | ||
| 33 | T | 94.5 | Very high | 95 | Very high | 150 Ų | 150 | 57.1 Ų | 57.1 | 92% | 0.92 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28 | -178.5 | 51 | 0 | 0 | 0 | 0 | 113.1 | G35 | T33-G35 VanDerWaalsContact C-N 3.32Š|
| 34 | R | 93.9 | Very high | 94.2 | Very high | 171 Ų | 171 | 53.6 Ų | 53.6 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -6.9 | 177.9 | -59.5 | 168.9 | 61.4 | -152.9 | -2.6 | 112.3 | R19 D32 C36 | R19-R34 WeakPolarHBondContact CD-O 3.43Å; D32-R34 PolarHBondContact O-N 2.94Å; D32-R34 WeakPolarHBondContact OD2-CB 3.31Å; D32-R34 PolarHBondContact OD2-N 2.89Å; R34-C36 PolarHBondContact O-N 3.3Å |
| 35 | G | 96.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 61.3 | 20.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R19 F20 D32 T33 | R19-G35 CarbonylContact C-O 3.49Å; R19-G35 WeakPolarHBondContact CA-O 3.06Å; R19-G35 WeakPolarHBondContact CB-O 3.42Å; F20-G35 WeakPolarHBondContact CD2-O 3.49Å; F20-G35 PolarHBondContact N-O 3.26Å; D32-G35 PolarHBondContact O-N 3.44Å; D32-G35 WeakPolarHBondContact OD1-CA 3.38Å; D32-G35 PolarHBondContact OD1-N 2.92Å; T33-G35 VanDerWaalsContact C-N 3.32Å |
| 36 | C | 96.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | trans | -101.7 | -11.1 | 178 | 60 | 0 | 0 | 0 | 0 | 112.9 | F20 D32 R34 E169 L170 | F20-C36 VanDerWaalsContact CE2-O 3.22Å; F20-C36 WeakPolarHBondContact CE2-O 3Å; D32-C36 PolarHBondContact OD1-N 2.82Å; D32-C36 PolarHBondContact OD2-SG 2.73Å; D32-C36 VanDerWaalsContact OD2-SG 3.38Å; R34-C36 PolarHBondContact O-N 3.3Å; C36-E169 CarbonylContact O-C 3.55Å; C36-E169 VanDerWaalsContact O-CA 3.22Å; C36-E169 WeakPolarHBondContact O-CA 3.5Å; C36-L170 PolarHBondContact O-N 3.19Å | ||
| 37 | T | 98.2 | Very high | 93.3 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.2 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | L31 D32 L66 T167 I168 | L31-T37 VanDerWaalsContact CA-O 3.23Å; L31-T37 WeakPolarHBondContact CA-O 3.42Å; D32-T37 PolarHBondContact N-O 3.02Å; D32-T37 PolarHBondContact OD1-N 2.66Å; T37-L66 HydrophobicContact CG2-CD1 3.98Å; T37-T167 HydrophobicContact CG2-CG2 3.61Å; T37-I168 WeakPolarHBondContact CA-O 2.98Å |
| 38 | A | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F20 V29 L31 V49 V161 T167 I168 | F20-A38 HydrophobicContact CD1-CB 4.42Å; F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.14Å; F20-A38 HydrophobicContact CE2-CB 3.61Å; F20-A38 HydrophobicContact CG-CB 4.31Å; F20-A38 HydrophobicContact CZ-CB 3.76Å; V29-A38 HydrophobicContact CG1-CB 4.13Å; L31-A38 HydrophobicContact CD2-CB 3.59Å; A38-V49 HydrophobicContact CB-CG1 4.08Å; A38-V161 HydrophobicContact CB-CG2 4.43Å; A38-T167 WeakPolarHBondContact O-CA 3.48Å; A38-T167 WeakPolarHBondContact O-CG2 3.19Å; A38-I168 HydrophobicContact CB-CG1 4.13Å; A38-I168 PolarHBondContact N-O 2.85Å; A38-I168 PolarHBondContact O-N 2.77Å |
| 39 | H | 97 | Very high | 93.6 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.269 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.7 | 180 | 159.6 | -91.3 | 0 | 0 | 0 | 110.2 | V29 R30 K166 T167 | V29-H39 WeakPolarHBondContact CA-O 3.37Å; R30-H39 PolarHBondContact N-O 2.99Å; R30-H39 PolarHBondContact O-N 2.73Å; H39-K166 WeakPolarHBondContact CA-O 3.33Å; H39-T167 HydrophobicContact CB-CG2 4.17Å; H39-T167 PolarHBondContact CD2-OG1 2.92Å |
| 40 | R | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.7 | 172.5 | -176.5 | 176 | 54.8 | 75.1 | -9.4 | 109.5 | Q28 A42 T43 E69 V161 G163 K166 | Q28-R40 HydrophobicContact CB-CG 3.82Å; Q28-R40 CarbonylContact O-C 3.41Å; Q28-R40 WeakPolarHBondContact O-CA 3.3Å; R40-A42 WeakPolarHBondContact CG-O 3.48Å; R40-A42 PolarHBondContact NH1-O 2.84Å; R40-T43 PolarHBondContact NH1-O 3.02Å; R40-E69 IonicContact NH1-OE2 3.75Å; R40-E69 IonicContact NH2-OE2 3.43Å; R40-E69 PolarHBondContact NH2-OE2 3.35Å; R40-V161 HydrophobicContact CB-CB 4.28Å; R40-V161 HydrophobicContact CB-CG1 3.79Å; R40-V161 WeakPolarHBondContact CD-O 3.34Å; R40-V161 PolarHBondContact NE-O 2.96Å; R40-G163 PolarHBondContact NH2-O 2.96Å; R40-K166 PolarHBondContact N-O 3.31Å; R40-K166 VanDerWaalsContact O-CD 3.26Å; R40-K166 WeakPolarHBondContact O-CD 3.29Å; R40-K166 WeakPolarHBondContact O-CE 3.2Å; R40-K166 PolarHBondContact O-NZ 2.9Å |
| 41 | R | 93.3 | Very high | 93.7 | Very high | 134 Ų | 134 | 43.1 Ų | 43.1 | 51% | 0.506 | 22% | 0.218 | S | C | . | . | trans | -67.3 | -59.2 | -176 | -77 | -170.8 | 162.7 | -170.4 | 4.2 | 113.2 | Q28 R30 K166 | Q28-R41 PolarHBondContact O-N 3.17Å; R30-R41 HydrophobicContact CG-CG 3.84Å; R30-R41 VanDerWaalsContact CZ-NH1 3.35Å; R30-R41 VanDerWaalsContact NE-CZ 3.25Å; R41-K166 PolarHBondContact O-NZ 3.38Å; R41-K166 VanDerWaalsContact O-NZ 3.12Å | ||
| 42 | A | 83.3 | Confident | 93.6 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 35% | 0.347 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -136.4 | -178.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q28 R40 | Q28-A42 VanDerWaalsContact OE1-N 3.07Å; R40-A42 WeakPolarHBondContact CG-O 3.48Å; R40-A42 PolarHBondContact NH1-O 2.84Å |
| 43 | T | 82.1 | Confident | 93.6 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 61.6 | -142.1 | 173.7 | 78.2 | 0 | 0 | 0 | 0 | 114.2 | R40 H45 W72 | R40-T43 PolarHBondContact NH1-O 3.02Å; T43-H45 PolarHBondContact OG1-N 3.13Å; T43-W72 VanDerWaalsContact O-CZ2 3.26Å; T43-W72 WeakPolarHBondContact O-CZ2 3.08Å; T43-W72 PolarHBondContact O-NE1 2.88Å |
| 44 | F | 77.8 | Confident | 93.7 | Very high | 75 Ų | 75 | 38 Ų | 38 | 33% | 0.329 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -143.4 | 3.5 | 174.5 | 60.5 | -86.5 | 0 | 0 | 0 | 112.3 | W72 F96 Y162 | F44-W72 HydrophobicContact CB-CD2 3.84Å; F44-W72 HydrophobicContact CB-CE3 3.66Å; F44-W72 HydrophobicContact CB-CG 4.42Å; F44-W72 HydrophobicContact CB-CH2 4.37Å; F44-W72 HydrophobicContact CB-CZ3 3.96Å; F44-W72 AromaticContact CD1-CE3 3.8Å; F44-W72 HydrophobicContact CD1-CE3 3.8Å; F44-W72 AromaticContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CZ2 4.44Å; F44-W72 AromaticContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.96Å; F44-W72 HydrophobicContact CE1-CZ3 3.96Å; F44-W72 AromaticContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CH2 4.42Å; F44-W72 AromaticContact CG-CZ3 3.86Å; F44-W72 HydrophobicContact CG-CZ3 3.86Å; F44-F96 HydrophobicContact CD2-CE1 4.22Å; F44-F96 HydrophobicContact CD2-CZ 4.29Å; F44-F96 HydrophobicContact CE2-CE1 4.25Å; F44-F96 AromaticContact CE2-CZ 3.85Å; F44-F96 HydrophobicContact CE2-CZ 3.85Å; F44-Y162 HydrophobicContact CD2-CE2 4.07Å; F44-Y162 WeakPolarHBondContact O-CD2 3.46Å; F44-Y162 WeakPolarHBondContact O-CE2 3.45Å |
| 45 | H | 85.3 | Confident | 93.8 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 24% | 0.236 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -132.5 | -178.1 | -173.6 | 64.5 | 86 | 0 | 0 | 0 | 110.9 | T43 G47 P95 F96 | T43-H45 PolarHBondContact OG1-N 3.13Å; H45-G47 PolarHBondContact O-N 2.9Å; H45-P95 HydrophobicContact CB-CB 4.04Å; H45-F96 HydrophobicContact CB-CD1 4.05Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.52Å |
| 46 | D | 91.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | trans | 56.5 | 36.8 | -174 | -46 | -33.7 | 0 | 0 | 0 | 112.3 | G26 A27 Q28 P95 | G26-D46 CarbonylContact C-O 3.59Å; G26-D46 VanDerWaalsContact C-O 3.26Å; G26-D46 VanDerWaalsContact CA-O 3.25Å; G26-D46 WeakPolarHBondContact CA-O 3.1Å; A27-D46 HydrophobicContact CB-CB 4.28Å; Q28-D46 HydrophobicContact CB-CB 4.25Å; Q28-D46 HydrophobicContact CG-CB 3.96Å; Q28-D46 PolarHBondContact N-O 3.04Å; D46-P95 PolarHBondContact N-O 3.16Å; D46-P95 VanDerWaalsContact OD1-CA 3.28Å; D46-P95 WeakPolarHBondContact OD1-CA 3.14Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 47 | G | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -96.2 | 7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H45 V161 | H45-G47 PolarHBondContact O-N 2.9Å; G47-V161 PolarHBondContact O-N 3.26Å | ||
| 48 | I | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 133.1 | -171 | -50.1 | -169.2 | 0 | 0 | 0 | 111.3 | K25 G26 F50 P94 V97 L101 V158 M159 | K25-I48 CarbonylContact C-O 3.59Å; K25-I48 VanDerWaalsContact CA-O 3.32Å; K25-I48 WeakPolarHBondContact CA-O 3.37Å; G26-I48 PolarHBondContact N-O 2.8Å; I48-F50 HydrophobicContact CG2-CD2 4.47Å; I48-F50 HydrophobicContact CG2-CE1 4.41Å; I48-F50 HydrophobicContact CG2-CE2 3.66Å; I48-F50 HydrophobicContact CG2-CZ 3.63Å; I48-P94 HydrophobicContact CD1-CG 4.31Å; I48-P94 WeakPolarHBondContact CD1-O 3.28Å; I48-V97 HydrophobicContact CB-CG2 4.27Å; I48-V97 HydrophobicContact CD1-CG2 3.88Å; I48-V97 HydrophobicContact CG1-CG2 3.8Å; I48-V97 HydrophobicContact CG2-CG2 3.8Å; I48-L101 HydrophobicContact CD1-CD2 4.31Å; I48-L101 HydrophobicContact CG2-CD2 4.31Å; I48-V158 HydrophobicContact CG2-CG2 3.97Å; I48-M159 CarbonylContact C-O 3.59Å; I48-M159 WeakPolarHBondContact CA-O 3.47Å |
| 49 | V | 98.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.8 | 173.3 | -64.8 | 0 | 0 | 0 | 0 | 111 | F20 K25 V29 A38 V158 M159 I168 | F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.74Å; F20-V49 HydrophobicContact CE1-CB 4.25Å; F20-V49 HydrophobicContact CE1-CG2 3.61Å; K25-V49 HydrophobicContact CB-CG1 4.25Å; V29-V49 HydrophobicContact CB-CG1 4.24Å; V29-V49 HydrophobicContact CG1-CG1 3.58Å; V29-V49 HydrophobicContact CG2-CG1 3.85Å; A38-V49 HydrophobicContact CB-CG1 4.08Å; V49-V158 WeakPolarHBondContact O-CA 3.31Å; V49-M159 HydrophobicContact CG2-CB 3.78Å; V49-M159 HydrophobicContact CG2-CE 4.14Å; V49-M159 PolarHBondContact N-O 3.1Å; V49-M159 PolarHBondContact O-N 3.09Å; V49-I168 HydrophobicContact CG2-CD1 4.42Å |
| 50 | F | 98.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.1 | 179.5 | -56.4 | -91.3 | 0 | 0 | 0 | 111 | F20 H21 T24 I48 T81 P85 L93 L101 A157 V158 | F20-F50 CarbonylContact C-O 3.43Å; F20-F50 VanDerWaalsContact CA-O 3.31Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; H21-F50 HydrophobicContact CB-CB 4.33Å; H21-F50 PolarHBondContact N-O 2.71Å; T24-F50 HydrophobicContact CG2-CD2 3.94Å; T24-F50 HydrophobicContact CG2-CE2 3.88Å; T24-F50 WeakPolarHBondContact O-CD2 3.29Å; I48-F50 HydrophobicContact CG2-CD2 4.47Å; I48-F50 HydrophobicContact CG2-CE1 4.41Å; I48-F50 HydrophobicContact CG2-CE2 3.66Å; I48-F50 HydrophobicContact CG2-CZ 3.63Å; F50-T81 HydrophobicContact CD1-CG2 3.85Å; F50-T81 HydrophobicContact CE1-CG2 3.89Å; F50-P85 HydrophobicContact CB-CB 3.93Å; F50-P85 HydrophobicContact CB-CG 3.44Å; F50-P85 VanDerWaalsContact CB-CG 3.44Å; F50-P85 HydrophobicContact CD1-CG 4.19Å; F50-P85 HydrophobicContact CD2-CB 4.49Å; F50-P85 HydrophobicContact CG-CB 4.19Å; F50-P85 HydrophobicContact CG-CG 3.85Å; F50-L93 HydrophobicContact CE2-CD1 4.28Å; F50-L93 HydrophobicContact CE2-CD2 3.8Å; F50-L93 HydrophobicContact CZ-CD2 3.82Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; F50-A157 CarbonylContact C-O 3.58Å; F50-A157 VanDerWaalsContact CA-O 3.26Å; F50-A157 WeakPolarHBondContact CA-O 3.42Å; F50-V158 HydrophobicContact CD1-CB 3.93Å; F50-V158 HydrophobicContact CD1-CG2 3.81Å; F50-V158 HydrophobicContact CE1-CB 4.02Å; F50-V158 HydrophobicContact CE1-CG2 3.53Å; F50-V158 HydrophobicContact CZ-CG2 4.15Å |
| 51 | S | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 149.1 | 165.9 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | R19 R53 A157 | R19-S51 CarbonylContact O-C 3.59Å; R19-S51 WeakPolarHBondContact O-CA 3.5Å; S51-R53 PolarHBondContact O-N 3.45Å; S51-R53 PolarHBondContact OG-O 2.96Å; S51-A157 PolarHBondContact N-O 3.35Å; S51-A157 PolarHBondContact OG-N 2.86Å |
| 52 | Q | 97.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -71.8 | -17.4 | -179.6 | 94.3 | -77.4 | 27.8 | 0 | 0 | 113.7 | A17 R19 | A17-Q52 PolarHBondContact O-NE2 2.62Å; R19-Q52 HydrophobicContact CB-CG 4.36Å; R19-Q52 PolarHBondContact O-N 3.25Å; R19-Q52 PolarHBondContact O-OE1 2.95Å |
| 53 | R | 96.1 | Very high | 93.8 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -138.7 | 164.9 | 179.7 | 64.9 | 163.7 | 178.8 | 74.6 | 0.6 | 111.5 | E16 L18 S51 E59 W156 | E16-R53 PolarHBondContact O-NE 3Å; E16-R53 VanDerWaalsContact O-NE 3.14Å; E16-R53 PolarHBondContact O-NH2 3.4Å; L18-R53 HydrophobicContact CD1-CG 3.81Å; S51-R53 PolarHBondContact O-N 3.45Å; S51-R53 PolarHBondContact OG-O 2.96Å; R53-E59 IonicContact CZ-OE1 3.81Å; R53-E59 IonicContact NH1-OE1 3.27Å; R53-E59 PolarHBondContact NH1-OE1 3.1Å; R53-E59 IonicContact NH1-OE2 3.85Å; R53-E59 IonicContact NH2-OE1 3.8Å; R53-E59 PolarHBondContact NH2-OE1 2.98Å; R53-W156 VanDerWaalsContact C-CD1 3.4Å |
| 54 | P | 97.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -57.2 | 144.2 | 167.5 | -23.3 | 31.4 | 0 | 0 | 0 | 112.7 | P154 L155 W156 | P54-P154 HydrophobicContact CB-CB 4.04Å; P54-P154 HydrophobicContact CG-CB 4.09Å; P54-L155 CarbonylContact C-O 3.53Å; P54-L155 VanDerWaalsContact CA-O 3.3Å; P54-L155 WeakPolarHBondContact CA-O 3.48Å; P54-W156 HydrophobicContact CG-CD2 4.26Å; P54-W156 HydrophobicContact CG-CH2 4.01Å; P54-W156 HydrophobicContact CG-CZ2 3.53Å |
| 55 | V | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -101.3 | 129.4 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | L18 E59 V61 F80 L155 A157 | L18-V55 HydrophobicContact CD1-CG2 4.1Å; L18-V55 HydrophobicContact CD2-CG2 4.15Å; V55-E59 HydrophobicContact CG1-CB 3.74Å; V55-E59 HydrophobicContact CG1-CG 4.01Å; V55-V61 HydrophobicContact CG1-CG2 3.93Å; V55-V61 HydrophobicContact CG2-CG2 4.08Å; V55-F80 HydrophobicContact CB-CE1 3.94Å; V55-F80 HydrophobicContact CG1-CE1 3.9Å; V55-F80 HydrophobicContact CG2-CE1 4.37Å; V55-L155 PolarHBondContact N-O 3.17Å; V55-A157 HydrophobicContact CG2-CB 4Å |
| 56 | R | 93.1 | Very high | 95.9 | Very high | 120 Ų | 120 | 36.3 Ų | 36.3 | 45% | 0.453 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 152 | 179.4 | -60.9 | -174.9 | -179.1 | 86.2 | -8 | 110.6 | G58 E59 | R56-G58 PolarHBondContact O-N 3.05Å; R56-E59 HydrophobicContact CB-CB 4.2Å; R56-E59 WeakPolarHBondContact CB-OE2 3.21Å; R56-E59 PolarHBondContact N-OE2 3.23Å; R56-E59 IonicContact NH1-OE2 2.73Å; R56-E59 WeakPolarHBondContact O-CB 3.31Å; R56-E59 PolarHBondContact O-N 3.16Å |
| 57 | L | 92.3 | Very high | 96 | Very high | 81 Ų | 81 | 41.9 Ų | 41.9 | 42% | 0.424 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.8 | 171.4 | -64.6 | 174 | 0 | 0 | 0 | 110.9 | E59 V127 V151 L155 | L57-E59 PolarHBondContact O-N 2.78Å; L57-V127 HydrophobicContact CD2-CG1 4.1Å; L57-V151 HydrophobicContact CD1-CB 3.98Å; L57-V151 HydrophobicContact CD1-CG1 4.27Å; L57-V151 HydrophobicContact CD2-CB 4.15Å; L57-V151 HydrophobicContact CD2-CG1 3.69Å; L57-L155 HydrophobicContact CD2-CD1 4.36Å |
| 58 | G | 90.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 45 Ų | 45 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -3.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R56 R60 V127 | R56-G58 PolarHBondContact O-N 3.05Å; G58-R60 PolarHBondContact O-N 2.79Å; G58-V127 WeakPolarHBondContact CA-O 3.25Å; G58-V127 PolarHBondContact N-O 3.38Å |
| 59 | E | 93.8 | Very high | 95 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 127.6 | 169.8 | -174.4 | 175.1 | 152.3 | 0 | 0 | 109.2 | R15 R53 V55 R56 L57 W126 | R15-E59 IonicContact CZ-OE2 3.68Å; R15-E59 IonicContact NE-OE2 2.92Å; R15-E59 IonicContact NH2-OE2 2.89Å; R15-E59 PolarHBondContact NH2-OE2 3.24Å; R53-E59 IonicContact CZ-OE1 3.81Å; R53-E59 IonicContact NH1-OE1 3.27Å; R53-E59 PolarHBondContact NH1-OE1 3.1Å; R53-E59 IonicContact NH1-OE2 3.85Å; R53-E59 IonicContact NH2-OE1 3.8Å; R53-E59 PolarHBondContact NH2-OE1 2.98Å; V55-E59 HydrophobicContact CG1-CB 3.74Å; V55-E59 HydrophobicContact CG1-CG 4.01Å; R56-E59 HydrophobicContact CB-CB 4.2Å; R56-E59 WeakPolarHBondContact CB-OE2 3.21Å; R56-E59 PolarHBondContact N-OE2 3.23Å; R56-E59 IonicContact NH1-OE2 2.73Å; R56-E59 WeakPolarHBondContact O-CB 3.31Å; R56-E59 PolarHBondContact O-N 3.16Å; L57-E59 PolarHBondContact O-N 2.78Å; E59-W126 WeakPolarHBondContact O-CB 3.39Å |
