| 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 | 39.5 | Very low | 48.3 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 100% | 1.069 | 66% | 0.658 | S | S | * | * | 0 | -50.7 | 0 | -65.7 | 179.8 | 82.4 | 0 | 0 | 112.7 | R3 F4 | M1-R3 PolarHBondContact O-N 3.35Å; M1-F4 PolarHBondContact O-N 3.26Å | |||
| 2 | F | 45.4 | Very low | 47.8 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 83% | 0.829 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -8.1 | -174.8 | -81.7 | -81.8 | 0 | 0 | 0 | 119.6 | ||
| 3 | R | 47.7 | Very low | 47.1 | Very low | 221 Ų | 221 | 131.4 Ų | 131.4 | 83% | 0.834 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -11.7 | 172.5 | -72.5 | -167.9 | 178 | -169 | -0.6 | 114.6 | M1 | M1-R3 PolarHBondContact O-N 3.35Š|
| 4 | F | 50.5 | Low | 46.8 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 66% | 0.662 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -79.5 | -32.9 | 179 | -104.8 | -91.3 | 0 | 0 | 0 | 113 | M1 L7 I8 | M1-F4 PolarHBondContact O-N 3.26Å; F4-L7 PolarHBondContact O-N 3.04Å; F4-I8 WeakPolarHBondContact O-CG1 3.4Å; F4-I8 PolarHBondContact O-N 3.22Å; F4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | S | 49.2 | Very low | 46.4 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | -179.7 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | L7 I8 L9 | S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.27Å; S5-I8 PolarHBondContact O-N 3.37Å; S5-L9 PolarHBondContact O-N 3.23Å |
| 6 | Q | 49.4 | Very low | 45.7 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65 | -35.6 | 176.4 | -73.6 | -178 | -31.9 | 0 | 0 | 112.6 | L9 L10 | Q6-L9 PolarHBondContact O-N 2.83Å; Q6-L10 WeakPolarHBondContact O-CB 3.29Å; Q6-L10 WeakPolarHBondContact O-CG 3.38Å; Q6-L10 PolarHBondContact O-N 3.26Å |
| 7 | L | 51.9 | Low | 45.3 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.7 | -40.1 | 175.7 | -152.6 | 84.7 | 0 | 0 | 0 | 111.4 | F4 S5 L10 L11 | F4-L7 PolarHBondContact O-N 3.04Å; S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.27Å; L7-L10 PolarHBondContact O-N 3.41Å; L7-L11 HydrophobicContact CG-CD1 4.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.35Å; L7-L11 PolarHBondContact O-N 3.45Å |
| 8 | I | 54.8 | Low | 44.8 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 45% | 0.451 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 175.5 | -66.3 | 166 | 0 | 0 | 0 | 110.7 | F4 S5 L11 H12 | F4-I8 WeakPolarHBondContact O-CG1 3.4Å; F4-I8 PolarHBondContact O-N 3.22Å; F4-I8 VanDerWaalsContact O-N 3.09Å; S5-I8 PolarHBondContact O-N 3.37Å; I8-L11 PolarHBondContact O-N 2.82Å; I8-H12 PolarHBondContact O-N 3.02Å; I8-H12 PolarHBondContact O-ND1 2.74Å |
| 9 | L | 49.4 | Very low | 44.5 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.9 | -41.8 | 176.7 | -137.5 | 85.3 | 0 | 0 | 0 | 112 | S5 Q6 H12 C13 | S5-L9 PolarHBondContact O-N 3.23Å; Q6-L9 PolarHBondContact O-N 2.83Å; L9-H12 PolarHBondContact O-N 2.99Å; L9-C13 PolarHBondContact O-N 3.48Å |
| 10 | L | 48.8 | Very low | 44.5 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 61% | 0.607 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62 | -43.2 | 173.1 | -81.6 | 162 | 0 | 0 | 0 | 111.6 | Q6 L7 H12 C13 T14 | Q6-L10 WeakPolarHBondContact O-CB 3.29Å; Q6-L10 WeakPolarHBondContact O-CG 3.38Å; Q6-L10 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.41Å; L10-H12 VanDerWaalsContact C-N 3.35Å; L10-H12 PolarHBondContact O-N 3.48Å; L10-C13 PolarHBondContact O-N 2.94Å; L10-T14 PolarHBondContact O-N 2.93Å; L10-T14 PolarHBondContact O-OG1 3.44Å |
| 11 | L | 45.1 | Very low | 45 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.2 | -41.1 | 173 | -100.1 | 116.3 | 0 | 0 | 0 | 112.2 | L7 I8 T14 L15 | L7-L11 HydrophobicContact CG-CD1 4.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.35Å; L7-L11 PolarHBondContact O-N 3.45Å; I8-L11 PolarHBondContact O-N 2.82Å; L11-T14 WeakPolarHBondContact CA-OG1 3.45Å; L11-T14 PolarHBondContact O-N 2.67Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.48Å |
| 12 | H | 41.8 | Very low | 46.3 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.2 | -36.3 | 176.8 | -78.4 | 62.3 | 0 | 0 | 0 | 112.4 | I8 L9 L10 L15 Q16 | I8-H12 PolarHBondContact O-N 3.02Å; I8-H12 PolarHBondContact O-ND1 2.74Å; L9-H12 PolarHBondContact O-N 2.99Å; L10-H12 VanDerWaalsContact C-N 3.35Å; L10-H12 PolarHBondContact O-N 3.48Å; H12-L15 CarbonylContact O-C 3.52Å; H12-L15 PolarHBondContact O-N 2.9Å; H12-Q16 PolarHBondContact O-N 3.46Å |
| 13 | C | 39.4 | Very low | 47.8 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -38.3 | 170.8 | -86 | 0 | 0 | 0 | 0 | 112.3 | L9 L10 L15 | L9-C13 PolarHBondContact O-N 3.48Å; L10-C13 PolarHBondContact O-N 2.94Å; C13-L15 VanDerWaalsContact C-N 3.25Å; C13-L15 PolarHBondContact O-N 3.17Å |
| 14 | T | 42.1 | Very low | 49.6 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 66% | 0.663 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.7 | -15.7 | 172.6 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | L10 L11 | L10-T14 PolarHBondContact O-N 2.93Å; L10-T14 PolarHBondContact O-OG1 3.44Å; L11-T14 WeakPolarHBondContact CA-OG1 3.45Å; L11-T14 PolarHBondContact O-N 2.67Å; L11-T14 PolarHBondContact O-OG1 3.14Å |
| 15 | L | 40.4 | Very low | 51.4 | Low | 109 Ų | 109 | 102.3 Ų | 102.3 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -98.9 | -5.2 | 177.5 | -82.8 | 161 | 0 | 0 | 0 | 113.6 | L11 H12 C13 I17 | L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 3.48Å; H12-L15 CarbonylContact O-C 3.52Å; H12-L15 PolarHBondContact O-N 2.9Å; C13-L15 VanDerWaalsContact C-N 3.25Å; C13-L15 PolarHBondContact O-N 3.17Å; L15-I17 PolarHBondContact O-N 3.31Å |
| 16 | Q | 35.1 | Very low | 53.4 | Low | 161 Ų | 161 | 100.1 Ų | 100.1 | 75% | 0.752 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -69.5 | 75.7 | 150.5 | -81.1 | -171.7 | -51.4 | 0 | 0 | 108 | H12 C18 | H12-Q16 PolarHBondContact O-N 3.46Å; Q16-C18 PolarHBondContact O-N 3.17Å |
| 17 | I | 39.7 | Very low | 55.5 | Low | 114 Ų | 114 | 98.5 Ų | 98.5 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | trans | -55.4 | 107.3 | 165.4 | -63.7 | 166.8 | 0 | 0 | 0 | 105.4 | L15 E19 | L15-I17 PolarHBondContact O-N 3.31Å; I17-E19 PolarHBondContact O-N 2.88Å; I17-E19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | C | 37 | Very low | 57.4 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 43% | 0.432 | 47% | 0.471 | S | S | . | . | trans | -54.9 | 115.1 | 161 | 179.3 | 0 | 0 | 0 | 0 | 105.8 | Q16 Q20 L355 | Q16-C18 PolarHBondContact O-N 3.17Å; C18-Q20 PolarHBondContact O-N 2.62Å; C18-L355 VanDerWaalsContact SG-C 3.53Å; C18-L355 PolarHBondContact SG-O 2.88Å | ||
| 19 | E | 38 | Very low | 59.2 | Low | 150 Ų | 150 | 92.4 Ų | 92.4 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | trans | -70 | 80.8 | 172.6 | -72.9 | -169.2 | 148.8 | 0 | 0 | 107.9 | I17 H21 | I17-E19 PolarHBondContact O-N 2.88Å; I17-E19 VanDerWaalsContact O-N 3.07Å; E19-H21 PolarHBondContact O-N 3.05Å; E19-H21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | Q | 45.1 | Very low | 61.2 | Low | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 116.2 | 164.3 | -176.8 | 177.2 | 11.7 | 0 | 0 | 106.6 | C18 R22 | C18-Q20 PolarHBondContact O-N 2.62Å; Q20-R22 WeakPolarHBondContact O-CG 3.21Å; Q20-R22 PolarHBondContact O-N 2.67Å; Q20-R22 VanDerWaalsContact O-N 3.15Å |
| 21 | H | 54.1 | Low | 63.2 | Low | 51 Ų | 51 | 82.9 Ų | 82.9 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 122.5 | 173 | -84.6 | -55.1 | 0 | 0 | 0 | 109.2 | E19 D149 Q150 | E19-H21 PolarHBondContact O-N 3.05Å; E19-H21 VanDerWaalsContact O-N 3.15Å; H21-D149 WeakPolarHBondContact CA-OD1 3.39Å; H21-D149 WeakPolarHBondContact CB-OD1 3.38Å; H21-D149 IonicContact CG-OD1 3.33Å; H21-D149 IonicContact ND1-OD1 2.8Å; H21-D149 PolarHBondContact ND1-OD1 2.83Å; H21-Q150 HydrophobicContact CB-CB 4.12Å |
| 22 | R | 68.4 | Low | 65.2 | Low | 143 Ų | 143 | 85.3 Ų | 85.3 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 136.7 | -170.2 | -57 | -173.9 | -176.9 | 164 | 7 | 108.3 | Q20 W24 T148 D149 | Q20-R22 WeakPolarHBondContact O-CG 3.21Å; Q20-R22 PolarHBondContact O-N 2.67Å; Q20-R22 VanDerWaalsContact O-N 3.15Å; R22-W24 HydrophobicContact CB-CE3 3.59Å; R22-W24 HydrophobicContact CB-CZ3 3.77Å; R22-W24 WeakPolarHBondContact O-CZ3 3.38Å; R22-T148 WeakPolarHBondContact O-CA 3.42Å; R22-T148 WeakPolarHBondContact O-CB 3.36Å; R22-T148 PolarHBondContact O-OG1 2.91Å; R22-D149 WeakPolarHBondContact CB-OD2 3.19Å; R22-D149 PolarHBondContact N-OD1 3.27Å; R22-D149 PolarHBondContact N-OD2 3.34Å; R22-D149 PolarHBondContact O-N 2.88Å |
| 23 | V | 76.5 | Confident | 67.4 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 39% | 0.394 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.3 | 160 | -177.8 | 0 | 0 | 0 | 0 | 106 | I146 V147 | V23-I146 HydrophobicContact CG1-CG2 3.63Å; V23-V147 WeakPolarHBondContact CA-O 3.33Å |
| 24 | W | 85.4 | Confident | 69.7 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 22% | 0.216 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163 | 179.7 | 69.1 | 91.2 | 0 | 0 | 0 | 111.4 | R22 S49 L50 T55 V147 D149 | R22-W24 HydrophobicContact CB-CE3 3.59Å; R22-W24 HydrophobicContact CB-CZ3 3.77Å; R22-W24 WeakPolarHBondContact O-CZ3 3.38Å; W24-S49 PolarHBondContact NE1-OG 3.28Å; W24-L50 HydrophobicContact CH2-CD1 3.7Å; W24-L50 HydrophobicContact CH2-CG 4.24Å; W24-L50 HydrophobicContact CZ2-CD1 4.1Å; W24-L50 HydrophobicContact CZ2-CG 4.13Å; W24-T55 HydrophobicContact CH2-CG2 3.76Å; W24-T55 HydrophobicContact CZ2-CG2 4.03Å; W24-V147 HydrophobicContact CD2-CB 4.4Å; W24-V147 HydrophobicContact CH2-CG1 4.02Å; W24-V147 HydrophobicContact CZ2-CB 4.04Å; W24-V147 HydrophobicContact CZ2-CG1 3.5Å; W24-V147 PolarHBondContact N-O 3.29Å; W24-V147 PolarHBondContact O-N 3.48Å; W24-D149 HydrophobicContact CH2-CB 4.22Å; W24-D149 HydrophobicContact CZ3-CB 4.16Å |
| 25 | E | 87.8 | Confident | 71.8 | Confident | 83 Ų | 83 | 75.8 Ų | 75.8 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.2 | 176.9 | -50.4 | -165.5 | 131.4 | 0 | 0 | 110.5 | R144 L145 I146 | E25-R144 HydrophobicContact CB-CG 4.21Å; E25-R144 IonicContact OE1-CZ 2.77Å; E25-R144 IonicContact OE1-NE 3.22Å; E25-R144 IonicContact OE1-NH1 2.8Å; E25-R144 PolarHBondContact OE1-NH1 3.44Å; E25-R144 WeakPolarHBondContact OE2-CD 3.36Å; E25-R144 IonicContact OE2-NH1 3.8Å; E25-L145 CarbonylContact C-O 3.59Å; E25-L145 WeakPolarHBondContact CA-O 3.19Å; E25-I146 HydrophobicContact CG-CD1 3.81Å |
| 26 | Q | 91.8 | Very high | 74 | Confident | 22 Ų | 22 | 79 Ų | 79 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.1 | 167.5 | 178.4 | 170.8 | 3.3 | 0 | 0 | 109.7 | L28 Q47 S49 L145 V147 | Q26-L28 HydrophobicContact CG-CD2 4.15Å; Q26-Q47 PolarHBondContact NE2-O 3.19Å; Q26-S49 VanDerWaalsContact CD-OG 3.29Å; Q26-S49 PolarHBondContact OE1-OG 3.09Å; Q26-L145 HydrophobicContact CB-CB 4.31Å; Q26-L145 PolarHBondContact N-O 3.37Å; Q26-L145 PolarHBondContact O-N 2.92Å; Q26-V147 HydrophobicContact CB-CG2 4.03Å |
| 27 | E | 92.5 | Very high | 76.2 | Confident | 101 Ų | 101 | 78.3 Ų | 78.3 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.2 | 176.2 | -57 | -157.4 | 136.6 | 0 | 0 | 111.9 | K29 | E27-K29 HydrophobicContact CB-CG 4.47Å; E27-K29 WeakPolarHBondContact OE1-CE 3.37Å; E27-K29 IonicContact OE1-NZ 2.77Å; E27-K29 PolarHBondContact OE1-NZ 3.43Å; E27-K29 WeakPolarHBondContact OE2-CE 3.37Å; E27-K29 IonicContact OE2-NZ 2.81Å; E27-K29 PolarHBondContact OE2-NZ 2.81Å |
| 28 | L | 93.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 86.6 | 169.1 | -51.5 | -171.9 | 0 | 0 | 0 | 107.7 | Q26 F46 L74 F126 L128 G142 L143 L145 | Q26-L28 HydrophobicContact CG-CD2 4.15Å; L28-F46 HydrophobicContact CB-CD2 4.19Å; L28-F46 HydrophobicContact CB-CE2 4.15Å; L28-F46 HydrophobicContact CB-CZ 4.42Å; L28-F46 HydrophobicContact CD2-CB 3.63Å; L28-F46 HydrophobicContact CD2-CD1 3.96Å; L28-F46 HydrophobicContact CD2-CD2 3.99Å; L28-F46 HydrophobicContact CD2-CG 3.59Å; L28-L74 HydrophobicContact CD1-CD1 3.6Å; L28-F126 HydrophobicContact CD1-CB 4.21Å; L28-F126 HydrophobicContact CD1-CD2 4.17Å; L28-F126 HydrophobicContact CD1-CG 4.23Å; L28-F126 HydrophobicContact CD2-CD2 4.19Å; L28-L128 HydrophobicContact CB-CD2 4.44Å; L28-L128 VanDerWaalsContact O-CD2 3.3Å; L28-L128 WeakPolarHBondContact O-CD2 3.19Å; L28-G142 CarbonylContact O-C 3.52Å; L28-G142 VanDerWaalsContact O-CA 3.29Å; L28-G142 WeakPolarHBondContact O-CA 3.33Å; L28-L143 CarbonylContact C-O 3.51Å; L28-L143 PolarHBondContact N-O 3.33Å; L28-L143 PolarHBondContact O-N 2.89Å; L28-L145 HydrophobicContact CD1-CD1 3.72Å; L28-L145 HydrophobicContact CD1-CD2 4.34Å; L28-L145 HydrophobicContact CD1-CG 4.1Å; L28-L145 HydrophobicContact CD2-CD1 4.4Å; L28-L145 HydrophobicContact CG-CD1 4.02Å; L28-L145 HydrophobicContact CG-CG 4.16Å |
| 29 | K | 92.1 | Very high | 80.2 | Confident | 63 Ų | 63 | 80.1 Ų | 80.1 | 27% | 0.274 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144.7 | -176.3 | -72.3 | 179.8 | -177.6 | 159.6 | 0 | 112.1 | E27 F46 H140 | E27-K29 HydrophobicContact CB-CG 4.47Å; E27-K29 WeakPolarHBondContact OE1-CE 3.37Å; E27-K29 IonicContact OE1-NZ 2.77Å; E27-K29 PolarHBondContact OE1-NZ 3.43Å; E27-K29 WeakPolarHBondContact OE2-CE 3.37Å; E27-K29 IonicContact OE2-NZ 2.81Å; E27-K29 PolarHBondContact OE2-NZ 2.81Å; K29-F46 WeakPolarHBondContact O-CZ 3.44Å; K29-H140 WeakPolarHBondContact CB-O 3.39Å; K29-H140 WeakPolarHBondContact CG-O 3.34Å |
| 30 | M | 91.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -62.3 | 136.8 | 175.1 | -68.1 | -60.9 | -98.4 | 0 | 0 | 111.1 | F32 V33 M42 A44 L128 V130 Y132 H140 S141 | M30-F32 PolarHBondContact O-N 3.37Å; M30-F32 VanDerWaalsContact O-N 3.07Å; M30-V33 HydrophobicContact CB-CG1 4.07Å; M30-V33 HydrophobicContact CB-CG2 3.99Å; M30-V33 HydrophobicContact CE-CG1 4.42Å; M30-M42 HydrophobicContact CE-CB 3.33Å; M30-M42 VanDerWaalsContact CE-O 3.32Å; M30-M42 WeakPolarHBondContact CE-O 3.25Å; M30-A44 HydrophobicContact SD-CB 3.58Å; M30-A44 VanDerWaalsContact SD-CB 3.58Å; M30-L128 HydrophobicContact CG-CD2 4.21Å; M30-L128 HydrophobicContact SD-CD2 4Å; M30-V130 HydrophobicContact CE-CB 4.17Å; M30-V130 HydrophobicContact CE-CG2 4.12Å; M30-V130 HydrophobicContact CG-CB 4.34Å; M30-V130 HydrophobicContact CG-CG2 3.65Å; M30-V130 HydrophobicContact SD-CG2 3.95Å; M30-Y132 HydrophobicContact CE-CE2 4.44Å; M30-H140 PolarHBondContact O-CD2 3.17Å; M30-S141 VanDerWaalsContact CG-O 3.26Å; M30-S141 WeakPolarHBondContact CG-O 3.38Å; M30-S141 PolarHBondContact N-O 2.83Å; M30-S141 VanDerWaalsContact N-O 3.08Å | ||
| 31 | P | 89.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | trans | -85.9 | 79.4 | -169.7 | 34.3 | -37.9 | 0 | 0 | 0 | 112.1 | V33 P87 | P31-V33 VanDerWaalsContact C-N 3.31Å; P31-V33 HydrophobicContact CG-CG1 4.19Å; P31-V33 PolarHBondContact O-N 2.98Å; P31-P87 HydrophobicContact CG-CG 3.9Å | ||
| 32 | F | 88.2 | Confident | 86.1 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 63% | 0.627 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 53.8 | 44 | 176.1 | -61.5 | -101.5 | 0 | 0 | 0 | 112.7 | M30 D139 H140 | M30-F32 PolarHBondContact O-N 3.37Å; M30-F32 VanDerWaalsContact O-N 3.07Å; F32-D139 WeakPolarHBondContact CA-O 3.18Å; F32-D139 PolarHBondContact N-O 3.17Å; F32-H140 VanDerWaalsContact CA-NE2 3.33Å; F32-H140 WeakPolarHBondContact CA-NE2 3.27Å; F32-H140 AromaticContact CD1-CE1 3.13Å; F32-H140 WeakPolarHBondContact CD1-CE1 3.47Å; F32-H140 AromaticContact CD1-NE2 3.07Å; F32-H140 WeakPolarHBondContact CD1-NE2 3.42Å; F32-H140 AromaticContact CD2-NE2 3.07Å; F32-H140 WeakPolarHBondContact CD2-NE2 3.36Å; F32-H140 AromaticContact CE1-CE1 3.36Å; F32-H140 WeakPolarHBondContact CE1-CE1 3.41Å; F32-H140 AromaticContact CE1-NE2 3.22Å; F32-H140 WeakPolarHBondContact CE1-NE2 3.47Å; F32-H140 AromaticContact CE2-NE2 3.22Å; F32-H140 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H140 AromaticContact CG-CE1 3.44Å; F32-H140 VanDerWaalsContact CG-CE1 3.44Å; F32-H140 WeakPolarHBondContact CG-CE1 3.48Å; F32-H140 AromaticContact CG-NE2 2.95Å; F32-H140 WeakPolarHBondContact CG-NE2 3.38Å; F32-H140 AromaticContact CZ-CE1 3.88Å; F32-H140 AromaticContact CZ-NE2 3.27Å; F32-H140 VanDerWaalsContact CZ-NE2 3.27Å; F32-H140 WeakPolarHBondContact CZ-NE2 3.23Å; F32-H140 PolarHBondContact N-NE2 3.16Å |
| 33 | V | 87.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 142.5 | -168 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | M30 P31 P87 Y132 S138 D139 | M30-V33 HydrophobicContact CB-CG1 4.07Å; M30-V33 HydrophobicContact CB-CG2 3.99Å; M30-V33 HydrophobicContact CE-CG1 4.42Å; P31-V33 VanDerWaalsContact C-N 3.31Å; P31-V33 HydrophobicContact CG-CG1 4.19Å; P31-V33 PolarHBondContact O-N 2.98Å; V33-P87 HydrophobicContact CG1-CB 4.46Å; V33-P87 HydrophobicContact CG1-CG 3.61Å; V33-Y132 HydrophobicContact CG2-CE2 4.25Å; V33-Y132 WeakPolarHBondContact CG2-OH 3.48Å; V33-S138 WeakPolarHBondContact O-CA 3.44Å; V33-S138 PolarHBondContact O-N 2.79Å; V33-D139 HydrophobicContact CG2-CB 4.07Å; V33-D139 PolarHBondContact N-O 3.01Å; V33-D139 VanDerWaalsContact N-O 3.09Å; V33-D139 PolarHBondContact O-N 3.41Å |
| 34 | N | 87.6 | Confident | 88 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.3 | 169.9 | -64.1 | -46.1 | 0 | 0 | 0 | 108.3 | V136 K137 S138 | N34-V136 WeakPolarHBondContact CA-O 3.33Å; N34-K137 WeakPolarHBondContact OD1-CA 3.33Å; N34-S138 PolarHBondContact OD1-N 2.83Å |
| 35 | V | 86.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.4 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 106.7 | Q37 T40 M42 Y132 P135 V136 | V35-Q37 VanDerWaalsContact CG1-O 3.29Å; V35-Q37 WeakPolarHBondContact CG1-O 3.49Å; V35-T40 HydrophobicContact CG1-CG2 3.98Å; V35-M42 HydrophobicContact CG2-CE 4.3Å; V35-M42 HydrophobicContact CG2-CG 4.23Å; V35-Y132 HydrophobicContact CG2-CD2 3.75Å; V35-Y132 HydrophobicContact CG2-CE2 4.16Å; V35-Y132 HydrophobicContact CG2-CG 3.94Å; V35-P135 CarbonylContact O-C 3.6Å; V35-P135 WeakPolarHBondContact O-CA 3.38Å; V35-P135 VanDerWaalsContact O-CB 3.26Å; V35-P135 WeakPolarHBondContact O-CB 3.48Å; V35-V136 HydrophobicContact CB-CG2 3.83Å; V35-V136 HydrophobicContact CG2-CG2 3.87Å; V35-V136 PolarHBondContact N-O 2.99Å; V35-V136 PolarHBondContact O-N 2.87Å |
| 36 | E | 85.6 | Confident | 88.6 | Confident | 177 Ų | 177 | 58.1 Ų | 58.1 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | trans | -100.4 | -24.3 | -177.2 | -62 | -173.1 | 163.2 | 0 | 0 | 113 | P135 | E36-P135 WeakPolarHBondContact O-CG 3.4Š| ||
| 37 | Q | 82.2 | Confident | 88.6 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -97.5 | 156.2 | -179.4 | -64.9 | 177.1 | 5.5 | 0 | 0 | 110.3 | V35 T40 | V35-Q37 VanDerWaalsContact CG1-O 3.29Å; V35-Q37 WeakPolarHBondContact CG1-O 3.49Å; Q37-T40 WeakPolarHBondContact CB-OG1 3.41Å; Q37-T40 PolarHBondContact O-OG1 2.76Å |
| 38 | Q | 81.9 | Confident | 88.5 | Confident | 137 Ų | 137 | 55.3 Ų | 55.3 | 64% | 0.64 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -76.5 | 162.6 | 167.3 | -73.8 | 176.3 | -39.4 | 0 | 0 | 109.8 | T40 L133 P135 | Q38-T40 VanDerWaalsContact C-N 3.35Å; Q38-T40 PolarHBondContact O-N 3.06Å; Q38-T40 PolarHBondContact O-OG1 3.04Å; Q38-L133 WeakPolarHBondContact CA-O 3.35Å; Q38-L133 WeakPolarHBondContact CB-O 3.33Å; Q38-P135 HydrophobicContact CG-CG 4.4Å |
| 39 | D | 78.9 | Confident | 88 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 52.8 | 46.1 | 173 | -149.9 | 59.9 | 0 | 0 | 0 | 113.7 | H131 Y132 L133 | D39-H131 WeakPolarHBondContact CA-NE2 3.32Å; D39-H131 IonicContact OD1-CE1 2.78Å; D39-H131 PolarHBondContact OD1-CE1 3.08Å; D39-H131 IonicContact OD1-NE2 3.28Å; D39-H131 PolarHBondContact OD1-NE2 2.91Å; D39-Y132 WeakPolarHBondContact CA-O 3.49Å; D39-Y132 PolarHBondContact N-O 2.84Å; D39-L133 PolarHBondContact N-O 3.11Å |
| 40 | T | 85.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.4 | -170.6 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | V35 Q37 Q38 M42 Y132 | V35-T40 HydrophobicContact CG1-CG2 3.98Å; Q37-T40 WeakPolarHBondContact CB-OG1 3.41Å; Q37-T40 PolarHBondContact O-OG1 2.76Å; Q38-T40 VanDerWaalsContact C-N 3.35Å; Q38-T40 PolarHBondContact O-N 3.06Å; Q38-T40 PolarHBondContact O-OG1 3.04Å; T40-M42 HydrophobicContact CG2-CE 3.96Å; T40-M42 HydrophobicContact CG2-CG 4.32Å; T40-Y132 PolarHBondContact N-O 3.42Å; T40-Y132 PolarHBondContact O-N 3.3Å |
| 41 | Y | 87.8 | Confident | 86.6 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.5 | 173.8 | -66.9 | -104 | 0 | 0 | 0 | 110.4 | H71 E129 H131 | Y41-H71 AromaticContact CE1-CE1 3.94Å; Y41-H71 AromaticContact CE1-NE2 3.65Å; Y41-E129 HydrophobicContact CD1-CG 4.35Å; Y41-H131 HydrophobicContact CD1-CB 3.95Å; Y41-H131 AromaticContact CD2-CD2 3.99Å; Y41-H131 HydrophobicContact CE1-CB 3.73Å; Y41-H131 AromaticContact CE1-CG 3.74Å; Y41-H131 AromaticContact CE1-ND1 3.88Å; Y41-H131 AromaticContact CE2-CD2 3.72Å; Y41-H131 AromaticContact CE2-CE1 3.75Å; Y41-H131 AromaticContact CE2-CG 3.88Å; Y41-H131 AromaticContact CE2-ND1 3.87Å; Y41-H131 AromaticContact CE2-NE2 3.7Å; Y41-H131 AromaticContact CZ-CD2 3.91Å; Y41-H131 AromaticContact CZ-CE1 3.66Å; Y41-H131 AromaticContact CZ-CG 3.55Å; Y41-H131 AromaticContact CZ-ND1 3.36Å; Y41-H131 PolarHBondContact OH-CE1 3.37Å; Y41-H131 PolarHBondContact OH-ND1 2.91Å; Y41-H131 VanDerWaalsContact OH-ND1 3.12Å |
| 42 | M | 88.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.7 | 176.2 | -71.9 | -76.8 | -178.3 | 0 | 0 | 109.8 | M30 V35 T40 P87 V130 Y132 | M30-M42 HydrophobicContact CE-CB 3.33Å; M30-M42 VanDerWaalsContact CE-O 3.32Å; M30-M42 WeakPolarHBondContact CE-O 3.25Å; V35-M42 HydrophobicContact CG2-CE 4.3Å; V35-M42 HydrophobicContact CG2-CG 4.23Å; T40-M42 HydrophobicContact CG2-CE 3.96Å; T40-M42 HydrophobicContact CG2-CG 4.32Å; M42-P87 HydrophobicContact SD-CB 4.38Å; M42-V130 PolarHBondContact N-O 2.92Å; M42-V130 PolarHBondContact O-N 2.85Å; M42-Y132 HydrophobicContact CB-CE2 4.15Å; M42-Y132 HydrophobicContact CG-CD2 4.42Å; M42-Y132 HydrophobicContact CG-CE2 4.36Å |
| 43 | C | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.3 | 176.1 | -74.6 | 0 | 0 | 0 | 0 | 113.3 | Y45 P87 T88 C90 E127 L128 E129 | C43-Y45 HydrophobicContact CB-CE2 4.2Å; C43-P87 WeakPolarHBondContact O-CA 3.42Å; C43-T88 WeakPolarHBondContact CB-O 3.33Å; C43-T88 PolarHBondContact O-N 3.32Å; C43-C90 HydrophobicContact CB-CB 3.96Å; C43-C90 WeakPolarHBondContact CB-SG 3.5Å; C43-C90 WeakPolarHBondContact SG-CA 3.26Å; C43-C90 WeakPolarHBondContact SG-CB 3.45Å; C43-C90 CovalentContact SG-SG 2.03Å; C43-C90 PolarHBondContact SG-SG 3.45Å; C43-E127 HydrophobicContact CB-CG 4.45Å; C43-L128 CarbonylContact C-O 3.48Å; C43-L128 VanDerWaalsContact CA-O 3.26Å; C43-L128 WeakPolarHBondContact CA-O 3.46Å; C43-E129 VanDerWaalsContact SG-CB 3.51Å |
| 44 | A | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M30 F46 L128 | M30-A44 HydrophobicContact SD-CB 3.58Å; M30-A44 VanDerWaalsContact SD-CB 3.58Å; A44-F46 HydrophobicContact CB-CE2 3.79Å; A44-F46 HydrophobicContact CB-CZ 3.98Å; A44-L128 PolarHBondContact N-O 2.86Å; A44-L128 PolarHBondContact O-N 2.88Å |
| 45 | Y | 93.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | -174.9 | -60.4 | -97.8 | 0 | 0 | 0 | 112.7 | C43 V81 I84 G85 T88 Q89 M92 F126 E127 | C43-Y45 HydrophobicContact CB-CE2 4.2Å; Y45-V81 HydrophobicContact CD1-CG1 3.99Å; Y45-V81 HydrophobicContact CD1-CG2 4.31Å; Y45-V81 HydrophobicContact CG-CG1 3.94Å; Y45-I84 WeakPolarHBondContact O-CA 3.28Å; Y45-G85 PolarHBondContact O-N 3.07Å; Y45-G85 VanDerWaalsContact O-N 3.12Å; Y45-T88 WeakPolarHBondContact CD2-OG1 3.38Å; Y45-T88 WeakPolarHBondContact CE2-OG1 3.26Å; Y45-Q89 PolarHBondContact OH-O 2.73Å; Y45-M92 HydrophobicContact CD1-CE 3.62Å; Y45-M92 HydrophobicContact CD2-CE 3.93Å; Y45-M92 HydrophobicContact CE1-CB 3.77Å; Y45-M92 HydrophobicContact CE1-CE 3.38Å; Y45-M92 HydrophobicContact CE1-CG 4.18Å; Y45-M92 HydrophobicContact CE2-CE 3.76Å; Y45-M92 HydrophobicContact CG-CE 3.87Å; Y45-M92 VanDerWaalsContact CZ-CE 3.46Å; Y45-M92 PolarHBondContact OH-N 2.79Å; Y45-F126 VanDerWaalsContact CA-O 3.28Å; Y45-F126 WeakPolarHBondContact CA-O 3.33Å; Y45-E127 HydrophobicContact CD1-CB 3.76Å; Y45-E127 HydrophobicContact CD1-CG 4.05Å; Y45-E127 HydrophobicContact CE1-CB 3.5Å; Y45-E127 VanDerWaalsContact CE1-CB 3.5Å; Y45-E127 HydrophobicContact CE1-CG 3.41Å; Y45-E127 VanDerWaalsContact CE1-CG 3.41Å; Y45-E127 VanDerWaalsContact CE1-OE2 3.28Å; Y45-E127 WeakPolarHBondContact CE1-OE2 3.29Å; Y45-E127 PolarHBondContact OH-OE2 3.19Å |
| 46 | F | 93 | Very high | 86 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.9 | -172.4 | -54.7 | -93.4 | 0 | 0 | 0 | 111.5 | L28 K29 A44 G125 F126 L128 | L28-F46 HydrophobicContact CB-CD2 4.19Å; L28-F46 HydrophobicContact CB-CE2 4.15Å; L28-F46 HydrophobicContact CB-CZ 4.42Å; L28-F46 HydrophobicContact CD2-CB 3.63Å; L28-F46 HydrophobicContact CD2-CD1 3.96Å; L28-F46 HydrophobicContact CD2-CD2 3.99Å; L28-F46 HydrophobicContact CD2-CG 3.59Å; K29-F46 WeakPolarHBondContact O-CZ 3.44Å; A44-F46 HydrophobicContact CB-CE2 3.79Å; A44-F46 HydrophobicContact CB-CZ 3.98Å; F46-G125 WeakPolarHBondContact O-CA 3.14Å; F46-F126 HydrophobicContact CB-CB 4.42Å; F46-F126 HydrophobicContact CB-CD2 4.25Å; F46-F126 PolarHBondContact N-O 2.58Å; F46-F126 PolarHBondContact O-N 2.88Å; F46-L128 HydrophobicContact CD2-CB 4.34Å; F46-L128 HydrophobicContact CE2-CB 3.84Å; F46-L128 HydrophobicContact CE2-CD2 4.05Å; F46-L128 HydrophobicContact CZ-CD2 4.47Å |
| 47 | Q | 91.5 | Very high | 86.3 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | trans | -104.5 | 156.5 | 171.7 | -70 | -178.1 | -20.6 | 0 | 0 | 110.3 | Q26 L51 V81 I84 | Q26-Q47 PolarHBondContact NE2-O 3.19Å; Q47-L51 HydrophobicContact CB-CD2 4.19Å; Q47-L51 HydrophobicContact CG-CD2 4.5Å; Q47-V81 PolarHBondContact NE2-O 3.2Å; Q47-I84 VanDerWaalsContact CD-CD1 3.44Å; Q47-I84 HydrophobicContact CG-CD1 3.77Å; Q47-I84 HydrophobicContact CG-CG1 4.29Å | ||
| 48 | P | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | trans | -58.6 | 147.1 | 169.9 | -21.9 | 34.8 | 0 | 0 | 0 | 111.9 | L50 F126 | P48-L50 PolarHBondContact O-N 3.02Å; P48-F126 HydrophobicContact CB-CE2 4.43Å; P48-F126 HydrophobicContact CG-CE2 4.23Å; P48-F126 HydrophobicContact CG-CZ 4.25Å | ||
| 49 | S | 83.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 40 Ų | 40 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -55.7 | -33.8 | -179.8 | -67.9 | 0 | 0 | 0 | 0 | 114.5 | W24 Q26 | W24-S49 PolarHBondContact NE1-OG 3.28Å; Q26-S49 VanDerWaalsContact CD-OG 3.29Å; Q26-S49 PolarHBondContact OE1-OG 3.09Å |
| 50 | L | 80.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 36.2 Ų | 36.2 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | trans | -115.3 | 118.3 | 173.1 | -63.9 | 177.4 | 0 | 0 | 0 | 108.8 | W24 P48 T55 | W24-L50 HydrophobicContact CH2-CD1 3.7Å; W24-L50 HydrophobicContact CH2-CG 4.24Å; W24-L50 HydrophobicContact CZ2-CD1 4.1Å; W24-L50 HydrophobicContact CZ2-CG 4.13Å; P48-L50 PolarHBondContact O-N 3.02Å; L50-T55 HydrophobicContact CB-CG2 3.8Å; L50-T55 HydrophobicContact CD1-CG2 3.77Å; L50-T55 HydrophobicContact CG-CG2 4.13Å | ||
| 51 | L | 73.4 | Confident | 87.4 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -78.9 | -35.4 | 174.9 | -68.6 | 170.6 | 0 | 0 | 0 | 111.8 | Q47 L119 | Q47-L51 HydrophobicContact CB-CD2 4.19Å; Q47-L51 HydrophobicContact CG-CD2 4.5Å; L51-L119 HydrophobicContact CB-CD1 4.14Å; L51-L119 HydrophobicContact CB-CG 4.45Å; L51-L119 HydrophobicContact CD2-CG 4.43Å; L51-L119 WeakPolarHBondContact O-CB 3.34Å; L51-L119 WeakPolarHBondContact O-CD1 3.39Å; L51-L119 VanDerWaalsContact O-CG 3.26Å; L51-L119 WeakPolarHBondContact O-CG 3.33Å |
| 52 | N | 78 | Confident | 87.5 | Confident | 147 Ų | 147 | 33 Ų | 33 | 79% | 0.786 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -92.4 | 119.5 | 178.5 | -64.8 | -10.7 | 0 | 0 | 0 | 109.2 | ||
| 53 | G | 81.3 | Confident | 87.5 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 98.9 | -171 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 54 | T | 86.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 34.2 Ų | 34.2 | 32% | 0.319 | 20% | 0.2 | S | C | . | . | trans | -119.9 | 133.9 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 108.7 | F56 P116 A121 | T54-F56 HydrophobicContact CG2-CE1 4.34Å; T54-F56 HydrophobicContact CG2-CE2 4.04Å; T54-F56 HydrophobicContact CG2-CZ 3.84Å; T54-P116 HydrophobicContact CG2-CB 4.17Å; T54-A121 HydrophobicContact CG2-CB 4.27Å | ||
| 55 | T | 90.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.1 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | W24 L50 T117 T148 | W24-T55 HydrophobicContact CH2-CG2 3.76Å; W24-T55 HydrophobicContact CZ2-CG2 4.03Å; L50-T55 HydrophobicContact CB-CG2 3.8Å; L50-T55 HydrophobicContact CD1-CG2 3.77Å; L50-T55 HydrophobicContact CG-CG2 4.13Å; T55-T117 PolarHBondContact N-O 2.81Å; T55-T117 PolarHBondContact O-N 3.29Å; T55-T117 PolarHBondContact O-OG1 2.82Å; T55-T117 PolarHBondContact OG1-O 3.26Å; T55-T117 PolarHBondContact OG1-OG1 2.8Å; T55-T117 VanDerWaalsContact OG1-OG1 3.05Å; T55-T148 CarbonylContact C-O 3.47Å; T55-T148 VanDerWaalsContact CA-O 3.31Å; T55-T148 WeakPolarHBondContact CA-O 3.47Å; T55-T148 WeakPolarHBondContact CB-O 3.43Å |
| 56 | F | 90 | Very high | 85.7 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125 | -171.4 | -59.5 | -94 | 0 | 0 | 0 | 111 | T54 Y115 P116 V147 T148 Q150 Q152 I155 | T54-F56 HydrophobicContact CG2-CE1 4.34Å; T54-F56 HydrophobicContact CG2-CE2 4.04Å; T54-F56 HydrophobicContact CG2-CZ 3.84Å; F56-Y115 VanDerWaalsContact CA-O 3.29Å; F56-Y115 WeakPolarHBondContact CA-O 3.19Å; F56-P116 HydrophobicContact CD1-CB 4.23Å; F56-P116 HydrophobicContact CE1-CB 3.96Å; F56-V147 WeakPolarHBondContact O-CA 3.34Å; F56-T148 HydrophobicContact CB-CG2 4.2Å; F56-T148 PolarHBondContact N-O 3.44Å; F56-T148 PolarHBondContact O-N 2.84Å; F56-Q150 VanDerWaalsContact CD2-O 3.23Å; F56-Q150 WeakPolarHBondContact CD2-O 3.37Å; F56-Q152 HydrophobicContact CB-CG 3.55Å; F56-Q152 HydrophobicContact CD1-CB 3.87Å; F56-Q152 HydrophobicContact CD1-CG 3.64Å; F56-Q152 HydrophobicContact CD2-CG 4.12Å; F56-Q152 HydrophobicContact CE1-CB 4.15Å; F56-Q152 HydrophobicContact CE1-CG 4.35Å; F56-Q152 HydrophobicContact CG-CB 4.21Å; F56-Q152 HydrophobicContact CG-CG 3.5Å; F56-I155 HydrophobicContact CE1-CG2 4.4Å |
| 57 | I | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.2 | 171.6 | -57.9 | 165.1 | 0 | 0 | 0 | 108.3 | E59 I60 M97 F109 G114 Y115 T117 F126 L145 V147 | I57-E59 WeakPolarHBondContact CG2-O 3.35Å; I57-I60 HydrophobicContact CG2-CD1 4.32Å; I57-I60 HydrophobicContact CG2-CG1 3.8Å; I57-M97 HydrophobicContact CD1-CE 3.73Å; I57-F109 WeakPolarHBondContact O-CD2 3.35Å; I57-G114 CarbonylContact O-C 3.53Å; I57-G114 WeakPolarHBondContact O-CA 3.33Å; I57-Y115 PolarHBondContact N-O 3.23Å; I57-Y115 PolarHBondContact O-N 3.45Å; I57-Y115 VanDerWaalsContact O-N 3.07Å; I57-T117 HydrophobicContact CD1-CG2 3.76Å; I57-T117 HydrophobicContact CG1-CG2 4.15Å; I57-F126 HydrophobicContact CD1-CE1 3.82Å; I57-F126 HydrophobicContact CD1-CZ 3.87Å; I57-L145 HydrophobicContact CD1-CD1 3.78Å; I57-L145 HydrophobicContact CG1-CD1 4.21Å; I57-L145 HydrophobicContact CG2-CB 4.27Å; I57-L145 HydrophobicContact CG2-CD2 4.27Å; I57-V147 HydrophobicContact CG1-CG2 4.35Å |
| 58 | R | 85 | Confident | 84.6 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -28.7 | 179.9 | -70 | -173.9 | 60.5 | -152.1 | -10 | 113.8 | F109 I146 T148 | R58-F109 WeakPolarHBondContact O-CB 3.47Å; R58-F109 WeakPolarHBondContact O-CD2 3.45Å; R58-F109 PolarHBondContact O-N 3.46Å; R58-I146 PolarHBondContact N-O 2.88Å; R58-T148 HydrophobicContact CG-CG2 4.16Å |
| 59 | E | 87.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151 | 174.9 | -54.6 | -177.6 | -139 | 0 | 0 | 111.4 | I57 L61 L107 R108 L145 I146 I348 | I57-E59 WeakPolarHBondContact CG2-O 3.35Å; E59-L61 HydrophobicContact CB-CD2 4.37Å; E59-L107 CarbonylContact C-O 3.55Å; E59-L107 WeakPolarHBondContact CA-O 3.31Å; E59-R108 HydrophobicContact CB-CG 4.46Å; E59-R108 HydrophobicContact CG-CB 4.23Å; E59-R108 HydrophobicContact CG-CG 3.9Å; E59-R108 WeakPolarHBondContact OE2-CD 3.13Å; E59-R108 WeakPolarHBondContact OE2-CG 3.35Å; E59-R108 IonicContact OE2-CZ 3.54Å; E59-R108 IonicContact OE2-NE 2.84Å; E59-R108 PolarHBondContact OE2-NE 2.8Å; E59-R108 IonicContact OE2-NH2 3.66Å; E59-L145 WeakPolarHBondContact O-CA 3.41Å; E59-I146 HydrophobicContact CB-CB 3.93Å; E59-I146 HydrophobicContact CB-CG1 3.82Å; E59-I146 HydrophobicContact CG-CB 4.38Å; E59-I146 HydrophobicContact CG-CG1 4.4Å; E59-I146 PolarHBondContact O-N 3.22Å; E59-I348 VanDerWaalsContact OE1-CD1 3.22Å; E59-I348 WeakPolarHBondContact OE1-CD1 3.33Å |
| 60 | I | 90.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 105.8 | 175.5 | -53.7 | -179.5 | 0 | 0 | 0 | 107.6 | I57 L74 Y98 L107 Y115 L143 L145 | I57-I60 HydrophobicContact CG2-CD1 4.32Å; I57-I60 HydrophobicContact CG2-CG1 3.8Å; I60-L74 HydrophobicContact CD1-CD2 4.01Å; I60-Y98 HydrophobicContact CB-CD1 4.38Å; I60-Y98 HydrophobicContact CB-CG 4.34Å; I60-Y98 HydrophobicContact CD1-CG 4.21Å; I60-Y98 HydrophobicContact CG2-CD1 3.48Å; I60-Y98 VanDerWaalsContact CG2-CD1 3.48Å; I60-Y98 HydrophobicContact CG2-CD2 4.46Å; I60-Y98 HydrophobicContact CG2-CE1 3.74Å; I60-Y98 HydrophobicContact CG2-CG 3.85Å; I60-L107 HydrophobicContact CB-CB 4.34Å; I60-L107 HydrophobicContact CD1-CD2 4.23Å; I60-L107 PolarHBondContact N-O 3.16Å; I60-L107 PolarHBondContact O-N 3.41Å; I60-Y115 HydrophobicContact CD1-CD2 4.45Å; I60-Y115 HydrophobicContact CD1-CE2 4.26Å; I60-L143 HydrophobicContact CG2-CB 4.33Å; I60-L143 HydrophobicContact CG2-CD1 3.93Å; I60-L143 HydrophobicContact CG2-CD2 4.23Å; I60-L143 HydrophobicContact CG2-CG 4.4Å; I60-L145 HydrophobicContact CB-CD2 4.33Å; I60-L145 HydrophobicContact CD1-CD2 4.41Å; I60-L145 HydrophobicContact CG1-CD2 3.89Å; I60-L145 HydrophobicContact CG2-CD2 3.96Å |
| 61 | L | 88.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 46 Ų | 46 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.9 | -176.3 | -52.2 | 179.8 | 0 | 0 | 0 | 109.6 | E59 P106 L143 R144 I146 | E59-L61 HydrophobicContact CB-CD2 4.37Å; L61-P106 HydrophobicContact CD2-CB 3.57Å; L61-P106 HydrophobicContact CD2-CG 4.39Å; L61-L143 CarbonylContact O-C 3.44Å; L61-L143 WeakPolarHBondContact O-CA 3.48Å; L61-R144 HydrophobicContact CB-CB 4.35Å; L61-R144 WeakPolarHBondContact CB-O 3.48Å; L61-R144 PolarHBondContact N-O 2.9Å; L61-R144 PolarHBondContact O-N 2.88Å; L61-I146 HydrophobicContact CD1-CD1 4.12Å; L61-I146 HydrophobicContact CD1-CG1 4.2Å |
| 62 | P | 88.5 | Confident | 85.6 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140 | 173.7 | 29.1 | -33.7 | 0 | 0 | 0 | 111.2 | W100 | P62-W100 VanDerWaalsContact CB-CD1 3.45Å; P62-W100 HydrophobicContact CB-CD2 4.21Å; P62-W100 HydrophobicContact CB-CG 3.95Å |
| 63 | S | 88.5 | Confident | 86.3 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 60.7 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 107.9 | S141 G142 | S63-S141 WeakPolarHBondContact O-CA 3.13Å; S63-G142 CarbonylContact C-O 3.55Å; S63-G142 WeakPolarHBondContact CA-O 3.12Å; S63-G142 PolarHBondContact N-O 3.01Å; S63-G142 PolarHBondContact O-N 2.92Å; S63-G142 VanDerWaalsContact O-N 3.11Å |
| 64 | A | 84.5 | Confident | 86.9 | Confident | 30 Ų | 30 | 35 Ų | 35 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | trans | -148.2 | 165.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V69 I72 W100 | A64-V69 HydrophobicContact CB-CB 4.45Å; A64-I72 HydrophobicContact CB-CD1 3.67Å; A64-W100 HydrophobicContact CB-CE3 4.37Å; A64-W100 HydrophobicContact CB-CH2 3.8Å; A64-W100 HydrophobicContact CB-CZ2 4.3Å; A64-W100 HydrophobicContact CB-CZ3 3.85Å | ||
| 65 | N | 81.4 | Confident | 87.1 | Confident | 85 Ų | 85 | 33.8 Ų | 33.8 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | trans | -131.5 | 133.2 | 176.8 | -179.5 | -35.9 | 0 | 0 | 0 | 108.3 | S67 T68 V69 | N65-S67 PolarHBondContact O-N 3.32Å; N65-S67 WeakPolarHBondContact OD1-CB 3.44Å; N65-S67 PolarHBondContact OD1-N 2.62Å; N65-S67 PolarHBondContact OD1-OG 3.43Å; N65-T68 PolarHBondContact O-N 2.79Å; N65-T68 PolarHBondContact O-OG1 3.36Å; N65-T68 VanDerWaalsContact O-OG1 3.1Å; N65-V69 PolarHBondContact O-N 3.47Å | ||