| 60 | R | 95.2 | Very high | 94 | Very high | 143 Ų | 143 | 53.6 Ų | 53.6 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 118.1 | 179 | -63 | -176.6 | -176.2 | 169.9 | 2 | 109 | G58 V62 W126 | G58-R60 PolarHBondContact O-N 2.79Å; R60-V62 HydrophobicContact CB-CG2 4.35Å; R60-W126 HydrophobicContact CG-CB 4.43Å; R60-W126 HydrophobicContact CG-CD2 4.42Å; R60-W126 HydrophobicContact CG-CE3 4.21Å |
| 61 | V | 97.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.9 | 164.9 | -174.7 | 0 | 0 | 0 | 0 | 106.9 | L18 V55 F80 R124 F125 A157 L170 | L18-V61 HydrophobicContact CD2-CB 4.43Å; L18-V61 HydrophobicContact CD2-CG1 3.78Å; L18-V61 HydrophobicContact CD2-CG2 4.06Å; V55-V61 HydrophobicContact CG1-CG2 3.93Å; V55-V61 HydrophobicContact CG2-CG2 4.08Å; V61-F80 HydrophobicContact CG2-CE1 4.27Å; V61-F80 HydrophobicContact CG2-CZ 4.18Å; V61-R124 VanDerWaalsContact O-CA 3.28Å; V61-R124 WeakPolarHBondContact O-CA 3.49Å; V61-F125 HydrophobicContact CB-CD1 3.97Å; V61-F125 HydrophobicContact CB-CD2 4.35Å; V61-F125 HydrophobicContact CB-CE1 3.48Å; V61-F125 VanDerWaalsContact CB-CE1 3.48Å; V61-F125 HydrophobicContact CB-CE2 3.91Å; V61-F125 HydrophobicContact CB-CG 4.37Å; V61-F125 HydrophobicContact CB-CZ 3.46Å; V61-F125 VanDerWaalsContact CB-CZ 3.46Å; V61-F125 HydrophobicContact CG1-CD1 4.28Å; V61-F125 HydrophobicContact CG1-CE1 3.37Å; V61-F125 HydrophobicContact CG1-CE2 4.31Å; V61-F125 HydrophobicContact CG1-CZ 3.4Å; V61-F125 HydrophobicContact CG2-CE1 4.39Å; V61-F125 HydrophobicContact CG2-CE2 3.96Å; V61-F125 HydrophobicContact CG2-CZ 3.88Å; V61-F125 PolarHBondContact N-O 2.86Å; V61-F125 PolarHBondContact O-N 2.76Å; V61-A157 HydrophobicContact CG1-CB 4.36Å; V61-A157 HydrophobicContact CG2-CB 3.88Å; V61-L170 HydrophobicContact CG1-CD2 3.64Å |
| 62 | V | 97.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.4 | -173.1 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | R60 V122 V123 R124 L171 P173 | R60-V62 HydrophobicContact CB-CG2 4.35Å; V62-V122 HydrophobicContact CG1-CG1 3.43Å; V62-V122 VanDerWaalsContact CG1-CG1 3.43Å; V62-V123 CarbonylContact C-O 3.6Å; V62-V123 WeakPolarHBondContact CA-O 3.09Å; V62-R124 HydrophobicContact CB-CG 4.43Å; V62-R124 HydrophobicContact CG1-CG 4.02Å; V62-R124 HydrophobicContact CG2-CG 4.08Å; V62-L171 HydrophobicContact CB-CB 4.16Å; V62-L171 HydrophobicContact CG1-CB 3.94Å; V62-L171 HydrophobicContact CG1-CD1 3.96Å; V62-L171 HydrophobicContact CG1-CG 4.34Å; V62-L171 PolarHBondContact O-N 3.16Å; V62-P173 HydrophobicContact CG2-CG 4.18Å |
| 63 | L | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.4 | 179.4 | -58.8 | 173.2 | 0 | 0 | 0 | 110.2 | L76 V78 V122 V123 F125 M159 I168 E169 L170 | L63-L76 HydrophobicContact CD1-CD2 4Å; L63-V78 HydrophobicContact CD1-CG1 4.16Å; L63-V122 CarbonylContact O-C 3.44Å; L63-V122 VanDerWaalsContact O-CA 3.22Å; L63-V122 WeakPolarHBondContact O-CA 3.38Å; L63-V123 HydrophobicContact CB-CB 4.39Å; L63-V123 PolarHBondContact N-O 2.8Å; L63-V123 PolarHBondContact O-N 2.75Å; L63-F125 HydrophobicContact CD1-CD1 4.3Å; L63-F125 HydrophobicContact CD1-CE1 3.68Å; L63-F125 HydrophobicContact CG-CE1 4.1Å; L63-M159 HydrophobicContact CD1-CG 3.92Å; L63-M159 HydrophobicContact CD2-CE 4.3Å; L63-I168 HydrophobicContact CD1-CD1 4.45Å; L63-I168 HydrophobicContact CD2-CD1 4.38Å; L63-E169 CarbonylContact C-O 3.53Å; L63-E169 WeakPolarHBondContact CA-O 3.4Å; L63-L170 HydrophobicContact CD2-CD2 3.47Å; L63-L170 VanDerWaalsContact CD2-CD2 3.47Å; L63-L170 HydrophobicContact CD2-CG 3.75Å |
| 64 | R | 97.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 64 Ų | 64 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.7 | 162.9 | -177.8 | -179.1 | -76.1 | 159.3 | -7.5 | 109.6 | L66 D121 I168 E169 L171 | R64-L66 HydrophobicContact CB-CD2 4.48Å; R64-L66 HydrophobicContact CG-CD2 3.87Å; R64-D121 WeakPolarHBondContact CA-O 3.2Å; R64-I168 CarbonylContact O-C 3.49Å; R64-I168 WeakPolarHBondContact O-CA 3.41Å; R64-E169 HydrophobicContact CB-CB 4.42Å; R64-E169 PolarHBondContact N-O 2.94Å; R64-E169 IonicContact NH1-OE2 3.33Å; R64-E169 PolarHBondContact O-N 2.95Å; R64-L171 HydrophobicContact CB-CD1 4.14Å; R64-L171 HydrophobicContact CB-CD2 4.33Å; R64-L171 HydrophobicContact CB-CG 4.27Å |
| 65 | L | 96 | Very high | 88.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125 | 170.5 | -81.1 | 67.6 | 0 | 0 | 0 | 108.6 | L76 A117 L118 G120 D121 V123 | L65-L76 HydrophobicContact CD1-CD2 4.04Å; L65-A117 HydrophobicContact CD1-CB 4.11Å; L65-A117 HydrophobicContact CD2-CB 3.63Å; L65-L118 WeakPolarHBondContact CB-O 3.41Å; L65-G120 PolarHBondContact O-N 2.96Å; L65-D121 PolarHBondContact N-O 2.99Å; L65-V123 HydrophobicContact CD1-CG2 3.52Å |
| 66 | L | 95.2 | Very high | 88.8 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -28.1 | -176.2 | -63.6 | -174.4 | 0 | 0 | 0 | 113.2 | T37 R64 V119 T167 E169 | T37-L66 HydrophobicContact CG2-CD1 3.98Å; R64-L66 HydrophobicContact CB-CD2 4.48Å; R64-L66 HydrophobicContact CG-CD2 3.87Å; L66-V119 WeakPolarHBondContact O-CG1 3.44Å; L66-T167 HydrophobicContact CB-CG2 3.89Å; L66-T167 HydrophobicContact CD1-CG2 4.05Å; L66-T167 HydrophobicContact CG-CG2 4.45Å; L66-T167 PolarHBondContact N-O 3.02Å; L66-E169 HydrophobicContact CD1-CB 3.75Å; L66-E169 HydrophobicContact CD2-CB 4.47Å; L66-E169 HydrophobicContact CG-CB 4.06Å |
| 67 | R | 92.8 | Very high | 88.9 | Confident | 152 Ų | 152 | 57.3 Ų | 57.3 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 142.9 | -177.8 | -169.8 | 179.4 | -65.6 | -147.2 | -0.2 | 111.4 | K166 T167 | R67-K166 HydrophobicContact CB-CB 4.16Å; R67-K166 HydrophobicContact CG-CB 4.08Å; R67-K166 HydrophobicContact CG-CG 4.39Å; R67-K166 WeakPolarHBondContact O-CB 3.42Å; R67-K166 PolarHBondContact O-N 2.95Å; R67-T167 PolarHBondContact N-O 2.89Å; R67-T167 PolarHBondContact O-N 3.16Å; R67-T167 VanDerWaalsContact O-N 3.14Å |
| 68 | E | 90.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159.4 | 169.6 | -73.3 | 170.8 | 170.8 | 0 | 0 | 111 | L118 V119 T164 | E68-L118 WeakPolarHBondContact OE1-CA 3.37Å; E68-V119 HydrophobicContact CB-CG2 3.84Å; E68-V119 HydrophobicContact CG-CG2 3.57Å; E68-T164 CarbonylContact C-O 3.49Å; E68-T164 WeakPolarHBondContact CA-O 3.35Å; E68-T164 WeakPolarHBondContact CB-O 3.25Å |
| 69 | E | 83.9 | Confident | 89.6 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | trans | -127.3 | 122.5 | 176.5 | -176.7 | 171.6 | -127.7 | 0 | 0 | 108.8 | R40 W72 T164 K166 | R40-E69 IonicContact NH1-OE2 3.75Å; R40-E69 IonicContact NH2-OE2 3.43Å; R40-E69 PolarHBondContact NH2-OE2 3.35Å; E69-W72 PolarHBondContact OE2-NE1 3.17Å; E69-T164 PolarHBondContact N-O 3.02Å; E69-K166 HydrophobicContact CB-CB 4.38Å; E69-K166 HydrophobicContact CB-CD 4.19Å; E69-K166 VanDerWaalsContact CD-NZ 3.31Å; E69-K166 IonicContact OE1-NZ 3.26Å; E69-K166 PolarHBondContact OE1-NZ 2.98Å; E69-K166 VanDerWaalsContact OE1-NZ 3.15Å; E69-K166 WeakPolarHBondContact OE2-CD 3.45Å; E69-K166 WeakPolarHBondContact OE2-CE 3.49Å; E69-K166 IonicContact OE2-NZ 2.94Å; E69-K166 PolarHBondContact OE2-NZ 2.95Å | ||
| 70 | S | 77.3 | Confident | 89.8 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 81% | 0.811 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 159.1 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 71 | G | 70.3 | Confident | 89.9 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 83% | 0.825 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | 1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 72 | W | 78.1 | Confident | 89.9 | Confident | 90 Ų | 90 | 48.1 Ų | 48.1 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | trans | -115.1 | 154.6 | 171.8 | -57.7 | 114.1 | 0 | 0 | 0 | 111.4 | T43 F44 E69 T164 | T43-W72 VanDerWaalsContact O-CZ2 3.26Å; T43-W72 WeakPolarHBondContact O-CZ2 3.08Å; T43-W72 PolarHBondContact O-NE1 2.88Å; F44-W72 HydrophobicContact CB-CD2 3.84Å; F44-W72 HydrophobicContact CB-CE3 3.66Å; F44-W72 HydrophobicContact CB-CG 4.42Å; F44-W72 HydrophobicContact CB-CH2 4.37Å; F44-W72 HydrophobicContact CB-CZ3 3.96Å; F44-W72 AromaticContact CD1-CE3 3.8Å; F44-W72 HydrophobicContact CD1-CE3 3.8Å; F44-W72 AromaticContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CH2 3.6Å; F44-W72 HydrophobicContact CD1-CZ2 4.44Å; F44-W72 AromaticContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CD1-CZ3 3.22Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.96Å; F44-W72 HydrophobicContact CE1-CZ3 3.96Å; F44-W72 AromaticContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CE3 3.94Å; F44-W72 HydrophobicContact CG-CH2 4.42Å; F44-W72 AromaticContact CG-CZ3 3.86Å; F44-W72 HydrophobicContact CG-CZ3 3.86Å; E69-W72 PolarHBondContact OE2-NE1 3.17Å; W72-T164 WeakPolarHBondContact O-CG2 3.25Å | ||
| 73 | C | 71.2 | Confident | 89.9 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 70% | 0.703 | 27% | 0.269 | S | S | * | . | trans | -109.2 | 148.2 | 174 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 74 | G | 75.1 | Confident | 89.8 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | trans | 85.6 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T164 | G74-T164 PolarHBondContact O-N 3.23Å; G74-T164 PolarHBondContact O-OG1 3.22Å | ||
| 75 | G | 85.4 | Confident | 89.8 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | trans | -141.7 | -173.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R77 | G75-R77 PolarHBondContact O-N 3.12Š| ||
| 76 | L | 93.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | trans | -48 | 128.6 | -180 | 177.4 | 62.7 | 0 | 0 | 0 | 112 | L63 L65 V78 L112 V123 M159 D160 T165 I168 | L63-L76 HydrophobicContact CD1-CD2 4Å; L65-L76 HydrophobicContact CD1-CD2 4.04Å; L76-V78 HydrophobicContact CD1-CG1 4.4Å; L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 3.92Å; L76-L112 HydrophobicContact CB-CD1 4.09Å; L76-L112 HydrophobicContact CD2-CD1 3.84Å; L76-L112 HydrophobicContact CG-CD1 4.1Å; L76-L112 WeakPolarHBondContact O-CB 3.45Å; L76-L112 WeakPolarHBondContact O-CG 3.26Å; L76-L112 PolarHBondContact O-N 3.41Å; L76-V123 HydrophobicContact CD2-CG2 4.49Å; L76-M159 HydrophobicContact CD1-CB 4.48Å; L76-D160 WeakPolarHBondContact CD1-O 3.49Å; L76-T165 HydrophobicContact CB-CG2 4.2Å; L76-T165 PolarHBondContact N-OG1 2.82Å; L76-I168 HydrophobicContact CD1-CD1 4.22Å; L76-I168 HydrophobicContact CD1-CG2 4.18Å; L76-I168 HydrophobicContact CD2-CG2 4.23Å | ||
| 77 | R | 96.3 | Very high | 89.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.9 | 171.3 | -48.2 | 169.3 | 177.6 | 157.2 | -13 | 109 | G75 F96 C98 A110 V111 M159 D160 Y162 | G75-R77 PolarHBondContact O-N 3.12Å; R77-F96 VanDerWaalsContact NH1-CD1 3.31Å; R77-C98 PolarHBondContact NH1-O 3.23Å; R77-A110 CarbonylContact C-O 3.58Å; R77-A110 VanDerWaalsContact CA-O 3.29Å; R77-A110 WeakPolarHBondContact CA-O 3.47Å; R77-V111 HydrophobicContact CG-CB 4.14Å; R77-V111 HydrophobicContact CG-CG2 4.21Å; R77-M159 CarbonylContact O-C 3.54Å; R77-M159 VanDerWaalsContact O-CA 3.29Å; R77-M159 WeakPolarHBondContact O-CA 3.4Å; R77-D160 HydrophobicContact CB-CB 3.78Å; R77-D160 HydrophobicContact CG-CB 4.14Å; R77-D160 IonicContact CZ-OD2 3.15Å; R77-D160 PolarHBondContact N-O 3.38Å; R77-D160 IonicContact NH1-OD2 2.77Å; R77-D160 PolarHBondContact NH1-OD2 2.98Å; R77-D160 PolarHBondContact O-N 2.88Å; R77-Y162 VanDerWaalsContact NH2-CZ 3.26Å |
| 78 | V | 98.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.7 | -178.6 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | L63 L76 A109 A110 L112 F125 L145 M159 | L63-V78 HydrophobicContact CD1-CG1 4.16Å; L76-V78 HydrophobicContact CD1-CG1 4.4Å; L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 3.92Å; V78-A109 WeakPolarHBondContact O-CA 3.45Å; V78-A110 PolarHBondContact N-O 2.87Å; V78-A110 PolarHBondContact O-N 2.91Å; V78-L112 HydrophobicContact CG2-CD2 3.93Å; V78-L112 HydrophobicContact CG2-CG 4.37Å; V78-F125 HydrophobicContact CB-CD1 3.96Å; V78-F125 HydrophobicContact CB-CD2 4.15Å; V78-F125 HydrophobicContact CB-CE1 4.07Å; V78-F125 HydrophobicContact CB-CE2 4.26Å; V78-F125 HydrophobicContact CB-CG 3.99Å; V78-F125 HydrophobicContact CB-CZ 4.21Å; V78-F125 HydrophobicContact CG1-CD1 3.99Å; V78-F125 HydrophobicContact CG1-CE1 4Å; V78-F125 HydrophobicContact CG2-CB 4.13Å; V78-F125 HydrophobicContact CG2-CD1 4.28Å; V78-F125 HydrophobicContact CG2-CD2 4.37Å; V78-F125 HydrophobicContact CG2-CG 4.01Å; V78-L145 HydrophobicContact CG2-CD1 3.53Å; V78-M159 HydrophobicContact CG1-CG 4.18Å |
| 79 | G | 98.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | -165.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W108 F125 V158 | G79-W108 CarbonylContact C-O 3.26Å; G79-W108 WeakPolarHBondContact CA-O 3.36Å; G79-F125 WeakPolarHBondContact O-CE2 3.29Å; G79-V158 PolarHBondContact N-O 3Å; G79-V158 PolarHBondContact O-N 3Å |
| 80 | F | 98.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150 | 176.2 | -67.3 | -89.9 | 0 | 0 | 0 | 110.9 | V55 V61 W108 F125 V127 L133 L155 W156 A157 | V55-F80 HydrophobicContact CB-CE1 3.94Å; V55-F80 HydrophobicContact CG1-CE1 3.9Å; V55-F80 HydrophobicContact CG2-CE1 4.37Å; V61-F80 HydrophobicContact CG2-CE1 4.27Å; V61-F80 HydrophobicContact CG2-CZ 4.18Å; F80-W108 PolarHBondContact N-O 2.97Å; F80-W108 PolarHBondContact O-N 3.15Å; F80-F125 HydrophobicContact CD2-CD2 4.48Å; F80-F125 HydrophobicContact CD2-CE2 4.48Å; F80-F125 HydrophobicContact CE1-CE2 4.34Å; F80-F125 AromaticContact CE2-CD2 3.57Å; F80-F125 HydrophobicContact CE2-CD2 3.57Å; F80-F125 AromaticContact CE2-CE2 3.78Å; F80-F125 HydrophobicContact CE2-CE2 3.78Å; F80-F125 AromaticContact CZ-CD2 3.76Å; F80-F125 HydrophobicContact CZ-CD2 3.76Å; F80-F125 AromaticContact CZ-CE2 3.7Å; F80-F125 HydrophobicContact CZ-CE2 3.7Å; F80-V127 HydrophobicContact CD2-CB 4.42Å; F80-V127 HydrophobicContact CD2-CG2 3.29Å; F80-V127 HydrophobicContact CE2-CB 4.34Å; F80-V127 HydrophobicContact CE2-CG2 3.51Å; F80-V127 HydrophobicContact CG-CG2 4.02Å; F80-V127 HydrophobicContact CZ-CG2 4.38Å; F80-L133 HydrophobicContact CD2-CD1 3.69Å; F80-L133 HydrophobicContact CE2-CD1 3.48Å; F80-L133 VanDerWaalsContact CE2-CD1 3.48Å; F80-L155 HydrophobicContact CB-CB 4.31Å; F80-L155 HydrophobicContact CB-CD1 4.41Å; F80-L155 HydrophobicContact CB-CD2 4.38Å; F80-L155 HydrophobicContact CD1-CB 4.12Å; F80-W156 CarbonylContact C-O 3.52Å; F80-W156 WeakPolarHBondContact CA-O 3.44Å; F80-A157 HydrophobicContact CE1-CB 4.26Å |
| 81 | T | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.7 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 111 | F50 L83 P106 T107 L155 W156 V158 | F50-T81 HydrophobicContact CD1-CG2 3.85Å; F50-T81 HydrophobicContact CE1-CG2 3.89Å; T81-L83 HydrophobicContact CG2-CB 4.14Å; T81-L83 WeakPolarHBondContact OG1-CB 3.29Å; T81-L83 WeakPolarHBondContact OG1-CG 3.44Å; T81-L83 PolarHBondContact OG1-N 3.17Å; T81-P106 WeakPolarHBondContact CA-O 3.28Å; T81-P106 PolarHBondContact OG1-O 3.44Å; T81-T107 VanDerWaalsContact CB-OG1 3.29Å; T81-T107 WeakPolarHBondContact CB-OG1 3.21Å; T81-T107 PolarHBondContact OG1-OG1 3.4Å; T81-L155 CarbonylContact O-C 3.42Å; T81-L155 WeakPolarHBondContact O-CA 3.16Å; T81-W156 HydrophobicContact CG2-CB 4.09Å; T81-W156 PolarHBondContact N-O 3.26Å; T81-W156 PolarHBondContact O-N 2.97Å; T81-V158 HydrophobicContact CG2-CB 4.31Å |
| 82 | R | 97.1 | Very high | 90.9 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -92.2 | -2.4 | 166.6 | -74.2 | -179.3 | 174.2 | -139 | -5.6 | 113.1 | D84 P106 W108 P150 L155 | R82-D84 PolarHBondContact O-N 3.41Å; R82-P106 HydrophobicContact CB-CB 4Å; R82-P106 HydrophobicContact CB-CG 3.84Å; R82-P106 PolarHBondContact N-O 2.85Å; R82-W108 HydrophobicContact CG-CH2 4.41Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; R82-P150 VanDerWaalsContact NH2-CB 3.33Å; R82-P150 PolarHBondContact NH2-O 2.89Å; R82-L155 HydrophobicContact CG-CD2 3.77Å |
| 83 | L | 96.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -67 | 122.2 | 170.1 | -61.9 | 179.4 | 0 | 0 | 0 | 108.9 | T81 P85 V88 L101 P106 | T81-L83 HydrophobicContact CG2-CB 4.14Å; T81-L83 WeakPolarHBondContact OG1-CB 3.29Å; T81-L83 WeakPolarHBondContact OG1-CG 3.44Å; T81-L83 PolarHBondContact OG1-N 3.17Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.38Å; L83-V88 HydrophobicContact CB-CG2 3.79Å; L83-V88 HydrophobicContact CD1-CG2 4.14Å; L83-V88 HydrophobicContact CG-CG2 4.41Å; L83-L101 HydrophobicContact CD1-CD1 3.97Å; L83-P106 HydrophobicContact CD2-CG 4.4Å |