| 66 | R | 74.6 | Confident | 87.2 | Confident | 145 Ų | 145 | 33.7 Ų | 33.7 | 55% | 0.547 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -23.4 | 176.3 | 175.2 | 179.1 | -179.6 | -172.4 | 0.7 | 114.8 | T68 V69 D103 | R66-T68 VanDerWaalsContact C-N 3.28Å; R66-T68 PolarHBondContact O-N 2.77Å; R66-V69 WeakPolarHBondContact CA-O 3.36Å; R66-D103 VanDerWaalsContact CB-CG 3.46Å; R66-D103 WeakPolarHBondContact CB-OD1 3.44Å; R66-D103 WeakPolarHBondContact CB-OD2 3.43Å; R66-D103 WeakPolarHBondContact CD-OD2 3.26Å; R66-D103 PolarHBondContact N-OD1 2.89Å |
| 67 | S | 79.4 | Confident | 87.3 | Confident | 92 Ų | 92 | 33 Ų | 33 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.8 | 177.1 | -50.4 | 0 | 0 | 0 | 0 | 113.3 | N65 | N65-S67 PolarHBondContact O-N 3.32Å; N65-S67 WeakPolarHBondContact OD1-CB 3.44Å; N65-S67 PolarHBondContact OD1-N 2.62Å; N65-S67 PolarHBondContact OD1-OG 3.43Å |
| 68 | T | 82.4 | Confident | 87.2 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -41 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | N65 R66 Y132 V136 | N65-T68 PolarHBondContact O-N 2.79Å; N65-T68 PolarHBondContact O-OG1 3.36Å; N65-T68 VanDerWaalsContact O-OG1 3.1Å; R66-T68 VanDerWaalsContact C-N 3.28Å; R66-T68 PolarHBondContact O-N 2.77Å; T68-Y132 WeakPolarHBondContact O-CD1 3.34Å; T68-V136 HydrophobicContact CG2-CG1 4.19Å |
| 69 | V | 85.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -115.2 | 130.7 | -174.7 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | A64 N65 R66 H71 I72 W100 V130 Y132 S141 | A64-V69 HydrophobicContact CB-CB 4.45Å; N65-V69 PolarHBondContact O-N 3.47Å; R66-V69 WeakPolarHBondContact CA-O 3.36Å; V69-H71 VanDerWaalsContact CG1-O 3.28Å; V69-H71 WeakPolarHBondContact CG1-O 3.31Å; V69-I72 HydrophobicContact CG1-CD1 4.31Å; V69-I72 HydrophobicContact CG1-CG1 3.71Å; V69-W100 HydrophobicContact CB-CZ3 4.21Å; V69-W100 HydrophobicContact CG1-CE3 4.5Å; V69-W100 HydrophobicContact CG1-CZ3 3.92Å; V69-V130 HydrophobicContact CB-CG1 4.28Å; V69-V130 HydrophobicContact CG1-CG1 3.59Å; V69-V130 HydrophobicContact CG2-CG1 3.62Å; V69-Y132 HydrophobicContact CG2-CD1 4.04Å; V69-Y132 HydrophobicContact CG2-CE1 3.64Å; V69-S141 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 70 | H | 83.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.8 | -50 | 175.4 | -175 | -151.7 | 0 | 0 | 0 | 111.4 | H131 L133 | H70-H131 WeakPolarHBondContact CB-O 3.42Å; H70-H131 PolarHBondContact N-O 2.86Å; H70-H131 AromaticContact ND1-CE1 3.57Å; H70-H131 AromaticContact ND1-ND1 3.33Å; H70-H131 PolarHBondContact ND1-ND1 2.85Å; H70-L133 HydrophobicContact CB-CB 4.34Å; H70-L133 HydrophobicContact CB-CD1 3.91Å |
| 71 | H | 87.8 | Confident | 87.2 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 163.3 | 173.1 | 64.9 | -110.9 | 0 | 0 | 0 | 112.6 | Y41 V69 W100 H131 | Y41-H71 AromaticContact CE1-CE1 3.94Å; Y41-H71 AromaticContact CE1-NE2 3.65Å; V69-H71 VanDerWaalsContact CG1-O 3.28Å; V69-H71 WeakPolarHBondContact CG1-O 3.31Å; H71-W100 CarbonylContact C-O 3.56Å; H71-W100 WeakPolarHBondContact CA-O 3.42Å; H71-W100 WeakPolarHBondContact CB-O 3.31Å; H71-H131 AromaticContact CE1-CG 3.83Å; H71-H131 AromaticContact CE1-ND1 3.29Å; H71-H131 PolarHBondContact CE1-ND1 3.4Å; H71-H131 VanDerWaalsContact CE1-ND1 3.29Å; H71-H131 AromaticContact ND1-ND1 3.62Å; H71-H131 PolarHBondContact O-N 3.15Å |
| 72 | I | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139 | 174.6 | -59.4 | -179.6 | 0 | 0 | 0 | 108.3 | A64 V69 A99 W100 L128 E129 V130 L143 | A64-I72 HydrophobicContact CB-CD1 3.67Å; V69-I72 HydrophobicContact CG1-CD1 4.31Å; V69-I72 HydrophobicContact CG1-CG1 3.71Å; I72-A99 CarbonylContact O-C 3.58Å; I72-A99 WeakPolarHBondContact O-CA 3.38Å; I72-W100 HydrophobicContact CB-CB 4.4Å; I72-W100 HydrophobicContact CB-CE3 4.44Å; I72-W100 HydrophobicContact CD1-CE3 4.19Å; I72-W100 HydrophobicContact CG1-CE3 3.99Å; I72-W100 PolarHBondContact N-O 3.05Å; I72-W100 PolarHBondContact O-N 2.72Å; I72-L128 HydrophobicContact CG2-CD1 3.54Å; I72-E129 CarbonylContact C-O 3.52Å; I72-E129 VanDerWaalsContact CA-O 3.3Å; I72-E129 WeakPolarHBondContact CA-O 3.24Å; I72-V130 HydrophobicContact CG1-CG1 4.23Å; I72-V130 HydrophobicContact CG1-CG2 4.23Å; I72-V130 HydrophobicContact CG2-CG2 4.48Å; I72-L143 HydrophobicContact CD1-CD2 4.47Å; I72-L143 HydrophobicContact CG2-CD1 4.14Å; I72-L143 HydrophobicContact CG2-CD2 4.13Å; I72-L143 HydrophobicContact CG2-CG 4.08Å |
| 73 | I | 91 | Very high | 85.9 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132 | 170 | -56.7 | 174.6 | 0 | 0 | 0 | 108.5 | K75 I96 A99 E129 | I73-K75 HydrophobicContact CG2-CG 3.97Å; I73-I96 HydrophobicContact CG2-CD1 4.41Å; I73-I96 HydrophobicContact CG2-CG1 4.28Å; I73-I96 HydrophobicContact CG2-CG2 4.24Å; I73-A99 HydrophobicContact CG1-CB 4.45Å; I73-E129 HydrophobicContact CB-CB 4.29Å; I73-E129 PolarHBondContact N-O 3.12Å; I73-E129 PolarHBondContact O-N 2.94Å |
| 74 | L | 93.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.1 | 170.2 | -177.3 | 66.1 | 0 | 0 | 0 | 109 | L28 I60 M97 Y98 F126 L143 L145 | L28-L74 HydrophobicContact CD1-CD1 3.6Å; I60-L74 HydrophobicContact CD1-CD2 4.01Å; L74-M97 HydrophobicContact CD2-CB 4.29Å; L74-M97 HydrophobicContact CD2-CE 4.47Å; L74-M97 HydrophobicContact CD2-SD 4.36Å; L74-M97 HydrophobicContact CG-CB 4.31Å; L74-M97 HydrophobicContact CG-SD 4.31Å; L74-M97 PolarHBondContact O-N 3.36Å; L74-Y98 PolarHBondContact N-O 2.66Å; L74-Y98 PolarHBondContact O-N 3.47Å; L74-F126 HydrophobicContact CD1-CB 4.03Å; L74-L143 HydrophobicContact CB-CD1 3.75Å; L74-L143 HydrophobicContact CD1-CD1 4.28Å; L74-L143 HydrophobicContact CD2-CD1 4.07Å; L74-L143 HydrophobicContact CG-CD1 4.25Å; L74-L145 HydrophobicContact CD2-CD2 4.11Å |
| 75 | K | 92.8 | Very high | 84.8 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.2 | 175 | -43.1 | 176.2 | -164 | 153.1 | 0 | 111 | I73 C93 T95 I96 F126 E127 E129 | I73-K75 HydrophobicContact CG2-CG 3.97Å; K75-C93 HydrophobicContact CB-CB 4.15Å; K75-C93 WeakPolarHBondContact CD-O 3.35Å; K75-T95 CarbonylContact C-O 3.51Å; K75-T95 WeakPolarHBondContact CA-O 3.35Å; K75-I96 HydrophobicContact CG-CG1 4.3Å; K75-F126 WeakPolarHBondContact O-CA 3.45Å; K75-E127 HydrophobicContact CB-CB 4.24Å; K75-E127 PolarHBondContact N-O 2.73Å; K75-E127 IonicContact NZ-OE1 2.73Å; K75-E127 PolarHBondContact NZ-OE1 2.51Å; K75-E127 PolarHBondContact O-N 3.47Å; K75-E129 VanDerWaalsContact CE-OE2 3.26Å; K75-E129 WeakPolarHBondContact CE-OE2 3.31Å; K75-E129 IonicContact NZ-OE2 3.52Å; K75-E129 PolarHBondContact NZ-OE2 3.06Å |
| 76 | G | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 141 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T95 M97 | G76-T95 PolarHBondContact N-O 3.26Å; G76-T95 PolarHBondContact O-N 2.83Å; G76-M97 VanDerWaalsContact CA-SD 3.55Å; G76-M97 PolarHBondContact N-SD 2.84Å |
| 77 | C | 91.7 | Very high | 84.4 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.5 | -178.8 | -47.6 | 0 | 0 | 0 | 0 | 110.2 | H79 V81 C93 K124 G125 | C77-H79 WeakPolarHBondContact CB-O 3.48Å; C77-H79 PolarHBondContact O-N 3.35Å; C77-V81 HydrophobicContact CB-CG2 3.98Å; C77-V81 VanDerWaalsContact SG-CG2 3.57Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.37Å; C77-C93 WeakPolarHBondContact SG-CB 3.3Å; C77-C93 CovalentContact SG-SG 2.02Å; C77-C93 PolarHBondContact SG-SG 3.46Å; C77-K124 PolarHBondContact O-N 2.97Å; C77-G125 WeakPolarHBondContact CB-O 3.41Å; C77-G125 PolarHBondContact N-O 3.46Å; C77-G125 PolarHBondContact SG-O 3Å; C77-G125 VanDerWaalsContact SG-O 3.41Å |
| 78 | S | 89 | Confident | 84.3 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -69.8 | -9.2 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | Q122 K124 | S78-Q122 WeakPolarHBondContact CA-O 3.26Å; S78-K124 WeakPolarHBondContact O-CD 3.14Å; S78-K124 PolarHBondContact O-NZ 3.5Å |
| 79 | H | 89.2 | Confident | 84.1 | Confident | 136 Ų | 136 | 59.2 Ų | 59.2 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -124.1 | 147.1 | -178.5 | -59.9 | 86.4 | 0 | 0 | 0 | 110.8 | C77 V81 | C77-H79 WeakPolarHBondContact CB-O 3.48Å; C77-H79 PolarHBondContact O-N 3.35Å; H79-V81 PolarHBondContact O-N 2.73Å |
| 80 | P | 87 | Confident | 84 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | trans | -64.5 | 128.2 | 174.9 | -18.4 | 31.7 | 0 | 0 | 0 | 111.2 | L119 K124 | P80-L119 HydrophobicContact CB-CD2 3.99Å; P80-L119 HydrophobicContact CG-CD2 3.67Å; P80-K124 HydrophobicContact CG-CB 4.21Å; P80-K124 HydrophobicContact CG-CD 4.31Å | ||
| 81 | V | 86.7 | Confident | 84 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | trans | -83.9 | 136.5 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | Y45 Q47 C77 H79 M92 | Y45-V81 HydrophobicContact CD1-CG1 3.99Å; Y45-V81 HydrophobicContact CD1-CG2 4.31Å; Y45-V81 HydrophobicContact CG-CG1 3.94Å; Q47-V81 PolarHBondContact NE2-O 3.2Å; C77-V81 HydrophobicContact CB-CG2 3.98Å; C77-V81 VanDerWaalsContact SG-CG2 3.57Å; H79-V81 PolarHBondContact O-N 2.73Å; V81-M92 HydrophobicContact CG1-CE 3.83Å | ||
| 82 | T | 79.2 | Confident | 83.7 | Confident | 126 Ų | 126 | 63 Ų | 63 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | trans | -103.8 | -29.1 | -176.3 | 55 | 0 | 0 | 0 | 0 | 114.1 | I84 | T82-I84 PolarHBondContact O-N 3.09Š| ||
| 83 | K | 72.8 | Confident | 83.5 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -91.7 | 77.7 | 179.6 | -67.8 | -178.5 | -177.7 | 173.4 | 0 | 111 | ||
| 84 | I | 77.2 | Confident | 83.1 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | trans | -86.4 | 140.7 | -173.6 | -54.5 | 168.5 | 0 | 0 | 0 | 111.3 | Y45 Q47 T82 K86 | Y45-I84 WeakPolarHBondContact O-CA 3.28Å; Q47-I84 VanDerWaalsContact CD-CD1 3.44Å; Q47-I84 HydrophobicContact CG-CD1 3.77Å; Q47-I84 HydrophobicContact CG-CG1 4.29Å; T82-I84 PolarHBondContact O-N 3.09Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 2.95Å | ||
| 85 | G | 71.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 73 Ų | 73 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 67.8 | 17.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117 | Y45 | Y45-G85 PolarHBondContact O-N 3.07Å; Y45-G85 VanDerWaalsContact O-N 3.12Å |
| 86 | K | 74.8 | Confident | 82.5 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 67% | 0.665 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -122.7 | 143.6 | 169.9 | -70.3 | -174.1 | 178 | -176.7 | 0 | 109.9 | I84 T88 | I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 2.95Å; K86-T88 PolarHBondContact O-N 2.76Å |
| 87 | P | 73.1 | Confident | 82.4 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | trans | -63.3 | 128 | 173.7 | -20 | 34.3 | 0 | 0 | 0 | 110.1 | P31 V33 M42 C43 | P31-P87 HydrophobicContact CG-CG 3.9Å; V33-P87 HydrophobicContact CG1-CB 4.46Å; V33-P87 HydrophobicContact CG1-CG 3.61Å; M42-P87 HydrophobicContact SD-CB 4.38Å; C43-P87 WeakPolarHBondContact O-CA 3.42Å | ||
| 88 | T | 78 | Confident | 82.3 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -143.4 | 171.5 | 179.2 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | C43 Y45 K86 | C43-T88 WeakPolarHBondContact CB-O 3.33Å; C43-T88 PolarHBondContact O-N 3.32Å; Y45-T88 WeakPolarHBondContact CD2-OG1 3.38Å; Y45-T88 WeakPolarHBondContact CE2-OG1 3.26Å; K86-T88 PolarHBondContact O-N 2.76Å |
| 89 | Q | 77.4 | Confident | 82.2 | Confident | 176 Ų | 176 | 70 Ų | 70 | 82% | 0.822 | 38% | 0.379 | S | S | * | . | trans | -58.7 | 140.8 | 175.2 | -170.2 | 174.6 | -6 | 0 | 0 | 111.5 | Y45 | Y45-Q89 PolarHBondContact OH-O 2.73Š| ||
| 90 | C | 84 | Confident | 82.2 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 28% | 0.277 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -75.1 | 163.9 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | C43 | C43-C90 HydrophobicContact CB-CB 3.96Å; C43-C90 WeakPolarHBondContact CB-SG 3.5Å; C43-C90 WeakPolarHBondContact SG-CA 3.26Å; C43-C90 WeakPolarHBondContact SG-CB 3.45Å; C43-C90 CovalentContact SG-SG 2.03Å; C43-C90 PolarHBondContact SG-SG 3.45Å |
| 91 | G | 82.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | trans | 98.2 | 18.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | C93 E127 | G91-C93 VanDerWaalsContact C-N 3.29Å; G91-E127 PolarHBondContact N-OE1 3.04Å; G91-E127 PolarHBondContact N-OE2 3.24Å | ||
| 92 | M | 81.9 | Confident | 81.3 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 49% | 0.493 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.8 | -18.2 | 168.8 | -61.7 | -162.3 | -59.7 | 0 | 0 | 112.2 | Y45 V81 E127 | Y45-M92 HydrophobicContact CD1-CE 3.62Å; Y45-M92 HydrophobicContact CD2-CE 3.93Å; Y45-M92 HydrophobicContact CE1-CB 3.77Å; Y45-M92 HydrophobicContact CE1-CE 3.38Å; Y45-M92 HydrophobicContact CE1-CG 4.18Å; Y45-M92 HydrophobicContact CE2-CE 3.76Å; Y45-M92 HydrophobicContact CG-CE 3.87Å; Y45-M92 VanDerWaalsContact CZ-CE 3.46Å; Y45-M92 PolarHBondContact OH-N 2.79Å; V81-M92 HydrophobicContact CG1-CE 3.83Å; M92-E127 PolarHBondContact N-OE2 3.48Å |
| 93 | C | 88.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.034 | 33% | 0.326 | C | S | . | . | trans | -128.5 | 139.5 | -173.3 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | K75 C77 G91 E127 | K75-C93 HydrophobicContact CB-CB 4.15Å; K75-C93 WeakPolarHBondContact CD-O 3.35Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.37Å; C77-C93 WeakPolarHBondContact SG-CB 3.3Å; C77-C93 CovalentContact SG-SG 2.02Å; C77-C93 PolarHBondContact SG-SG 3.46Å; G91-C93 VanDerWaalsContact C-N 3.29Å; C93-E127 HydrophobicContact CB-CB 3.82Å; C93-E127 WeakPolarHBondContact CB-OE2 3.34Å; C93-E127 PolarHBondContact N-OE2 2.88Å | ||
| 94 | Q | 82.7 | Confident | 81.1 | Confident | 153 Ų | 153 | 54.9 Ų | 54.9 | 72% | 0.715 | 30% | 0.3 | S | S | * | . | trans | -111.5 | -33.2 | -166.4 | -60.4 | -61.9 | -35 | 0 | 0 | 113.7 | I96 | Q94-I96 PolarHBondContact O-N 2.86Å; Q94-I96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | T | 86.1 | Confident | 80.9 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 101.4 | -172.5 | -48.9 | 0 | 0 | 0 | 0 | 111.2 | K75 G76 M97 | K75-T95 CarbonylContact C-O 3.51Å; K75-T95 WeakPolarHBondContact CA-O 3.35Å; G76-T95 PolarHBondContact N-O 3.26Å; G76-T95 PolarHBondContact O-N 2.83Å; T95-M97 PolarHBondContact O-N 3.02Å |
| 96 | I | 87.6 | Confident | 81.3 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 123.9 | 176 | -65.3 | -179.2 | 0 | 0 | 0 | 109.9 | I73 K75 Q94 V158 Y281 | I73-I96 HydrophobicContact CG2-CD1 4.41Å; I73-I96 HydrophobicContact CG2-CG1 4.28Å; I73-I96 HydrophobicContact CG2-CG2 4.24Å; K75-I96 HydrophobicContact CG-CG1 4.3Å; Q94-I96 PolarHBondContact O-N 2.86Å; Q94-I96 VanDerWaalsContact O-N 3.12Å; I96-V158 WeakPolarHBondContact O-CB 3.28Å; I96-V158 WeakPolarHBondContact O-CG2 3.37Å; I96-Y281 HydrophobicContact CB-CE1 4.49Å; I96-Y281 HydrophobicContact CD1-CE1 3.73Å |
| 97 | M | 89.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -36.6 | -179.6 | -61.9 | 174.5 | 66.9 | 0 | 0 | 112.4 | I57 L74 G76 T95 Y115 I123 F126 | I57-M97 HydrophobicContact CD1-CE 3.73Å; L74-M97 HydrophobicContact CD2-CB 4.29Å; L74-M97 HydrophobicContact CD2-CE 4.47Å; L74-M97 HydrophobicContact CD2-SD 4.36Å; L74-M97 HydrophobicContact CG-CB 4.31Å; L74-M97 HydrophobicContact CG-SD 4.31Å; L74-M97 PolarHBondContact O-N 3.36Å; G76-M97 VanDerWaalsContact CA-SD 3.55Å; G76-M97 PolarHBondContact N-SD 2.84Å; T95-M97 PolarHBondContact O-N 3.02Å; M97-Y115 HydrophobicContact CB-CD2 4.41Å; M97-Y115 HydrophobicContact CB-CE2 3.82Å; M97-Y115 HydrophobicContact CE-CD1 4.37Å; M97-Y115 HydrophobicContact CE-CD2 3.44Å; M97-Y115 VanDerWaalsContact CE-CD2 3.44Å; M97-Y115 HydrophobicContact CE-CE2 4.01Å; M97-Y115 HydrophobicContact CE-CG 3.65Å; M97-Y115 HydrophobicContact CG-CE2 4.45Å; M97-Y115 WeakPolarHBondContact O-CE2 3.34Å; M97-Y115 PolarHBondContact O-OH 2.94Å; M97-I123 HydrophobicContact CE-CD1 3.75Å; M97-I123 HydrophobicContact CG-CD1 4.3Å; M97-I123 HydrophobicContact SD-CD1 3.9Å; M97-I123 HydrophobicContact SD-CG2 4.13Å; M97-F126 HydrophobicContact CE-CD1 4.48Å; M97-F126 HydrophobicContact CE-CE1 4.12Å; M97-F126 HydrophobicContact SD-CD1 4.05Å; M97-F126 HydrophobicContact SD-CE1 4.23Å |
| 98 | Y | 90.7 | Very high | 82 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 152.6 | -177.1 | 176.4 | -111.3 | 0 | 0 | 0 | 110.6 | I60 L74 W100 P105 L107 L143 | I60-Y98 HydrophobicContact CB-CD1 4.38Å; I60-Y98 HydrophobicContact CB-CG 4.34Å; I60-Y98 HydrophobicContact CD1-CG 4.21Å; I60-Y98 HydrophobicContact CG2-CD1 3.48Å; I60-Y98 VanDerWaalsContact CG2-CD1 3.48Å; I60-Y98 HydrophobicContact CG2-CD2 4.46Å; I60-Y98 HydrophobicContact CG2-CE1 3.74Å; I60-Y98 HydrophobicContact CG2-CG 3.85Å; L74-Y98 PolarHBondContact N-O 2.66Å; L74-Y98 PolarHBondContact O-N 3.47Å; Y98-W100 HydrophobicContact CE1-CB 3.71Å; Y98-P105 PolarHBondContact OH-O 3.05Å; Y98-L107 HydrophobicContact CD2-CB 3.73Å; Y98-L107 HydrophobicContact CD2-CD2 4Å; Y98-L107 HydrophobicContact CD2-CG 4.48Å; Y98-L107 HydrophobicContact CE2-CB 3.59Å; Y98-L143 HydrophobicContact CD1-CD1 3.97Å; Y98-L143 HydrophobicContact CD1-CD2 4.08Å; Y98-L143 HydrophobicContact CE1-CD1 4.46Å; Y98-L143 HydrophobicContact CE1-CD2 3.72Å |
| 99 | A | 86.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | I72 I73 Q229 | I72-A99 CarbonylContact O-C 3.58Å; I72-A99 WeakPolarHBondContact O-CA 3.38Å; I73-A99 HydrophobicContact CG1-CB 4.45Å; A99-Q229 CarbonylContact C-O 3.58Å |