| 84 | D | 96.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | trans | -73.1 | 115.5 | 165.7 | -171.8 | -21.3 | 0 | 0 | 0 | 108 | R82 A86 C87 V88 W156 | R82-D84 PolarHBondContact O-N 3.41Å; D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.1Å; D84-A86 WeakPolarHBondContact OD1-CB 3.48Å; D84-A86 PolarHBondContact OD1-N 3.48Å; D84-C87 HydrophobicContact CB-CB 4.33Å; D84-C87 PolarHBondContact O-N 2.87Å; D84-V88 WeakPolarHBondContact O-CG2 3.4Å; D84-V88 PolarHBondContact O-N 2.79Å; D84-W156 HydrophobicContact CB-CH2 3.77Å; D84-W156 HydrophobicContact CB-CZ2 3.77Å; D84-W156 HydrophobicContact CB-CZ3 4.35Å | ||
| 85 | P | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -57.1 | -27.5 | -178.8 | -24.1 | 35.6 | 0 | 0 | 0 | 112.9 | H21 T24 F50 L83 C87 V88 W156 | H21-P85 HydrophobicContact CB-CB 4.05Å; T24-P85 WeakPolarHBondContact CB-O 3.5Å; T24-P85 HydrophobicContact CG2-CB 4.26Å; T24-P85 PolarHBondContact OG1-O 2.81Å; F50-P85 HydrophobicContact CB-CB 3.93Å; F50-P85 HydrophobicContact CB-CG 3.44Å; F50-P85 VanDerWaalsContact CB-CG 3.44Å; F50-P85 HydrophobicContact CD1-CG 4.19Å; F50-P85 HydrophobicContact CD2-CB 4.49Å; F50-P85 HydrophobicContact CG-CB 4.19Å; F50-P85 HydrophobicContact CG-CG 3.85Å; L83-P85 VanDerWaalsContact O-CD 3.28Å; L83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-C87 PolarHBondContact O-N 2.9Å; P85-V88 PolarHBondContact O-N 2.94Å; P85-W156 VanDerWaalsContact CD-NE1 3.3Å; P85-W156 HydrophobicContact CG-CB 4.33Å; P85-W156 HydrophobicContact CG-CG 4.02Å |
| 86 | A | 96.2 | Very high | 93.9 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 60% | 0.603 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -66.8 | -20.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D84 | D84-A86 PolarHBondContact O-N 2.97Å; D84-A86 VanDerWaalsContact O-N 3.1Å; D84-A86 WeakPolarHBondContact OD1-CB 3.48Å; D84-A86 PolarHBondContact OD1-N 3.48Å |
| 87 | C | 93.7 | Very high | 94 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -104.7 | -2 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | D84 P85 | D84-C87 HydrophobicContact CB-CB 4.33Å; D84-C87 PolarHBondContact O-N 2.87Å; P85-C87 PolarHBondContact O-N 2.9Å |
| 88 | V | 92.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | trans | -90.2 | 126.6 | -179.1 | 174.1 | 0 | 0 | 0 | 0 | 110 | T24 L83 D84 P85 L93 | T24-V88 HydrophobicContact CG2-CB 3.76Å; T24-V88 HydrophobicContact CG2-CG1 3.84Å; L83-V88 HydrophobicContact CB-CG2 3.79Å; L83-V88 HydrophobicContact CD1-CG2 4.14Å; L83-V88 HydrophobicContact CG-CG2 4.41Å; D84-V88 WeakPolarHBondContact O-CG2 3.4Å; D84-V88 PolarHBondContact O-N 2.79Å; P85-V88 PolarHBondContact O-N 2.94Å; V88-L93 HydrophobicContact CG1-CD2 3.76Å; V88-L93 HydrophobicContact CG1-CG 4.25Å | ||
| 89 | S | 89.8 | Confident | 93.2 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | trans | -73.1 | 126.5 | 173.1 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | P91 S92 | S89-P91 WeakPolarHBondContact OG-CD 3.38Å; S89-S92 PolarHBondContact O-N 2.84Å; S89-S92 PolarHBondContact O-OG 3.1Å | ||
| 90 | V | 86.2 | Confident | 92.9 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -59.4 | -42.4 | -179 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | S92 L93 | V90-S92 PolarHBondContact O-N 3.34Å; V90-S92 VanDerWaalsContact O-N 3.13Å; V90-L93 WeakPolarHBondContact O-CB 3.42Å; V90-L93 PolarHBondContact O-N 2.6Å |
| 91 | P | 86.9 | Confident | 92.6 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 78% | 0.779 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -60.2 | -18.2 | 174.1 | -26.2 | 35.2 | 0 | 0 | 0 | 115.3 | S89 | S89-P91 WeakPolarHBondContact OG-CD 3.38Š|
| 92 | S | 85.1 | Confident | 92.5 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 51% | 0.51 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -91.6 | 1.6 | 176.6 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | S89 V90 P94 | S89-S92 PolarHBondContact O-N 2.84Å; S89-S92 PolarHBondContact O-OG 3.1Å; V90-S92 PolarHBondContact O-N 3.34Å; V90-S92 VanDerWaalsContact O-N 3.13Å; S92-P94 WeakPolarHBondContact O-CD 3.05Å |
| 93 | L | 93.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -73.3 | 124.8 | 173.6 | -71.7 | 178 | 0 | 0 | 0 | 109.9 | T24 F50 V88 V90 | T24-L93 HydrophobicContact CG2-CD1 4.2Å; F50-L93 HydrophobicContact CE2-CD1 4.28Å; F50-L93 HydrophobicContact CE2-CD2 3.8Å; F50-L93 HydrophobicContact CZ-CD2 3.82Å; V88-L93 HydrophobicContact CG1-CD2 3.76Å; V88-L93 HydrophobicContact CG1-CG 4.25Å; V90-L93 WeakPolarHBondContact O-CB 3.42Å; V90-L93 PolarHBondContact O-N 2.6Å | ||
| 94 | P | 94.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -74.2 | 168.4 | 174.7 | 32.7 | -35.3 | 0 | 0 | 0 | 111.2 | I48 S92 F96 D100 L101 | I48-P94 HydrophobicContact CD1-CG 4.31Å; I48-P94 WeakPolarHBondContact CD1-O 3.28Å; S92-P94 WeakPolarHBondContact O-CD 3.05Å; P94-F96 VanDerWaalsContact C-N 3.25Å; P94-F96 PolarHBondContact O-N 3.36Å; P94-D100 HydrophobicContact CB-CB 3.48Å; P94-D100 VanDerWaalsContact CB-CB 3.48Å; P94-D100 HydrophobicContact CG-CB 3.8Å; P94-L101 HydrophobicContact CG-CB 3.76Å; P94-L101 HydrophobicContact CG-CD1 4.15Å | ||
| 95 | P | 89.8 | Confident | 92 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 31% | 0.312 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -66.6 | -24.4 | -178.7 | 22.8 | -30.9 | 0 | 0 | 0 | 114 | H45 D46 D100 | H45-P95 HydrophobicContact CB-CB 4.04Å; D46-P95 PolarHBondContact N-O 3.16Å; D46-P95 VanDerWaalsContact OD1-CA 3.28Å; D46-P95 WeakPolarHBondContact OD1-CA 3.14Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å; P95-D100 WeakPolarHBondContact CD-OD2 3.42Å; P95-D100 WeakPolarHBondContact CG-OD2 3.22Å |
| 96 | F | 93.8 | Very high | 92 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | trans | -132.7 | 147.3 | -176.2 | -54.7 | -60.9 | 0 | 0 | 0 | 113.4 | F44 H45 R77 P94 C98 D100 L101 Y162 | F44-F96 HydrophobicContact CD2-CE1 4.22Å; F44-F96 HydrophobicContact CD2-CZ 4.29Å; F44-F96 HydrophobicContact CE2-CE1 4.25Å; F44-F96 AromaticContact CE2-CZ 3.85Å; F44-F96 HydrophobicContact CE2-CZ 3.85Å; H45-F96 HydrophobicContact CB-CD1 4.05Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.52Å; R77-F96 VanDerWaalsContact NH1-CD1 3.31Å; P94-F96 VanDerWaalsContact C-N 3.25Å; P94-F96 PolarHBondContact O-N 3.36Å; F96-C98 WeakPolarHBondContact CB-O 3.29Å; F96-D100 WeakPolarHBondContact CB-OD2 3.23Å; F96-D100 VanDerWaalsContact CD2-OD2 3.3Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.4Å; F96-D100 PolarHBondContact N-OD2 3.29Å; F96-D100 WeakPolarHBondContact O-CB 3.22Å; F96-L101 PolarHBondContact O-N 2.9Å; F96-Y162 AromaticContact CD1-CD2 3.85Å; F96-Y162 HydrophobicContact CD1-CD2 3.85Å; F96-Y162 AromaticContact CD1-CE2 3.85Å; F96-Y162 HydrophobicContact CD1-CE2 3.85Å; F96-Y162 AromaticContact CE1-CD2 3.83Å; F96-Y162 HydrophobicContact CE1-CD2 3.83Å; F96-Y162 AromaticContact CE1-CE2 3.52Å; F96-Y162 HydrophobicContact CE1-CE2 3.52Å | ||
| 97 | V | 95.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -69.8 | -42.3 | 168.5 | 176.3 | 0 | 0 | 0 | 0 | 111 | I48 L101 E102 T107 A109 V158 D160 | I48-V97 HydrophobicContact CB-CG2 4.27Å; I48-V97 HydrophobicContact CD1-CG2 3.88Å; I48-V97 HydrophobicContact CG1-CG2 3.8Å; I48-V97 HydrophobicContact CG2-CG2 3.8Å; V97-L101 HydrophobicContact CG2-CD2 4.44Å; V97-L101 PolarHBondContact O-N 2.82Å; V97-E102 PolarHBondContact O-N 2.89Å; V97-E102 VanDerWaalsContact O-N 3.16Å; V97-T107 HydrophobicContact CG1-CG2 4.18Å; V97-A109 HydrophobicContact CG1-CB 3.37Å; V97-V158 HydrophobicContact CG1-CG1 4.41Å; V97-V158 HydrophobicContact CG1-CG2 4.37Å; V97-V158 HydrophobicContact CG2-CG2 3.85Å; V97-D160 HydrophobicContact CB-CB 4.04Å; V97-D160 HydrophobicContact CG2-CB 3.64Å; V97-D160 PolarHBondContact N-OD2 2.86Å |
| 98 | C | 89.3 | Confident | 92.3 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -120.3 | 127.8 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | R77 F96 | R77-C98 PolarHBondContact NH1-O 3.23Å; F96-C98 WeakPolarHBondContact CB-O 3.29Å |
| 99 | P | 88.4 | Confident | 92.5 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | I | π-helix | cis | -83.7 | -20.3 | -1 | 33.3 | -33.5 | 0 | 0 | 0 | 114.2 | L101 E102 E103 | P99-L101 PolarHBondContact O-N 2.89Å; P99-E102 PolarHBondContact O-N 3.27Å; P99-E103 HydrophobicContact CB-CG 4.34Å; P99-E103 WeakPolarHBondContact O-CG 3.22Å; P99-E103 PolarHBondContact O-N 2.88Å |
| 100 | D | 92.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -58.5 | -57.6 | -158.6 | -40.5 | -19.2 | 0 | 0 | 0 | 115.1 | P94 P95 F96 E102 E103 Q104 | P94-D100 HydrophobicContact CB-CB 3.48Å; P94-D100 VanDerWaalsContact CB-CB 3.48Å; P94-D100 HydrophobicContact CG-CB 3.8Å; P95-D100 WeakPolarHBondContact CD-OD2 3.42Å; P95-D100 WeakPolarHBondContact CG-OD2 3.22Å; F96-D100 WeakPolarHBondContact CB-OD2 3.23Å; F96-D100 VanDerWaalsContact CD2-OD2 3.3Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.4Å; F96-D100 PolarHBondContact N-OD2 3.29Å; F96-D100 WeakPolarHBondContact O-CB 3.22Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.06Å; D100-E103 PolarHBondContact O-N 2.89Å; D100-Q104 WeakPolarHBondContact O-CB 3.18Å; D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.38Å; D100-Q104 VanDerWaalsContact O-N 3.1Å |
| 101 | L | 93.6 | Very high | 93 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -64.7 | -35.4 | -176.8 | -173.8 | 61.3 | 0 | 0 | 0 | 111.2 | I48 F50 L83 P94 F96 V97 P99 Q104 S105 T107 V158 | I48-L101 HydrophobicContact CD1-CD2 4.31Å; I48-L101 HydrophobicContact CG2-CD2 4.31Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; L83-L101 HydrophobicContact CD1-CD1 3.97Å; P94-L101 HydrophobicContact CG-CB 3.76Å; P94-L101 HydrophobicContact CG-CD1 4.15Å; F96-L101 PolarHBondContact O-N 2.9Å; V97-L101 HydrophobicContact CG2-CD2 4.44Å; V97-L101 PolarHBondContact O-N 2.82Å; P99-L101 PolarHBondContact O-N 2.89Å; L101-Q104 PolarHBondContact O-N 3.33Å; L101-S105 VanDerWaalsContact O-CB 3.32Å; L101-S105 WeakPolarHBondContact O-CB 2.78Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 3.21Å; L101-T107 HydrophobicContact CD2-CG2 4.23Å; L101-T107 HydrophobicContact CG-CG2 4.23Å; L101-V158 HydrophobicContact CD2-CG2 4.24Å |
| 102 | E | 94.9 | Very high | 93.1 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.5 | 170.4 | 165.6 | -95 | 0 | 0 | 113.2 | V97 P99 D100 Q104 T107 W108 A109 R146 | V97-E102 PolarHBondContact O-N 2.89Å; V97-E102 VanDerWaalsContact O-N 3.16Å; P99-E102 PolarHBondContact O-N 3.27Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.06Å; E102-Q104 VanDerWaalsContact C-N 3.35Å; E102-T107 WeakPolarHBondContact CG-O 3.24Å; E102-W108 WeakPolarHBondContact OE1-CA 3.32Å; E102-A109 PolarHBondContact OE1-N 2.83Å; E102-A109 VanDerWaalsContact OE1-N 3.11Å; E102-R146 IonicContact OE1-CZ 2.87Å; E102-R146 IonicContact OE1-NE 3.85Å; E102-R146 PolarHBondContact OE1-NE 2.74Å; E102-R146 IonicContact OE1-NH1 3.24Å; E102-R146 PolarHBondContact OE1-NH1 3.27Å; E102-R146 IonicContact OE1-NH2 2.87Å; E102-R146 PolarHBondContact OE1-NH2 3.34Å; E102-R146 IonicContact OE2-CZ 3.04Å; E102-R146 IonicContact OE2-NH1 2.76Å; E102-R146 PolarHBondContact OE2-NH1 3.48Å; E102-R146 IonicContact OE2-NH2 2.66Å; E102-R146 PolarHBondContact OE2-NH2 2.73Å |
| 103 | E | 93.7 | Very high | 92.9 | Very high | 155 Ų | 155 | 39.8 Ų | 39.8 | 72% | 0.724 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -73.1 | -29.7 | 176.5 | -72.2 | 178.4 | 177.2 | 0 | 0 | 112.5 | P99 D100 | P99-E103 HydrophobicContact CB-CG 4.34Å; P99-E103 WeakPolarHBondContact O-CG 3.22Å; P99-E103 PolarHBondContact O-N 2.88Å; D100-E103 PolarHBondContact O-N 2.89Å |
| 104 | Q | 92.9 | Very high | 91.7 | Very high | 132 Ų | 132 | 45.6 Ų | 45.6 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -92.9 | -12.2 | -174.5 | -65.1 | 168.5 | 25.3 | 0 | 0 | 113.8 | D100 L101 E102 | D100-Q104 WeakPolarHBondContact O-CB 3.18Å; D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.38Å; D100-Q104 VanDerWaalsContact O-N 3.1Å; L101-Q104 PolarHBondContact O-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.35Å |
| 105 | S | 94 | Very high | 90.5 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -151.8 | 164.8 | -168.5 | 81.6 | 0 | 0 | 0 | 0 | 112.6 | L101 T107 | L101-S105 VanDerWaalsContact O-CB 3.32Å; L101-S105 WeakPolarHBondContact O-CB 2.78Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 3.21Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 WeakPolarHBondContact OG-CB 2.91Å; S105-T107 PolarHBondContact OG-OG1 2.69Å |
| 106 | P | 96.3 | Very high | 89.6 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -72.9 | 71.4 | 173.9 | 32.2 | -37.3 | 0 | 0 | 0 | 110.9 | T81 R82 L83 W108 | T81-P106 WeakPolarHBondContact CA-O 3.28Å; T81-P106 PolarHBondContact OG1-O 3.44Å; R82-P106 HydrophobicContact CB-CB 4Å; R82-P106 HydrophobicContact CB-CG 3.84Å; R82-P106 PolarHBondContact N-O 2.85Å; L83-P106 HydrophobicContact CD2-CG 4.4Å; P106-W108 VanDerWaalsContact C-CZ3 3.41Å; P106-W108 HydrophobicContact CB-CH2 3.7Å; P106-W108 HydrophobicContact CB-CZ3 4.13Å; P106-W108 WeakPolarHBondContact O-CZ3 3.49Å |
| 107 | T | 97.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.5 | -177.4 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | T81 V97 L101 E102 S105 V158 | T81-T107 VanDerWaalsContact CB-OG1 3.29Å; T81-T107 WeakPolarHBondContact CB-OG1 3.21Å; T81-T107 PolarHBondContact OG1-OG1 3.4Å; V97-T107 HydrophobicContact CG1-CG2 4.18Å; L101-T107 HydrophobicContact CD2-CG2 4.23Å; L101-T107 HydrophobicContact CG-CG2 4.23Å; E102-T107 WeakPolarHBondContact CG-O 3.24Å; S105-T107 PolarHBondContact O-N 3.03Å; S105-T107 WeakPolarHBondContact OG-CB 2.91Å; S105-T107 PolarHBondContact OG-OG1 2.69Å; T107-V158 HydrophobicContact CG2-CG1 4Å |
| 108 | W | 97.9 | Very high | 88.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 109.2 | 179 | -60.8 | -91.1 | 0 | 0 | 0 | 108.7 | G79 F80 R82 E102 P106 V149 P150 | G79-W108 CarbonylContact C-O 3.26Å; G79-W108 WeakPolarHBondContact CA-O 3.36Å; F80-W108 PolarHBondContact N-O 2.97Å; F80-W108 PolarHBondContact O-N 3.15Å; R82-W108 HydrophobicContact CG-CH2 4.41Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; E102-W108 WeakPolarHBondContact OE1-CA 3.32Å; P106-W108 VanDerWaalsContact C-CZ3 3.41Å; P106-W108 HydrophobicContact CB-CH2 3.7Å; P106-W108 HydrophobicContact CB-CZ3 4.13Å; P106-W108 WeakPolarHBondContact O-CZ3 3.49Å; W108-V149 HydrophobicContact CB-CG2 3.77Å; W108-V149 HydrophobicContact CD2-CG1 4.32Å; W108-V149 HydrophobicContact CE3-CG1 4.13Å; W108-V149 HydrophobicContact CG-CG2 4.04Å; W108-P150 HydrophobicContact CH2-CG 3.66Å; W108-P150 HydrophobicContact CZ2-CG 3.42Å; W108-P150 VanDerWaalsContact CZ2-CG 3.42Å; W108-P150 HydrophobicContact CZ3-CG 4.48Å |
| 109 | A | 97.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 166.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V78 V97 E102 R146 | V78-A109 WeakPolarHBondContact O-CA 3.45Å; V97-A109 HydrophobicContact CG1-CB 3.37Å; E102-A109 PolarHBondContact OE1-N 2.83Å; E102-A109 VanDerWaalsContact OE1-N 3.11Å; A109-R146 PolarHBondContact O-NH1 2.94Å |
| 110 | A | 94.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 156.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R77 V78 L145 | R77-A110 CarbonylContact C-O 3.58Å; R77-A110 VanDerWaalsContact CA-O 3.29Å; R77-A110 WeakPolarHBondContact CA-O 3.47Å; V78-A110 PolarHBondContact N-O 2.87Å; V78-A110 PolarHBondContact O-N 2.91Å; A110-L145 HydrophobicContact CB-CB 3.87Å; A110-L145 HydrophobicContact CB-CD2 4.38Å |
| 111 | V | 91.9 | Very high | 88.6 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.1 | 166.2 | 69.6 | 0 | 0 | 0 | 0 | 109.4 | R77 | R77-V111 HydrophobicContact CG-CB 4.14Å; R77-V111 HydrophobicContact CG-CG2 4.21Å |
| 112 | L | 89.4 | Confident | 88.7 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 139.9 | 166.2 | -70.3 | 179 | 0 | 0 | 0 | 108.6 | L76 V78 E114 A117 V123 A135 L145 | L76-L112 HydrophobicContact CB-CD1 4.09Å; L76-L112 HydrophobicContact CD2-CD1 3.84Å; L76-L112 HydrophobicContact CG-CD1 4.1Å; L76-L112 WeakPolarHBondContact O-CB 3.45Å; L76-L112 WeakPolarHBondContact O-CG 3.26Å; L76-L112 PolarHBondContact O-N 3.41Å; V78-L112 HydrophobicContact CG2-CD2 3.93Å; V78-L112 HydrophobicContact CG2-CG 4.37Å; L112-E114 PolarHBondContact O-N 2.87Å; L112-A117 HydrophobicContact CD1-CB 4.26Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.7Å; L112-V123 HydrophobicContact CD1-CG2 3.87Å; L112-V123 HydrophobicContact CD2-CG1 4.17Å; L112-A135 HydrophobicContact CD2-CB 3.66Å; L112-L145 HydrophobicContact CD2-CD1 4.16Å; L112-L145 HydrophobicContact CD2-CD2 4.44Å |
| 113 | P | 79.6 | Confident | 88.8 | Confident | 34 Ų | 34 | 49 Ų | 49 | 22% | 0.221 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 138.3 | -179.6 | -20 | 28.6 | 0 | 0 | 0 | 110.5 | G115 C116 F143 | P113-G115 PolarHBondContact O-N 3.39Å; P113-C116 WeakPolarHBondContact O-CB 3.24Å; P113-C116 PolarHBondContact O-N 3.24Å; P113-C116 VanDerWaalsContact O-N 3.1Å; P113-F143 HydrophobicContact CG-CG 4.47Å |
| 114 | E | 69.8 | Low | 88.9 | Confident | 148 Ų | 148 | 45.1 Ų | 45.1 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.5 | -172 | -172.2 | 164.5 | -158.5 | 0 | 0 | 111.6 | L112 C116 R232 | L112-E114 PolarHBondContact O-N 2.87Å; E114-C116 PolarHBondContact O-N 3Å; E114-C116 VanDerWaalsContact O-N 3.1Å; E114-R232 PolarHBondContact O-NE 3.3Å; E114-R232 PolarHBondContact O-NH1 3.28Å; E114-R232 PolarHBondContact O-NH2 2.81Å |
| 115 | G | 67.6 | Low | 89.2 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 5.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P113 R232 | P113-G115 PolarHBondContact O-N 3.39Å; G115-R232 VanDerWaalsContact C-CZ 3.5Å; G115-R232 WeakPolarHBondContact O-CD 2.94Å; G115-R232 PolarHBondContact O-NH1 3.28Å |
| 116 | C | 71.1 | Confident | 89.4 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -81.1 | -16.4 | -178.4 | -78.4 | 0 | 0 | 0 | 0 | 114.5 | P113 E114 V137 R232 | P113-C116 WeakPolarHBondContact O-CB 3.24Å; P113-C116 PolarHBondContact O-N 3.24Å; P113-C116 VanDerWaalsContact O-N 3.1Å; E114-C116 PolarHBondContact O-N 3Å; E114-C116 VanDerWaalsContact O-N 3.1Å; C116-V137 WeakPolarHBondContact O-CB 3.22Å; C116-V137 WeakPolarHBondContact O-CG1 3.41Å; C116-V137 WeakPolarHBondContact O-CG2 3Å; C116-R232 VanDerWaalsContact CA-NH1 3.29Å; C116-R232 VanDerWaalsContact N-NH1 3.13Å; C116-R232 PolarHBondContact SG-NH1 3.48Å |
| 117 | A | 79.9 | Confident | 89.4 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 12% | 0.116 | 21% | 0.212 | C | C | . | . | trans | -134 | 122 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | L65 L112 V123 V137 | L65-A117 HydrophobicContact CD1-CB 4.11Å; L65-A117 HydrophobicContact CD2-CB 3.63Å; L112-A117 HydrophobicContact CD1-CB 4.26Å; A117-V123 HydrophobicContact CB-CG2 3.78Å; A117-V137 HydrophobicContact CB-CG1 4.41Å; A117-V137 HydrophobicContact CB-CG2 4.27Å | ||
| 118 | L | 85.7 | Confident | 89.3 | Confident | 95 Ų | 95 | 37.8 Ų | 37.8 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | trans | -111.9 | 169 | 176.6 | -60.4 | 175.6 | 0 | 0 | 0 | 110.3 | L65 E68 G120 D121 | L65-L118 WeakPolarHBondContact CB-O 3.41Å; E68-L118 WeakPolarHBondContact OE1-CA 3.37Å; L118-G120 PolarHBondContact O-N 3.02Å; L118-D121 PolarHBondContact N-OD2 3.07Å; L118-D121 VanDerWaalsContact O-CB 3.22Å; L118-D121 WeakPolarHBondContact O-CB 3.18Å; L118-D121 PolarHBondContact O-N 3.25Å | ||
| 119 | V | 91.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 129.1 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L66 E68 | L66-V119 WeakPolarHBondContact O-CG1 3.44Å; E68-V119 HydrophobicContact CB-CG2 3.84Å; E68-V119 HydrophobicContact CG-CG2 3.57Å |
| 120 | G | 88.8 | Confident | 89 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -21.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L65 L118 | L65-G120 PolarHBondContact O-N 2.96Å; L118-G120 PolarHBondContact O-N 3.02Å |
| 121 | D | 92.8 | Very high | 89 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | trans | -69.7 | 149.6 | -178.7 | -74.2 | -19.1 | 0 | 0 | 0 | 112.6 | R64 L65 L118 V137 N138 | R64-D121 WeakPolarHBondContact CA-O 3.2Å; L65-D121 PolarHBondContact N-O 2.99Å; L118-D121 PolarHBondContact N-OD2 3.07Å; L118-D121 VanDerWaalsContact O-CB 3.22Å; L118-D121 WeakPolarHBondContact O-CB 3.18Å; L118-D121 PolarHBondContact O-N 3.25Å; D121-V137 HydrophobicContact CB-CG1 3.72Å; D121-N138 VanDerWaalsContact CG-ND2 3.26Å; D121-N138 PolarHBondContact OD1-ND2 2.86Å | ||
| 122 | V | 96 | Very high | 89.2 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 108.8 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | V62 L63 N138 L171 | V62-V122 HydrophobicContact CG1-CG1 3.43Å; V62-V122 VanDerWaalsContact CG1-CG1 3.43Å; L63-V122 CarbonylContact O-C 3.44Å; L63-V122 VanDerWaalsContact O-CA 3.22Å; L63-V122 WeakPolarHBondContact O-CA 3.38Å; V122-N138 PolarHBondContact N-OD1 2.84Å; V122-N138 PolarHBondContact O-N 2.91Å; V122-L171 HydrophobicContact CG1-CD1 4.09Å; V122-L171 HydrophobicContact CG2-CD1 4.22Å |
| 123 | V | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.8 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | V62 L63 L65 L76 L112 A117 K136 V137 | V62-V123 CarbonylContact C-O 3.6Å; V62-V123 WeakPolarHBondContact CA-O 3.09Å; L63-V123 HydrophobicContact CB-CB 4.39Å; L63-V123 PolarHBondContact N-O 2.8Å; L63-V123 PolarHBondContact O-N 2.75Å; L65-V123 HydrophobicContact CD1-CG2 3.52Å; L76-V123 HydrophobicContact CD2-CG2 4.49Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.7Å; L112-V123 HydrophobicContact CD1-CG2 3.87Å; L112-V123 HydrophobicContact CD2-CG1 4.17Å; A117-V123 HydrophobicContact CB-CG2 3.78Å; V123-K136 CarbonylContact C-O 3.55Å; V123-V137 HydrophobicContact CG1-CG2 4.46Å; V123-V137 HydrophobicContact CG2-CG2 4.1Å |
| 124 | R | 97.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.275 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125 | 171.9 | -64.4 | -178.3 | 176.9 | 73.3 | -0.2 | 109.2 | V61 V62 A135 K136 | V61-R124 VanDerWaalsContact O-CA 3.28Å; V61-R124 WeakPolarHBondContact O-CA 3.49Å; V62-R124 HydrophobicContact CB-CG 4.43Å; V62-R124 HydrophobicContact CG1-CG 4.02Å; V62-R124 HydrophobicContact CG2-CG 4.08Å; R124-A135 CarbonylContact O-C 3.6Å; R124-A135 WeakPolarHBondContact O-CA 3.42Å; R124-K136 PolarHBondContact N-O 3.1Å; R124-K136 PolarHBondContact O-N 2.7Å |
| 125 | F | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.3 | 174.2 | 70 | -83.1 | 0 | 0 | 0 | 111.6 | V61 L63 V78 G79 F80 L133 F134 A135 A157 M159 | V61-F125 HydrophobicContact CB-CD1 3.97Å; V61-F125 HydrophobicContact CB-CD2 4.35Å; V61-F125 HydrophobicContact CB-CE1 3.48Å; V61-F125 VanDerWaalsContact CB-CE1 3.48Å; V61-F125 HydrophobicContact CB-CE2 3.91Å; V61-F125 HydrophobicContact CB-CG 4.37Å; V61-F125 HydrophobicContact CB-CZ 3.46Å; V61-F125 VanDerWaalsContact CB-CZ 3.46Å; V61-F125 HydrophobicContact CG1-CD1 4.28Å; V61-F125 HydrophobicContact CG1-CE1 3.37Å; V61-F125 HydrophobicContact CG1-CE2 4.31Å; V61-F125 HydrophobicContact CG1-CZ 3.4Å; V61-F125 HydrophobicContact CG2-CE1 4.39Å; V61-F125 HydrophobicContact CG2-CE2 3.96Å; V61-F125 HydrophobicContact CG2-CZ 3.88Å; V61-F125 PolarHBondContact N-O 2.86Å; V61-F125 PolarHBondContact O-N 2.76Å; L63-F125 HydrophobicContact CD1-CD1 4.3Å; L63-F125 HydrophobicContact CD1-CE1 3.68Å; L63-F125 HydrophobicContact CG-CE1 4.1Å; V78-F125 HydrophobicContact CB-CD1 3.96Å; V78-F125 HydrophobicContact CB-CD2 4.15Å; V78-F125 HydrophobicContact CB-CE1 4.07Å; V78-F125 HydrophobicContact CB-CE2 4.26Å; V78-F125 HydrophobicContact CB-CG 3.99Å; V78-F125 HydrophobicContact CB-CZ 4.21Å; V78-F125 HydrophobicContact CG1-CD1 3.99Å; V78-F125 HydrophobicContact CG1-CE1 4Å; V78-F125 HydrophobicContact CG2-CB 4.13Å; V78-F125 HydrophobicContact CG2-CD1 4.28Å; V78-F125 HydrophobicContact CG2-CD2 4.37Å; V78-F125 HydrophobicContact CG2-CG 4.01Å; G79-F125 WeakPolarHBondContact O-CE2 3.29Å; F80-F125 HydrophobicContact CD2-CD2 4.48Å; F80-F125 HydrophobicContact CD2-CE2 4.48Å; F80-F125 HydrophobicContact CE1-CE2 4.34Å; F80-F125 AromaticContact CE2-CD2 3.57Å; F80-F125 HydrophobicContact CE2-CD2 3.57Å; F80-F125 AromaticContact CE2-CE2 3.78Å; F80-F125 HydrophobicContact CE2-CE2 3.78Å; F80-F125 AromaticContact CZ-CD2 3.76Å; F80-F125 HydrophobicContact CZ-CD2 3.76Å; F80-F125 AromaticContact CZ-CE2 3.7Å; F80-F125 HydrophobicContact CZ-CE2 3.7Å; F125-L133 HydrophobicContact CD2-CD1 4.22Å; F125-F134 CarbonylContact C-O 3.57Å; F125-F134 WeakPolarHBondContact CA-O 3.32Å; F125-F134 WeakPolarHBondContact CB-O 3.38Å; F125-A135 HydrophobicContact CB-CB 4.03Å; F125-A157 HydrophobicContact CE2-CB 4.18Å; F125-A157 HydrophobicContact CZ-CB 4.02Å; F125-M159 HydrophobicContact CE1-CG 4.28Å; F125-M159 HydrophobicContact CE1-SD 4.24Å; F125-M159 HydrophobicContact CZ-CG 4.07Å; F125-M159 HydrophobicContact CZ-SD 3.62Å |
| 126 | W | 97.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 160 | -176.1 | 68.3 | 94.9 | 0 | 0 | 0 | 110.8 | E59 R60 F134 K136 R142 | E59-W126 WeakPolarHBondContact O-CB 3.39Å; R60-W126 HydrophobicContact CG-CB 4.43Å; R60-W126 HydrophobicContact CG-CD2 4.42Å; R60-W126 HydrophobicContact CG-CE3 4.21Å; W126-F134 HydrophobicContact CD2-CB 4.09Å; W126-F134 HydrophobicContact CE3-CB 4.37Å; W126-F134 HydrophobicContact CH2-CB 3.87Å; W126-F134 HydrophobicContact CZ2-CB 3.56Å; W126-F134 HydrophobicContact CZ2-CD2 4.41Å; W126-F134 HydrophobicContact CZ2-CG 4.09Å; W126-F134 HydrophobicContact CZ3-CB 4.26Å; W126-F134 PolarHBondContact N-O 3.33Å; W126-F134 AromaticContact NE1-CD2 3.91Å; W126-F134 PolarHBondContact O-N 2.84Å; W126-K136 HydrophobicContact CH2-CB 4.24Å; W126-K136 HydrophobicContact CZ3-CB 4.05Å; W126-R142 HydrophobicContact CH2-CB 4.18Å |
| 127 | V | 97.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133 | 168.5 | 169.2 | 0 | 0 | 0 | 0 | 109.3 | L57 G58 F80 R132 L133 V149 V151 | L57-V127 HydrophobicContact CD2-CG1 4.1Å; G58-V127 WeakPolarHBondContact CA-O 3.25Å; G58-V127 PolarHBondContact N-O 3.38Å; F80-V127 HydrophobicContact CD2-CB 4.42Å; F80-V127 HydrophobicContact CD2-CG2 3.29Å; F80-V127 HydrophobicContact CE2-CB 4.34Å; F80-V127 HydrophobicContact CE2-CG2 3.51Å; F80-V127 HydrophobicContact CG-CG2 4.02Å; F80-V127 HydrophobicContact CZ-CG2 4.38Å; V127-R132 WeakPolarHBondContact CA-O 3.16Å; V127-L133 HydrophobicContact CG2-CB 4.2Å; V127-L133 HydrophobicContact CG2-CD1 4.1Å; V127-V149 HydrophobicContact CG1-CB 4.18Å; V127-V149 HydrophobicContact CG1-CG1 4.22Å; V127-V149 HydrophobicContact CG2-CB 4.24Å; V127-V149 HydrophobicContact CG2-CG1 4.02Å; V127-V149 HydrophobicContact CG2-CG2 4.18Å; V127-V151 HydrophobicContact CG1-CG1 4.16Å |
| 128 | D | 94.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | trans | -84.4 | 176.7 | 174.5 | 81.5 | -1.7 | 0 | 0 | 0 | 112.5 | R130 G131 R132 F134 | D128-R130 PolarHBondContact O-N 2.79Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 VanDerWaalsContact OD1-CA 3.31Å; D128-R130 WeakPolarHBondContact OD1-CA 3.39Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 PolarHBondContact OD1-N 2.73Å; D128-G131 PolarHBondContact O-N 2.76Å; D128-G131 VanDerWaalsContact O-N 3.13Å; D128-G131 PolarHBondContact OD1-N 1.97Å; D128-R132 PolarHBondContact N-O 2.79Å; D128-R132 WeakPolarHBondContact OD1-CB 3.45Å; D128-R132 PolarHBondContact OD1-N 3.22Å; D128-R132 IonicContact OD1-NE 3.11Å; D128-R132 IonicContact OD2-CZ 3.48Å; D128-R132 VanDerWaalsContact OD2-CZ 3.26Å; D128-R132 IonicContact OD2-NE 2.69Å; D128-R132 PolarHBondContact OD2-NE 3.43Å; D128-R132 IonicContact OD2-NH2 2.66Å; D128-R132 PolarHBondContact OD2-NH2 2.77Å; D128-F134 HydrophobicContact CB-CE2 4.27Å | ||
| 129 | R | 94.8 | Very high | 94 | Very high | 225 Ų | 225 | 49.2 Ų | 49.2 | 85% | 0.849 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.3 | 179.3 | -63.1 | -175.5 | -176.7 | -179.4 | 0.6 | 114 | ||
| 130 | R | 94.4 | Very high | 93.3 | Very high | 198 Ų | 198 | 46.7 Ų | 46.7 | 75% | 0.747 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 4.8 | 177.5 | -63.2 | -176.1 | 172.6 | -167.2 | -3.2 | 112.1 | D128 R132 | D128-R130 PolarHBondContact O-N 2.79Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 VanDerWaalsContact OD1-CA 3.31Å; D128-R130 WeakPolarHBondContact OD1-CA 3.39Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 PolarHBondContact OD1-N 2.73Å; R130-R132 HydrophobicContact CB-CG 4.35Å |
| 131 | G | 94 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 75.4 | 25 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D128 G148 V149 | D128-G131 PolarHBondContact O-N 2.76Å; D128-G131 VanDerWaalsContact O-N 3.13Å; D128-G131 PolarHBondContact OD1-N 1.97Å; G131-G148 PolarHBondContact O-N 2.75Å; G131-V149 WeakPolarHBondContact CA-O 3.43Å; G131-V149 WeakPolarHBondContact O-CB 3.37Å; G131-V149 PolarHBondContact O-N 2.92Å |
| 132 | R | 96.6 | Very high | 92.3 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 25% | 0.253 | 23% | 0.225 | S | C | . | . | trans | -98.3 | 122.9 | 176.8 | -61.8 | -177.8 | -60.6 | 175.3 | 3.4 | 110.4 | V127 D128 R130 F134 L144 R146 E147 | V127-R132 WeakPolarHBondContact CA-O 3.16Å; D128-R132 PolarHBondContact N-O 2.79Å; D128-R132 WeakPolarHBondContact OD1-CB 3.45Å; D128-R132 PolarHBondContact OD1-N 3.22Å; D128-R132 IonicContact OD1-NE 3.11Å; D128-R132 IonicContact OD2-CZ 3.48Å; D128-R132 VanDerWaalsContact OD2-CZ 3.26Å; D128-R132 IonicContact OD2-NE 2.69Å; D128-R132 PolarHBondContact OD2-NE 3.43Å; D128-R132 IonicContact OD2-NH2 2.66Å; D128-R132 PolarHBondContact OD2-NH2 2.77Å; R130-R132 HydrophobicContact CB-CG 4.35Å; R132-F134 HydrophobicContact CB-CD2 4.24Å; R132-F134 HydrophobicContact CB-CE2 3.53Å; R132-F134 HydrophobicContact CB-CZ 3.94Å; R132-F134 WeakPolarHBondContact O-CD2 3.46Å; R132-L144 HydrophobicContact CB-CD1 3.73Å; R132-L144 HydrophobicContact CG-CD1 4.25Å; R132-R146 CarbonylContact C-O 3.47Å; R132-R146 WeakPolarHBondContact CA-O 3.48Å; R132-E147 WeakPolarHBondContact CD-OE1 3.32Å; R132-E147 HydrophobicContact CG-CG 4.12Å | ||
| 133 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.6 | 174.2 | 173.4 | 58.1 | 0 | 0 | 0 | 109.5 | F80 F125 V127 L145 R146 V149 | F80-L133 HydrophobicContact CD2-CD1 3.69Å; F80-L133 HydrophobicContact CE2-CD1 3.48Å; F80-L133 VanDerWaalsContact CE2-CD1 3.48Å; F125-L133 HydrophobicContact CD2-CD1 4.22Å; V127-L133 HydrophobicContact CG2-CB 4.2Å; V127-L133 HydrophobicContact CG2-CD1 4.1Å; L133-L145 HydrophobicContact CD2-CB 4.11Å; L133-L145 HydrophobicContact CD2-CD1 4.35Å; L133-L145 HydrophobicContact CG-CB 3.96Å; L133-L145 HydrophobicContact CG-CD1 4.21Å; L133-L145 PolarHBondContact O-N 2.72Å; L133-R146 HydrophobicContact CB-CB 4.08Å; L133-R146 HydrophobicContact CD2-CB 4.21Å; L133-R146 PolarHBondContact N-O 3.48Å; L133-R146 PolarHBondContact O-N 2.97Å; L133-V149 HydrophobicContact CB-CG2 4.19Å |
| 134 | F | 96.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 151.6 | 174.6 | -67.4 | -80.8 | 0 | 0 | 0 | 111.6 | F125 W126 D128 R132 R142 F143 L144 | F125-F134 CarbonylContact C-O 3.57Å; F125-F134 WeakPolarHBondContact CA-O 3.32Å; F125-F134 WeakPolarHBondContact CB-O 3.38Å; W126-F134 HydrophobicContact CD2-CB 4.09Å; W126-F134 HydrophobicContact CE3-CB 4.37Å; W126-F134 HydrophobicContact CH2-CB 3.87Å; W126-F134 HydrophobicContact CZ2-CB 3.56Å; W126-F134 HydrophobicContact CZ2-CD2 4.41Å; W126-F134 HydrophobicContact CZ2-CG 4.09Å; W126-F134 HydrophobicContact CZ3-CB 4.26Å; W126-F134 PolarHBondContact N-O 3.33Å; W126-F134 AromaticContact NE1-CD2 3.91Å; W126-F134 PolarHBondContact O-N 2.84Å; D128-F134 HydrophobicContact CB-CE2 4.27Å; R132-F134 HydrophobicContact CB-CD2 4.24Å; R132-F134 HydrophobicContact CB-CE2 3.53Å; R132-F134 HydrophobicContact CB-CZ 3.94Å; R132-F134 WeakPolarHBondContact O-CD2 3.46Å; F134-R142 HydrophobicContact CD1-CB 4.47Å; F134-R142 HydrophobicContact CD1-CG 3.97Å; F134-R142 HydrophobicContact CE1-CG 4.31Å; F134-F143 CarbonylContact C-O 3.42Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; F134-F143 WeakPolarHBondContact CD1-O 3.33Å; F134-L144 HydrophobicContact CD1-CB 4.17Å; F134-L144 HydrophobicContact CD1-CD1 4.18Å; F134-L144 HydrophobicContact CE1-CB 3.85Å; F134-L144 HydrophobicContact CE1-CD1 3.73Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.43Å; F134-L144 HydrophobicContact CZ-CD1 3.87Å |