| 100 | W | 87.7 | Confident | 82.3 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.6 | 177.7 | 175.2 | 91.8 | 0 | 0 | 0 | 109.4 | P62 A64 V69 H71 I72 Y98 A104 Q229 | P62-W100 VanDerWaalsContact CB-CD1 3.45Å; P62-W100 HydrophobicContact CB-CD2 4.21Å; P62-W100 HydrophobicContact CB-CG 3.95Å; A64-W100 HydrophobicContact CB-CE3 4.37Å; A64-W100 HydrophobicContact CB-CH2 3.8Å; A64-W100 HydrophobicContact CB-CZ2 4.3Å; A64-W100 HydrophobicContact CB-CZ3 3.85Å; V69-W100 HydrophobicContact CB-CZ3 4.21Å; V69-W100 HydrophobicContact CG1-CE3 4.5Å; V69-W100 HydrophobicContact CG1-CZ3 3.92Å; H71-W100 CarbonylContact C-O 3.56Å; H71-W100 WeakPolarHBondContact CA-O 3.42Å; H71-W100 WeakPolarHBondContact CB-O 3.31Å; I72-W100 HydrophobicContact CB-CB 4.4Å; I72-W100 HydrophobicContact CB-CE3 4.44Å; I72-W100 HydrophobicContact CD1-CE3 4.19Å; I72-W100 HydrophobicContact CG1-CE3 3.99Å; I72-W100 PolarHBondContact N-O 3.05Å; I72-W100 PolarHBondContact O-N 2.72Å; Y98-W100 HydrophobicContact CE1-CB 3.71Å; W100-A104 HydrophobicContact CG-CB 4.22Å; W100-A104 PolarHBondContact NE1-O 2.75Å; W100-Q229 CarbonylContact C-O 3.52Å; W100-Q229 WeakPolarHBondContact CA-O 3.25Å |
| 101 | G | 81.5 | Confident | 82 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 157.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | D103 A104 P228 Q229 | G101-D103 PolarHBondContact O-N 2.81Å; G101-A104 WeakPolarHBondContact O-CB 3.45Å; G101-A104 PolarHBondContact O-N 3.32Å; G101-P228 WeakPolarHBondContact O-CB 3.15Å; G101-Q229 PolarHBondContact N-O 3.5Å; G101-Q229 PolarHBondContact O-N 2.99Å |
| 102 | L | 74.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 54.1 | 45 | -175.1 | -56.2 | 172.4 | 0 | 0 | 0 | 113.8 | A104 P228 | L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 2.74Å; L102-P228 HydrophobicContact CB-CB 3.96Å; L102-P228 HydrophobicContact CB-CG 3.9Å |
| 103 | D | 74 | Confident | 82.1 | Confident | 85 Ų | 85 | 31.9 Ų | 31.9 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 57.4 | 37.9 | -178.9 | -50.8 | -55.6 | 0 | 0 | 0 | 113.6 | R66 G101 | R66-D103 VanDerWaalsContact CB-CG 3.46Å; R66-D103 WeakPolarHBondContact CB-OD1 3.44Å; R66-D103 WeakPolarHBondContact CB-OD2 3.43Å; R66-D103 WeakPolarHBondContact CD-OD2 3.26Å; R66-D103 PolarHBondContact N-OD1 2.89Å; G101-D103 PolarHBondContact O-N 2.81Å |
| 104 | A | 73.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 148.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | W100 G101 L102 P228 A230 | W100-A104 HydrophobicContact CG-CB 4.22Å; W100-A104 PolarHBondContact NE1-O 2.75Å; G101-A104 WeakPolarHBondContact O-CB 3.45Å; G101-A104 PolarHBondContact O-N 3.32Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 2.74Å; A104-P228 HydrophobicContact CB-CB 4.32Å; A104-A230 HydrophobicContact CB-CB 3.9Å |
| 105 | P | 73.3 | Confident | 82.6 | Confident | 54 Ų | 54 | 24.6 Ų | 24.6 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | P | Polyproline II helix | trans | -68.5 | 160.3 | 179.2 | 29.2 | -35.1 | 0 | 0 | 0 | 112.5 | Y98 L333 | Y98-P105 PolarHBondContact OH-O 3.05Å; P105-L333 HydrophobicContact CG-CD2 4.11Å |
| 106 | P | 79 | Confident | 82.9 | Confident | 45 Ų | 45 | 21.9 Ų | 21.9 | 29% | 0.292 | 12% | 0.117 | S | C | . | . | P | Polyproline II helix | trans | -62.2 | 148.3 | 171.6 | 26.5 | -34.7 | 0 | 0 | 0 | 111.9 | L61 | L61-P106 HydrophobicContact CD2-CB 3.57Å; L61-P106 HydrophobicContact CD2-CG 4.39Å |
| 107 | L | 82.9 | Confident | 83 | Confident | 17 Ų | 17 | 20.4 Ų | 20.4 | 9% | 0.089 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126 | 168.6 | 178.9 | 68.7 | 0 | 0 | 0 | 109.4 | E59 I60 Y98 F109 M283 | E59-L107 CarbonylContact C-O 3.55Å; E59-L107 WeakPolarHBondContact CA-O 3.31Å; I60-L107 HydrophobicContact CB-CB 4.34Å; I60-L107 HydrophobicContact CD1-CD2 4.23Å; I60-L107 PolarHBondContact N-O 3.16Å; I60-L107 PolarHBondContact O-N 3.41Å; Y98-L107 HydrophobicContact CD2-CB 3.73Å; Y98-L107 HydrophobicContact CD2-CD2 4Å; Y98-L107 HydrophobicContact CD2-CG 4.48Å; Y98-L107 HydrophobicContact CE2-CB 3.59Å; L107-F109 HydrophobicContact CD2-CE1 4.11Å; L107-F109 HydrophobicContact CD2-CE2 4.17Å; L107-F109 HydrophobicContact CD2-CZ 3.68Å; L107-F109 HydrophobicContact CG-CZ 4.44Å; L107-M283 HydrophobicContact CD1-CE 4.12Å; L107-M283 HydrophobicContact CD1-SD 3.86Å; L107-M283 HydrophobicContact CD2-CE 3.58Å; L107-M283 HydrophobicContact CD2-SD 4.09Å |
| 108 | R | 79.6 | Confident | 83 | Confident | 84 Ų | 84 | 20.4 Ų | 20.4 | 32% | 0.317 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.7 | 169.3 | -60.2 | -167.5 | 168.8 | 139.5 | 8.6 | 109.2 | E59 | E59-R108 HydrophobicContact CB-CG 4.46Å; E59-R108 HydrophobicContact CG-CB 4.23Å; E59-R108 HydrophobicContact CG-CG 3.9Å; E59-R108 WeakPolarHBondContact OE2-CD 3.13Å; E59-R108 WeakPolarHBondContact OE2-CG 3.35Å; E59-R108 IonicContact OE2-CZ 3.54Å; E59-R108 IonicContact OE2-NE 2.84Å; E59-R108 PolarHBondContact OE2-NE 2.8Å; E59-R108 IonicContact OE2-NH2 3.66Å |
| 109 | F | 83.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 23.3 Ų | 23.3 | 7% | 0.066 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 155 | 174.8 | -73.6 | -60.5 | 0 | 0 | 0 | 112 | I57 R58 L107 V113 Y115 A156 M192 M283 | I57-F109 WeakPolarHBondContact O-CD2 3.35Å; R58-F109 WeakPolarHBondContact O-CB 3.47Å; R58-F109 WeakPolarHBondContact O-CD2 3.45Å; R58-F109 PolarHBondContact O-N 3.46Å; L107-F109 HydrophobicContact CD2-CE1 4.11Å; L107-F109 HydrophobicContact CD2-CE2 4.17Å; L107-F109 HydrophobicContact CD2-CZ 3.68Å; L107-F109 HydrophobicContact CG-CZ 4.44Å; F109-V113 HydrophobicContact CB-CB 4.06Å; F109-V113 HydrophobicContact CB-CG1 4.06Å; F109-V113 WeakPolarHBondContact CB-O 3.36Å; F109-V113 HydrophobicContact CD1-CG1 3.86Å; F109-V113 HydrophobicContact CG-CG1 4.09Å; F109-Y115 AromaticContact CE2-CD2 3.72Å; F109-Y115 HydrophobicContact CE2-CD2 3.72Å; F109-Y115 AromaticContact CE2-CE2 3.84Å; F109-Y115 HydrophobicContact CE2-CE2 3.84Å; F109-Y115 HydrophobicContact CE2-CG 4.42Å; F109-Y115 AromaticContact CZ-CD2 3.74Å; F109-Y115 HydrophobicContact CZ-CD2 3.74Å; F109-Y115 HydrophobicContact CZ-CE1 4.45Å; F109-Y115 AromaticContact CZ-CE2 3.41Å; F109-Y115 HydrophobicContact CZ-CE2 3.41Å; F109-Y115 VanDerWaalsContact CZ-CE2 3.41Å; F109-Y115 HydrophobicContact CZ-CG 4.41Å; F109-Y115 AromaticContact CZ-CZ 3.78Å; F109-A156 HydrophobicContact CD1-CB 4.14Å; F109-A156 HydrophobicContact CE1-CB 3.59Å; F109-A156 HydrophobicContact CE2-CB 4.36Å; F109-A156 HydrophobicContact CZ-CB 3.73Å; F109-M192 HydrophobicContact CD1-CE 3.55Å; F109-M192 HydrophobicContact CD1-SD 4.46Å; F109-M192 HydrophobicContact CE1-CE 3.56Å; F109-M283 HydrophobicContact CE1-CG 4.48Å; F109-M283 HydrophobicContact CE1-SD 3.74Å; F109-M283 HydrophobicContact CZ-SD 4.41Å |
| 110 | P | 78 | Confident | 82.5 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 158 | 165.7 | -13.7 | 21.6 | 0 | 0 | 0 | 111.3 | G112 V113 M192 L340 | P110-G112 PolarHBondContact O-N 2.86Å; P110-V113 HydrophobicContact CB-CB 4.33Å; P110-V113 HydrophobicContact CB-CG2 3.86Å; P110-V113 HydrophobicContact CG-CB 4.26Å; P110-V113 HydrophobicContact CG-CG2 3.9Å; P110-V113 WeakPolarHBondContact O-CB 3.36Å; P110-V113 PolarHBondContact O-N 3.28Å; P110-V113 VanDerWaalsContact O-N 3.14Å; P110-M192 HydrophobicContact CG-SD 3.73Å; P110-L340 HydrophobicContact CB-CD2 3.84Å; P110-L340 HydrophobicContact CG-CD2 3.63Å |
| 111 | L | 77.2 | Confident | 82.4 | Confident | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 133.7 | 175.3 | -174.1 | 63.1 | 0 | 0 | 0 | 109.6 | V113 V351 F692 G724 F725 V726 | L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V351 HydrophobicContact CD2-CG2 4.37Å; L111-F692 HydrophobicContact CD2-CD2 4.16Å; L111-F692 HydrophobicContact CD2-CE2 3.83Å; L111-G724 CarbonylContact O-C 3.54Å; L111-G724 WeakPolarHBondContact O-CA 3.48Å; L111-F725 CarbonylContact C-O 3.56Å; L111-F725 VanDerWaalsContact C-O 3.31Å; L111-F725 PolarHBondContact O-N 2.86Å; L111-V726 HydrophobicContact CD1-CG2 4.42Å; L111-V726 HydrophobicContact CD2-CG2 3.6Å; L111-V726 HydrophobicContact CG-CG2 3.89Å |
| 112 | G | 81.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 10 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P110 Q152 P153 R154 F725 | P110-G112 PolarHBondContact O-N 2.86Å; G112-Q152 VanDerWaalsContact CA-OE1 3.24Å; G112-P153 WeakPolarHBondContact O-CD 3.35Å; G112-R154 PolarHBondContact O-N 2.82Å; G112-F725 WeakPolarHBondContact CA-O 3.26Å; G112-F725 PolarHBondContact N-O 3.42Å; G112-F725 VanDerWaalsContact N-O 3.13Å |
| 113 | V | 85.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.2 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | F109 P110 L111 R154 A156 M192 H285 | F109-V113 HydrophobicContact CB-CB 4.06Å; F109-V113 HydrophobicContact CB-CG1 4.06Å; F109-V113 WeakPolarHBondContact CB-O 3.36Å; F109-V113 HydrophobicContact CD1-CG1 3.86Å; F109-V113 HydrophobicContact CG-CG1 4.09Å; P110-V113 HydrophobicContact CB-CB 4.33Å; P110-V113 HydrophobicContact CB-CG2 3.86Å; P110-V113 HydrophobicContact CG-CB 4.26Å; P110-V113 HydrophobicContact CG-CG2 3.9Å; P110-V113 WeakPolarHBondContact O-CB 3.36Å; P110-V113 PolarHBondContact O-N 3.28Å; P110-V113 VanDerWaalsContact O-N 3.14Å; L111-V113 VanDerWaalsContact C-N 3.33Å; V113-R154 WeakPolarHBondContact CA-O 3.1Å; V113-R154 HydrophobicContact CG2-CB 3.93Å; V113-A156 HydrophobicContact CG1-CB 3.95Å; V113-M192 HydrophobicContact CG1-CE 4.13Å; V113-H285 HydrophobicContact CG1-CB 3.76Å; V113-H285 HydrophobicContact CG2-CB 4.07Å |
| 114 | G | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 165.2 | 170 | 0 | 0 | 0 | 0 | 0 | 114.3 | I57 P116 R154 I155 A156 | I57-G114 CarbonylContact O-C 3.53Å; I57-G114 WeakPolarHBondContact O-CA 3.33Å; G114-P116 WeakPolarHBondContact O-CD 3.3Å; G114-R154 PolarHBondContact N-O 2.88Å; G114-I155 WeakPolarHBondContact O-CA 3.39Å; G114-A156 PolarHBondContact O-N 2.94Å |
| 115 | Y | 92.3 | Very high | 84.8 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123 | 174.8 | -73.9 | -57.2 | 0 | 0 | 0 | 111 | F56 I57 I60 M97 F109 I123 A156 V158 | F56-Y115 VanDerWaalsContact CA-O 3.29Å; F56-Y115 WeakPolarHBondContact CA-O 3.19Å; I57-Y115 PolarHBondContact N-O 3.23Å; I57-Y115 PolarHBondContact O-N 3.45Å; I57-Y115 VanDerWaalsContact O-N 3.07Å; I60-Y115 HydrophobicContact CD1-CD2 4.45Å; I60-Y115 HydrophobicContact CD1-CE2 4.26Å; M97-Y115 HydrophobicContact CB-CD2 4.41Å; M97-Y115 HydrophobicContact CB-CE2 3.82Å; M97-Y115 HydrophobicContact CE-CD1 4.37Å; M97-Y115 HydrophobicContact CE-CD2 3.44Å; M97-Y115 VanDerWaalsContact CE-CD2 3.44Å; M97-Y115 HydrophobicContact CE-CE2 4.01Å; M97-Y115 HydrophobicContact CE-CG 3.65Å; M97-Y115 HydrophobicContact CG-CE2 4.45Å; M97-Y115 WeakPolarHBondContact O-CE2 3.34Å; M97-Y115 PolarHBondContact O-OH 2.94Å; F109-Y115 AromaticContact CE2-CD2 3.72Å; F109-Y115 HydrophobicContact CE2-CD2 3.72Å; F109-Y115 AromaticContact CE2-CE2 3.84Å; F109-Y115 HydrophobicContact CE2-CE2 3.84Å; F109-Y115 HydrophobicContact CE2-CG 4.42Å; F109-Y115 AromaticContact CZ-CD2 3.74Å; F109-Y115 HydrophobicContact CZ-CD2 3.74Å; F109-Y115 HydrophobicContact CZ-CE1 4.45Å; F109-Y115 AromaticContact CZ-CE2 3.41Å; F109-Y115 HydrophobicContact CZ-CE2 3.41Å; F109-Y115 VanDerWaalsContact CZ-CE2 3.41Å; F109-Y115 HydrophobicContact CZ-CG 4.41Å; F109-Y115 AromaticContact CZ-CZ 3.78Å; Y115-I123 HydrophobicContact CD1-CD1 4.33Å; Y115-A156 HydrophobicContact CD1-CB 3.75Å; Y115-A156 VanDerWaalsContact CD1-O 3.24Å; Y115-A156 WeakPolarHBondContact CD1-O 3.38Å; Y115-A156 HydrophobicContact CE1-CB 3.75Å; Y115-A156 WeakPolarHBondContact CE1-O 3.41Å; Y115-A156 HydrophobicContact CG-CB 4.27Å; Y115-V158 VanDerWaalsContact OH-CG2 3.3Å; Y115-V158 WeakPolarHBondContact OH-CG2 3.45Å |
| 116 | P | 91.8 | Very high | 85.8 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.1 | 175 | 31.2 | -34.5 | 0 | 0 | 0 | 110.9 | T54 F56 G114 A121 I155 | T54-P116 HydrophobicContact CG2-CB 4.17Å; F56-P116 HydrophobicContact CD1-CB 4.23Å; F56-P116 HydrophobicContact CE1-CB 3.96Å; G114-P116 WeakPolarHBondContact O-CD 3.3Å; P116-A121 HydrophobicContact CB-CB 4.25Å; P116-I155 HydrophobicContact CB-CG2 4.24Å; P116-I155 HydrophobicContact CG-CB 4.19Å; P116-I155 HydrophobicContact CG-CG2 3.83Å |
| 117 | T | 91.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146 | -176.7 | 70.9 | 0 | 0 | 0 | 0 | 112 | T55 I57 I123 F126 | T55-T117 PolarHBondContact N-O 2.81Å; T55-T117 PolarHBondContact O-N 3.29Å; T55-T117 PolarHBondContact O-OG1 2.82Å; T55-T117 PolarHBondContact OG1-O 3.26Å; T55-T117 PolarHBondContact OG1-OG1 2.8Å; T55-T117 VanDerWaalsContact OG1-OG1 3.05Å; I57-T117 HydrophobicContact CD1-CG2 3.76Å; I57-T117 HydrophobicContact CG1-CG2 4.15Å; T117-I123 VanDerWaalsContact CA-O 3.25Å; T117-I123 WeakPolarHBondContact CA-O 3.44Å; T117-I123 HydrophobicContact CG2-CB 4.07Å; T117-I123 HydrophobicContact CG2-CG2 3.99Å; T117-F126 HydrophobicContact CG2-CE1 3.82Å; T117-F126 HydrophobicContact CG2-CZ 3.85Å |
| 118 | G | 88.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 135.9 | 172.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N120 A121 I123 | G118-N120 PolarHBondContact O-N 2.69Å; G118-A121 PolarHBondContact O-N 3.24Å; G118-A121 VanDerWaalsContact O-N 3.07Å; G118-I123 PolarHBondContact N-O 3.26Å |
| 119 | L | 85.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 24.3 Ų | 24.3 | 34% | 0.335 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.3 | -175.6 | -67.4 | 177.4 | 0 | 0 | 0 | 113.6 | L51 P80 K124 | L51-L119 HydrophobicContact CB-CD1 4.14Å; L51-L119 HydrophobicContact CB-CG 4.45Å; L51-L119 HydrophobicContact CD2-CG 4.43Å; L51-L119 WeakPolarHBondContact O-CB 3.34Å; L51-L119 WeakPolarHBondContact O-CD1 3.39Å; L51-L119 VanDerWaalsContact O-CG 3.26Å; L51-L119 WeakPolarHBondContact O-CG 3.33Å; P80-L119 HydrophobicContact CB-CD2 3.99Å; P80-L119 HydrophobicContact CG-CD2 3.67Å; L119-K124 WeakPolarHBondContact O-CE 3.45Å |
| 120 | N | 81.9 | Confident | 88.1 | Confident | 136 Ų | 136 | 23.6 Ų | 23.6 | 73% | 0.727 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.8 | 177.5 | -65.7 | -2.1 | 0 | 0 | 0 | 113.4 | G118 | G118-N120 PolarHBondContact O-N 2.69Š|
| 121 | A | 84.5 | Confident | 88.6 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 10% | 0.099 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -101.5 | 172.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T54 P116 G118 I123 K124 | T54-A121 HydrophobicContact CG2-CB 4.27Å; P116-A121 HydrophobicContact CB-CB 4.25Å; G118-A121 PolarHBondContact O-N 3.24Å; G118-A121 VanDerWaalsContact O-N 3.07Å; A121-I123 VanDerWaalsContact C-N 3.32Å; A121-K124 WeakPolarHBondContact O-CE 3.44Å; A121-K124 WeakPolarHBondContact O-CG 3.32Å |
| 122 | Q | 82.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 22 Ų | 22 | 60% | 0.598 | 11% | 0.112 | S | C | * | . | S | Bend | trans | -63.1 | -39 | 171.3 | -68.8 | 179.9 | -7.4 | 0 | 0 | 111.5 | S78 | S78-Q122 WeakPolarHBondContact CA-O 3.26Š|
| 123 | I | 89.2 | Confident | 89 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -99 | 104 | -177.6 | -58.6 | 164.8 | 0 | 0 | 0 | 109.8 | M97 Y115 T117 G118 A121 G125 F126 | M97-I123 HydrophobicContact CE-CD1 3.75Å; M97-I123 HydrophobicContact CG-CD1 4.3Å; M97-I123 HydrophobicContact SD-CD1 3.9Å; M97-I123 HydrophobicContact SD-CG2 4.13Å; Y115-I123 HydrophobicContact CD1-CD1 4.33Å; T117-I123 VanDerWaalsContact CA-O 3.25Å; T117-I123 WeakPolarHBondContact CA-O 3.44Å; T117-I123 HydrophobicContact CG2-CB 4.07Å; T117-I123 HydrophobicContact CG2-CG2 3.99Å; G118-I123 PolarHBondContact N-O 3.26Å; A121-I123 VanDerWaalsContact C-N 3.32Å; I123-G125 WeakPolarHBondContact CG2-O 3.42Å; I123-F126 HydrophobicContact CG2-CD1 4.05Å; I123-F126 HydrophobicContact CG2-CE1 3.72Å |
| 124 | K | 91.6 | Very high | 89 | Confident | 62 Ų | 62 | 29.2 Ų | 29.2 | 27% | 0.27 | 15% | 0.15 | S | C | . | . | trans | -102 | -0.2 | -175 | -55 | -176 | -170.8 | 156.4 | 0 | 113.4 | C77 S78 P80 L119 A121 | C77-K124 PolarHBondContact O-N 2.97Å; S78-K124 WeakPolarHBondContact O-CD 3.14Å; S78-K124 PolarHBondContact O-NZ 3.5Å; P80-K124 HydrophobicContact CG-CB 4.21Å; P80-K124 HydrophobicContact CG-CD 4.31Å; L119-K124 WeakPolarHBondContact O-CE 3.45Å; A121-K124 WeakPolarHBondContact O-CE 3.44Å; A121-K124 WeakPolarHBondContact O-CG 3.32Å | ||
| 125 | G | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F46 C77 I123 | F46-G125 WeakPolarHBondContact O-CA 3.14Å; C77-G125 WeakPolarHBondContact CB-O 3.41Å; C77-G125 PolarHBondContact N-O 3.46Å; C77-G125 PolarHBondContact SG-O 3Å; C77-G125 VanDerWaalsContact SG-O 3.41Å; I123-G125 WeakPolarHBondContact CG2-O 3.42Å |
| 126 | F | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.3 | -178 | -48.6 | -63.8 | 0 | 0 | 0 | 111.7 | L28 Y45 F46 P48 I57 L74 K75 M97 T117 I123 L145 | L28-F126 HydrophobicContact CD1-CB 4.21Å; L28-F126 HydrophobicContact CD1-CD2 4.17Å; L28-F126 HydrophobicContact CD1-CG 4.23Å; L28-F126 HydrophobicContact CD2-CD2 4.19Å; Y45-F126 VanDerWaalsContact CA-O 3.28Å; Y45-F126 WeakPolarHBondContact CA-O 3.33Å; F46-F126 HydrophobicContact CB-CB 4.42Å; F46-F126 HydrophobicContact CB-CD2 4.25Å; F46-F126 PolarHBondContact N-O 2.58Å; F46-F126 PolarHBondContact O-N 2.88Å; P48-F126 HydrophobicContact CB-CE2 4.43Å; P48-F126 HydrophobicContact CG-CE2 4.23Å; P48-F126 HydrophobicContact CG-CZ 4.25Å; I57-F126 HydrophobicContact CD1-CE1 3.82Å; I57-F126 HydrophobicContact CD1-CZ 3.87Å; L74-F126 HydrophobicContact CD1-CB 4.03Å; K75-F126 WeakPolarHBondContact O-CA 3.45Å; M97-F126 HydrophobicContact CE-CD1 4.48Å; M97-F126 HydrophobicContact CE-CE1 4.12Å; M97-F126 HydrophobicContact SD-CD1 4.05Å; M97-F126 HydrophobicContact SD-CE1 4.23Å; T117-F126 HydrophobicContact CG2-CE1 3.82Å; T117-F126 HydrophobicContact CG2-CZ 3.85Å; I123-F126 HydrophobicContact CG2-CD1 4.05Å; I123-F126 HydrophobicContact CG2-CE1 3.72Å; F126-L145 HydrophobicContact CE2-CD1 4.2Å; F126-L145 HydrophobicContact CZ-CD1 4.27Å |
| 127 | E | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.9 | 163.7 | 179.8 | 177.9 | 139.4 | 0 | 0 | 107.7 | C43 Y45 K75 G91 M92 C93 | C43-E127 HydrophobicContact CB-CG 4.45Å; Y45-E127 HydrophobicContact CD1-CB 3.76Å; Y45-E127 HydrophobicContact CD1-CG 4.05Å; Y45-E127 HydrophobicContact CE1-CB 3.5Å; Y45-E127 VanDerWaalsContact CE1-CB 3.5Å; Y45-E127 HydrophobicContact CE1-CG 3.41Å; Y45-E127 VanDerWaalsContact CE1-CG 3.41Å; Y45-E127 VanDerWaalsContact CE1-OE2 3.28Å; Y45-E127 WeakPolarHBondContact CE1-OE2 3.29Å; Y45-E127 PolarHBondContact OH-OE2 3.19Å; K75-E127 HydrophobicContact CB-CB 4.24Å; K75-E127 PolarHBondContact N-O 2.73Å; K75-E127 IonicContact NZ-OE1 2.73Å; K75-E127 PolarHBondContact NZ-OE1 2.51Å; K75-E127 PolarHBondContact O-N 3.47Å; G91-E127 PolarHBondContact N-OE1 3.04Å; G91-E127 PolarHBondContact N-OE2 3.24Å; M92-E127 PolarHBondContact N-OE2 3.48Å; C93-E127 HydrophobicContact CB-CB 3.82Å; C93-E127 WeakPolarHBondContact CB-OE2 3.34Å; C93-E127 PolarHBondContact N-OE2 2.88Å |