| 135 | A | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L112 R124 F125 R142 F143 L145 | L112-A135 HydrophobicContact CD2-CB 3.66Å; R124-A135 CarbonylContact O-C 3.6Å; R124-A135 WeakPolarHBondContact O-CA 3.42Å; F125-A135 HydrophobicContact CB-CB 4.03Å; A135-R142 CarbonylContact O-C 3.54Å; A135-R142 VanDerWaalsContact O-CA 3.25Å; A135-R142 WeakPolarHBondContact O-CA 3.25Å; A135-F143 PolarHBondContact N-O 3.02Å; A135-F143 PolarHBondContact O-N 2.58Å; A135-L145 HydrophobicContact CB-CD1 3.49Å; A135-L145 VanDerWaalsContact CB-CD1 3.49Å; A135-L145 HydrophobicContact CB-CD2 4.49Å; A135-L145 HydrophobicContact CB-CG 3.99Å |
| 136 | K | 92.8 | Very high | 91 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 132.2 | 173.6 | 170.2 | 168.1 | 169.7 | 137.4 | 0 | 108.4 | V123 R124 W126 N138 A139 G140 | V123-K136 CarbonylContact C-O 3.55Å; R124-K136 PolarHBondContact N-O 3.1Å; R124-K136 PolarHBondContact O-N 2.7Å; W126-K136 HydrophobicContact CH2-CB 4.24Å; W126-K136 HydrophobicContact CZ3-CB 4.05Å; K136-N138 WeakPolarHBondContact CE-O 3.31Å; K136-A139 PolarHBondContact NZ-O 3.11Å; K136-A139 VanDerWaalsContact NZ-O 3.16Å; K136-G140 VanDerWaalsContact CD-O 3.31Å; K136-G140 WeakPolarHBondContact CD-O 3.41Å; K136-G140 WeakPolarHBondContact CE-O 3.42Å; K136-G140 WeakPolarHBondContact CG-O 3.31Å; K136-G140 PolarHBondContact NZ-O 3.46Å |
| 137 | V | 91 | Very high | 90.8 | Very high | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.3 | 174.8 | -172 | 0 | 0 | 0 | 0 | 109.4 | C116 A117 D121 V123 A139 G140 F143 | C116-V137 WeakPolarHBondContact O-CB 3.22Å; C116-V137 WeakPolarHBondContact O-CG1 3.41Å; C116-V137 WeakPolarHBondContact O-CG2 3Å; A117-V137 HydrophobicContact CB-CG1 4.41Å; A117-V137 HydrophobicContact CB-CG2 4.27Å; D121-V137 HydrophobicContact CB-CG1 3.72Å; V123-V137 HydrophobicContact CG1-CG2 4.46Å; V123-V137 HydrophobicContact CG2-CG2 4.1Å; V137-A139 PolarHBondContact O-N 2.96Å; V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 2.75Å; V137-F143 HydrophobicContact CG2-CE2 4.27Å |
| 138 | N | 90.4 | Very high | 90.6 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | -131 | -177.4 | -61.2 | -34.1 | 0 | 0 | 0 | 112.3 | D121 V122 K136 G140 | D121-N138 VanDerWaalsContact CG-ND2 3.26Å; D121-N138 PolarHBondContact OD1-ND2 2.86Å; V122-N138 PolarHBondContact N-OD1 2.84Å; V122-N138 PolarHBondContact O-N 2.91Å; K136-N138 WeakPolarHBondContact CE-O 3.31Å; N138-G140 VanDerWaalsContact C-N 3.31Å |
| 139 | A | 81.6 | Confident | 90.7 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 70% | 0.702 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | K136 V137 | K136-A139 PolarHBondContact NZ-O 3.11Å; K136-A139 VanDerWaalsContact NZ-O 3.16Å; V137-A139 PolarHBondContact O-N 2.96Å |
| 140 | G | 76.6 | Confident | 90.6 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -66.5 | -173.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K136 V137 N138 | K136-G140 VanDerWaalsContact CD-O 3.31Å; K136-G140 WeakPolarHBondContact CD-O 3.41Å; K136-G140 WeakPolarHBondContact CE-O 3.42Å; K136-G140 WeakPolarHBondContact CG-O 3.31Å; K136-G140 PolarHBondContact NZ-O 3.46Å; V137-G140 WeakPolarHBondContact O-CA 3.46Å; V137-G140 PolarHBondContact O-N 2.75Å; N138-G140 VanDerWaalsContact C-N 3.31Å |
| 141 | C | 76 | Confident | 90.5 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 10% | 0.095 | 25% | 0.254 | C | S | . | . | trans | -69.7 | 159.2 | 178.1 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | C225 | C141-C225 WeakPolarHBondContact CA-SG 3.34Å; C141-C225 HydrophobicContact CB-CB 3.4Å; C141-C225 WeakPolarHBondContact CB-SG 3.42Å; C141-C225 PolarHBondContact N-SG 2.92Å; C141-C225 WeakPolarHBondContact SG-CB 3.48Å; C141-C225 CovalentContact SG-SG 1.97Å; C141-C225 PolarHBondContact SG-SG 3.32Å | ||
| 142 | R | 84.2 | Confident | 90.3 | Very high | 117 Ų | 117 | 49.8 Ų | 49.8 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.2 | 161.5 | 89.2 | -176.7 | 83.2 | -175 | 6.2 | 108.9 | W126 F134 A135 | W126-R142 HydrophobicContact CH2-CB 4.18Å; F134-R142 HydrophobicContact CD1-CB 4.47Å; F134-R142 HydrophobicContact CD1-CG 3.97Å; F134-R142 HydrophobicContact CE1-CG 4.31Å; A135-R142 CarbonylContact O-C 3.54Å; A135-R142 VanDerWaalsContact O-CA 3.25Å; A135-R142 WeakPolarHBondContact O-CA 3.25Å |
| 143 | F | 82.9 | Confident | 90.1 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.6 | 169.2 | -48.5 | -71 | 0 | 0 | 0 | 107.3 | P113 F134 A135 V137 L145 | P113-F143 HydrophobicContact CG-CG 4.47Å; F134-F143 CarbonylContact C-O 3.42Å; F134-F143 WeakPolarHBondContact CA-O 3.48Å; F134-F143 WeakPolarHBondContact CD1-O 3.33Å; A135-F143 PolarHBondContact N-O 3.02Å; A135-F143 PolarHBondContact O-N 2.58Å; V137-F143 HydrophobicContact CG2-CE2 4.27Å; F143-L145 HydrophobicContact CB-CD2 4.38Å; F143-L145 PolarHBondContact O-N 2.75Å |
| 144 | L | 90.8 | Very high | 90 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 116.4 | 161.8 | 178.5 | 64.4 | 0 | 0 | 0 | 106.8 | R132 F134 E147 | R132-L144 HydrophobicContact CB-CD1 3.73Å; R132-L144 HydrophobicContact CG-CD1 4.25Å; F134-L144 HydrophobicContact CD1-CB 4.17Å; F134-L144 HydrophobicContact CD1-CD1 4.18Å; F134-L144 HydrophobicContact CE1-CB 3.85Å; F134-L144 HydrophobicContact CE1-CD1 3.73Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.43Å; F134-L144 HydrophobicContact CZ-CD1 3.87Å; L144-E147 HydrophobicContact CD1-CG 4.12Å; L144-E147 HydrophobicContact CD2-CG 3.91Å; L144-E147 HydrophobicContact CG-CG 4.37Å |
| 145 | L | 92.1 | Very high | 90.1 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -40 | 179.7 | -69.1 | -179.8 | 0 | 0 | 0 | 111.3 | V78 A110 L112 L133 A135 F143 | V78-L145 HydrophobicContact CG2-CD1 3.53Å; A110-L145 HydrophobicContact CB-CB 3.87Å; A110-L145 HydrophobicContact CB-CD2 4.38Å; L112-L145 HydrophobicContact CD2-CD1 4.16Å; L112-L145 HydrophobicContact CD2-CD2 4.44Å; L133-L145 HydrophobicContact CD2-CB 4.11Å; L133-L145 HydrophobicContact CD2-CD1 4.35Å; L133-L145 HydrophobicContact CG-CB 3.96Å; L133-L145 HydrophobicContact CG-CD1 4.21Å; L133-L145 PolarHBondContact O-N 2.72Å; A135-L145 HydrophobicContact CB-CD1 3.49Å; A135-L145 VanDerWaalsContact CB-CD1 3.49Å; A135-L145 HydrophobicContact CB-CD2 4.49Å; A135-L145 HydrophobicContact CB-CG 3.99Å; F143-L145 HydrophobicContact CB-CD2 4.38Å; F143-L145 PolarHBondContact O-N 2.75Å |
| 146 | R | 93.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 153.1 | -177.4 | -158 | 154.8 | -160.5 | 144.2 | -5.7 | 112.7 | E102 A109 R132 L133 | E102-R146 IonicContact OE1-CZ 2.87Å; E102-R146 IonicContact OE1-NE 3.85Å; E102-R146 PolarHBondContact OE1-NE 2.74Å; E102-R146 IonicContact OE1-NH1 3.24Å; E102-R146 PolarHBondContact OE1-NH1 3.27Å; E102-R146 IonicContact OE1-NH2 2.87Å; E102-R146 PolarHBondContact OE1-NH2 3.34Å; E102-R146 IonicContact OE2-CZ 3.04Å; E102-R146 IonicContact OE2-NH1 2.76Å; E102-R146 PolarHBondContact OE2-NH1 3.48Å; E102-R146 IonicContact OE2-NH2 2.66Å; E102-R146 PolarHBondContact OE2-NH2 2.73Å; A109-R146 PolarHBondContact O-NH1 2.94Å; R132-R146 CarbonylContact C-O 3.47Å; R132-R146 WeakPolarHBondContact CA-O 3.48Å; L133-R146 HydrophobicContact CB-CB 4.08Å; L133-R146 HydrophobicContact CD2-CB 4.21Å; L133-R146 PolarHBondContact N-O 3.48Å; L133-R146 PolarHBondContact O-N 2.97Å |
| 147 | E | 94.1 | Very high | 90.5 | Very high | 118 Ų | 118 | 50 Ų | 50 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -116.5 | 167 | 170.7 | -58.2 | -160.1 | 138.7 | 0 | 0 | 110.8 | R132 L144 | R132-E147 WeakPolarHBondContact CD-OE1 3.32Å; R132-E147 HydrophobicContact CG-CG 4.12Å; L144-E147 HydrophobicContact CD1-CG 4.12Å; L144-E147 HydrophobicContact CD2-CG 3.91Å; L144-E147 HydrophobicContact CG-CG 4.37Å |
| 148 | G | 93.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | trans | 81.8 | 16.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G131 P150 | G131-G148 PolarHBondContact O-N 2.75Å; G148-P150 WeakPolarHBondContact O-CD 3.32Å | ||
| 149 | V | 96.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | trans | -69 | 115.4 | 172.3 | -172.7 | 0 | 0 | 0 | 0 | 109 | W108 V127 G131 L133 V151 L155 | W108-V149 HydrophobicContact CB-CG2 3.77Å; W108-V149 HydrophobicContact CD2-CG1 4.32Å; W108-V149 HydrophobicContact CE3-CG1 4.13Å; W108-V149 HydrophobicContact CG-CG2 4.04Å; V127-V149 HydrophobicContact CG1-CB 4.18Å; V127-V149 HydrophobicContact CG1-CG1 4.22Å; V127-V149 HydrophobicContact CG2-CB 4.24Å; V127-V149 HydrophobicContact CG2-CG1 4.02Å; V127-V149 HydrophobicContact CG2-CG2 4.18Å; G131-V149 WeakPolarHBondContact CA-O 3.43Å; G131-V149 WeakPolarHBondContact O-CB 3.37Å; G131-V149 PolarHBondContact O-N 2.92Å; L133-V149 HydrophobicContact CB-CG2 4.19Å; V149-V151 PolarHBondContact O-N 2.8Å; V149-V151 VanDerWaalsContact O-N 3.1Å; V149-L155 HydrophobicContact CG1-CD1 3.93Å; V149-L155 HydrophobicContact CG1-CD2 4.44Å | ||
| 150 | P | 93.6 | Very high | 92 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 31% | 0.312 | 25% | 0.254 | S | S | . | . | trans | -69.6 | 112.3 | -173.6 | -23.4 | 37.1 | 0 | 0 | 0 | 111.7 | R82 W108 G148 | R82-P150 VanDerWaalsContact NH2-CB 3.33Å; R82-P150 PolarHBondContact NH2-O 2.89Å; W108-P150 HydrophobicContact CH2-CG 3.66Å; W108-P150 HydrophobicContact CZ2-CG 3.42Å; W108-P150 VanDerWaalsContact CZ2-CG 3.42Å; W108-P150 HydrophobicContact CZ3-CG 4.48Å; G148-P150 WeakPolarHBondContact O-CD 3.32Å | ||
| 151 | V | 91.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | trans | -83.9 | 147 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | L57 V127 V149 | L57-V151 HydrophobicContact CD1-CB 3.98Å; L57-V151 HydrophobicContact CD1-CG1 4.27Å; L57-V151 HydrophobicContact CD2-CB 4.15Å; L57-V151 HydrophobicContact CD2-CG1 3.69Å; V127-V151 HydrophobicContact CG1-CG1 4.16Å; V149-V151 PolarHBondContact O-N 2.8Å; V149-V151 VanDerWaalsContact O-N 3.1Å | ||
| 152 | G | 89.4 | Confident | 93.6 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 77% | 0.773 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 117 | -3.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 153 | A | 92.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -128.9 | 164.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 154 | P | 96.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 51% | 0.506 | 23% | 0.231 | S | C | . | . | trans | -54.8 | 139.6 | 173.1 | -25.7 | 36 | 0 | 0 | 0 | 112 | P54 W156 | P54-P154 HydrophobicContact CB-CB 4.04Å; P54-P154 HydrophobicContact CG-CB 4.09Å; P154-W156 HydrophobicContact CB-CE3 4.47Å; P154-W156 HydrophobicContact CB-CH2 3.9Å; P154-W156 HydrophobicContact CB-CZ3 3.7Å | ||
| 155 | L | 97.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 135.1 | 174.6 | -70.3 | 172.5 | 0 | 0 | 0 | 108.5 | P54 V55 L57 F80 T81 R82 V149 | P54-L155 CarbonylContact C-O 3.53Å; P54-L155 VanDerWaalsContact CA-O 3.3Å; P54-L155 WeakPolarHBondContact CA-O 3.48Å; V55-L155 PolarHBondContact N-O 3.17Å; L57-L155 HydrophobicContact CD2-CD1 4.36Å; F80-L155 HydrophobicContact CB-CB 4.31Å; F80-L155 HydrophobicContact CB-CD1 4.41Å; F80-L155 HydrophobicContact CB-CD2 4.38Å; F80-L155 HydrophobicContact CD1-CB 4.12Å; T81-L155 CarbonylContact O-C 3.42Å; T81-L155 WeakPolarHBondContact O-CA 3.16Å; R82-L155 HydrophobicContact CG-CD2 3.77Å; V149-L155 HydrophobicContact CG1-CD1 3.93Å; V149-L155 HydrophobicContact CG1-CD2 4.44Å |
| 156 | W | 98.4 | Very high | 94 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 145 | 169.1 | -72.1 | -109.5 | 0 | 0 | 0 | 109 | R53 P54 F80 T81 D84 P85 P154 | R53-W156 VanDerWaalsContact C-CD1 3.4Å; P54-W156 HydrophobicContact CG-CD2 4.26Å; P54-W156 HydrophobicContact CG-CH2 4.01Å; P54-W156 HydrophobicContact CG-CZ2 3.53Å; F80-W156 CarbonylContact C-O 3.52Å; F80-W156 WeakPolarHBondContact CA-O 3.44Å; T81-W156 HydrophobicContact CG2-CB 4.09Å; T81-W156 PolarHBondContact N-O 3.26Å; T81-W156 PolarHBondContact O-N 2.97Å; D84-W156 HydrophobicContact CB-CH2 3.77Å; D84-W156 HydrophobicContact CB-CZ2 3.77Å; D84-W156 HydrophobicContact CB-CZ3 4.35Å; P85-W156 VanDerWaalsContact CD-NE1 3.3Å; P85-W156 HydrophobicContact CG-CB 4.33Å; P85-W156 HydrophobicContact CG-CG 4.02Å; P154-W156 HydrophobicContact CB-CE3 4.47Å; P154-W156 HydrophobicContact CB-CH2 3.9Å; P154-W156 HydrophobicContact CB-CZ3 3.7Å |
| 157 | A | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 137 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F50 S51 V55 V61 F80 F125 M159 | F50-A157 CarbonylContact C-O 3.58Å; F50-A157 VanDerWaalsContact CA-O 3.26Å; F50-A157 WeakPolarHBondContact CA-O 3.42Å; S51-A157 PolarHBondContact N-O 3.35Å; S51-A157 PolarHBondContact OG-N 2.86Å; V55-A157 HydrophobicContact CG2-CB 4Å; V61-A157 HydrophobicContact CG1-CB 4.36Å; V61-A157 HydrophobicContact CG2-CB 3.88Å; F80-A157 HydrophobicContact CE1-CB 4.26Å; F125-A157 HydrophobicContact CE2-CB 4.18Å; F125-A157 HydrophobicContact CZ-CB 4.02Å; A157-M159 HydrophobicContact CB-SD 3.87Å |
| 158 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.9 | 171.8 | 63 | 0 | 0 | 0 | 0 | 109 | I48 V49 F50 G79 T81 V97 L101 T107 | I48-V158 HydrophobicContact CG2-CG2 3.97Å; V49-V158 WeakPolarHBondContact O-CA 3.31Å; F50-V158 HydrophobicContact CD1-CB 3.93Å; F50-V158 HydrophobicContact CD1-CG2 3.81Å; F50-V158 HydrophobicContact CE1-CB 4.02Å; F50-V158 HydrophobicContact CE1-CG2 3.53Å; F50-V158 HydrophobicContact CZ-CG2 4.15Å; G79-V158 PolarHBondContact N-O 3Å; G79-V158 PolarHBondContact O-N 3Å; T81-V158 HydrophobicContact CG2-CB 4.31Å; V97-V158 HydrophobicContact CG1-CG1 4.41Å; V97-V158 HydrophobicContact CG1-CG2 4.37Å; V97-V158 HydrophobicContact CG2-CG2 3.85Å; L101-V158 HydrophobicContact CD2-CG2 4.24Å; T107-V158 HydrophobicContact CG2-CG1 4Å |
| 159 | M | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.6 | 177.7 | -61.7 | 75.4 | 75.8 | 0 | 0 | 109.3 | F20 I48 V49 L63 L76 R77 V78 F125 A157 I168 L170 | F20-M159 HydrophobicContact CD1-CE 3.9Å; F20-M159 HydrophobicContact CE1-CE 3.37Å; F20-M159 HydrophobicContact CZ-CE 4.42Å; I48-M159 CarbonylContact C-O 3.59Å; I48-M159 WeakPolarHBondContact CA-O 3.47Å; V49-M159 HydrophobicContact CG2-CB 3.78Å; V49-M159 HydrophobicContact CG2-CE 4.14Å; V49-M159 PolarHBondContact N-O 3.1Å; V49-M159 PolarHBondContact O-N 3.09Å; L63-M159 HydrophobicContact CD1-CG 3.92Å; L63-M159 HydrophobicContact CD2-CE 4.3Å; L76-M159 HydrophobicContact CD1-CB 4.48Å; R77-M159 CarbonylContact O-C 3.54Å; R77-M159 VanDerWaalsContact O-CA 3.29Å; R77-M159 WeakPolarHBondContact O-CA 3.4Å; V78-M159 HydrophobicContact CG1-CG 4.18Å; F125-M159 HydrophobicContact CE1-CG 4.28Å; F125-M159 HydrophobicContact CE1-SD 4.24Å; F125-M159 HydrophobicContact CZ-CG 4.07Å; F125-M159 HydrophobicContact CZ-SD 3.62Å; A157-M159 HydrophobicContact CB-SD 3.87Å; M159-I168 HydrophobicContact CB-CD1 4.23Å; M159-L170 HydrophobicContact CE-CD1 4.44Å |
| 160 | D | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.6 | 173.7 | -160.6 | -10.5 | 0 | 0 | 0 | 108.7 | L76 R77 V97 Y162 | L76-D160 WeakPolarHBondContact CD1-O 3.49Å; R77-D160 HydrophobicContact CB-CB 3.78Å; R77-D160 HydrophobicContact CG-CB 4.14Å; R77-D160 IonicContact CZ-OD2 3.15Å; R77-D160 PolarHBondContact N-O 3.38Å; R77-D160 IonicContact NH1-OD2 2.77Å; R77-D160 PolarHBondContact NH1-OD2 2.98Å; R77-D160 PolarHBondContact O-N 2.88Å; V97-D160 HydrophobicContact CB-CB 4.04Å; V97-D160 HydrophobicContact CG2-CB 3.64Å; V97-D160 PolarHBondContact N-OD2 2.86Å; D160-Y162 PolarHBondContact O-N 2.87Å |
| 161 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -74.3 | 73.7 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | A38 R40 G47 T165 I168 | A38-V161 HydrophobicContact CB-CG2 4.43Å; R40-V161 HydrophobicContact CB-CB 4.28Å; R40-V161 HydrophobicContact CB-CG1 3.79Å; R40-V161 WeakPolarHBondContact CD-O 3.34Å; R40-V161 PolarHBondContact NE-O 2.96Å; G47-V161 PolarHBondContact O-N 3.26Å; V161-T165 HydrophobicContact CG1-CG2 4.38Å; V161-T165 WeakPolarHBondContact CG1-O 3.44Å; V161-I168 HydrophobicContact CG2-CD1 3.79Å; V161-I168 HydrophobicContact CG2-CG1 3.88Å | ||
| 162 | Y | 90.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | trans | -111.2 | 153.3 | -165.6 | 173.3 | -93.5 | 0 | 0 | 0 | 113 | F44 R77 F96 D160 T164 T165 | F44-Y162 HydrophobicContact CD2-CE2 4.07Å; F44-Y162 WeakPolarHBondContact O-CD2 3.46Å; F44-Y162 WeakPolarHBondContact O-CE2 3.45Å; R77-Y162 VanDerWaalsContact NH2-CZ 3.26Å; F96-Y162 AromaticContact CD1-CD2 3.85Å; F96-Y162 HydrophobicContact CD1-CD2 3.85Å; F96-Y162 AromaticContact CD1-CE2 3.85Å; F96-Y162 HydrophobicContact CD1-CE2 3.85Å; F96-Y162 AromaticContact CE1-CD2 3.83Å; F96-Y162 HydrophobicContact CE1-CD2 3.83Å; F96-Y162 AromaticContact CE1-CE2 3.52Å; F96-Y162 HydrophobicContact CE1-CE2 3.52Å; D160-Y162 PolarHBondContact O-N 2.87Å; Y162-T164 PolarHBondContact O-N 3.08Å; Y162-T165 WeakPolarHBondContact O-CB 3.32Å; Y162-T165 PolarHBondContact O-N 2.92Å; Y162-T165 VanDerWaalsContact O-N 3.14Å | ||
| 163 | G | 85.2 | Confident | 93.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -128.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R40 T165 | R40-G163 PolarHBondContact NH2-O 2.96Å; G163-T165 PolarHBondContact O-N 3.44Å |
| 164 | T | 85.7 | Confident | 91.7 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 26% | 0.264 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26 | 179.3 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | E68 E69 W72 G74 Y162 K166 | E68-T164 CarbonylContact C-O 3.49Å; E68-T164 WeakPolarHBondContact CA-O 3.35Å; E68-T164 WeakPolarHBondContact CB-O 3.25Å; E69-T164 PolarHBondContact N-O 3.02Å; W72-T164 WeakPolarHBondContact O-CG2 3.25Å; G74-T164 PolarHBondContact O-N 3.23Å; G74-T164 PolarHBondContact O-OG1 3.22Å; Y162-T164 PolarHBondContact O-N 3.08Å; T164-K166 PolarHBondContact O-N 2.83Å |
| 165 | T | 91.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.2 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | L76 V161 Y162 G163 I168 | L76-T165 HydrophobicContact CB-CG2 4.2Å; L76-T165 PolarHBondContact N-OG1 2.82Å; V161-T165 HydrophobicContact CG1-CG2 4.38Å; V161-T165 WeakPolarHBondContact CG1-O 3.44Å; Y162-T165 WeakPolarHBondContact O-CB 3.32Å; Y162-T165 PolarHBondContact O-N 2.92Å; Y162-T165 VanDerWaalsContact O-N 3.14Å; G163-T165 PolarHBondContact O-N 3.44Å; T165-I168 HydrophobicContact CG2-CG2 3.63Å |
| 166 | K | 94.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -32.1 | -177.8 | -164.9 | 68.3 | 164.6 | -171.8 | 0 | 112.9 | H39 R40 R41 R67 E69 T164 | H39-K166 WeakPolarHBondContact CA-O 3.33Å; R40-K166 PolarHBondContact N-O 3.31Å; R40-K166 VanDerWaalsContact O-CD 3.26Å; R40-K166 WeakPolarHBondContact O-CD 3.29Å; R40-K166 WeakPolarHBondContact O-CE 3.2Å; R40-K166 PolarHBondContact O-NZ 2.9Å; R41-K166 PolarHBondContact O-NZ 3.38Å; R41-K166 VanDerWaalsContact O-NZ 3.12Å; R67-K166 HydrophobicContact CB-CB 4.16Å; R67-K166 HydrophobicContact CG-CB 4.08Å; R67-K166 HydrophobicContact CG-CG 4.39Å; R67-K166 WeakPolarHBondContact O-CB 3.42Å; R67-K166 PolarHBondContact O-N 2.95Å; E69-K166 HydrophobicContact CB-CB 4.38Å; E69-K166 HydrophobicContact CB-CD 4.19Å; E69-K166 VanDerWaalsContact CD-NZ 3.31Å; E69-K166 IonicContact OE1-NZ 3.26Å; E69-K166 PolarHBondContact OE1-NZ 2.98Å; E69-K166 VanDerWaalsContact OE1-NZ 3.15Å; E69-K166 WeakPolarHBondContact OE2-CD 3.45Å; E69-K166 WeakPolarHBondContact OE2-CE 3.49Å; E69-K166 IonicContact OE2-NZ 2.94Å; E69-K166 PolarHBondContact OE2-NZ 2.95Å; T164-K166 PolarHBondContact O-N 2.83Å |
| 167 | T | 97.5 | Very high | 84.9 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 133.6 | -177.2 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | T37 A38 H39 L66 R67 | T37-T167 HydrophobicContact CG2-CG2 3.61Å; A38-T167 WeakPolarHBondContact O-CA 3.48Å; A38-T167 WeakPolarHBondContact O-CG2 3.19Å; H39-T167 HydrophobicContact CB-CG2 4.17Å; H39-T167 PolarHBondContact CD2-OG1 2.92Å; L66-T167 HydrophobicContact CB-CG2 3.89Å; L66-T167 HydrophobicContact CD1-CG2 4.05Å; L66-T167 HydrophobicContact CG-CG2 4.45Å; L66-T167 PolarHBondContact N-O 3.02Å; R67-T167 PolarHBondContact N-O 2.89Å; R67-T167 PolarHBondContact O-N 3.16Å; R67-T167 VanDerWaalsContact O-N 3.14Å |
| 168 | I | 98.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.4 | 175.8 | 60.1 | 171.4 | 0 | 0 | 0 | 111 | F20 T37 A38 V49 L63 R64 L76 M159 V161 T165 | F20-I168 HydrophobicContact CE1-CD1 4.07Å; F20-I168 HydrophobicContact CZ-CD1 3.89Å; F20-I168 HydrophobicContact CZ-CG1 3.89Å; T37-I168 WeakPolarHBondContact CA-O 2.98Å; A38-I168 HydrophobicContact CB-CG1 4.13Å; A38-I168 PolarHBondContact N-O 2.85Å; A38-I168 PolarHBondContact O-N 2.77Å; V49-I168 HydrophobicContact CG2-CD1 4.42Å; L63-I168 HydrophobicContact CD1-CD1 4.45Å; L63-I168 HydrophobicContact CD2-CD1 4.38Å; R64-I168 CarbonylContact O-C 3.49Å; R64-I168 WeakPolarHBondContact O-CA 3.41Å; L76-I168 HydrophobicContact CD1-CD1 4.22Å; L76-I168 HydrophobicContact CD1-CG2 4.18Å; L76-I168 HydrophobicContact CD2-CG2 4.23Å; M159-I168 HydrophobicContact CB-CD1 4.23Å; V161-I168 HydrophobicContact CG2-CD1 3.79Å; V161-I168 HydrophobicContact CG2-CG1 3.88Å; T165-I168 HydrophobicContact CG2-CG2 3.63Å |
| 169 | E | 98.2 | Very high | 79.4 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129 | 176.9 | 175.9 | -173.2 | -147.4 | 0 | 0 | 110.7 | C36 L63 R64 L66 L171 | C36-E169 CarbonylContact O-C 3.55Å; C36-E169 VanDerWaalsContact O-CA 3.22Å; C36-E169 WeakPolarHBondContact O-CA 3.5Å; L63-E169 CarbonylContact C-O 3.53Å; L63-E169 WeakPolarHBondContact CA-O 3.4Å; R64-E169 HydrophobicContact CB-CB 4.42Å; R64-E169 PolarHBondContact N-O 2.94Å; R64-E169 IonicContact NH1-OE2 3.33Å; R64-E169 PolarHBondContact O-N 2.95Å; L66-E169 HydrophobicContact CD1-CB 3.75Å; L66-E169 HydrophobicContact CD2-CB 4.47Å; L66-E169 HydrophobicContact CG-CB 4.06Å; E169-L171 HydrophobicContact CG-CD2 4.02Å; E169-L171 WeakPolarHBondContact OE2-CD2 3.5Å |
| 170 | L | 97.7 | Very high | 76.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 119.9 | 167.7 | -86 | 167.9 | 0 | 0 | 0 | 110 | L18 F20 C36 V61 L63 M159 | L18-L170 HydrophobicContact CB-CD2 4.46Å; L18-L170 HydrophobicContact CD2-CD2 3.89Å; L18-L170 HydrophobicContact CG-CD1 4.45Å; L18-L170 HydrophobicContact CG-CD2 4.48Å; F20-L170 HydrophobicContact CD1-CD1 3.68Å; F20-L170 HydrophobicContact CD1-CG 4.46Å; F20-L170 HydrophobicContact CD2-CD1 4.06Å; F20-L170 HydrophobicContact CE1-CD1 3.65Å; F20-L170 HydrophobicContact CE1-CG 3.95Å; F20-L170 HydrophobicContact CE2-CB 4.35Å; F20-L170 HydrophobicContact CE2-CD1 4.01Å; F20-L170 HydrophobicContact CE2-CG 4.08Å; F20-L170 HydrophobicContact CG-CD1 3.89Å; F20-L170 HydrophobicContact CZ-CB 4.4Å; F20-L170 HydrophobicContact CZ-CD1 3.8Å; F20-L170 HydrophobicContact CZ-CG 3.71Å; C36-L170 PolarHBondContact O-N 3.19Å; V61-L170 HydrophobicContact CG1-CD2 3.64Å; L63-L170 HydrophobicContact CD2-CD2 3.47Å; L63-L170 VanDerWaalsContact CD2-CD2 3.47Å; L63-L170 HydrophobicContact CD2-CG 3.75Å; M159-L170 HydrophobicContact CE-CD1 4.44Å |
| 171 | L | 95.1 | Very high | 73.6 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | trans | -93.4 | 137.5 | 177.5 | -59 | -177.2 | 0 | 0 | 0 | 110.8 | V62 R64 V122 E169 P173 | V62-L171 HydrophobicContact CB-CB 4.16Å; V62-L171 HydrophobicContact CG1-CB 3.94Å; V62-L171 HydrophobicContact CG1-CD1 3.96Å; V62-L171 HydrophobicContact CG1-CG 4.34Å; V62-L171 PolarHBondContact O-N 3.16Å; R64-L171 HydrophobicContact CB-CD1 4.14Å; R64-L171 HydrophobicContact CB-CD2 4.33Å; R64-L171 HydrophobicContact CB-CG 4.27Å; V122-L171 HydrophobicContact CG1-CD1 4.09Å; V122-L171 HydrophobicContact CG2-CD1 4.22Å; E169-L171 HydrophobicContact CG-CD2 4.02Å; E169-L171 WeakPolarHBondContact OE2-CD2 3.5Å; L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.42Å | ||
| 172 | D | 83.7 | Confident | 70.7 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 31% | 0.31 | 40% | 0.397 | S | S | . | . | trans | -75.7 | 115.4 | 168.9 | -177.9 | -3.7 | 0 | 0 | 0 | 109.9 | A17 T174 A175 | A17-D172 HydrophobicContact CB-CB 3.98Å; D172-T174 PolarHBondContact O-N 3.35Å; D172-T174 PolarHBondContact OD1-N 2.75Å; D172-T174 PolarHBondContact OD1-OG1 2.66Å; D172-A175 HydrophobicContact CB-CB 3.82Å; D172-A175 PolarHBondContact O-N 2.69Å | ||
| 173 | P | 65.5 | Low | 68.4 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -60.8 | -27.5 | 176.6 | -19.4 | 32.5 | 0 | 0 | 0 | 113 | V62 L171 S176 | V62-P173 HydrophobicContact CG2-CG 4.18Å; L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.42Å; P173-S176 PolarHBondContact O-OG 2.73Å |
| 174 | T | 61.4 | Low | 65.9 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -88.5 | -18.9 | -175.5 | 33.9 | 0 | 0 | 0 | 0 | 114.6 | D172 S176 | D172-T174 PolarHBondContact O-N 3.35Å; D172-T174 PolarHBondContact OD1-N 2.75Å; D172-T174 PolarHBondContact OD1-OG1 2.66Å; T174-S176 PolarHBondContact O-N 3.06Å |
| 175 | A | 57.8 | Low | 63.4 | Low | 75 Ų | 75 | 87 Ų | 87 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 2.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D172 R177 | D172-A175 HydrophobicContact CB-CB 3.82Å; D172-A175 PolarHBondContact O-N 2.69Å; A175-R177 PolarHBondContact O-N 3.13Å |
| 176 | S | 46.3 | Very low | 61 | Low | 99 Ų | 99 | 94 Ų | 94 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 18.3 | -179.5 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | P173 T174 L178 | P173-S176 PolarHBondContact O-OG 2.73Å; T174-S176 PolarHBondContact O-N 3.06Å; S176-L178 PolarHBondContact O-N 3.03Å |
| 177 | R | 44.8 | Very low | 58.3 | Low | 234 Ų | 234 | 103.5 Ų | 103.5 | 88% | 0.883 | 55% | 0.55 | S | S | * | * | trans | -95.3 | 73.8 | 172.4 | -66.8 | -172 | 175.1 | -170 | -1.4 | 112.6 | A175 | A175-R177 PolarHBondContact O-N 3.13Š| ||
| 178 | L | 40.9 | Very low | 55.4 | Low | 147 Ų | 147 | 110 Ų | 110 | 77% | 0.77 | 59% | 0.585 | S | S | * | * | trans | 77.6 | 157 | 146.7 | -70.3 | 170.6 | 0 | 0 | 0 | 122.1 | S176 | S176-L178 PolarHBondContact O-N 3.03Š| ||
| 179 | P | 41.1 | Very low | 52.3 | Low | 122 Ų | 122 | 119.2 Ų | 119.2 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | cis | -128.2 | 161.3 | 20.3 | 29.6 | -6.8 | 0 | 0 | 0 | 120.6 | ||||
| 180 | T | 40.3 | Very low | 49.5 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 77% | 0.767 | 66% | 0.657 | S | S | * | * | trans | -32.9 | 150.5 | 167.5 | -18.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 181 | A | 33.3 | Very low | 46.6 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | cis | -154.2 | 153.2 | 27.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | M | 34.2 | Very low | 44.1 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | -138.2 | 152.7 | 82.2 | -78.9 | -66.4 | -148.6 | 0 | 0 | 113 | W184 | M182-W184 PolarHBondContact O-N 3.35Š| |||
| 183 | P | 43.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -84.7 | 109.9 | -177.7 | 12.8 | 5.2 | 0 | 0 | 0 | 111 | ||||
| 184 | W | 34.1 | Very low | 41.6 | Very low | 230 Ų | 230 | 133.1 Ų | 133.1 | 87% | 0.871 | 73% | 0.729 | S | S | * | * | trans | -98.3 | 98.8 | 145.1 | 167.2 | -88.3 | 0 | 0 | 0 | 106.7 | M182 | M182-W184 PolarHBondContact O-N 3.35Š| ||
| 185 | D | 32.8 | Very low | 41 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | -69 | 140 | 174.2 | -90.1 | -54 | 0 | 0 | 0 | 111.9 | ||||
| 186 | L | 40.2 | Very low | 40.7 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 59.1 | 61.3 | 133.9 | -59.5 | 166.1 | 0 | 0 | 0 | 117.9 | ||||
| 187 | R | 37.8 | Very low | 41.5 | Very low | 213 Ų | 213 | 133.5 Ų | 133.5 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -149.8 | 83.7 | 141.4 | -153 | 171.3 | -175.2 | -174.5 | 1.9 | 111.8 | ||
| 188 | N | 36.2 | Very low | 42 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | 147.2 | 83.6 | 151 | -73.5 | -14.1 | 0 | 0 | 0 | 108.1 | A190 | N188-A190 PolarHBondContact O-N 3.23Š| ||
| 189 | K | 33.9 | Very low | 43 | Very low | 193 Ų | 193 | 125 Ų | 125 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | -51.6 | 113.3 | 152.4 | -78.1 | -175.9 | 175.3 | 178.3 | 0 | 105.8 | V191 | K189-V191 PolarHBondContact O-N 3.48Š| ||
| 190 | A | 39.3 | Very low | 44.8 | Very low | 103 Ų | 103 | 125 Ų | 125 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | trans | -62.7 | 87.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | N188 A192 | N188-A190 PolarHBondContact O-N 3.23Å; A190-A192 PolarHBondContact O-N 3.06Å | ||
| 191 | V | 36.1 | Very low | 47.1 | Very low | 120 Ų | 120 | 123 Ų | 123 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122 | 160.7 | -177.4 | 0 | 0 | 0 | 0 | 104.8 | K189 E193 | K189-V191 PolarHBondContact O-N 3.48Å; V191-E193 PolarHBondContact O-N 3.45Å; V191-E193 VanDerWaalsContact O-N 3.07Å |
| 192 | A | 42.9 | Very low | 49.5 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 119.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A190 P194 | A190-A192 PolarHBondContact O-N 3.06Å; A192-P194 WeakPolarHBondContact O-CD 3.38Å; A192-P194 VanDerWaalsContact O-N 3.13Å |
| 193 | E | 47.2 | Very low | 52 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -59 | 123.4 | -175.5 | -72.4 | -143.7 | 154.9 | 0 | 0 | 109.4 | V191 N211 | V191-E193 PolarHBondContact O-N 3.45Å; V191-E193 VanDerWaalsContact O-N 3.07Å; E193-N211 PolarHBondContact OE1-ND2 3.1Å; E193-N211 VanDerWaalsContact OE1-ND2 3.1Å |
| 194 | P | 48.9 | Very low | 53.9 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141.3 | -179.2 | 20.4 | -23.8 | 0 | 0 | 0 | 109.4 | A192 A196 | A192-P194 WeakPolarHBondContact O-CD 3.38Å; A192-P194 VanDerWaalsContact O-N 3.13Å; P194-A196 PolarHBondContact O-N 3.29Å |
| 195 | K | 49.3 | Very low | 55.8 | Low | 178 Ų | 178 | 103 Ų | 103 | 77% | 0.774 | 58% | 0.583 | S | S | * | * | B | Isolated β-bridge | trans | -62.1 | 125.7 | 167.6 | -152.3 | 179.3 | -178.9 | -167.2 | 0 | 106.5 | ||
| 196 | A | 52.6 | Low | 58 | Low | 19 Ų | 19 | 104.6 Ų | 104.6 | 16% | 0.157 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -56.9 | 141.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P194 E201 A209 | P194-A196 PolarHBondContact O-N 3.29Å; A196-E201 HydrophobicContact CB-CG 3.82Å; A196-A209 HydrophobicContact CB-CB 4.12Å |
| 197 | T | 62.8 | Low | 59.4 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 150.8 | 162.8 | 47 | 0 | 0 | 0 | 0 | 108.9 | G199 E200 | T197-G199 PolarHBondContact O-N 2.96Å; T197-G199 VanDerWaalsContact O-N 3.15Å; T197-E200 PolarHBondContact O-N 2.87Å; T197-E200 VanDerWaalsContact O-N 3.12Å; T197-E200 PolarHBondContact OG1-OE2 2.88Å |
| 198 | P | 54 | Low | 61.2 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 81% | 0.812 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 121.4 | 175.9 | -23.5 | 33.6 | 0 | 0 | 0 | 110.7 | ||
| 199 | G | 62.5 | Low | 63.4 | Low | 77 Ų | 77 | 88.1 Ų | 88.1 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -12.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T197 | T197-G199 PolarHBondContact O-N 2.96Å; T197-G199 VanDerWaalsContact O-N 3.15Å |
| 200 | E | 79.4 | Confident | 66 | Low | 121 Ų | 121 | 80.6 Ų | 80.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | trans | -106.8 | 19.3 | 175.4 | -64.5 | -178.2 | -178.8 | 0 | 0 | 112.4 | T197 A209 A210 | T197-E200 PolarHBondContact O-N 2.87Å; T197-E200 VanDerWaalsContact O-N 3.12Å; T197-E200 PolarHBondContact OG1-OE2 2.88Å; E200-A209 CarbonylContact O-C 3.47Å; E200-A209 VanDerWaalsContact O-CA 3.25Å; E200-A209 WeakPolarHBondContact O-CA 3.44Å; E200-A210 PolarHBondContact O-N 2.91Å | ||
| 201 | E | 87.7 | Confident | 68.1 | Low | 84 Ų | 84 | 78 Ų | 78 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 146.6 | -172.1 | -64.9 | 171 | 163.8 | 0 | 0 | 112.2 | A196 A203 | A196-E201 HydrophobicContact CB-CG 3.82Å; E201-A203 PolarHBondContact O-N 3.26Å |