| 128 | L | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.9 | 170.7 | -179.6 | 75.4 | 0 | 0 | 0 | 107.8 | L28 M30 C43 A44 F46 I72 V130 L143 | L28-L128 HydrophobicContact CB-CD2 4.44Å; L28-L128 VanDerWaalsContact O-CD2 3.3Å; L28-L128 WeakPolarHBondContact O-CD2 3.19Å; M30-L128 HydrophobicContact CG-CD2 4.21Å; M30-L128 HydrophobicContact SD-CD2 4Å; C43-L128 CarbonylContact C-O 3.48Å; C43-L128 VanDerWaalsContact CA-O 3.26Å; C43-L128 WeakPolarHBondContact CA-O 3.46Å; A44-L128 PolarHBondContact N-O 2.86Å; A44-L128 PolarHBondContact O-N 2.88Å; F46-L128 HydrophobicContact CD2-CB 4.34Å; F46-L128 HydrophobicContact CE2-CB 3.84Å; F46-L128 HydrophobicContact CE2-CD2 4.05Å; F46-L128 HydrophobicContact CZ-CD2 4.47Å; I72-L128 HydrophobicContact CG2-CD1 3.54Å; L128-V130 HydrophobicContact CD2-CG2 4.26Å; L128-V130 HydrophobicContact CG-CG2 4.07Å; L128-L143 HydrophobicContact CD1-CD1 3.79Å; L128-L143 HydrophobicContact CD1-CG 3.86Å |
| 129 | E | 92.6 | Very high | 88.1 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.3 | 173.8 | -178.4 | 176.4 | 136.5 | 0 | 0 | 109.3 | Y41 C43 I72 I73 K75 | Y41-E129 HydrophobicContact CD1-CG 4.35Å; C43-E129 VanDerWaalsContact SG-CB 3.51Å; I72-E129 CarbonylContact C-O 3.52Å; I72-E129 VanDerWaalsContact CA-O 3.3Å; I72-E129 WeakPolarHBondContact CA-O 3.24Å; I73-E129 HydrophobicContact CB-CB 4.29Å; I73-E129 PolarHBondContact N-O 3.12Å; I73-E129 PolarHBondContact O-N 2.94Å; K75-E129 VanDerWaalsContact CE-OE2 3.26Å; K75-E129 WeakPolarHBondContact CE-OE2 3.31Å; K75-E129 IonicContact NZ-OE2 3.52Å; K75-E129 PolarHBondContact NZ-OE2 3.06Å |
| 130 | V | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.8 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | M30 M42 V69 I72 L128 Y132 | M30-V130 HydrophobicContact CE-CB 4.17Å; M30-V130 HydrophobicContact CE-CG2 4.12Å; M30-V130 HydrophobicContact CG-CB 4.34Å; M30-V130 HydrophobicContact CG-CG2 3.65Å; M30-V130 HydrophobicContact SD-CG2 3.95Å; M42-V130 PolarHBondContact N-O 2.92Å; M42-V130 PolarHBondContact O-N 2.85Å; V69-V130 HydrophobicContact CB-CG1 4.28Å; V69-V130 HydrophobicContact CG1-CG1 3.59Å; V69-V130 HydrophobicContact CG2-CG1 3.62Å; I72-V130 HydrophobicContact CG1-CG1 4.23Å; I72-V130 HydrophobicContact CG1-CG2 4.23Å; I72-V130 HydrophobicContact CG2-CG2 4.48Å; L128-V130 HydrophobicContact CD2-CG2 4.26Å; L128-V130 HydrophobicContact CG-CG2 4.07Å; V130-Y132 HydrophobicContact CB-CD2 4.48Å; V130-Y132 HydrophobicContact CB-CE2 3.77Å; V130-Y132 HydrophobicContact CG1-CD2 4.08Å; V130-Y132 HydrophobicContact CG1-CE1 4.03Å; V130-Y132 HydrophobicContact CG1-CE2 3.48Å; V130-Y132 VanDerWaalsContact CG1-CE2 3.48Å; V130-Y132 VanDerWaalsContact CG1-CZ 3.46Å |
| 131 | H | 88.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.5 | 174.9 | -178.5 | -166.4 | 0 | 0 | 0 | 110.6 | D39 Y41 H70 H71 | D39-H131 WeakPolarHBondContact CA-NE2 3.32Å; D39-H131 IonicContact OD1-CE1 2.78Å; D39-H131 PolarHBondContact OD1-CE1 3.08Å; D39-H131 IonicContact OD1-NE2 3.28Å; D39-H131 PolarHBondContact OD1-NE2 2.91Å; Y41-H131 HydrophobicContact CD1-CB 3.95Å; Y41-H131 AromaticContact CD2-CD2 3.99Å; Y41-H131 HydrophobicContact CE1-CB 3.73Å; Y41-H131 AromaticContact CE1-CG 3.74Å; Y41-H131 AromaticContact CE1-ND1 3.88Å; Y41-H131 AromaticContact CE2-CD2 3.72Å; Y41-H131 AromaticContact CE2-CE1 3.75Å; Y41-H131 AromaticContact CE2-CG 3.88Å; Y41-H131 AromaticContact CE2-ND1 3.87Å; Y41-H131 AromaticContact CE2-NE2 3.7Å; Y41-H131 AromaticContact CZ-CD2 3.91Å; Y41-H131 AromaticContact CZ-CE1 3.66Å; Y41-H131 AromaticContact CZ-CG 3.55Å; Y41-H131 AromaticContact CZ-ND1 3.36Å; Y41-H131 PolarHBondContact OH-CE1 3.37Å; Y41-H131 PolarHBondContact OH-ND1 2.91Å; Y41-H131 VanDerWaalsContact OH-ND1 3.12Å; H70-H131 WeakPolarHBondContact CB-O 3.42Å; H70-H131 PolarHBondContact N-O 2.86Å; H70-H131 AromaticContact ND1-CE1 3.57Å; H70-H131 AromaticContact ND1-ND1 3.33Å; H70-H131 PolarHBondContact ND1-ND1 2.85Å; H71-H131 AromaticContact CE1-CG 3.83Å; H71-H131 AromaticContact CE1-ND1 3.29Å; H71-H131 PolarHBondContact CE1-ND1 3.4Å; H71-H131 VanDerWaalsContact CE1-ND1 3.29Å; H71-H131 AromaticContact ND1-ND1 3.62Å; H71-H131 PolarHBondContact O-N 3.15Å |
| 132 | Y | 87.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.3 | 176.9 | -63.4 | -85.6 | 0 | 0 | 0 | 111.3 | M30 V33 V35 D39 T40 M42 T68 V69 V130 V136 D139 | M30-Y132 HydrophobicContact CE-CE2 4.44Å; V33-Y132 HydrophobicContact CG2-CE2 4.25Å; V33-Y132 WeakPolarHBondContact CG2-OH 3.48Å; V35-Y132 HydrophobicContact CG2-CD2 3.75Å; V35-Y132 HydrophobicContact CG2-CE2 4.16Å; V35-Y132 HydrophobicContact CG2-CG 3.94Å; D39-Y132 WeakPolarHBondContact CA-O 3.49Å; D39-Y132 PolarHBondContact N-O 2.84Å; T40-Y132 PolarHBondContact N-O 3.42Å; T40-Y132 PolarHBondContact O-N 3.3Å; M42-Y132 HydrophobicContact CB-CE2 4.15Å; M42-Y132 HydrophobicContact CG-CD2 4.42Å; M42-Y132 HydrophobicContact CG-CE2 4.36Å; T68-Y132 WeakPolarHBondContact O-CD1 3.34Å; V69-Y132 HydrophobicContact CG2-CD1 4.04Å; V69-Y132 HydrophobicContact CG2-CE1 3.64Å; V130-Y132 HydrophobicContact CB-CD2 4.48Å; V130-Y132 HydrophobicContact CB-CE2 3.77Å; V130-Y132 HydrophobicContact CG1-CD2 4.08Å; V130-Y132 HydrophobicContact CG1-CE1 4.03Å; V130-Y132 HydrophobicContact CG1-CE2 3.48Å; V130-Y132 VanDerWaalsContact CG1-CE2 3.48Å; V130-Y132 VanDerWaalsContact CG1-CZ 3.46Å; Y132-V136 HydrophobicContact CD1-CG1 4.37Å; Y132-V136 HydrophobicContact CD1-CG2 3.52Å; Y132-V136 HydrophobicContact CE1-CG2 3.72Å; Y132-V136 HydrophobicContact CG-CG2 4.2Å; Y132-D139 HydrophobicContact CE1-CB 4.06Å; Y132-D139 VanDerWaalsContact CE1-OD2 3.25Å; Y132-D139 WeakPolarHBondContact CE1-OD2 3.49Å; Y132-D139 PolarHBondContact OH-OD2 2.83Å |
| 133 | L | 79.5 | Confident | 89.8 | Confident | 77 Ų | 77 | 32.3 Ų | 32.3 | 40% | 0.403 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -73.8 | -36.7 | 177.7 | -141.6 | 81.1 | 0 | 0 | 0 | 112.2 | Q38 D39 H70 | Q38-L133 WeakPolarHBondContact CA-O 3.35Å; Q38-L133 WeakPolarHBondContact CB-O 3.33Å; D39-L133 PolarHBondContact N-O 3.11Å; H70-L133 HydrophobicContact CB-CB 4.34Å; H70-L133 HydrophobicContact CB-CD1 3.91Å |
| 134 | N | 86.1 | Confident | 89.9 | Confident | 78 Ų | 78 | 35.1 Ų | 35.1 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -120 | 153.4 | -175.2 | -69 | -55.7 | 0 | 0 | 0 | 111.2 | V136 | N134-V136 PolarHBondContact O-N 3.13Š|
| 135 | P | 86.1 | Confident | 90 | Very high | 71 Ų | 71 | 32.2 Ų | 32.2 | 46% | 0.461 | 16% | 0.164 | S | C | . | . | trans | -57.7 | 128.5 | 171.5 | -26 | 36.4 | 0 | 0 | 0 | 111.9 | V35 E36 Q38 | V35-P135 CarbonylContact O-C 3.6Å; V35-P135 WeakPolarHBondContact O-CA 3.38Å; V35-P135 VanDerWaalsContact O-CB 3.26Å; V35-P135 WeakPolarHBondContact O-CB 3.48Å; E36-P135 WeakPolarHBondContact O-CG 3.4Å; Q38-P135 HydrophobicContact CG-CG 4.4Å | ||
| 136 | V | 86.5 | Confident | 89.8 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.9 | 179 | -69.4 | 0 | 0 | 0 | 0 | 110.7 | N34 V35 T68 Y132 N134 D139 | N34-V136 WeakPolarHBondContact CA-O 3.33Å; V35-V136 HydrophobicContact CB-CG2 3.83Å; V35-V136 HydrophobicContact CG2-CG2 3.87Å; V35-V136 PolarHBondContact N-O 2.99Å; V35-V136 PolarHBondContact O-N 2.87Å; T68-V136 HydrophobicContact CG2-CG1 4.19Å; Y132-V136 HydrophobicContact CD1-CG1 4.37Å; Y132-V136 HydrophobicContact CD1-CG2 3.52Å; Y132-V136 HydrophobicContact CE1-CG2 3.72Å; Y132-V136 HydrophobicContact CG-CG2 4.2Å; N134-V136 PolarHBondContact O-N 3.13Å; V136-D139 HydrophobicContact CB-CB 4.24Å; V136-D139 HydrophobicContact CG2-CB 3.83Å |
| 137 | K | 86.6 | Confident | 89.6 | Confident | 192 Ų | 192 | 32.7 Ų | 32.7 | 84% | 0.835 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.8 | 175.8 | -67.6 | -174.4 | 177.4 | -176.9 | 0 | 109.9 | N34 D139 | N34-K137 WeakPolarHBondContact OD1-CA 3.33Å; K137-D139 PolarHBondContact O-N 2.8Å |
| 138 | S | 87.4 | Confident | 89 | Confident | 59 Ų | 59 | 32.7 Ų | 32.7 | 41% | 0.413 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 47.1 | 176.7 | 180 | 0 | 0 | 0 | 0 | 113.5 | V33 N34 H140 | V33-S138 WeakPolarHBondContact O-CA 3.44Å; V33-S138 PolarHBondContact O-N 2.79Å; N34-S138 PolarHBondContact OD1-N 2.83Å; S138-H140 PolarHBondContact O-CE1 2.97Å; S138-H140 PolarHBondContact O-ND1 2.89Å |
| 139 | D | 88.7 | Confident | 88.5 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149.3 | 178.9 | -175.6 | 75.7 | 0 | 0 | 0 | 113 | F32 V33 Y132 V136 K137 S141 | F32-D139 WeakPolarHBondContact CA-O 3.18Å; F32-D139 PolarHBondContact N-O 3.17Å; V33-D139 HydrophobicContact CG2-CB 4.07Å; V33-D139 PolarHBondContact N-O 3.01Å; V33-D139 VanDerWaalsContact N-O 3.09Å; V33-D139 PolarHBondContact O-N 3.41Å; Y132-D139 HydrophobicContact CE1-CB 4.06Å; Y132-D139 VanDerWaalsContact CE1-OD2 3.25Å; Y132-D139 WeakPolarHBondContact CE1-OD2 3.49Å; Y132-D139 PolarHBondContact OH-OD2 2.83Å; V136-D139 HydrophobicContact CB-CB 4.24Å; V136-D139 HydrophobicContact CG2-CB 3.83Å; K137-D139 PolarHBondContact O-N 2.8Å; D139-S141 PolarHBondContact OD1-OG 2.98Å; D139-S141 WeakPolarHBondContact OD2-CB 2.94Å; D139-S141 PolarHBondContact OD2-N 2.91Å; D139-S141 PolarHBondContact OD2-OG 3.19Å |
| 140 | H | 90.9 | Very high | 87.7 | Confident | 61 Ų | 61 | 34.9 Ų | 34.9 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | trans | -129.8 | 13.4 | -174.4 | -69.9 | 87.5 | 0 | 0 | 0 | 113.6 | K29 M30 F32 S138 | K29-H140 WeakPolarHBondContact CB-O 3.39Å; K29-H140 WeakPolarHBondContact CG-O 3.34Å; M30-H140 PolarHBondContact O-CD2 3.17Å; F32-H140 VanDerWaalsContact CA-NE2 3.33Å; F32-H140 WeakPolarHBondContact CA-NE2 3.27Å; F32-H140 AromaticContact CD1-CE1 3.13Å; F32-H140 WeakPolarHBondContact CD1-CE1 3.47Å; F32-H140 AromaticContact CD1-NE2 3.07Å; F32-H140 WeakPolarHBondContact CD1-NE2 3.42Å; F32-H140 AromaticContact CD2-NE2 3.07Å; F32-H140 WeakPolarHBondContact CD2-NE2 3.36Å; F32-H140 AromaticContact CE1-CE1 3.36Å; F32-H140 WeakPolarHBondContact CE1-CE1 3.41Å; F32-H140 AromaticContact CE1-NE2 3.22Å; F32-H140 WeakPolarHBondContact CE1-NE2 3.47Å; F32-H140 AromaticContact CE2-NE2 3.22Å; F32-H140 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H140 AromaticContact CG-CE1 3.44Å; F32-H140 VanDerWaalsContact CG-CE1 3.44Å; F32-H140 WeakPolarHBondContact CG-CE1 3.48Å; F32-H140 AromaticContact CG-NE2 2.95Å; F32-H140 WeakPolarHBondContact CG-NE2 3.38Å; F32-H140 AromaticContact CZ-CE1 3.88Å; F32-H140 AromaticContact CZ-NE2 3.27Å; F32-H140 VanDerWaalsContact CZ-NE2 3.27Å; F32-H140 WeakPolarHBondContact CZ-NE2 3.23Å; F32-H140 PolarHBondContact N-NE2 3.16Å; S138-H140 PolarHBondContact O-CE1 2.97Å; S138-H140 PolarHBondContact O-ND1 2.89Å | ||
| 141 | S | 91.9 | Very high | 87.1 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | trans | -61.8 | 148.8 | -175.5 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | M30 S63 V69 D139 | M30-S141 VanDerWaalsContact CG-O 3.26Å; M30-S141 WeakPolarHBondContact CG-O 3.38Å; M30-S141 PolarHBondContact N-O 2.83Å; M30-S141 VanDerWaalsContact N-O 3.08Å; S63-S141 WeakPolarHBondContact O-CA 3.13Å; V69-S141 WeakPolarHBondContact CG2-OG 3.37Å; D139-S141 PolarHBondContact OD1-OG 2.98Å; D139-S141 WeakPolarHBondContact OD2-CB 2.94Å; D139-S141 PolarHBondContact OD2-N 2.91Å; D139-S141 PolarHBondContact OD2-OG 3.19Å | ||
| 142 | G | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -151.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 S63 | L28-G142 CarbonylContact O-C 3.52Å; L28-G142 VanDerWaalsContact O-CA 3.29Å; L28-G142 WeakPolarHBondContact O-CA 3.33Å; S63-G142 CarbonylContact C-O 3.55Å; S63-G142 WeakPolarHBondContact CA-O 3.12Å; S63-G142 PolarHBondContact N-O 3.01Å; S63-G142 PolarHBondContact O-N 2.92Å; S63-G142 VanDerWaalsContact O-N 3.11Å |
| 143 | L | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.1 | -174 | -55.8 | 175.1 | 0 | 0 | 0 | 110.8 | L28 I60 L61 I72 L74 Y98 L128 | L28-L143 CarbonylContact C-O 3.51Å; L28-L143 PolarHBondContact N-O 3.33Å; L28-L143 PolarHBondContact O-N 2.89Å; I60-L143 HydrophobicContact CG2-CB 4.33Å; I60-L143 HydrophobicContact CG2-CD1 3.93Å; I60-L143 HydrophobicContact CG2-CD2 4.23Å; I60-L143 HydrophobicContact CG2-CG 4.4Å; L61-L143 CarbonylContact O-C 3.44Å; L61-L143 WeakPolarHBondContact O-CA 3.48Å; I72-L143 HydrophobicContact CD1-CD2 4.47Å; I72-L143 HydrophobicContact CG2-CD1 4.14Å; I72-L143 HydrophobicContact CG2-CD2 4.13Å; I72-L143 HydrophobicContact CG2-CG 4.08Å; L74-L143 HydrophobicContact CB-CD1 3.75Å; L74-L143 HydrophobicContact CD1-CD1 4.28Å; L74-L143 HydrophobicContact CD2-CD1 4.07Å; L74-L143 HydrophobicContact CG-CD1 4.25Å; Y98-L143 HydrophobicContact CD1-CD1 3.97Å; Y98-L143 HydrophobicContact CD1-CD2 4.08Å; Y98-L143 HydrophobicContact CE1-CD1 4.46Å; Y98-L143 HydrophobicContact CE1-CD2 3.72Å; L128-L143 HydrophobicContact CD1-CD1 3.79Å; L128-L143 HydrophobicContact CD1-CG 3.86Å |
| 144 | R | 92.4 | Very high | 86.9 | Confident | 71 Ų | 71 | 35 Ų | 35 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117.6 | 169.1 | 174.5 | 169.9 | 50.9 | 133.5 | -4.4 | 107.8 | E25 L61 | E25-R144 HydrophobicContact CB-CG 4.21Å; E25-R144 IonicContact OE1-CZ 2.77Å; E25-R144 IonicContact OE1-NE 3.22Å; E25-R144 IonicContact OE1-NH1 2.8Å; E25-R144 PolarHBondContact OE1-NH1 3.44Å; E25-R144 WeakPolarHBondContact OE2-CD 3.36Å; E25-R144 IonicContact OE2-NH1 3.8Å; L61-R144 HydrophobicContact CB-CB 4.35Å; L61-R144 WeakPolarHBondContact CB-O 3.48Å; L61-R144 PolarHBondContact N-O 2.9Å; L61-R144 PolarHBondContact O-N 2.88Å |
| 145 | L | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.5 | -179.9 | -50.6 | -179.8 | 0 | 0 | 0 | 109.1 | E25 Q26 L28 I57 E59 I60 L74 F126 V147 | E25-L145 CarbonylContact C-O 3.59Å; E25-L145 WeakPolarHBondContact CA-O 3.19Å; Q26-L145 HydrophobicContact CB-CB 4.31Å; Q26-L145 PolarHBondContact N-O 3.37Å; Q26-L145 PolarHBondContact O-N 2.92Å; L28-L145 HydrophobicContact CD1-CD1 3.72Å; L28-L145 HydrophobicContact CD1-CD2 4.34Å; L28-L145 HydrophobicContact CD1-CG 4.1Å; L28-L145 HydrophobicContact CD2-CD1 4.4Å; L28-L145 HydrophobicContact CG-CD1 4.02Å; L28-L145 HydrophobicContact CG-CG 4.16Å; I57-L145 HydrophobicContact CD1-CD1 3.78Å; I57-L145 HydrophobicContact CG1-CD1 4.21Å; I57-L145 HydrophobicContact CG2-CB 4.27Å; I57-L145 HydrophobicContact CG2-CD2 4.27Å; E59-L145 WeakPolarHBondContact O-CA 3.41Å; I60-L145 HydrophobicContact CB-CD2 4.33Å; I60-L145 HydrophobicContact CD1-CD2 4.41Å; I60-L145 HydrophobicContact CG1-CD2 3.89Å; I60-L145 HydrophobicContact CG2-CD2 3.96Å; L74-L145 HydrophobicContact CD2-CD2 4.11Å; F126-L145 HydrophobicContact CE2-CD1 4.2Å; F126-L145 HydrophobicContact CZ-CD1 4.27Å; L145-V147 HydrophobicContact CB-CG2 3.85Å |
| 146 | I | 88.4 | Confident | 87.3 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.5 | 166.3 | -53.2 | -57.1 | 0 | 0 | 0 | 107.2 | V23 E25 R58 E59 L61 | V23-I146 HydrophobicContact CG1-CG2 3.63Å; E25-I146 HydrophobicContact CG-CD1 3.81Å; R58-I146 PolarHBondContact N-O 2.88Å; E59-I146 HydrophobicContact CB-CB 3.93Å; E59-I146 HydrophobicContact CB-CG1 3.82Å; E59-I146 HydrophobicContact CG-CB 4.38Å; E59-I146 HydrophobicContact CG-CG1 4.4Å; E59-I146 PolarHBondContact O-N 3.22Å; L61-I146 HydrophobicContact CD1-CD1 4.12Å; L61-I146 HydrophobicContact CD1-CG1 4.2Å |
| 147 | V | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.7 | -169.6 | -172.7 | 0 | 0 | 0 | 0 | 110 | V23 W24 Q26 F56 I57 L145 | V23-V147 WeakPolarHBondContact CA-O 3.33Å; W24-V147 HydrophobicContact CD2-CB 4.4Å; W24-V147 HydrophobicContact CH2-CG1 4.02Å; W24-V147 HydrophobicContact CZ2-CB 4.04Å; W24-V147 HydrophobicContact CZ2-CG1 3.5Å; W24-V147 PolarHBondContact N-O 3.29Å; W24-V147 PolarHBondContact O-N 3.48Å; Q26-V147 HydrophobicContact CB-CG2 4.03Å; F56-V147 WeakPolarHBondContact O-CA 3.34Å; I57-V147 HydrophobicContact CG1-CG2 4.35Å; L145-V147 HydrophobicContact CB-CG2 3.85Å |
| 148 | T | 82.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.8 | 171.5 | -170 | 0 | 0 | 0 | 0 | 113.3 | R22 T55 F56 R58 Q150 | R22-T148 WeakPolarHBondContact O-CA 3.42Å; R22-T148 WeakPolarHBondContact O-CB 3.36Å; R22-T148 PolarHBondContact O-OG1 2.91Å; T55-T148 CarbonylContact C-O 3.47Å; T55-T148 VanDerWaalsContact CA-O 3.31Å; T55-T148 WeakPolarHBondContact CA-O 3.47Å; T55-T148 WeakPolarHBondContact CB-O 3.43Å; F56-T148 HydrophobicContact CB-CG2 4.2Å; F56-T148 PolarHBondContact N-O 3.44Å; F56-T148 PolarHBondContact O-N 2.84Å; R58-T148 HydrophobicContact CG-CG2 4.16Å; T148-Q150 HydrophobicContact CG2-CB 4.18Å; T148-Q150 PolarHBondContact OG1-N 3.3Å; T148-Q150 VanDerWaalsContact OG1-N 3.14Å |
| 149 | D | 83.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 17.8 Ų | 17.8 | 24% | 0.241 | 10% | 0.095 | C | C | . | . | trans | -90.2 | -5 | 167.3 | 57.2 | 32 | 0 | 0 | 0 | 113 | H21 R22 W24 S151 | H21-D149 WeakPolarHBondContact CA-OD1 3.39Å; H21-D149 WeakPolarHBondContact CB-OD1 3.38Å; H21-D149 IonicContact CG-OD1 3.33Å; H21-D149 IonicContact ND1-OD1 2.8Å; H21-D149 PolarHBondContact ND1-OD1 2.83Å; R22-D149 WeakPolarHBondContact CB-OD2 3.19Å; R22-D149 PolarHBondContact N-OD1 3.27Å; R22-D149 PolarHBondContact N-OD2 3.34Å; R22-D149 PolarHBondContact O-N 2.88Å; W24-D149 HydrophobicContact CH2-CB 4.22Å; W24-D149 HydrophobicContact CZ3-CB 4.16Å; D149-S151 PolarHBondContact O-N 3.49Å | ||
| 150 | Q | 75.3 | Confident | 88.1 | Confident | 22 Ų | 22 | 18.2 Ų | 18.2 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -69.5 | 127.6 | 175.9 | -169.5 | -176 | 8.3 | 0 | 0 | 110.8 | H21 F56 T148 Q152 T353 | H21-Q150 HydrophobicContact CB-CB 4.12Å; F56-Q150 VanDerWaalsContact CD2-O 3.23Å; F56-Q150 WeakPolarHBondContact CD2-O 3.37Å; T148-Q150 HydrophobicContact CG2-CB 4.18Å; T148-Q150 PolarHBondContact OG1-N 3.3Å; T148-Q150 VanDerWaalsContact OG1-N 3.14Å; Q150-Q152 PolarHBondContact O-N 3.41Å; Q150-Q152 PolarHBondContact O-NE2 2.89Å; Q150-T353 PolarHBondContact NE2-OG1 2.88Å; Q150-T353 VanDerWaalsContact NE2-OG1 3.12Å |
| 151 | S | 78.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 15.3 Ų | 15.3 | 32% | 0.322 | 8% | 0.084 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 129.1 | 175.2 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | D149 | D149-S151 PolarHBondContact O-N 3.49Š|
| 152 | Q | 83.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 2% | 0.023 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -96.2 | 127.7 | 178.6 | -60 | -55.1 | -66.2 | 0 | 0 | 110.2 | F56 G112 Q150 R154 | F56-Q152 HydrophobicContact CB-CG 3.55Å; F56-Q152 HydrophobicContact CD1-CB 3.87Å; F56-Q152 HydrophobicContact CD1-CG 3.64Å; F56-Q152 HydrophobicContact CD2-CG 4.12Å; F56-Q152 HydrophobicContact CE1-CB 4.15Å; F56-Q152 HydrophobicContact CE1-CG 4.35Å; F56-Q152 HydrophobicContact CG-CB 4.21Å; F56-Q152 HydrophobicContact CG-CG 3.5Å; G112-Q152 VanDerWaalsContact CA-OE1 3.24Å; Q150-Q152 PolarHBondContact O-N 3.41Å; Q150-Q152 PolarHBondContact O-NE2 2.89Å; Q152-R154 PolarHBondContact O-N 3.31Å; Q152-R154 VanDerWaalsContact O-N 3.16Å |
| 153 | P | 82.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 18.5 Ų | 18.5 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -57 | -24 | 176.2 | -28.6 | 35.7 | 0 | 0 | 0 | 115.3 | G112 P288 N689 F725 | G112-P153 WeakPolarHBondContact O-CD 3.35Å; P153-P288 VanDerWaalsContact O-CD 3.25Å; P153-P288 WeakPolarHBondContact O-CD 3.17Å; P153-N689 WeakPolarHBondContact CB-OD1 3.32Å; P153-N689 VanDerWaalsContact CG-OD1 3.26Å; P153-N689 WeakPolarHBondContact CG-OD1 3.33Å; P153-F725 HydrophobicContact CB-CB 3.72Å; P153-F725 HydrophobicContact CB-CG 4.37Å; P153-F725 HydrophobicContact CG-CB 3.73Å |
| 154 | R | 86.1 | Confident | 88.2 | Confident | 9 Ų | 9 | 21 Ų | 21 | 3% | 0.034 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.4 | 178.3 | -56.8 | -72.5 | -93.2 | 173.8 | 2.7 | 109.6 | G112 V113 G114 Q152 T190 H285 S286 S646 F725 | G112-R154 PolarHBondContact O-N 2.82Å; V113-R154 WeakPolarHBondContact CA-O 3.1Å; V113-R154 HydrophobicContact CG2-CB 3.93Å; G114-R154 PolarHBondContact N-O 2.88Å; Q152-R154 PolarHBondContact O-N 3.31Å; Q152-R154 VanDerWaalsContact O-N 3.16Å; R154-T190 PolarHBondContact NH2-OG1 2.84Å; R154-H285 HydrophobicContact CB-CB 4.21Å; R154-H285 PolarHBondContact NE-ND1 3.28Å; R154-H285 VanDerWaalsContact NE-ND1 3.15Å; R154-S286 CarbonylContact C-O 3.56Å; R154-S286 WeakPolarHBondContact CA-O 3.34Å; R154-S646 PolarHBondContact NE-OG 2.88Å; R154-S646 PolarHBondContact NH1-OG 2.95Å; R154-S646 PolarHBondContact NH2-OG 2.98Å; R154-F725 HydrophobicContact CG-CD2 3.81Å; R154-F725 HydrophobicContact CG-CE2 3.89Å |
| 155 | I | 89.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 22.5 Ų | 22.5 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 141.5 | 171.5 | 54.8 | 169.1 | 0 | 0 | 0 | 110 | F56 G114 P116 H285 S286 P288 | F56-I155 HydrophobicContact CE1-CG2 4.4Å; G114-I155 WeakPolarHBondContact O-CA 3.39Å; P116-I155 HydrophobicContact CB-CG2 4.24Å; P116-I155 HydrophobicContact CG-CB 4.19Å; P116-I155 HydrophobicContact CG-CG2 3.83Å; I155-H285 CarbonylContact O-C 2.98Å; I155-H285 WeakPolarHBondContact O-CA 3.18Å; I155-S286 PolarHBondContact N-O 2.92Å; I155-S286 PolarHBondContact O-N 2.73Å; I155-P288 HydrophobicContact CG2-CB 4.11Å; I155-P288 HydrophobicContact CG2-CG 4.15Å |
| 156 | A | 91.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F109 V113 G114 Y115 M192 Y284 | F109-A156 HydrophobicContact CD1-CB 4.14Å; F109-A156 HydrophobicContact CE1-CB 3.59Å; F109-A156 HydrophobicContact CE2-CB 4.36Å; F109-A156 HydrophobicContact CZ-CB 3.73Å; V113-A156 HydrophobicContact CG1-CB 3.95Å; G114-A156 PolarHBondContact O-N 2.94Å; Y115-A156 HydrophobicContact CD1-CB 3.75Å; Y115-A156 VanDerWaalsContact CD1-O 3.24Å; Y115-A156 WeakPolarHBondContact CD1-O 3.38Å; Y115-A156 HydrophobicContact CE1-CB 3.75Å; Y115-A156 WeakPolarHBondContact CE1-O 3.41Å; Y115-A156 HydrophobicContact CG-CB 4.27Å; A156-M192 HydrophobicContact CB-CE 4.4Å; A156-Y284 WeakPolarHBondContact CA-O 3.33Å |
| 157 | G | 90.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 169.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M283 Y284 | G157-M283 WeakPolarHBondContact O-CA 3.27Å; G157-Y284 VanDerWaalsContact C-CE1 3.49Å; G157-Y284 PolarHBondContact N-O 2.9Å; G157-Y284 PolarHBondContact O-N 3.13Å |
| 158 | V | 91 | Very high | 88.9 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.1 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I96 Y115 F231 Y281 I282 M283 | I96-V158 WeakPolarHBondContact O-CB 3.28Å; I96-V158 WeakPolarHBondContact O-CG2 3.37Å; Y115-V158 VanDerWaalsContact OH-CG2 3.3Å; Y115-V158 WeakPolarHBondContact OH-CG2 3.45Å; V158-F231 HydrophobicContact CG1-CE1 4.24Å; V158-F231 HydrophobicContact CG1-CZ 3.99Å; V158-F231 HydrophobicContact CG2-CE1 4.47Å; V158-F231 HydrophobicContact CG2-CZ 4.08Å; V158-Y281 HydrophobicContact CG1-CD1 4.11Å; V158-I282 CarbonylContact C-O 3.59Å; V158-I282 VanDerWaalsContact CA-O 3.29Å; V158-I282 WeakPolarHBondContact CA-O 3.1Å; V158-M283 HydrophobicContact CG2-CE 4.43Å |
| 159 | F | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.9 | 173.7 | -168.5 | -88.9 | 0 | 0 | 0 | 109 | L161 I183 I282 Y284 G297 C299 | F159-L161 HydrophobicContact CD1-CD1 3.77Å; F159-L161 HydrophobicContact CE1-CD1 3.99Å; F159-L161 HydrophobicContact CE1-CG 4.44Å; F159-I183 HydrophobicContact CD1-CD1 3.94Å; F159-I183 HydrophobicContact CD1-CG1 4.14Å; F159-I183 HydrophobicContact CD2-CD1 4.41Å; F159-I183 HydrophobicContact CD2-CG1 4.36Å; F159-I183 HydrophobicContact CD2-CG2 4.27Å; F159-I183 HydrophobicContact CE1-CD1 4.21Å; F159-I183 HydrophobicContact CE1-CG1 3.9Å; F159-I183 HydrophobicContact CE2-CG1 4.14Å; F159-I183 HydrophobicContact CE2-CG2 4.21Å; F159-I183 HydrophobicContact CG-CD1 4.06Å; F159-I183 HydrophobicContact CG-CG1 4.37Å; F159-I183 HydrophobicContact CZ-CG1 3.91Å; F159-I282 HydrophobicContact CB-CB 4.41Å; F159-I282 PolarHBondContact N-O 2.84Å; F159-I282 PolarHBondContact O-N 2.98Å; F159-Y284 HydrophobicContact CB-CD1 4.16Å; F159-Y284 HydrophobicContact CB-CE1 3.94Å; F159-G297 CarbonylContact C-O 3.59Å; F159-G297 WeakPolarHBondContact CA-O 3.24Å; F159-C299 HydrophobicContact CE1-CB 3.67Å; F159-C299 HydrophobicContact CZ-CB 3.92Å |
| 160 | L | 92.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.8 | -173.5 | 171.9 | 55 | 0 | 0 | 0 | 111.3 | L162 N279 Y281 G297 M298 C299 | L160-L162 HydrophobicContact CD1-CB 4.34Å; L160-L162 HydrophobicContact CD2-CD2 3.77Å; L160-L162 HydrophobicContact CG-CB 4.43Å; L160-L162 HydrophobicContact CG-CD2 4.05Å; L160-N279 HydrophobicContact CD1-CB 4.09Å; L160-Y281 HydrophobicContact CB-CD1 4.27Å; L160-Y281 HydrophobicContact CB-CE1 4.42Å; L160-Y281 HydrophobicContact CD1-CD1 3.74Å; L160-Y281 HydrophobicContact CD1-CD2 4.37Å; L160-Y281 HydrophobicContact CD1-CE1 3.57Å; L160-Y281 HydrophobicContact CD1-CE2 4.23Å; L160-Y281 HydrophobicContact CD1-CG 4.12Å; L160-Y281 HydrophobicContact CD2-CD1 4.46Å; L160-Y281 HydrophobicContact CD2-CE1 3.81Å; L160-Y281 HydrophobicContact CG-CD1 4.37Å; L160-Y281 HydrophobicContact CG-CE1 4.13Å; L160-G297 PolarHBondContact N-O 2.91Å; L160-M298 HydrophobicContact CB-CG 4.41Å; L160-M298 HydrophobicContact CD2-CG 4.43Å; L160-M298 HydrophobicContact CD2-SD 4.37Å; L160-M298 HydrophobicContact CG-CG 4.34Å; L160-M298 CarbonylContact O-C 3.6Å; L160-M298 VanDerWaalsContact O-CA 3.31Å; L160-M298 WeakPolarHBondContact O-CA 3.2Å; L160-C299 PolarHBondContact O-N 2.99Å |
| 161 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.4 | 163.3 | -72.1 | 86.2 | 0 | 0 | 0 | 108.8 | F159 V179 I252 A254 N279 M280 I282 C299 | F159-L161 HydrophobicContact CD1-CD1 3.77Å; F159-L161 HydrophobicContact CE1-CD1 3.99Å; F159-L161 HydrophobicContact CE1-CG 4.44Å; L161-V179 HydrophobicContact CB-CB 4.31Å; L161-V179 HydrophobicContact CB-CG1 3.99Å; L161-V179 HydrophobicContact CB-CG2 4.45Å; L161-V179 HydrophobicContact CD2-CB 4.25Å; L161-V179 HydrophobicContact CD2-CG1 4.06Å; L161-V179 HydrophobicContact CG-CG1 4.3Å; L161-I252 HydrophobicContact CD1-CG2 4Å; L161-I252 HydrophobicContact CD2-CG2 3.89Å; L161-A254 HydrophobicContact CB-CB 4.24Å; L161-A254 HydrophobicContact CD2-CB 4.02Å; L161-N279 WeakPolarHBondContact O-CA 3.12Å; L161-M280 HydrophobicContact CB-CB 4.38Å; L161-M280 HydrophobicContact CD1-CE 4.07Å; L161-M280 HydrophobicContact CD2-CE 4.26Å; L161-M280 PolarHBondContact N-O 2.85Å; L161-M280 PolarHBondContact O-N 2.83Å; L161-I282 HydrophobicContact CD1-CD1 3.42Å; L161-I282 VanDerWaalsContact CD1-CD1 3.42Å; L161-I282 HydrophobicContact CD1-CG1 4.02Å; L161-C299 CarbonylContact C-O 3.46Å; L161-C299 WeakPolarHBondContact CA-O 3.37Å; L161-C299 HydrophobicContact CG-CB 4.15Å |
| 162 | L | 94 | Very high | 92 | Very high | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160.3 | 175.5 | 71.4 | 82.3 | 0 | 0 | 0 | 113.5 | L160 C278 N279 M298 C299 S300 | L160-L162 HydrophobicContact CD1-CB 4.34Å; L160-L162 HydrophobicContact CD2-CD2 3.77Å; L160-L162 HydrophobicContact CG-CB 4.43Å; L160-L162 HydrophobicContact CG-CD2 4.05Å; L162-C278 WeakPolarHBondContact CA-O 3.36Å; L162-C278 WeakPolarHBondContact CB-O 3.31Å; L162-N279 WeakPolarHBondContact CB-OD1 3.48Å; L162-M298 HydrophobicContact CD2-CG 4.16Å; L162-M298 HydrophobicContact CD2-SD 3.57Å; L162-M298 VanDerWaalsContact CD2-SD 3.57Å; L162-M298 HydrophobicContact CG-SD 4.4Å; L162-C299 PolarHBondContact N-O 2.83Å; L162-S300 CarbonylContact O-C 3.44Å; L162-S300 WeakPolarHBondContact O-CA 3.4Å |
| 163 | R | 94.2 | Very high | 92.6 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.3 | 158 | -67 | -51.7 | -68.8 | -87.9 | -0.4 | 110 | D165 A166 I177 D178 V179 M269 C278 | R163-D165 IonicContact CZ-OD1 2.71Å; R163-D165 VanDerWaalsContact CZ-OD1 3.28Å; R163-D165 IonicContact CZ-OD2 3.63Å; R163-D165 IonicContact NE-OD1 2.85Å; R163-D165 PolarHBondContact NE-OD1 2.96Å; R163-D165 IonicContact NH2-OD1 2.85Å; R163-D165 PolarHBondContact NH2-OD1 2.78Å; R163-D165 IonicContact NH2-OD2 3.98Å; R163-D165 PolarHBondContact NH2-OD2 2.84Å; R163-A166 HydrophobicContact CB-CB 4.32Å; R163-I177 HydrophobicContact CB-CG2 3.72Å; R163-I177 HydrophobicContact CG-CG2 3.53Å; R163-D178 WeakPolarHBondContact CD-O 3.35Å; R163-D178 VanDerWaalsContact CG-O 3.23Å; R163-D178 WeakPolarHBondContact CG-O 3.28Å; R163-D178 PolarHBondContact NH1-O 3.17Å; R163-V179 HydrophobicContact CG-CG2 3.64Å; R163-M269 VanDerWaalsContact O-CG 3.31Å; R163-M269 WeakPolarHBondContact O-CG 3.42Å; R163-C278 HydrophobicContact CB-CB 4.34Å; R163-C278 PolarHBondContact N-O 3.08Å |
| 164 | G | 89.6 | Confident | 93.2 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 55% | 0.546 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -108.9 | -6.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 165 | D | 90.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -112.7 | 1.1 | -170.7 | 64 | -37.9 | 0 | 0 | 0 | 113.7 | R163 | R163-D165 IonicContact CZ-OD1 2.71Å; R163-D165 VanDerWaalsContact CZ-OD1 3.28Å; R163-D165 IonicContact CZ-OD2 3.63Å; R163-D165 IonicContact NE-OD1 2.85Å; R163-D165 PolarHBondContact NE-OD1 2.96Å; R163-D165 IonicContact NH2-OD1 2.85Å; R163-D165 PolarHBondContact NH2-OD1 2.78Å; R163-D165 IonicContact NH2-OD2 3.98Å; R163-D165 PolarHBondContact NH2-OD2 2.84Å |
| 166 | A | 93.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | trans | -83.2 | 152.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R163 I177 M269 | R163-A166 HydrophobicContact CB-CB 4.32Å; A166-I177 HydrophobicContact CB-CB 4.48Å; A166-I177 HydrophobicContact CB-CD1 3.57Å; A166-I177 HydrophobicContact CB-CG1 3.94Å; A166-I177 HydrophobicContact CB-CG2 3.7Å; A166-M269 HydrophobicContact CB-CE 4.41Å; A166-M269 HydrophobicContact CB-CG 3.95Å; A166-M269 HydrophobicContact CB-SD 4.49Å; A166-M269 WeakPolarHBondContact O-CG 3.46Å; A166-M269 PolarHBondContact O-N 2.84Å | ||
| 167 | I | 95.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 40.2 Ų | 40.2 | 54% | 0.544 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129 | 176 | -58.4 | 176.5 | 0 | 0 | 0 | 108 | F175 D266 | I167-F175 WeakPolarHBondContact O-CE1 3.47Å; I167-D266 HydrophobicContact CG2-CB 3.74Å |
| 168 | I | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118 | 177.3 | -58.1 | 165.8 | 0 | 0 | 0 | 108.4 | F175 I177 M201 Y258 D266 V267 M269 E276 | I168-F175 HydrophobicContact CB-CD1 4.34Å; I168-F175 HydrophobicContact CG1-CD1 4.14Å; I168-F175 HydrophobicContact CG1-CE1 4.41Å; I168-F175 HydrophobicContact CG2-CB 4.46Å; I168-F175 HydrophobicContact CG2-CD1 4.08Å; I168-F175 HydrophobicContact CG2-CG 4.46Å; I168-I177 HydrophobicContact CD1-CD1 4.07Å; I168-I177 HydrophobicContact CG1-CD1 3.52Å; I168-M201 HydrophobicContact CB-CE 4.33Å; I168-M201 HydrophobicContact CD1-CE 3.76Å; I168-M201 HydrophobicContact CG2-CE 4.13Å; I168-Y258 HydrophobicContact CD1-CD1 3.54Å; I168-Y258 HydrophobicContact CD1-CD2 3.78Å; I168-Y258 HydrophobicContact CD1-CE1 3.94Å; I168-Y258 HydrophobicContact CD1-CE2 4.17Å; I168-Y258 HydrophobicContact CD1-CG 3.46Å; I168-Y258 VanDerWaalsContact CD1-CG 3.46Å; I168-Y258 HydrophobicContact CG1-CD2 4.28Å; I168-Y258 HydrophobicContact CG1-CG 4.3Å; I168-D266 WeakPolarHBondContact O-CA 3.44Å; I168-V267 PolarHBondContact N-O 2.86Å; I168-V267 PolarHBondContact O-N 2.66Å; I168-M269 HydrophobicContact CD1-CE 3.68Å; I168-M269 HydrophobicContact CG1-CE 3.96Å; I168-E276 HydrophobicContact CD1-CB 3.81Å; I168-E276 HydrophobicContact CD1-CG 3.78Å |
| 169 | P | 97.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 26% | 0.26 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -71.9 | 150.3 | 176.5 | 30.1 | -35 | 0 | 0 | 0 | 111.6 | V172 F175 S260 | P169-V172 HydrophobicContact CG-CG2 3.98Å; P169-F175 HydrophobicContact CG-CD2 3.84Å; P169-F175 HydrophobicContact CG-CE2 3.76Å; P169-F175 HydrophobicContact CG-CG 4.41Å; P169-F175 HydrophobicContact CG-CZ 4.28Å; P169-S260 WeakPolarHBondContact O-CB 3.34Å; P169-S260 PolarHBondContact O-OG 3.37Å |
| 170 | P | 96.5 | Very high | 95 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 29% | 0.292 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 154.8 | 177.5 | 28.8 | -35.3 | 0 | 0 | 0 | 112.7 | V172 K263 D266 | P170-V172 PolarHBondContact O-N 2.8Å; P170-K263 HydrophobicContact CB-CB 4.33Å; P170-K263 VanDerWaalsContact CB-O 3.23Å; P170-K263 WeakPolarHBondContact CB-O 3.48Å; P170-D266 WeakPolarHBondContact CD-OD1 3.47Å |
| 171 | G | 95.6 | Very high | 95 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 45% | 0.454 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 18.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S260 M261 | G171-S260 PolarHBondContact N-O 3.36Å; G171-M261 VanDerWaalsContact O-SD 3.33Å |
| 172 | V | 96.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 30% | 0.303 | 24% | 0.242 | S | C | . | . | trans | -112.3 | 128 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | P169 P170 F175 S260 | P169-V172 HydrophobicContact CG-CG2 3.98Å; P170-V172 PolarHBondContact O-N 2.8Å; V172-F175 HydrophobicContact CB-CB 4.4Å; V172-F175 HydrophobicContact CG1-CB 3.89Å; V172-F175 HydrophobicContact CG1-CD2 4.44Å; V172-S260 PolarHBondContact N-OG 3.1Å; V172-S260 PolarHBondContact O-N 2.84Å; V172-S260 PolarHBondContact O-OG 3.01Å; V172-S260 VanDerWaalsContact O-OG 3.06Å | ||
| 173 | K | 94.9 | Very high | 94.2 | Very high | 128 Ų | 128 | 40.9 Ų | 40.9 | 56% | 0.557 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -75.2 | -34.2 | -174.7 | -177 | -174.2 | 162 | -121.8 | 0 | 114.9 | Y258 D259 M261 D316 | K173-Y258 CarbonylContact C-O 3.19Å; K173-D259 WeakPolarHBondContact O-CA 3.3Å; K173-D259 WeakPolarHBondContact O-CB 3.34Å; K173-M261 HydrophobicContact CB-CG 4.01Å; K173-M261 HydrophobicContact CB-SD 4.02Å; K173-D316 IonicContact NZ-OD1 3.56Å; K173-D316 PolarHBondContact NZ-OD1 2.97Å |
| 174 | S | 96.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -146.6 | 73 | -172.6 | -62 | 0 | 0 | 0 | 0 | 110.2 | Y258 D316 | S174-Y258 CarbonylContact C-O 3.51Å; S174-Y258 VanDerWaalsContact CA-O 3.31Å; S174-Y258 WeakPolarHBondContact CA-O 3.49Å; S174-Y258 PolarHBondContact N-O 2.86Å; S174-D316 VanDerWaalsContact OG-CG 3.32Å; S174-D316 PolarHBondContact OG-OD1 3.24Å |
| 175 | F | 97.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.1 | 179.5 | -173.9 | -101.7 | 0 | 0 | 0 | 111.1 | I167 I168 P169 V172 I177 V257 Y258 | I167-F175 WeakPolarHBondContact O-CE1 3.47Å; I168-F175 HydrophobicContact CB-CD1 4.34Å; I168-F175 HydrophobicContact CG1-CD1 4.14Å; I168-F175 HydrophobicContact CG1-CE1 4.41Å; I168-F175 HydrophobicContact CG2-CB 4.46Å; I168-F175 HydrophobicContact CG2-CD1 4.08Å; I168-F175 HydrophobicContact CG2-CG 4.46Å; P169-F175 HydrophobicContact CG-CD2 3.84Å; P169-F175 HydrophobicContact CG-CE2 3.76Å; P169-F175 HydrophobicContact CG-CG 4.41Å; P169-F175 HydrophobicContact CG-CZ 4.28Å; V172-F175 HydrophobicContact CB-CB 4.4Å; V172-F175 HydrophobicContact CG1-CB 3.89Å; V172-F175 HydrophobicContact CG1-CD2 4.44Å; F175-I177 HydrophobicContact CD1-CD1 4.32Å; F175-I177 HydrophobicContact CD1-CG1 4.05Å; F175-I177 HydrophobicContact CE1-CD1 4.12Å; F175-I177 HydrophobicContact CE1-CG1 3.76Å; F175-V257 WeakPolarHBondContact O-CA 3.41Å; F175-Y258 PolarHBondContact N-O 2.95Å; F175-Y258 PolarHBondContact O-N 2.92Å |
| 176 | P | 96.5 | Very high | 92 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 29% | 0.292 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 143.1 | 177.8 | 34.4 | -33.9 | 0 | 0 | 0 | 112.7 | R255 C256 P315 | P176-R255 HydrophobicContact CB-CG 4.36Å; P176-C256 CarbonylContact C-O 3.51Å; P176-C256 WeakPolarHBondContact CA-O 3.27Å; P176-P315 HydrophobicContact CB-CB 4.32Å; P176-P315 HydrophobicContact CB-CG 3.86Å; P176-P315 HydrophobicContact CG-CB 4.43Å; P176-P315 HydrophobicContact CG-CG 3.71Å |