| 202 | C | 84.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | trans | -62.6 | 126.8 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | I204 C205 F206 H208 Y221 C223 C226 | C202-I204 PolarHBondContact O-N 2.79Å; C202-I204 PolarHBondContact SG-N 3.42Å; C202-I204 VanDerWaalsContact SG-N 3.44Å; C202-C205 PolarHBondContact O-N 3.15Å; C202-F206 WeakPolarHBondContact O-CA 3.49Å; C202-F206 PolarHBondContact O-N 3.45Å; C202-H208 VanDerWaalsContact CB-O 3.24Å; C202-H208 WeakPolarHBondContact CB-O 3.44Å; C202-H208 PolarHBondContact N-O 3.48Å; C202-Y221 WeakPolarHBondContact CA-O 3.14Å; C202-C223 HydrophobicContact CB-CB 3.74Å; C202-C223 PolarHBondContact SG-N 2.68Å; C202-C226 VanDerWaalsContact SG-SG 3.68Å | ||
| 203 | A | 87.3 | Confident | 72.9 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 45% | 0.446 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -8.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E201 F206 Y221 | E201-A203 PolarHBondContact O-N 3.26Å; A203-F206 WeakPolarHBondContact O-CZ 3.44Å; A203-Y221 PolarHBondContact N-O 3.48Å |
| 204 | I | 81.9 | Confident | 75 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 35% | 0.349 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -44.3 | 179.8 | -64.9 | 176.6 | 0 | 0 | 0 | 111.5 | C202 F222 C226 V230 P238 | C202-I204 PolarHBondContact O-N 2.79Å; C202-I204 PolarHBondContact SG-N 3.42Å; C202-I204 VanDerWaalsContact SG-N 3.44Å; I204-F222 HydrophobicContact CD1-CD1 3.57Å; I204-F222 HydrophobicContact CD1-CE1 3.71Å; I204-F222 HydrophobicContact CG1-CD1 3.92Å; I204-F222 HydrophobicContact CG1-CE1 3.99Å; I204-C226 HydrophobicContact CB-CB 3.79Å; I204-C226 HydrophobicContact CD1-CB 3.91Å; I204-C226 HydrophobicContact CG1-CB 4.32Å; I204-C226 HydrophobicContact CG2-CB 4.02Å; I204-C226 VanDerWaalsContact CG2-SG 3.6Å; I204-V230 HydrophobicContact CD1-CG2 3.61Å; I204-P238 HydrophobicContact CD1-CG 4.4Å |
| 205 | C | 75.4 | Confident | 76.9 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 31% | 0.311 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -11 | -175 | 68.2 | 0 | 0 | 0 | 0 | 114.7 | C202 Y207 | C202-C205 PolarHBondContact O-N 3.15Å; C205-Y207 WeakPolarHBondContact O-CB 3.47Å; C205-Y207 PolarHBondContact O-N 3.12Å |
| 206 | F | 77.7 | Confident | 78.8 | Confident | 143 Ų | 143 | 57.1 Ų | 57.1 | 63% | 0.627 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 49.2 | 29 | 179.8 | -56 | -82 | 0 | 0 | 0 | 114.2 | C202 A203 | C202-F206 WeakPolarHBondContact O-CA 3.49Å; C202-F206 PolarHBondContact O-N 3.45Å; A203-F206 WeakPolarHBondContact O-CZ 3.44Å |
| 207 | Y | 70.9 | Confident | 80.8 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 48% | 0.475 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -136.3 | -43.8 | -172.1 | -176.6 | -97.6 | 0 | 0 | 0 | 113 | C205 | C205-Y207 WeakPolarHBondContact O-CB 3.47Å; C205-Y207 PolarHBondContact O-N 3.12Å |
| 208 | H | 74.9 | Confident | 82.1 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 152.9 | 178.8 | -69.6 | -66.1 | 0 | 0 | 0 | 111.1 | C202 C223 | C202-H208 VanDerWaalsContact CB-O 3.24Å; C202-H208 WeakPolarHBondContact CB-O 3.44Å; C202-H208 PolarHBondContact N-O 3.48Å; H208-C223 HydrophobicContact CB-CB 3.45Å; H208-C223 VanDerWaalsContact CB-CB 3.45Å |
| 209 | A | 81.8 | Confident | 84 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 141.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A196 E200 N211 C223 | A196-A209 HydrophobicContact CB-CB 4.12Å; E200-A209 CarbonylContact O-C 3.47Å; E200-A209 VanDerWaalsContact O-CA 3.25Å; E200-A209 WeakPolarHBondContact O-CA 3.44Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-N 3.33Å; A209-N211 PolarHBondContact O-OD1 3.03Å; A209-C223 VanDerWaalsContact O-CA 3.32Å; A209-C223 WeakPolarHBondContact O-CA 3.06Å; A209-C223 VanDerWaalsContact O-CB 3.24Å; A209-C223 WeakPolarHBondContact O-CB 3.41Å |
| 210 | A | 88.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | trans | -73.2 | 83.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | E200 T220 | E200-A210 PolarHBondContact O-N 2.91Å; A210-T220 CarbonylContact C-O 3.53Å; A210-T220 WeakPolarHBondContact CB-O 3.5Å | ||
| 211 | N | 84.8 | Confident | 86 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | trans | -118.8 | 14 | -170.8 | 68.4 | -3.3 | 0 | 0 | 0 | 113.6 | E193 A209 F222 R224 A250 | E193-N211 PolarHBondContact OE1-ND2 3.1Å; E193-N211 VanDerWaalsContact OE1-ND2 3.1Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-N 3.33Å; A209-N211 PolarHBondContact O-OD1 3.03Å; N211-F222 PolarHBondContact N-O 3.47Å; N211-R224 PolarHBondContact OD1-N 3.35Å; N211-A250 PolarHBondContact O-N 3.21Å | ||
| 212 | T | 85.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132.3 | -171.5 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | T220 F222 R224 A227 V247 A248 | T212-T220 CarbonylContact O-C 3.33Å; T212-T220 VanDerWaalsContact O-CA 3.25Å; T212-T220 WeakPolarHBondContact O-CA 3.34Å; T212-F222 VanDerWaalsContact CB-O 3.31Å; T212-F222 WeakPolarHBondContact CB-O 3.37Å; T212-F222 PolarHBondContact N-O 3.37Å; T212-R224 WeakPolarHBondContact OG1-CA 3.28Å; T212-R224 VanDerWaalsContact OG1-CB 3.29Å; T212-R224 WeakPolarHBondContact OG1-CB 3.47Å; T212-R224 PolarHBondContact OG1-N 3.36Å; T212-A227 HydrophobicContact CG2-CB 3.48Å; T212-A227 VanDerWaalsContact CG2-CB 3.48Å; T212-V247 HydrophobicContact CG2-CG1 3.25Å; T212-A248 CarbonylContact C-O 3.53Å; T212-A248 WeakPolarHBondContact CA-O 3.36Å; T212-A248 VanDerWaalsContact CG2-O 3.31Å; T212-A248 WeakPolarHBondContact CG2-O 3.38Å |
| 213 | C | 92.8 | Very high | 86.1 | Confident | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.4 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | G218 H219 T220 A248 | C213-G218 VanDerWaalsContact SG-C 3.59Å; C213-G218 VanDerWaalsContact SG-CA 3.51Å; C213-H219 WeakPolarHBondContact CA-O 3.43Å; C213-T220 HydrophobicContact CB-CG2 3.89Å; C213-A248 PolarHBondContact N-O 2.96Å; C213-A248 PolarHBondContact O-N 3.27Å |
| 214 | L | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.6 | 169.4 | -60.8 | 179.5 | 0 | 0 | 0 | 110 | C217 G218 H219 F222 A227 C237 I244 V247 | L214-C217 PolarHBondContact O-N 3.14Å; L214-C217 PolarHBondContact O-SG 2.99Å; L214-G218 PolarHBondContact O-N 2.89Å; L214-H219 PolarHBondContact N-O 3.19Å; L214-F222 HydrophobicContact CD1-CD2 3.67Å; L214-F222 HydrophobicContact CD1-CE2 3.55Å; L214-F222 HydrophobicContact CD1-CZ 4.47Å; L214-F222 HydrophobicContact CG-CD2 3.99Å; L214-F222 HydrophobicContact CG-CE2 4.3Å; L214-A227 HydrophobicContact CD2-CB 3.76Å; L214-C237 HydrophobicContact CD1-CB 4.19Å; L214-I244 HydrophobicContact CB-CG1 4.36Å; L214-I244 HydrophobicContact CB-CG2 4.3Å; L214-I244 HydrophobicContact CD1-CD1 3.8Å; L214-I244 HydrophobicContact CD1-CG1 4.29Å; L214-I244 HydrophobicContact CD2-CD1 4.06Å; L214-I244 HydrophobicContact CD2-CG2 4.17Å; L214-I244 HydrophobicContact CG-CD1 4.37Å; L214-V247 HydrophobicContact CD2-CG2 4.07Å |
| 215 | V | 89.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.9 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | I244 E245 A246 A248 | V215-I244 CarbonylContact O-C 3.56Å; V215-I244 WeakPolarHBondContact O-CA 3.41Å; V215-E245 PolarHBondContact O-N 3.42Å; V215-A246 HydrophobicContact CB-CB 4.11Å; V215-A246 WeakPolarHBondContact CB-O 3.43Å; V215-A246 HydrophobicContact CG2-CB 4.5Å; V215-A246 PolarHBondContact N-O 3.26Å; V215-A246 PolarHBondContact O-N 3.25Å; V215-A248 HydrophobicContact CG2-CB 4.06Å |
| 216 | P | 88.3 | Confident | 85.8 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.2 | -6.7 | 5.1 | 34.6 | -35.5 | 0 | 0 | 0 | 115 | G218 Q243 | P216-G218 VanDerWaalsContact C-N 3.25Å; P216-G218 PolarHBondContact O-N 3.14Å; P216-G218 VanDerWaalsContact O-N 3.15Å; P216-Q243 WeakPolarHBondContact CD-O 3.09Å |
| 217 | C | 94.1 | Very high | 86.1 | Confident | 31 Ų | 31 | 40 Ų | 40 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.8 | -167 | 67.6 | 0 | 0 | 0 | 0 | 115.8 | L214 H219 C240 W242 | L214-C217 PolarHBondContact O-N 3.14Å; L214-C217 PolarHBondContact O-SG 2.99Å; C217-H219 VanDerWaalsContact C-N 3.3Å; C217-H219 PolarHBondContact O-N 3.35Å; C217-H219 PolarHBondContact SG-ND1 3.29Å; C217-H219 VanDerWaalsContact SG-ND1 3.36Å; C217-C240 WeakPolarHBondContact CB-SG 3.22Å; C217-W242 HydrophobicContact CB-CB 4.07Å; C217-W242 HydrophobicContact CB-CG 4.49Å |
| 218 | G | 90.8 | Very high | 86.5 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -1.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C213 L214 P216 T220 | C213-G218 VanDerWaalsContact SG-C 3.59Å; C213-G218 VanDerWaalsContact SG-CA 3.51Å; L214-G218 PolarHBondContact O-N 2.89Å; P216-G218 VanDerWaalsContact C-N 3.25Å; P216-G218 PolarHBondContact O-N 3.14Å; P216-G218 VanDerWaalsContact O-N 3.15Å; G218-T220 PolarHBondContact O-N 3.1Å |
| 219 | H | 94.1 | Very high | 86.6 | Confident | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.199 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.2 | -174.1 | -71.2 | 101.3 | 0 | 0 | 0 | 112.5 | C213 L214 C217 Y221 F222 C237 V239 C240 | C213-H219 WeakPolarHBondContact CA-O 3.43Å; L214-H219 PolarHBondContact N-O 3.19Å; C217-H219 VanDerWaalsContact C-N 3.3Å; C217-H219 PolarHBondContact O-N 3.35Å; C217-H219 PolarHBondContact SG-ND1 3.29Å; C217-H219 VanDerWaalsContact SG-ND1 3.36Å; H219-Y221 HydrophobicContact CB-CD2 4.39Å; H219-Y221 AromaticContact CD2-CE2 3.77Å; H219-F222 HydrophobicContact CB-CE2 4.2Å; H219-C237 PolarHBondContact ND1-SG 3.4Å; H219-V239 HydrophobicContact CB-CG2 4.39Å; H219-V239 WeakPolarHBondContact NE2-CG1 3.48Å; H219-C240 VanDerWaalsContact CE1-CB 3.43Å; H219-C240 WeakPolarHBondContact CE1-CB 3.21Å; H219-C240 PolarHBondContact CE1-SG 3.43Å; H219-C240 PolarHBondContact ND1-SG 2.95Å; H219-C240 VanDerWaalsContact ND1-SG 3.4Å |
| 220 | T | 93.2 | Very high | 86.6 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 4 | -171 | 49.7 | 0 | 0 | 0 | 0 | 115.5 | A210 T212 C213 G218 F222 A250 | A210-T220 CarbonylContact C-O 3.53Å; A210-T220 WeakPolarHBondContact CB-O 3.5Å; T212-T220 CarbonylContact O-C 3.33Å; T212-T220 VanDerWaalsContact O-CA 3.25Å; T212-T220 WeakPolarHBondContact O-CA 3.34Å; C213-T220 HydrophobicContact CB-CG2 3.89Å; G218-T220 PolarHBondContact O-N 3.1Å; T220-F222 PolarHBondContact O-N 3.1Å; T220-A250 HydrophobicContact CG2-CB 3.7Å |
| 221 | Y | 91.4 | Very high | 86.3 | Confident | 131 Ų | 131 | 43.1 Ų | 43.1 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 9.1 | -174 | -53.6 | -70.8 | 0 | 0 | 0 | 115.6 | C202 A203 H219 V239 | C202-Y221 WeakPolarHBondContact CA-O 3.14Å; A203-Y221 PolarHBondContact N-O 3.48Å; H219-Y221 HydrophobicContact CB-CD2 4.39Å; H219-Y221 AromaticContact CD2-CE2 3.77Å; Y221-V239 HydrophobicContact CD2-CG2 3.77Å; Y221-V239 HydrophobicContact CE2-CG1 4.45Å; Y221-V239 HydrophobicContact CE2-CG2 4.22Å |
| 222 | F | 89.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138 | -169.2 | -51.1 | -69 | 0 | 0 | 0 | 109.7 | I204 N211 T212 L214 H219 T220 A227 P238 V239 | I204-F222 HydrophobicContact CD1-CD1 3.57Å; I204-F222 HydrophobicContact CD1-CE1 3.71Å; I204-F222 HydrophobicContact CG1-CD1 3.92Å; I204-F222 HydrophobicContact CG1-CE1 3.99Å; N211-F222 PolarHBondContact N-O 3.47Å; T212-F222 VanDerWaalsContact CB-O 3.31Å; T212-F222 WeakPolarHBondContact CB-O 3.37Å; T212-F222 PolarHBondContact N-O 3.37Å; L214-F222 HydrophobicContact CD1-CD2 3.67Å; L214-F222 HydrophobicContact CD1-CE2 3.55Å; L214-F222 HydrophobicContact CD1-CZ 4.47Å; L214-F222 HydrophobicContact CG-CD2 3.99Å; L214-F222 HydrophobicContact CG-CE2 4.3Å; H219-F222 HydrophobicContact CB-CE2 4.2Å; T220-F222 PolarHBondContact O-N 3.1Å; F222-A227 HydrophobicContact CB-CB 3.88Å; F222-P238 HydrophobicContact CE1-CB 4.19Å; F222-P238 HydrophobicContact CE1-CG 3.81Å; F222-P238 HydrophobicContact CE2-CG 4.48Å; F222-P238 HydrophobicContact CZ-CB 3.96Å; F222-P238 VanDerWaalsContact CZ-CD 3.49Å; F222-P238 HydrophobicContact CZ-CG 3.65Å; F222-V239 HydrophobicContact CE2-CG2 4.09Å; F222-V239 HydrophobicContact CZ-CG2 3.7Å |
| 223 | C | 84.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -69.5 | 160.3 | 161.1 | 73.4 | 0 | 0 | 0 | 0 | 108.6 | C202 H208 A209 C225 C226 A227 | C202-C223 HydrophobicContact CB-CB 3.74Å; C202-C223 PolarHBondContact SG-N 2.68Å; H208-C223 HydrophobicContact CB-CB 3.45Å; H208-C223 VanDerWaalsContact CB-CB 3.45Å; A209-C223 VanDerWaalsContact O-CA 3.32Å; A209-C223 WeakPolarHBondContact O-CA 3.06Å; A209-C223 VanDerWaalsContact O-CB 3.24Å; A209-C223 WeakPolarHBondContact O-CB 3.41Å; C223-C225 PolarHBondContact O-N 3.46Å; C223-C226 PolarHBondContact O-N 2.78Å; C223-C226 PolarHBondContact SG-N 2.76Å; C223-C226 VanDerWaalsContact SG-N 3.43Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.97Å | ||
| 224 | R | 80.4 | Confident | 84.5 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 42% | 0.415 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -48.8 | -40.4 | -179.7 | -169.5 | 167.2 | 176.2 | -80 | -5.7 | 112.9 | N211 T212 W228 | N211-R224 PolarHBondContact OD1-N 3.35Å; T212-R224 WeakPolarHBondContact OG1-CA 3.28Å; T212-R224 VanDerWaalsContact OG1-CB 3.29Å; T212-R224 WeakPolarHBondContact OG1-CB 3.47Å; T212-R224 PolarHBondContact OG1-N 3.36Å; R224-W228 PolarHBondContact O-N 3.29Å |
| 225 | C | 76.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 54 Ų | 54 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -80.7 | -35.6 | -171 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | C141 C223 R229 | C141-C225 WeakPolarHBondContact CA-SG 3.34Å; C141-C225 HydrophobicContact CB-CB 3.4Å; C141-C225 WeakPolarHBondContact CB-SG 3.42Å; C141-C225 PolarHBondContact N-SG 2.92Å; C141-C225 WeakPolarHBondContact SG-CB 3.48Å; C141-C225 CovalentContact SG-SG 1.97Å; C141-C225 PolarHBondContact SG-SG 3.32Å; C223-C225 PolarHBondContact O-N 3.46Å; C225-R229 WeakPolarHBondContact O-CB 3.39Å; C225-R229 PolarHBondContact O-N 2.99Å; C225-R229 VanDerWaalsContact O-N 3.08Å |
| 226 | C | 80.6 | Confident | 84.3 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 171.4 | -69.3 | 0 | 0 | 0 | 0 | 111 | C202 I204 C223 R229 V230 | C202-C226 VanDerWaalsContact SG-SG 3.68Å; I204-C226 HydrophobicContact CB-CB 3.79Å; I204-C226 HydrophobicContact CD1-CB 3.91Å; I204-C226 HydrophobicContact CG1-CB 4.32Å; I204-C226 HydrophobicContact CG2-CB 4.02Å; I204-C226 VanDerWaalsContact CG2-SG 3.6Å; C223-C226 PolarHBondContact O-N 2.78Å; C223-C226 PolarHBondContact SG-N 2.76Å; C223-C226 VanDerWaalsContact SG-N 3.43Å; C226-R229 PolarHBondContact O-N 3.03Å; C226-V230 WeakPolarHBondContact O-CG2 3.38Å; C226-V230 PolarHBondContact O-N 3.31Å |
| 227 | A | 83.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | T212 L214 F222 C223 R229 V230 F231 V247 | T212-A227 HydrophobicContact CG2-CB 3.48Å; T212-A227 VanDerWaalsContact CG2-CB 3.48Å; L214-A227 HydrophobicContact CD2-CB 3.76Å; F222-A227 HydrophobicContact CB-CB 3.88Å; C223-A227 WeakPolarHBondContact O-CB 3.31Å; C223-A227 PolarHBondContact O-N 2.97Å; A227-R229 VanDerWaalsContact C-N 3.34Å; A227-R229 PolarHBondContact O-N 3.4Å; A227-V230 PolarHBondContact O-N 3.35Å; A227-F231 WeakPolarHBondContact O-CB 3.36Å; A227-F231 PolarHBondContact O-N 3.34Å; A227-V247 HydrophobicContact CB-CG1 3.7Å |
| 228 | W | 78.9 | Confident | 84.4 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 176.1 | -85.7 | 104.8 | 0 | 0 | 0 | 113.1 | R224 F231 R232 V247 | R224-W228 PolarHBondContact O-N 3.29Å; W228-F231 AromaticContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CE1 4.49Å; W228-F231 AromaticContact CZ3-CD1 3.62Å; W228-F231 HydrophobicContact CZ3-CD1 3.62Å; W228-F231 AromaticContact CZ3-CE1 3.85Å; W228-F231 HydrophobicContact CZ3-CE1 3.85Å; W228-F231 PolarHBondContact O-N 3.33Å; W228-R232 WeakPolarHBondContact O-CB 3.46Å; W228-R232 PolarHBondContact O-N 2.93Å; W228-R232 VanDerWaalsContact O-N 3.12Å; W228-V247 HydrophobicContact CD2-CB 4.12Å; W228-V247 HydrophobicContact CD2-CG1 4.36Å; W228-V247 HydrophobicContact CD2-CG2 4.19Å; W228-V247 HydrophobicContact CE3-CG2 4.39Å; W228-V247 HydrophobicContact CG-CB 4.48Å; W228-V247 HydrophobicContact CG-CG1 4.25Å; W228-V247 HydrophobicContact CZ2-CB 3.97Å |
| 229 | R | 78.3 | Confident | 84.5 | Confident | 87 Ų | 87 | 58 Ų | 58 | 33% | 0.328 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 173.6 | -176.5 | 179.9 | -66.4 | 172.7 | -3.3 | 110.9 | C225 C226 A227 F231 R232 D233 | C225-R229 WeakPolarHBondContact O-CB 3.39Å; C225-R229 PolarHBondContact O-N 2.99Å; C225-R229 VanDerWaalsContact O-N 3.08Å; C226-R229 PolarHBondContact O-N 3.03Å; A227-R229 VanDerWaalsContact C-N 3.34Å; A227-R229 PolarHBondContact O-N 3.4Å; R229-F231 PolarHBondContact O-N 3.4Å; R229-R232 PolarHBondContact O-N 2.81Å; R229-D233 WeakPolarHBondContact CG-OD2 3.5Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 2.87Å |
| 230 | V | 81.7 | Confident | 84.5 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | I204 C226 A227 R232 D233 T234 A235 K236 P238 I244 | I204-V230 HydrophobicContact CD1-CG2 3.61Å; C226-V230 WeakPolarHBondContact O-CG2 3.38Å; C226-V230 PolarHBondContact O-N 3.31Å; A227-V230 PolarHBondContact O-N 3.35Å; V230-R232 PolarHBondContact O-N 3.32Å; V230-D233 PolarHBondContact O-N 3.35Å; V230-T234 PolarHBondContact O-N 3.46Å; V230-T234 PolarHBondContact O-OG1 3.24Å; V230-A235 PolarHBondContact O-N 3.36Å; V230-K236 WeakPolarHBondContact CG1-O 3.26Å; V230-P238 HydrophobicContact CB-CG 4.36Å; V230-P238 HydrophobicContact CG1-CG 3.74Å; V230-P238 HydrophobicContact CG2-CG 3.75Å; V230-I244 HydrophobicContact CG1-CD1 3.77Å |
| 231 | F | 81.1 | Confident | 84.5 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -41.2 | 178.9 | 178.6 | -118 | 0 | 0 | 0 | 112.2 | A227 W228 R229 A235 I244 E245 V247 | A227-F231 WeakPolarHBondContact O-CB 3.36Å; A227-F231 PolarHBondContact O-N 3.34Å; W228-F231 AromaticContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CD1 3.81Å; W228-F231 HydrophobicContact CE3-CE1 4.49Å; W228-F231 AromaticContact CZ3-CD1 3.62Å; W228-F231 HydrophobicContact CZ3-CD1 3.62Å; W228-F231 AromaticContact CZ3-CE1 3.85Å; W228-F231 HydrophobicContact CZ3-CE1 3.85Å; W228-F231 PolarHBondContact O-N 3.33Å; R229-F231 PolarHBondContact O-N 3.4Å; F231-A235 WeakPolarHBondContact O-CA 3.21Å; F231-A235 WeakPolarHBondContact O-CB 3.46Å; F231-A235 PolarHBondContact O-N 3.45Å; F231-I244 HydrophobicContact CB-CG2 4.48Å; F231-I244 HydrophobicContact CD2-CB 3.69Å; F231-I244 HydrophobicContact CD2-CG2 3.34Å; F231-I244 HydrophobicContact CE2-CB 4.23Å; F231-I244 HydrophobicContact CE2-CG2 3.89Å; F231-I244 VanDerWaalsContact CE2-O 3.31Å; F231-I244 WeakPolarHBondContact CE2-O 3.43Å; F231-I244 HydrophobicContact CG-CG2 4.27Å; F231-E245 WeakPolarHBondContact CZ-O 3.46Å; F231-V247 HydrophobicContact CB-CG2 3.57Å; F231-V247 HydrophobicContact CD1-CG2 4.17Å; F231-V247 HydrophobicContact CD2-CG2 4.33Å; F231-V247 HydrophobicContact CG-CG2 3.77Å |
| 232 | R | 71.6 | Confident | 84.5 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -79.4 | -41.5 | -178.9 | -173.5 | -169.8 | 61.8 | -143.5 | -9.6 | 113.2 | E114 G115 C116 W228 R229 V230 | E114-R232 PolarHBondContact O-NE 3.3Å; E114-R232 PolarHBondContact O-NH1 3.28Å; E114-R232 PolarHBondContact O-NH2 2.81Å; G115-R232 VanDerWaalsContact C-CZ 3.5Å; G115-R232 WeakPolarHBondContact O-CD 2.94Å; G115-R232 PolarHBondContact O-NH1 3.28Å; C116-R232 VanDerWaalsContact CA-NH1 3.29Å; C116-R232 VanDerWaalsContact N-NH1 3.13Å; C116-R232 PolarHBondContact SG-NH1 3.48Å; W228-R232 WeakPolarHBondContact O-CB 3.46Å; W228-R232 PolarHBondContact O-N 2.93Å; W228-R232 VanDerWaalsContact O-N 3.12Å; R229-R232 PolarHBondContact O-N 2.81Å; V230-R232 PolarHBondContact O-N 3.32Å |
| 233 | D | 70 | Confident | 84.5 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.4 | -43.2 | -169.7 | -59.9 | -4.9 | 0 | 0 | 0 | 111.6 | R229 V230 | R229-D233 WeakPolarHBondContact CG-OD2 3.5Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 2.87Å; V230-D233 PolarHBondContact O-N 3.35Å |
| 234 | T | 84.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 73 Ų | 73 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -20.5 | -177.9 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | V230 K236 | V230-T234 PolarHBondContact O-N 3.46Å; V230-T234 PolarHBondContact O-OG1 3.24Å; T234-K236 PolarHBondContact O-N 3.38Å; T234-K236 PolarHBondContact OG1-N 3.4Å; T234-K236 PolarHBondContact OG1-O 2.77Å |
| 235 | A | 87.3 | Confident | 85.1 | Confident | 34 Ų | 34 | 74.1 Ų | 74.1 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | trans | 48.4 | 23.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V230 F231 Q243 I244 | V230-A235 PolarHBondContact O-N 3.36Å; F231-A235 WeakPolarHBondContact O-CA 3.21Å; F231-A235 WeakPolarHBondContact O-CB 3.46Å; F231-A235 PolarHBondContact O-N 3.45Å; A235-Q243 CarbonylContact O-C 3.59Å; A235-Q243 WeakPolarHBondContact O-CA 3.26Å; A235-I244 PolarHBondContact O-N 3.02Å | ||
| 236 | K | 90.5 | Very high | 85.2 | Confident | 126 Ų | 126 | 75 Ų | 75 | 55% | 0.548 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -126.5 | 128.4 | -179.5 | -72.2 | -177.1 | -176.3 | -178.6 | 0 | 110.2 | V230 T234 W242 | V230-K236 WeakPolarHBondContact CG1-O 3.26Å; T234-K236 PolarHBondContact O-N 3.38Å; T234-K236 PolarHBondContact OG1-N 3.4Å; T234-K236 PolarHBondContact OG1-O 2.77Å; K236-W242 CarbonylContact C-O 3.6Å; K236-W242 WeakPolarHBondContact CA-O 3.06Å |
| 237 | C | 92.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | trans | -56.9 | 130.4 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L214 H219 V239 C240 R241 W242 I244 | L214-C237 HydrophobicContact CD1-CB 4.19Å; H219-C237 PolarHBondContact ND1-SG 3.4Å; C237-V239 PolarHBondContact O-N 3.12Å; C237-C240 VanDerWaalsContact CB-SG 3.56Å; C237-C240 VanDerWaalsContact SG-SG 3.63Å; C237-R241 WeakPolarHBondContact O-CA 3.05Å; C237-R241 PolarHBondContact O-N 3.15Å; C237-W242 PolarHBondContact N-O 3.16Å; C237-I244 HydrophobicContact CB-CG1 4.27Å | ||
| 238 | P | 91.7 | Very high | 85.1 | Confident | 67 Ų | 67 | 77 Ų | 77 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.8 | -179.2 | -18.8 | 34.5 | 0 | 0 | 0 | 112.9 | I204 F222 V230 | I204-P238 HydrophobicContact CD1-CG 4.4Å; F222-P238 HydrophobicContact CE1-CB 4.19Å; F222-P238 HydrophobicContact CE1-CG 3.81Å; F222-P238 HydrophobicContact CE2-CG 4.48Å; F222-P238 HydrophobicContact CZ-CB 3.96Å; F222-P238 VanDerWaalsContact CZ-CD 3.49Å; F222-P238 HydrophobicContact CZ-CG 3.65Å; V230-P238 HydrophobicContact CB-CG 4.36Å; V230-P238 HydrophobicContact CG1-CG 3.74Å; V230-P238 HydrophobicContact CG2-CG 3.75Å |
| 239 | V | 92.8 | Very high | 85.2 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -59.5 | -179.8 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | H219 Y221 F222 C237 | H219-V239 HydrophobicContact CB-CG2 4.39Å; H219-V239 WeakPolarHBondContact NE2-CG1 3.48Å; Y221-V239 HydrophobicContact CD2-CG2 3.77Å; Y221-V239 HydrophobicContact CE2-CG1 4.45Å; Y221-V239 HydrophobicContact CE2-CG2 4.22Å; F222-V239 HydrophobicContact CE2-CG2 4.09Å; F222-V239 HydrophobicContact CZ-CG2 3.7Å; C237-V239 PolarHBondContact O-N 3.12Å |
| 240 | C | 93.1 | Very high | 85.3 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -1.6 | -173.5 | 65 | 0 | 0 | 0 | 0 | 114.7 | C217 H219 C237 W242 | C217-C240 WeakPolarHBondContact CB-SG 3.22Å; H219-C240 VanDerWaalsContact CE1-CB 3.43Å; H219-C240 WeakPolarHBondContact CE1-CB 3.21Å; H219-C240 PolarHBondContact CE1-SG 3.43Å; H219-C240 PolarHBondContact ND1-SG 2.95Å; H219-C240 VanDerWaalsContact ND1-SG 3.4Å; C237-C240 VanDerWaalsContact CB-SG 3.56Å; C237-C240 VanDerWaalsContact SG-SG 3.63Å; C240-W242 PolarHBondContact O-N 2.83Å; C240-W242 VanDerWaalsContact SG-CB 3.51Å |
| 241 | R | 93 | Very high | 84.6 | Confident | 207 Ų | 207 | 82.3 Ų | 82.3 | 78% | 0.781 | 42% | 0.421 | S | S | * | . | trans | 62.1 | 6.1 | -178.1 | -53.4 | -179.9 | 179.7 | 171.9 | -1.2 | 115.3 | C237 | C237-R241 WeakPolarHBondContact O-CA 3.05Å; C237-R241 PolarHBondContact O-N 3.15Å | ||
| 242 | W | 91.6 | Very high | 83.4 | Confident | 161 Ų | 161 | 82.3 Ų | 82.3 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 146.7 | 176.2 | -151.7 | -70.5 | 0 | 0 | 0 | 111.5 | C217 K236 C237 C240 I244 | C217-W242 HydrophobicContact CB-CB 4.07Å; C217-W242 HydrophobicContact CB-CG 4.49Å; K236-W242 CarbonylContact C-O 3.6Å; K236-W242 WeakPolarHBondContact CA-O 3.06Å; C237-W242 PolarHBondContact N-O 3.16Å; C240-W242 PolarHBondContact O-N 2.83Å; C240-W242 VanDerWaalsContact SG-CB 3.51Å; W242-I244 PolarHBondContact O-N 3.05Å |
| 243 | Q | 90.6 | Very high | 81.7 | Confident | 132 Ų | 132 | 83.8 Ų | 83.8 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | B | Isolated β-bridge | trans | -63.9 | 124.2 | 175 | -173.5 | 167.1 | -33.6 | 0 | 0 | 110.7 | P216 A235 | P216-Q243 WeakPolarHBondContact CD-O 3.09Å; A235-Q243 CarbonylContact O-C 3.59Å; A235-Q243 WeakPolarHBondContact O-CA 3.26Å |
| 244 | I | 91.5 | Very high | 80 | Confident | 4 Ų | 4 | 85.3 Ų | 85.3 | 2% | 0.021 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 133.1 | 178.4 | -53.2 | 162 | 0 | 0 | 0 | 107.1 | L214 V215 V230 F231 A235 C237 W242 A246 | L214-I244 HydrophobicContact CB-CG1 4.36Å; L214-I244 HydrophobicContact CB-CG2 4.3Å; L214-I244 HydrophobicContact CD1-CD1 3.8Å; L214-I244 HydrophobicContact CD1-CG1 4.29Å; L214-I244 HydrophobicContact CD2-CD1 4.06Å; L214-I244 HydrophobicContact CD2-CG2 4.17Å; L214-I244 HydrophobicContact CG-CD1 4.37Å; V215-I244 CarbonylContact O-C 3.56Å; V215-I244 WeakPolarHBondContact O-CA 3.41Å; V230-I244 HydrophobicContact CG1-CD1 3.77Å; F231-I244 HydrophobicContact CB-CG2 4.48Å; F231-I244 HydrophobicContact CD2-CB 3.69Å; F231-I244 HydrophobicContact CD2-CG2 3.34Å; F231-I244 HydrophobicContact CE2-CB 4.23Å; F231-I244 HydrophobicContact CE2-CG2 3.89Å; F231-I244 VanDerWaalsContact CE2-O 3.31Å; F231-I244 WeakPolarHBondContact CE2-O 3.43Å; F231-I244 HydrophobicContact CG-CG2 4.27Å; A235-I244 PolarHBondContact O-N 3.02Å; C237-I244 HydrophobicContact CB-CG1 4.27Å; W242-I244 PolarHBondContact O-N 3.05Å; I244-A246 WeakPolarHBondContact CG2-O 3.3Å |
| 245 | E | 84.1 | Confident | 77.8 | Confident | 132 Ų | 132 | 85.7 Ų | 85.7 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | trans | -105.8 | -31.7 | 176.4 | -66.6 | 175.8 | -168 | 0 | 0 | 111.7 | V215 F231 | V215-E245 PolarHBondContact O-N 3.42Å; F231-E245 WeakPolarHBondContact CZ-O 3.46Å | ||
| 246 | A | 79.1 | Confident | 75.3 | Confident | 42 Ų | 42 | 91.9 Ų | 91.9 | 35% | 0.347 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 160.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V215 I244 | V215-A246 HydrophobicContact CB-CB 4.11Å; V215-A246 WeakPolarHBondContact CB-O 3.43Å; V215-A246 HydrophobicContact CG2-CB 4.5Å; V215-A246 PolarHBondContact N-O 3.26Å; V215-A246 PolarHBondContact O-N 3.25Å; I244-A246 WeakPolarHBondContact CG2-O 3.3Å |
| 247 | V | 82.4 | Confident | 72.7 | Confident | 20 Ų | 20 | 96.4 Ų | 96.4 | 12% | 0.121 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.8 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T212 L214 A227 W228 F231 | T212-V247 HydrophobicContact CG2-CG1 3.25Å; L214-V247 HydrophobicContact CD2-CG2 4.07Å; A227-V247 HydrophobicContact CB-CG1 3.7Å; W228-V247 HydrophobicContact CD2-CB 4.12Å; W228-V247 HydrophobicContact CD2-CG1 4.36Å; W228-V247 HydrophobicContact CD2-CG2 4.19Å; W228-V247 HydrophobicContact CE3-CG2 4.39Å; W228-V247 HydrophobicContact CG-CB 4.48Å; W228-V247 HydrophobicContact CG-CG1 4.25Å; W228-V247 HydrophobicContact CZ2-CB 3.97Å; F231-V247 HydrophobicContact CB-CG2 3.57Å; F231-V247 HydrophobicContact CD1-CG2 4.17Å; F231-V247 HydrophobicContact CD2-CG2 4.33Å; F231-V247 HydrophobicContact CG-CG2 3.77Å |
| 248 | A | 80.3 | Confident | 69.9 | Low | 31 Ų | 31 | 102.4 Ų | 102.4 | 26% | 0.256 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.7 | 154.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | T212 C213 V215 | T212-A248 CarbonylContact C-O 3.53Å; T212-A248 WeakPolarHBondContact CA-O 3.36Å; T212-A248 VanDerWaalsContact CG2-O 3.31Å; T212-A248 WeakPolarHBondContact CG2-O 3.38Å; C213-A248 PolarHBondContact N-O 2.96Å; C213-A248 PolarHBondContact O-N 3.27Å; V215-A248 HydrophobicContact CG2-CB 4.06Å |
| 249 | P | 80.9 | Confident | 67.2 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 67% | 0.669 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -57.2 | 141 | 169.2 | -19.8 | 31.8 | 0 | 0 | 0 | 110.7 | Q251 | P249-Q251 PolarHBondContact O-N 2.56Å |
| 250 | A | 80.9 | Confident | 64.6 | Low | 32 Ų | 32 | 112.8 Ų | 112.8 | 26% | 0.264 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 120.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | N211 T220 G252 | N211-A250 PolarHBondContact O-N 3.21Å; T220-A250 HydrophobicContact CG2-CB 3.7Å; A250-G252 PolarHBondContact O-N 2.81Å |
| 251 | Q | 66.9 | Low | 62.2 | Low | 187 Ų | 187 | 113.9 Ų | 113.9 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125.9 | 170.8 | -64.3 | -175.7 | 1.3 | 0 | 0 | 106.9 | P249 | P249-Q251 PolarHBondContact O-N 2.56Š|
| 252 | G | 55.3 | Low | 59.6 | Low | 55 Ų | 55 | 113.6 Ų | 113.6 | 57% | 0.567 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 167 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | A250 | A250-G252 PolarHBondContact O-N 2.81Š|
| 253 | P | 37.3 | Very low | 58 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -53 | 138.7 | 179 | 21.6 | -31 | 0 | 0 | 0 | 109.8 | A255 | P253-A255 PolarHBondContact O-N 2.81Å; P253-A255 VanDerWaalsContact O-N 3.17Å |
| 254 | P | 34.3 | Very low | 56.3 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 81% | 0.805 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127 | 173.1 | 23.1 | -30.5 | 0 | 0 | 0 | 107.6 | L256 | P254-L256 PolarHBondContact O-N 3.49Š|
| 255 | A | 37.7 | Very low | 54.3 | Low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 120.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | P253 R257 | P253-A255 PolarHBondContact O-N 2.81Å; P253-A255 VanDerWaalsContact O-N 3.17Å; A255-R257 PolarHBondContact O-N 2.88Å |
| 256 | L | 35.3 | Very low | 52.6 | Low | 165 Ų | 165 | 115.1 Ų | 115.1 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -44.4 | 113.3 | 170.5 | -84.5 | 142.1 | 0 | 0 | 0 | 107.5 | P254 T258 | P254-L256 PolarHBondContact O-N 3.49Å; L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.92Å | ||
| 257 | R | 34.8 | Very low | 50.9 | Low | 221 Ų | 221 | 119.6 Ų | 119.6 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -61.6 | 106.3 | 159 | -74.6 | -176.5 | -179.1 | -179.9 | -0.1 | 104.8 | A255 E259 | A255-R257 PolarHBondContact O-N 2.88Å; R257-E259 PolarHBondContact O-N 2.84Å | ||
| 258 | T | 33.9 | Very low | 48.8 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -61.5 | 95.5 | 153.8 | 32.8 | 0 | 0 | 0 | 0 | 105.9 | L256 E260 | L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.92Å; T258-E260 PolarHBondContact O-N 3.45Å; T258-E260 VanDerWaalsContact O-N 3.09Å | ||
| 259 | E | 35 | Very low | 46.6 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 93.3 | 153.5 | -66.6 | -164.4 | 153.3 | 0 | 0 | 105.8 | R257 G261 | R257-E259 PolarHBondContact O-N 2.84Å; E259-G261 PolarHBondContact O-N 3.02Å | ||
| 260 | E | 38.1 | Very low | 43.9 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 113.3 | 157.9 | -77.7 | -169.6 | 140 | 0 | 0 | 106.8 | T258 | T258-E260 PolarHBondContact O-N 3.45Å; T258-E260 VanDerWaalsContact O-N 3.09Å | ||
| 261 | G | 42.7 | Very low | 40.9 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -66.9 | 137.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | E259 | E259-G261 PolarHBondContact O-N 3.02Š| ||
| 262 | S | 39.1 | Very low | 38.5 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 100% | 1.406 | 84% | 0.841 | S | S | * | * | trans | -152.9 | 0 | 143.4 | -76.4 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 262 of 262 residues in 493.6 ms
(Link to these results)