| 177 | I | 96.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.3 | 165.8 | -69.4 | 169.6 | 0 | 0 | 0 | 107.1 | R163 A166 I168 F175 C256 Y258 M269 C278 | R163-I177 HydrophobicContact CB-CG2 3.72Å; R163-I177 HydrophobicContact CG-CG2 3.53Å; A166-I177 HydrophobicContact CB-CB 4.48Å; A166-I177 HydrophobicContact CB-CD1 3.57Å; A166-I177 HydrophobicContact CB-CG1 3.94Å; A166-I177 HydrophobicContact CB-CG2 3.7Å; I168-I177 HydrophobicContact CD1-CD1 4.07Å; I168-I177 HydrophobicContact CG1-CD1 3.52Å; F175-I177 HydrophobicContact CD1-CD1 4.32Å; F175-I177 HydrophobicContact CD1-CG1 4.05Å; F175-I177 HydrophobicContact CE1-CD1 4.12Å; F175-I177 HydrophobicContact CE1-CG1 3.76Å; I177-C256 PolarHBondContact N-O 3.05Å; I177-C256 PolarHBondContact O-N 2.88Å; I177-Y258 HydrophobicContact CB-CE2 4.09Å; I177-Y258 HydrophobicContact CD1-CD2 4.02Å; I177-Y258 HydrophobicContact CD1-CE2 3.7Å; I177-Y258 HydrophobicContact CG1-CD2 4.43Å; I177-Y258 HydrophobicContact CG1-CE2 4.17Å; I177-M269 HydrophobicContact CD1-CE 3.64Å; I177-M269 HydrophobicContact CD1-SD 4.47Å; I177-C278 HydrophobicContact CG2-CB 4.25Å |
| 178 | D | 96.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.9 | -168.3 | -72.4 | -17.7 | 0 | 0 | 0 | 111.9 | R163 A254 R255 W308 | R163-D178 WeakPolarHBondContact CD-O 3.35Å; R163-D178 VanDerWaalsContact CG-O 3.23Å; R163-D178 WeakPolarHBondContact CG-O 3.28Å; R163-D178 PolarHBondContact NH1-O 3.17Å; D178-A254 CarbonylContact C-O 3.58Å; D178-A254 WeakPolarHBondContact CA-O 3.4Å; D178-R255 VanDerWaalsContact OD1-CB 3.25Å; D178-R255 WeakPolarHBondContact OD1-CB 3.35Å; D178-R255 WeakPolarHBondContact OD1-CG 3.36Å; D178-R255 IonicContact OD1-CZ 3.93Å; D178-R255 IonicContact OD1-NE 3.88Å; D178-R255 PolarHBondContact OD1-NE 2.86Å; D178-R255 IonicContact OD1-NH2 3.68Å; D178-R255 IonicContact OD2-CZ 2.68Å; D178-R255 IonicContact OD2-NE 3.71Å; D178-R255 PolarHBondContact OD2-NE 2.91Å; D178-R255 IonicContact OD2-NH2 2.75Å; D178-R255 PolarHBondContact OD2-NH2 3.38Å; D178-W308 HydrophobicContact CB-CD2 4.42Å; D178-W308 HydrophobicContact CB-CH2 4.37Å; D178-W308 HydrophobicContact CB-CZ2 3.51Å |
| 179 | V | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142 | 172.5 | -165.9 | 0 | 0 | 0 | 0 | 108.1 | L161 R163 M253 A254 C299 S301 | L161-V179 HydrophobicContact CB-CB 4.31Å; L161-V179 HydrophobicContact CB-CG1 3.99Å; L161-V179 HydrophobicContact CB-CG2 4.45Å; L161-V179 HydrophobicContact CD2-CB 4.25Å; L161-V179 HydrophobicContact CD2-CG1 4.06Å; L161-V179 HydrophobicContact CG-CG1 4.3Å; R163-V179 HydrophobicContact CG-CG2 3.64Å; V179-M253 CarbonylContact O-C 3.52Å; V179-M253 VanDerWaalsContact O-CA 3.27Å; V179-M253 WeakPolarHBondContact O-CA 3.38Å; V179-A254 HydrophobicContact CB-CB 4.13Å; V179-A254 HydrophobicContact CG2-CB 4.24Å; V179-A254 PolarHBondContact N-O 3.15Å; V179-A254 PolarHBondContact O-N 3Å; V179-C299 WeakPolarHBondContact CG1-SG 3.4Å; V179-S301 WeakPolarHBondContact CG1-O 3.18Å |
| 180 | S | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 136.6 | 170.7 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | I252 S301 D302 I303 Y304 | S180-I252 WeakPolarHBondContact CA-O 3.3Å; S180-S301 PolarHBondContact N-O 3.21Å; S180-S301 VanDerWaalsContact N-O 3.11Å; S180-S301 VanDerWaalsContact O-O 3.13Å; S180-D302 VanDerWaalsContact CB-OD1 3.26Å; S180-D302 WeakPolarHBondContact CB-OD1 3.22Å; S180-D302 PolarHBondContact N-OD1 3.25Å; S180-D302 PolarHBondContact OG-OD1 2.96Å; S180-I303 WeakPolarHBondContact O-CB 3.37Å; S180-I303 PolarHBondContact O-N 2.88Å; S180-Y304 WeakPolarHBondContact OG-CA 3.41Å; S180-Y304 WeakPolarHBondContact OG-CB 3.39Å; S180-Y304 PolarHBondContact OG-N 3.15Å |
| 181 | C | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 166.7 | -173.5 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | I251 I252 C299 I303 | C181-I251 CarbonylContact O-C 3.57Å; C181-I251 WeakPolarHBondContact O-CA 3.47Å; C181-I252 PolarHBondContact N-O 3.06Å; C181-I252 PolarHBondContact O-N 3.35Å; C181-C299 HydrophobicContact CB-CB 3.84Å; C181-C299 WeakPolarHBondContact CB-SG 3.43Å; C181-C299 WeakPolarHBondContact SG-CB 3.49Å; C181-C299 CovalentContact SG-SG 2.01Å; C181-C299 PolarHBondContact SG-SG 3.34Å; C181-I303 HydrophobicContact CB-CD1 4.37Å |
| 182 | R | 89.2 | Confident | 89.2 | Confident | 83 Ų | 83 | 32 Ų | 32 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 157.3 | 165.1 | -69 | -178.7 | 166.6 | 157.6 | -13.2 | 109.8 | D249 D250 I251 Y304 | R182-D249 IonicContact CZ-OD1 3.63Å; R182-D249 PolarHBondContact NE-O 3.19Å; R182-D249 VanDerWaalsContact NE-O 3.16Å; R182-D249 PolarHBondContact NH2-O 2.88Å; R182-D249 IonicContact NH2-OD1 3.5Å; R182-D249 PolarHBondContact NH2-OD1 2.82Å; R182-D250 WeakPolarHBondContact CG-O 3.45Å; R182-I251 HydrophobicContact CG-CG1 4.04Å; R182-Y304 WeakPolarHBondContact CD-OH 3.1Å; R182-Y304 HydrophobicContact CG-CE2 3.95Å |
| 183 | I | 83 | Confident | 88.9 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | -101.7 | 110.3 | 170.6 | -61.5 | -179.4 | 0 | 0 | 0 | 107.3 | F159 S185 I189 I252 | F159-I183 HydrophobicContact CD1-CD1 3.94Å; F159-I183 HydrophobicContact CD1-CG1 4.14Å; F159-I183 HydrophobicContact CD2-CD1 4.41Å; F159-I183 HydrophobicContact CD2-CG1 4.36Å; F159-I183 HydrophobicContact CD2-CG2 4.27Å; F159-I183 HydrophobicContact CE1-CD1 4.21Å; F159-I183 HydrophobicContact CE1-CG1 3.9Å; F159-I183 HydrophobicContact CE2-CG1 4.14Å; F159-I183 HydrophobicContact CE2-CG2 4.21Å; F159-I183 HydrophobicContact CG-CD1 4.06Å; F159-I183 HydrophobicContact CG-CG1 4.37Å; F159-I183 HydrophobicContact CZ-CG1 3.91Å; I183-S185 PolarHBondContact O-N 3.28Å; I183-S185 VanDerWaalsContact O-N 3.11Å; I183-I189 HydrophobicContact CD1-CD1 3.75Å; I183-I189 HydrophobicContact CG2-CD1 4.07Å; I183-I252 HydrophobicContact CD1-CG1 3.84Å; I183-I252 HydrophobicContact CG1-CG1 4.13Å | ||
| 184 | S | 79.1 | Confident | 88.8 | Confident | 67 Ų | 67 | 23.9 Ų | 23.9 | 47% | 0.469 | 13% | 0.134 | S | C | . | . | trans | -79 | 92.8 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 111 | G293 | S184-G293 PolarHBondContact O-N 2.94Š| ||
| 185 | S | 76.9 | Confident | 88.6 | Confident | 13 Ų | 13 | 23.7 Ų | 23.7 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -109 | 167.7 | 173.2 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | I183 I187 D248 S291 | I183-S185 PolarHBondContact O-N 3.28Å; I183-S185 VanDerWaalsContact O-N 3.11Å; S185-I187 WeakPolarHBondContact CB-O 3.37Å; S185-D248 VanDerWaalsContact O-OD1 3.14Å; S185-D248 PolarHBondContact OG-OD1 3.01Å; S185-S291 CarbonylContact C-O 3.54Å |
| 186 | T | 73 | Confident | 88.4 | Confident | 90 Ų | 90 | 21.2 Ų | 21.2 | 55% | 0.552 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -102.3 | -14.9 | 164.8 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | N290 S291 | T186-N290 PolarHBondContact N-OD1 2.93Å; T186-N290 VanDerWaalsContact N-OD1 3.15Å; T186-N290 PolarHBondContact OG1-OD1 2.79Å; T186-S291 PolarHBondContact N-O 3.46Å; T186-S291 VanDerWaalsContact N-O 3.08Å; T186-S291 PolarHBondContact OG1-N 3.4Å |
| 187 | I | 77 | Confident | 88.2 | Confident | 43 Ų | 43 | 20.9 Ų | 20.9 | 22% | 0.221 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -138.5 | 134.5 | 177.5 | -57.1 | 176.6 | 0 | 0 | 0 | 107.2 | S185 I189 L289 N290 | S185-I187 WeakPolarHBondContact CB-O 3.37Å; I187-I189 PolarHBondContact O-N 3.02Å; I187-L289 HydrophobicContact CD1-CB 3.96Å; I187-N290 HydrophobicContact CB-CB 4.14Å; I187-N290 HydrophobicContact CD1-CB 4.47Å; I187-N290 PolarHBondContact N-OD1 3.15Å; I187-N290 VanDerWaalsContact O-CG 3.29Å; I187-N290 PolarHBondContact O-ND2 3.04Å; I187-N290 PolarHBondContact O-OD1 2.86Å |
| 188 | P | 83.1 | Confident | 88.1 | Confident | 30 Ų | 30 | 20.8 Ų | 20.8 | 20% | 0.195 | 12% | 0.116 | C | C | . | . | trans | -51.4 | 140.5 | 178.7 | -29.4 | 35.7 | 0 | 0 | 0 | 113.9 | E245 V246 | P188-E245 HydrophobicContact CB-CG 3.58Å; P188-V246 VanDerWaalsContact CA-O 3.28Å; P188-V246 WeakPolarHBondContact CA-O 3.31Å; P188-V246 WeakPolarHBondContact CB-O 3.46Å | ||
| 189 | I | 87.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.3 | 175.4 | 68.8 | 166.9 | 0 | 0 | 0 | 110.2 | I183 I187 E245 V246 Y284 N290 F292 | I183-I189 HydrophobicContact CD1-CD1 3.75Å; I183-I189 HydrophobicContact CG2-CD1 4.07Å; I187-I189 PolarHBondContact O-N 3.02Å; I189-E245 CarbonylContact O-C 3.6Å; I189-E245 VanDerWaalsContact O-CA 3.3Å; I189-E245 WeakPolarHBondContact O-CA 3.33Å; I189-V246 HydrophobicContact CG1-CB 3.88Å; I189-V246 HydrophobicContact CG1-CG2 4.29Å; I189-V246 PolarHBondContact N-O 2.74Å; I189-V246 PolarHBondContact O-N 3.34Å; I189-Y284 HydrophobicContact CB-CD2 3.92Å; I189-Y284 HydrophobicContact CB-CG 4.25Å; I189-Y284 HydrophobicContact CD1-CD1 3.99Å; I189-Y284 HydrophobicContact CD1-CD2 4.18Å; I189-Y284 HydrophobicContact CD1-CG 3.76Å; I189-Y284 HydrophobicContact CG2-CD2 4Å; I189-Y284 HydrophobicContact CG2-CE2 4.21Å; I189-N290 WeakPolarHBondContact CG2-ND2 3.36Å; I189-F292 HydrophobicContact CG2-CE1 3.87Å; I189-F292 HydrophobicContact CG2-CZ 3.96Å |
| 190 | T | 88.2 | Confident | 87.7 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 111.2 | 171.2 | -41.2 | 0 | 0 | 0 | 0 | 109.1 | R154 V244 Y284 H285 | R154-T190 PolarHBondContact NH2-OG1 2.84Å; T190-V244 CarbonylContact C-O 3.58Å; T190-V244 WeakPolarHBondContact CA-O 3.5Å; T190-Y284 CarbonylContact O-C 3.55Å; T190-Y284 WeakPolarHBondContact O-CA 3.45Å; T190-Y284 WeakPolarHBondContact O-CB 3.47Å; T190-H285 WeakPolarHBondContact CB-CE1 3.36Å; T190-H285 PolarHBondContact N-O 2.77Å; T190-H285 PolarHBondContact O-N 3.27Å; T190-H285 PolarHBondContact OG1-CE1 3.24Å; T190-H285 VanDerWaalsContact OG1-CE1 3.24Å |
| 191 | I | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.3 | 170.2 | -60.9 | 179.1 | 0 | 0 | 0 | 108.7 | L220 L234 G243 V244 V246 I252 I282 | I191-L220 HydrophobicContact CD1-CD1 3.95Å; I191-L220 HydrophobicContact CD1-CD2 4.4Å; I191-L234 HydrophobicContact CG2-CD1 4.04Å; I191-L234 HydrophobicContact CG2-CD2 3.91Å; I191-L234 HydrophobicContact CG2-CG 4.47Å; I191-G243 CarbonylContact O-C 3.53Å; I191-G243 WeakPolarHBondContact O-CA 3.34Å; I191-V244 PolarHBondContact N-O 3.2Å; I191-V244 PolarHBondContact O-N 2.84Å; I191-V246 HydrophobicContact CD1-CG2 3.53Å; I191-V246 HydrophobicContact CG1-CG2 3.77Å; I191-I252 HydrophobicContact CD1-CD1 4.21Å; I191-I282 HydrophobicContact CB-CG2 4.13Å; I191-I282 HydrophobicContact CD1-CD1 4.12Å; I191-I282 HydrophobicContact CD1-CG2 3.64Å; I191-I282 HydrophobicContact CG1-CG2 3.52Å; I191-I282 HydrophobicContact CG2-CG2 3.67Å |
| 192 | M | 88.4 | Confident | 87.9 | Confident | 18 Ų | 18 | 24.1 Ų | 24.1 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | -22.3 | -179.2 | 60.8 | 177.6 | 169.7 | 0 | 0 | 114.9 | F109 P110 V113 A156 P233 L234 M283 H285 | F109-M192 HydrophobicContact CD1-CE 3.55Å; F109-M192 HydrophobicContact CD1-SD 4.46Å; F109-M192 HydrophobicContact CE1-CE 3.56Å; P110-M192 HydrophobicContact CG-SD 3.73Å; V113-M192 HydrophobicContact CG1-CE 4.13Å; A156-M192 HydrophobicContact CB-CE 4.4Å; M192-P233 WeakPolarHBondContact O-CA 3.45Å; M192-L234 PolarHBondContact O-N 2.79Å; M192-M283 HydrophobicContact CE-CG 3.64Å; M192-M283 HydrophobicContact CE-SD 3.98Å; M192-M283 HydrophobicContact CG-CG 4.48Å; M192-M283 PolarHBondContact N-O 2.84Å; M192-H285 HydrophobicContact CE-CB 4.36Å |
| 193 | A | 90.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 5% | 0.05 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F231 Y232 M283 | A193-F231 HydrophobicContact CB-CB 4.13Å; A193-Y232 CarbonylContact C-O 3.5Å; A193-Y232 WeakPolarHBondContact CA-O 3.47Å; A193-Y232 VanDerWaalsContact CB-O 3.27Å; A193-Y232 WeakPolarHBondContact CB-O 3.49Å; A193-M283 HydrophobicContact CB-CB 4.16Å; A193-M283 HydrophobicContact CB-SD 4.46Å; A193-M283 PolarHBondContact N-O 3.33Å; A193-M283 PolarHBondContact O-N 2.74Å |
| 194 | I | 92.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.7 | 176.3 | -61.2 | 171.2 | 0 | 0 | 0 | 110.1 | L220 V223 Y232 L234 L237 M280 Y281 | I194-L220 HydrophobicContact CD1-CB 3.72Å; I194-V223 HydrophobicContact CG2-CG2 3.99Å; I194-Y232 PolarHBondContact N-O 2.82Å; I194-Y232 PolarHBondContact O-N 3.13Å; I194-L234 HydrophobicContact CD1-CD2 3.96Å; I194-L234 HydrophobicContact CG1-CD2 3.82Å; I194-L237 HydrophobicContact CB-CD1 3.69Å; I194-L237 HydrophobicContact CG2-CD1 4.48Å; I194-M280 HydrophobicContact CG2-CG 3.57Å; I194-M280 HydrophobicContact CG2-SD 4.18Å; I194-Y281 CarbonylContact C-O 3.52Å; I194-Y281 WeakPolarHBondContact CA-O 3.25Å |
| 195 | R | 92 | Very high | 89.7 | Confident | 12 Ų | 12 | 19.6 Ų | 19.6 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.3 | 162.5 | 173.2 | -179.9 | 171.6 | -111.6 | -7.5 | 109 | H197 A230 F231 Y281 | R195-H197 PolarHBondContact NH2-ND1 3.07Å; R195-A230 VanDerWaalsContact CB-O 3.24Å; R195-A230 WeakPolarHBondContact CB-O 3.23Å; R195-A230 WeakPolarHBondContact CG-O 3.19Å; R195-F231 HydrophobicContact CB-CD1 3.7Å; R195-F231 HydrophobicContact CB-CD2 4.23Å; R195-F231 HydrophobicContact CB-CE1 3.83Å; R195-F231 HydrophobicContact CB-CE2 4.34Å; R195-F231 HydrophobicContact CB-CG 3.93Å; R195-F231 HydrophobicContact CB-CZ 4.16Å; R195-Y281 HydrophobicContact CB-CD2 4.33Å; R195-Y281 HydrophobicContact CG-CD2 4.18Å; R195-Y281 PolarHBondContact N-O 3.34Å; R195-Y281 WeakPolarHBondContact O-CD2 3.44Å; R195-Y281 PolarHBondContact O-N 2.77Å |
| 196 | G | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | N279 | G196-N279 CarbonylContact C-O 3.59Å; G196-N279 WeakPolarHBondContact CA-O 3.4Å |
| 197 | H | 92.7 | Very high | 91.7 | Very high | 38 Ų | 38 | 14.7 Ų | 14.7 | 18% | 0.176 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.9 | 175.2 | -176.8 | 71 | 0 | 0 | 0 | 111.8 | R195 H199 I205 Q229 M277 N279 Y281 | R195-H197 PolarHBondContact NH2-ND1 3.07Å; H197-H199 AromaticContact NE2-CD2 3.96Å; H197-H199 AromaticContact NE2-NE2 3.96Å; H197-I205 VanDerWaalsContact N-CD1 3.35Å; H197-I205 WeakPolarHBondContact O-CD1 3.3Å; H197-Q229 PolarHBondContact ND1-OE1 2.84Å; H197-M277 VanDerWaalsContact CD2-SD 3.51Å; H197-N279 HydrophobicContact CB-CB 4.22Å; H197-N279 PolarHBondContact N-O 3.02Å; H197-N279 PolarHBondContact O-N 3.48Å; H197-Y281 HydrophobicContact CB-CE2 4.26Å |
| 198 | A | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 5% | 0.05 | 7% | 0.072 | C | C | . | . | trans | -152.5 | 165.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | I205 P225 Y258 M277 | A198-I205 HydrophobicContact CB-CD1 4.16Å; A198-P225 HydrophobicContact CB-CB 3.83Å; A198-P225 HydrophobicContact CB-CG 3.92Å; A198-Y258 HydrophobicContact CB-CE1 4.09Å; A198-M277 VanDerWaalsContact CA-O 3.25Å; A198-M277 WeakPolarHBondContact CA-O 3.1Å; A198-M277 WeakPolarHBondContact CB-O 3.18Å | ||
| 199 | H | 92.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 12.2 Ų | 12.2 | 10% | 0.097 | 6% | 0.064 | C | C | . | . | trans | -88.5 | -159 | 175.5 | -56 | 160.3 | 0 | 0 | 0 | 110.7 | H197 M201 G202 Q226 T272 D275 E276 | H197-H199 AromaticContact NE2-CD2 3.96Å; H197-H199 AromaticContact NE2-NE2 3.96Å; H199-M201 VanDerWaalsContact C-N 3.25Å; H199-M201 PolarHBondContact O-N 2.99Å; H199-M201 VanDerWaalsContact O-N 3.08Å; H199-G202 PolarHBondContact O-N 3.22Å; H199-Q226 PolarHBondContact O-NE2 2.92Å; H199-T272 PolarHBondContact CE1-O 2.85Å; H199-T272 PolarHBondContact ND1-O 3.1Å; H199-T272 VanDerWaalsContact ND1-O 3.1Å; H199-D275 PolarHBondContact ND1-O 2.97Å; H199-E276 VanDerWaalsContact CA-OE2 3.31Å; H199-E276 WeakPolarHBondContact CA-OE2 3.36Å; H199-E276 WeakPolarHBondContact CB-OE1 3.18Å; H199-E276 WeakPolarHBondContact CB-OE2 3.38Å; H199-E276 PolarHBondContact N-OE2 3.42Å | ||
| 200 | S | 91.7 | Very high | 93 | Very high | 69 Ų | 69 | 12.2 Ų | 12.2 | 48% | 0.483 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.1 | -164.6 | 64.5 | 0 | 0 | 0 | 0 | 116.7 | R203 E276 | S200-R203 PolarHBondContact O-NH1 3.29Å; S200-E276 PolarHBondContact N-OE1 2.8Å; S200-E276 VanDerWaalsContact N-OE1 3.15Å |
| 201 | M | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.1 | 179.8 | -57.5 | -162.1 | -61.6 | 0 | 0 | 112.8 | I168 H199 R203 Y258 D259 K263 V267 E276 | I168-M201 HydrophobicContact CB-CE 4.33Å; I168-M201 HydrophobicContact CD1-CE 3.76Å; I168-M201 HydrophobicContact CG2-CE 4.13Å; H199-M201 VanDerWaalsContact C-N 3.25Å; H199-M201 PolarHBondContact O-N 2.99Å; H199-M201 VanDerWaalsContact O-N 3.08Å; M201-R203 PolarHBondContact O-N 3.14Å; M201-Y258 HydrophobicContact CB-CD1 4.09Å; M201-Y258 WeakPolarHBondContact O-CA 3.34Å; M201-D259 WeakPolarHBondContact CB-O 3.4Å; M201-D259 PolarHBondContact O-N 2.8Å; M201-K263 HydrophobicContact CE-CG 4.4Å; M201-K263 HydrophobicContact SD-CD 4.03Å; M201-K263 WeakPolarHBondContact SD-CE 3.29Å; M201-K263 HydrophobicContact SD-CG 3.34Å; M201-K263 WeakPolarHBondContact SD-CG 3.49Å; M201-V267 HydrophobicContact CE-CB 3.71Å; M201-V267 HydrophobicContact CE-CG1 3.83Å; M201-V267 HydrophobicContact CE-CG2 3.75Å; M201-V267 HydrophobicContact SD-CG2 4.48Å; M201-E276 WeakPolarHBondContact CA-OE1 3.37Å; M201-E276 HydrophobicContact CB-CG 4.25Å; M201-E276 VanDerWaalsContact CB-OE1 3.25Å; M201-E276 WeakPolarHBondContact CB-OE1 3.37Å; M201-E276 HydrophobicContact CE-CG 3.47Å; M201-E276 VanDerWaalsContact CE-CG 3.47Å; M201-E276 WeakPolarHBondContact CG-OE1 3.47Å; M201-E276 PolarHBondContact N-OE1 3.13Å |
| 202 | G | 95.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 130.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H199 Q226 | H199-G202 PolarHBondContact O-N 3.22Å; G202-Q226 PolarHBondContact O-NE2 3.24Å |
| 203 | R | 95.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 15 Ų | 15 | 21% | 0.211 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -30.6 | 179.2 | -63.7 | -64.5 | 173.2 | -98.9 | -5.3 | 113.4 | S200 M201 V257 D259 V319 | S200-R203 PolarHBondContact O-NH1 3.29Å; M201-R203 PolarHBondContact O-N 3.14Å; R203-V257 PolarHBondContact N-O 2.82Å; R203-D259 HydrophobicContact CG-CB 3.63Å; R203-D259 IonicContact CZ-OD2 3.61Å; R203-D259 IonicContact NE-OD2 2.72Å; R203-D259 PolarHBondContact NE-OD2 2.87Å; R203-D259 IonicContact NH2-OD2 3.82Å; R203-D259 PolarHBondContact NH2-OD2 2.96Å; R203-V319 HydrophobicContact CB-CB 4.47Å; R203-V319 HydrophobicContact CB-CG1 3.94Å; R203-V319 HydrophobicContact CB-CG2 3.71Å |
| 204 | S | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 140.9 | 179.8 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | I206 V223 C256 V257 T322 | S204-I206 WeakPolarHBondContact OG-CG1 3.37Å; S204-V223 CarbonylContact C-O 3.52Å; S204-C256 CarbonylContact O-C 3.45Å; S204-C256 WeakPolarHBondContact O-CA 3.44Å; S204-V257 PolarHBondContact N-O 2.77Å; S204-V257 PolarHBondContact O-N 2.57Å; S204-T322 WeakPolarHBondContact OG-CB 3.43Å; S204-T322 PolarHBondContact OG-OG1 2.86Å |
| 205 | I | 96.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117.8 | 166.7 | -60.5 | 177.2 | 0 | 0 | 0 | 106.1 | H197 A198 V223 P225 R255 C256 M280 | H197-I205 VanDerWaalsContact N-CD1 3.35Å; H197-I205 WeakPolarHBondContact O-CD1 3.3Å; A198-I205 HydrophobicContact CB-CD1 4.16Å; I205-V223 HydrophobicContact CB-CB 4.44Å; I205-V223 PolarHBondContact N-O 2.9Å; I205-V223 PolarHBondContact O-N 2.87Å; I205-P225 HydrophobicContact CD1-CB 3.96Å; I205-P225 HydrophobicContact CD1-CG 4.24Å; I205-P225 HydrophobicContact CG1-CG 4.29Å; I205-R255 CarbonylContact C-O 3.54Å; I205-R255 WeakPolarHBondContact CA-O 3.38Å; I205-C256 HydrophobicContact CG1-CB 4.37Å; I205-M280 HydrophobicContact CG2-CB 4.01Å; I205-M280 HydrophobicContact CG2-CG 4.16Å; I205-M280 HydrophobicContact CG2-SD 4.29Å |
| 206 | I | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.7 | -176.2 | -50.5 | -174.7 | 0 | 0 | 0 | 109.8 | S204 Y208 L219 G221 R222 A254 R255 E313 S318 | S204-I206 WeakPolarHBondContact OG-CG1 3.37Å; I206-Y208 HydrophobicContact CB-CE2 3.93Å; I206-Y208 HydrophobicContact CG2-CD2 4.07Å; I206-Y208 HydrophobicContact CG2-CE1 4.11Å; I206-Y208 HydrophobicContact CG2-CE2 3.43Å; I206-Y208 VanDerWaalsContact CG2-CE2 3.43Å; I206-Y208 VanDerWaalsContact CG2-CZ 3.45Å; I206-L219 HydrophobicContact CG2-CD1 3.52Å; I206-G221 WeakPolarHBondContact CA-O 3.35Å; I206-R222 HydrophobicContact CD1-CG 3.93Å; I206-R222 HydrophobicContact CG1-CB 4.44Å; I206-R222 HydrophobicContact CG1-CG 3.97Å; I206-R222 HydrophobicContact CG2-CG 4.05Å; I206-A254 CarbonylContact O-C 3.55Å; I206-A254 VanDerWaalsContact O-CA 3.3Å; I206-A254 WeakPolarHBondContact O-CA 3.38Å; I206-R255 PolarHBondContact N-O 3.04Å; I206-R255 PolarHBondContact O-N 3.02Å; I206-E313 WeakPolarHBondContact CD1-OE1 3.37Å; I206-S318 VanDerWaalsContact CD1-CB 3.49Å |
| 207 | G | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L220 G221 M253 M280 | G207-L220 WeakPolarHBondContact O-CB 3.43Å; G207-L220 PolarHBondContact O-N 3.46Å; G207-G221 PolarHBondContact N-O 2.98Å; G207-G221 PolarHBondContact O-N 3.32Å; G207-M253 WeakPolarHBondContact CA-O 3.45Å; G207-M280 WeakPolarHBondContact CA-SD 3.44Å |
| 208 | Y | 93.9 | Very high | 89.1 | Confident | 12 Ų | 12 | 24.6 Ų | 24.6 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.1 | 172.7 | -58.5 | -87.5 | 0 | 0 | 0 | 110.6 | I206 Q218 L219 M253 W308 I311 | I206-Y208 HydrophobicContact CB-CE2 3.93Å; I206-Y208 HydrophobicContact CG2-CD2 4.07Å; I206-Y208 HydrophobicContact CG2-CE1 4.11Å; I206-Y208 HydrophobicContact CG2-CE2 3.43Å; I206-Y208 VanDerWaalsContact CG2-CE2 3.43Å; I206-Y208 VanDerWaalsContact CG2-CZ 3.45Å; Y208-Q218 CarbonylContact C-O 3.42Å; Y208-Q218 VanDerWaalsContact CA-O 3.27Å; Y208-Q218 WeakPolarHBondContact CA-O 3.45Å; Y208-L219 HydrophobicContact CD1-CD1 4.34Å; Y208-L219 HydrophobicContact CE1-CD1 4.02Å; Y208-M253 PolarHBondContact N-O 3.47Å; Y208-M253 PolarHBondContact O-N 3.05Å; Y208-W308 HydrophobicContact CD2-CH2 4.44Å; Y208-W308 HydrophobicContact CD2-CZ3 4.09Å; Y208-W308 HydrophobicContact CE2-CZ3 4.21Å; Y208-I311 HydrophobicContact CD1-CD1 4.21Å; Y208-I311 HydrophobicContact CD1-CG1 4.38Å; Y208-I311 HydrophobicContact CD2-CD1 3.68Å; Y208-I311 HydrophobicContact CE1-CG2 4.1Å; Y208-I311 HydrophobicContact CE2-CD1 4.13Å; Y208-I311 HydrophobicContact CE2-CG2 3.95Å; Y208-I311 HydrophobicContact CG-CD1 3.71Å; Y208-I311 HydrophobicContact CG-CG1 4.37Å |
| 209 | R | 91.2 | Very high | 88.9 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.1 | 164 | 169.2 | 178 | 170.2 | -119.3 | 2.4 | 108.1 | P211 A217 Q218 L220 E245 D250 I251 I252 I716 | R209-P211 HydrophobicContact CG-CG 4.49Å; R209-P211 WeakPolarHBondContact O-CD 3.33Å; R209-A217 CarbonylContact O-C 3.59Å; R209-A217 WeakPolarHBondContact O-CA 3.34Å; R209-Q218 HydrophobicContact CB-CB 4.47Å; R209-Q218 PolarHBondContact N-O 2.78Å; R209-Q218 PolarHBondContact O-N 2.69Å; R209-L220 HydrophobicContact CB-CD1 4.23Å; R209-L220 HydrophobicContact CB-CD2 3.91Å; R209-L220 HydrophobicContact CB-CG 4.16Å; R209-E245 PolarHBondContact NE-O 2.6Å; R209-E245 PolarHBondContact NH1-O 3.41Å; R209-E245 PolarHBondContact NH2-O 2.85Å; R209-D250 HydrophobicContact CG-CB 4.44Å; R209-D250 IonicContact CZ-OD2 3.29Å; R209-D250 IonicContact NE-OD1 2.62Å; R209-D250 IonicContact NE-OD2 2.81Å; R209-D250 PolarHBondContact NE-OD2 2.88Å; R209-D250 IonicContact NH2-OD1 2.79Å; R209-D250 IonicContact NH2-OD2 2.82Å; R209-D250 PolarHBondContact NH2-OD2 2.71Å; R209-I251 CarbonylContact C-O 3.47Å; R209-I251 WeakPolarHBondContact CA-O 3.45Å; R209-I252 HydrophobicContact CB-CD1 3.84Å; R209-I252 HydrophobicContact CG-CD1 3.95Å; R209-I716 PolarHBondContact NH1-O 2.77Å; R209-I716 PolarHBondContact NH2-O 2.83Å |
| 210 | L | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 99 | 171.5 | -167.4 | 73.1 | 0 | 0 | 0 | 108 | H212 G213 G215 A217 I251 M253 K307 F310 | L210-H212 PolarHBondContact O-N 3.32Å; L210-G213 WeakPolarHBondContact CD2-O 3.44Å; L210-G213 PolarHBondContact O-N 3.48Å; L210-G215 VanDerWaalsContact CD1-CA 3.41Å; L210-A217 HydrophobicContact CD1-CB 4.01Å; L210-I251 HydrophobicContact CB-CB 4.26Å; L210-I251 HydrophobicContact CD2-CD1 4.47Å; L210-I251 PolarHBondContact N-O 2.99Å; L210-I251 PolarHBondContact O-N 3.04Å; L210-M253 HydrophobicContact CB-SD 4.24Å; L210-K307 HydrophobicContact CD2-CB 3.83Å; L210-K307 HydrophobicContact CD2-CD 3.93Å; L210-K307 HydrophobicContact CD2-CG 4.06Å; L210-F310 HydrophobicContact CD1-CB 3.94Å; L210-F310 HydrophobicContact CD1-CD2 4.14Å; L210-F310 HydrophobicContact CD1-CG 4.18Å; L210-F310 HydrophobicContact CD2-CD2 3.98Å; L210-F310 HydrophobicContact CD2-CE2 4.48Å |
| 211 | P | 82 | Confident | 88.8 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -58.7 | 130.4 | -175.8 | -26 | 37.3 | 0 | 0 | 0 | 111.4 | R209 G213 H214 G215 P216 D250 Y717 | R209-P211 HydrophobicContact CG-CG 4.49Å; R209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-G213 PolarHBondContact O-N 2.9Å; P211-H214 PolarHBondContact O-N 2.95Å; P211-G215 PolarHBondContact O-N 2.8Å; P211-P216 WeakPolarHBondContact CD-O 3.37Å; P211-D250 VanDerWaalsContact CA-OD1 3.26Å; P211-D250 WeakPolarHBondContact CA-OD1 3.16Å; P211-Y717 HydrophobicContact CB-CD1 4.04Å; P211-Y717 HydrophobicContact CB-CE1 3.7Å; P211-Y717 HydrophobicContact CG-CD1 3.78Å; P211-Y717 HydrophobicContact CG-CE1 3.92Å |
| 212 | H | 79.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 22.4 Ų | 22.4 | 34% | 0.343 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | 50.4 | 16 | -173.7 | -51.8 | 95 | 0 | 0 | 0 | 114.2 | L210 H214 D249 D250 | L210-H212 PolarHBondContact O-N 3.32Å; H212-H214 PolarHBondContact O-CD2 3Å; H212-H214 PolarHBondContact O-N 2.6Å; H212-D249 CarbonylContact C-O 3.59Å; H212-D250 PolarHBondContact N-OD1 3.29Å |
| 213 | G | 82.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | 69.5 | 9.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L210 P211 K307 | L210-G213 WeakPolarHBondContact CD2-O 3.44Å; L210-G213 PolarHBondContact O-N 3.48Å; P211-G213 PolarHBondContact O-N 2.9Å; G213-K307 WeakPolarHBondContact O-CE 3.33Å; G213-K307 PolarHBondContact O-NZ 3.43Å |
| 214 | H | 80.3 | Confident | 88.5 | Confident | 142 Ų | 142 | 20.9 Ų | 20.9 | 66% | 0.657 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -31.6 | -178.4 | -71 | -82.1 | 0 | 0 | 0 | 113.8 | P211 H212 | P211-H214 PolarHBondContact O-N 2.95Å; H212-H214 PolarHBondContact O-CD2 3Å; H212-H214 PolarHBondContact O-N 2.6Å |
| 215 | G | 72 | Confident | 88.3 | Confident | 15 Ų | 15 | 21 Ų | 21 | 16% | 0.155 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 94.7 | -175 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L210 P211 | L210-G215 VanDerWaalsContact CD1-CA 3.41Å; P211-G215 PolarHBondContact O-N 2.8Å |
| 216 | P | 79.2 | Confident | 88 | Confident | 62 Ų | 62 | 25.1 Ų | 25.1 | 40% | 0.403 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | cis | -62.1 | 156.7 | 2.7 | 31.5 | -41 | 0 | 0 | 0 | 113.2 | P211 Q218 M569 | P211-P216 WeakPolarHBondContact CD-O 3.37Å; P216-Q218 PolarHBondContact O-N 3.39Å; P216-M569 HydrophobicContact CB-CE 4.08Å; P216-M569 HydrophobicContact CG-CE 3.72Å; P216-M569 HydrophobicContact CG-SD 3.76Å |
| 217 | A | 85.9 | Confident | 87.4 | Confident | 28 Ų | 28 | 26.1 Ų | 26.1 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 121.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R209 L210 I311 | R209-A217 CarbonylContact O-C 3.59Å; R209-A217 WeakPolarHBondContact O-CA 3.34Å; L210-A217 HydrophobicContact CD1-CB 4.01Å; A217-I311 HydrophobicContact CB-CD1 4.2Å; A217-I311 HydrophobicContact CB-CG1 3.59Å |
| 218 | Q | 85.9 | Confident | 86.7 | Confident | 16 Ų | 16 | 27.2 Ų | 27.2 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.2 | 175.6 | -170.1 | -171.8 | 19.9 | 0 | 0 | 110 | Y208 R209 P216 L220 V244 Y717 | Y208-Q218 CarbonylContact C-O 3.42Å; Y208-Q218 VanDerWaalsContact CA-O 3.27Å; Y208-Q218 WeakPolarHBondContact CA-O 3.45Å; R209-Q218 HydrophobicContact CB-CB 4.47Å; R209-Q218 PolarHBondContact N-O 2.78Å; R209-Q218 PolarHBondContact O-N 2.69Å; P216-Q218 PolarHBondContact O-N 3.39Å; Q218-L220 PolarHBondContact O-N 2.96Å; Q218-V244 VanDerWaalsContact OE1-CG1 3.23Å; Q218-Y717 VanDerWaalsContact CD-O 3.3Å; Q218-Y717 PolarHBondContact NE2-O 3.32Å |
| 219 | L | 89.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 28 Ų | 28 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119 | 174.9 | 177.1 | 68.6 | 0 | 0 | 0 | 111 | I206 Y208 R222 H238 S239 | I206-L219 HydrophobicContact CG2-CD1 3.52Å; Y208-L219 HydrophobicContact CD1-CD1 4.34Å; Y208-L219 HydrophobicContact CE1-CD1 4.02Å; L219-R222 HydrophobicContact CD1-CG 4.22Å; L219-H238 WeakPolarHBondContact CD2-O 3.09Å; L219-S239 PolarHBondContact O-OG 3.23Å |
| 220 | L | 91.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -28.6 | 171.4 | -56 | 175.3 | 0 | 0 | 0 | 112 | I191 I194 G207 R209 Q218 L234 S239 V244 I252 | I191-L220 HydrophobicContact CD1-CD1 3.95Å; I191-L220 HydrophobicContact CD1-CD2 4.4Å; I194-L220 HydrophobicContact CD1-CB 3.72Å; G207-L220 WeakPolarHBondContact O-CB 3.43Å; G207-L220 PolarHBondContact O-N 3.46Å; R209-L220 HydrophobicContact CB-CD1 4.23Å; R209-L220 HydrophobicContact CB-CD2 3.91Å; R209-L220 HydrophobicContact CB-CG 4.16Å; Q218-L220 PolarHBondContact O-N 2.96Å; L220-L234 WeakPolarHBondContact O-CD2 3.41Å; L220-S239 WeakPolarHBondContact O-CB 3.5Å; L220-V244 HydrophobicContact CD2-CB 3.99Å; L220-V244 HydrophobicContact CD2-CG1 3.88Å; L220-V244 HydrophobicContact CD2-CG2 3.95Å; L220-I252 HydrophobicContact CD1-CD1 4.34Å; L220-I252 HydrophobicContact CD1-CG2 4.29Å |
| 221 | G | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | 162.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I206 G207 L237 | I206-G221 WeakPolarHBondContact CA-O 3.35Å; G207-G221 PolarHBondContact N-O 2.98Å; G207-G221 PolarHBondContact O-N 3.32Å; G221-L237 CarbonylContact C-O 3.58Å; G221-L237 WeakPolarHBondContact CA-O 3.31Å |
| 222 | R | 93.4 | Very high | 85.9 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.8 | 175.6 | -62.2 | -163.3 | -173.2 | 68.4 | 15.3 | 111.4 | I206 L219 L237 E313 T322 E325 | I206-R222 HydrophobicContact CD1-CG 3.93Å; I206-R222 HydrophobicContact CG1-CB 4.44Å; I206-R222 HydrophobicContact CG1-CG 3.97Å; I206-R222 HydrophobicContact CG2-CG 4.05Å; L219-R222 HydrophobicContact CD1-CG 4.22Å; R222-L237 PolarHBondContact N-O 3.22Å; R222-E313 IonicContact CZ-OE1 3.94Å; R222-E313 IonicContact CZ-OE2 3.06Å; R222-E313 IonicContact NE-OE1 3.43Å; R222-E313 PolarHBondContact NE-OE1 3.45Å; R222-E313 IonicContact NE-OE2 3.15Å; R222-E313 IonicContact NH2-OE1 2.81Å; R222-E313 PolarHBondContact NH2-OE1 3.03Å; R222-E313 IonicContact NH2-OE2 2.64Å; R222-E313 PolarHBondContact NH2-OE2 3.09Å; R222-T322 WeakPolarHBondContact CD-OG1 3.46Å; R222-E325 WeakPolarHBondContact CD-OE2 3.47Å; R222-E325 IonicContact CZ-OE1 3.35Å; R222-E325 IonicContact NH1-OE1 2.8Å; R222-E325 PolarHBondContact NH1-OE1 2.93Å; R222-E325 IonicContact NH1-OE2 3.38Å; R222-E325 PolarHBondContact NH1-OE2 2.8Å |
| 223 | V | 92.9 | Very high | 86.2 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.8 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | I194 S204 I205 P225 L237 | I194-V223 HydrophobicContact CG2-CG2 3.99Å; S204-V223 CarbonylContact C-O 3.52Å; I205-V223 HydrophobicContact CB-CB 4.44Å; I205-V223 PolarHBondContact N-O 2.9Å; I205-V223 PolarHBondContact O-N 2.87Å; V223-P225 WeakPolarHBondContact O-CD 3.17Å; V223-L237 HydrophobicContact CG2-CD1 3.71Å; V223-L237 HydrophobicContact CG2-CD2 3.91Å; V223-L237 HydrophobicContact CG2-CG 4.42Å |
| 224 | N | 92.9 | Very high | 86.4 | Confident | 19 Ų | 19 | 27.6 Ų | 27.6 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | trans | -89.7 | 112.8 | 162 | 177.7 | -9.7 | 0 | 0 | 0 | 108.5 | Q226 L227 T322 T326 | N224-Q226 PolarHBondContact O-N 2.89Å; N224-Q226 VanDerWaalsContact O-N 3.14Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.2Å; N224-Q226 PolarHBondContact OD1-N 3.49Å; N224-L227 HydrophobicContact CB-CD1 4.16Å; N224-L227 HydrophobicContact CB-CG 4.02Å; N224-L227 WeakPolarHBondContact O-CB 3.49Å; N224-L227 PolarHBondContact O-N 3.31Å; N224-T322 HydrophobicContact CB-CG2 3.84Å; N224-T326 HydrophobicContact CB-CG2 3.68Å | ||
| 225 | P | 91.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.4 | -176.3 | 26.8 | -34.2 | 0 | 0 | 0 | 114 | A198 I205 V223 L227 Q229 | A198-P225 HydrophobicContact CB-CB 3.83Å; A198-P225 HydrophobicContact CB-CG 3.92Å; I205-P225 HydrophobicContact CD1-CB 3.96Å; I205-P225 HydrophobicContact CD1-CG 4.24Å; I205-P225 HydrophobicContact CG1-CG 4.29Å; V223-P225 WeakPolarHBondContact O-CD 3.17Å; P225-L227 VanDerWaalsContact C-N 3.29Å; P225-Q229 PolarHBondContact O-NE2 2.86Å |
| 226 | Q | 89.5 | Confident | 86.9 | Confident | 86 Ų | 86 | 26.8 Ų | 26.8 | 40% | 0.402 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2 | 176.7 | -49.2 | -54.6 | -44 | 0 | 0 | 113.6 | H199 G202 N224 | H199-Q226 PolarHBondContact O-NE2 2.92Å; G202-Q226 PolarHBondContact O-NE2 3.24Å; N224-Q226 PolarHBondContact O-N 2.89Å; N224-Q226 VanDerWaalsContact O-N 3.14Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.2Å; N224-Q226 PolarHBondContact OD1-N 3.49Å |
| 227 | L | 84.7 | Confident | 87.2 | Confident | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.115 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -82.5 | 169.6 | 174.2 | -71.9 | -173.3 | 0 | 0 | 0 | 112.2 | N224 P225 Q229 T326 L329 | N224-L227 HydrophobicContact CB-CD1 4.16Å; N224-L227 HydrophobicContact CB-CG 4.02Å; N224-L227 WeakPolarHBondContact O-CB 3.49Å; N224-L227 PolarHBondContact O-N 3.31Å; P225-L227 VanDerWaalsContact C-N 3.29Å; L227-Q229 PolarHBondContact O-N 3.2Å; L227-Q229 PolarHBondContact O-NE2 3.24Å; L227-T326 HydrophobicContact CD1-CG2 3.72Å; L227-L329 HydrophobicContact CD1-CB 4.46Å; L227-L329 HydrophobicContact CD1-CD1 4.24Å |
| 228 | P | 80.8 | Confident | 87.1 | Confident | 22 Ų | 22 | 26.6 Ų | 26.6 | 14% | 0.143 | 13% | 0.131 | C | C | . | . | trans | -45.9 | 134.4 | 172.4 | -30.9 | 36.9 | 0 | 0 | 0 | 113.1 | G101 L102 A104 A230 Y232 | G101-P228 WeakPolarHBondContact O-CB 3.15Å; L102-P228 HydrophobicContact CB-CB 3.96Å; L102-P228 HydrophobicContact CB-CG 3.9Å; A104-P228 HydrophobicContact CB-CB 4.32Å; P228-A230 PolarHBondContact O-N 3.39Å; P228-A230 VanDerWaalsContact O-N 3.07Å; P228-Y232 WeakPolarHBondContact O-CE2 3.37Å; P228-Y232 PolarHBondContact O-OH 2.87Å | ||
| 229 | Q | 82.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -80.6 | 95.4 | -173 | -66.8 | -64.7 | -66.1 | 0 | 0 | 109.1 | A99 W100 G101 H197 P225 L227 | A99-Q229 CarbonylContact C-O 3.58Å; W100-Q229 CarbonylContact C-O 3.52Å; W100-Q229 WeakPolarHBondContact CA-O 3.25Å; G101-Q229 PolarHBondContact N-O 3.5Å; G101-Q229 PolarHBondContact O-N 2.99Å; H197-Q229 PolarHBondContact ND1-OE1 2.84Å; P225-Q229 PolarHBondContact O-NE2 2.86Å; L227-Q229 PolarHBondContact O-N 3.2Å; L227-Q229 PolarHBondContact O-NE2 3.24Å |
| 230 | A | 82.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -143.6 | 163.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A104 R195 P228 Y232 | A104-A230 HydrophobicContact CB-CB 3.9Å; R195-A230 VanDerWaalsContact CB-O 3.24Å; R195-A230 WeakPolarHBondContact CB-O 3.23Å; R195-A230 WeakPolarHBondContact CG-O 3.19Å; P228-A230 PolarHBondContact O-N 3.39Å; P228-A230 VanDerWaalsContact O-N 3.07Å; A230-Y232 HydrophobicContact CB-CE1 4.31Å; A230-Y232 HydrophobicContact CB-CE2 4.1Å |
| 231 | F | 87.1 | Confident | 84.9 | Confident | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | trans | -82.9 | 123.2 | 159.5 | -74.4 | -90 | 0 | 0 | 0 | 108.6 | V158 A193 R195 Y281 M283 | V158-F231 HydrophobicContact CG1-CE1 4.24Å; V158-F231 HydrophobicContact CG1-CZ 3.99Å; V158-F231 HydrophobicContact CG2-CE1 4.47Å; V158-F231 HydrophobicContact CG2-CZ 4.08Å; A193-F231 HydrophobicContact CB-CB 4.13Å; R195-F231 HydrophobicContact CB-CD1 3.7Å; R195-F231 HydrophobicContact CB-CD2 4.23Å; R195-F231 HydrophobicContact CB-CE1 3.83Å; R195-F231 HydrophobicContact CB-CE2 4.34Å; R195-F231 HydrophobicContact CB-CG 3.93Å; R195-F231 HydrophobicContact CB-CZ 4.16Å; F231-Y281 HydrophobicContact CZ-CG 4.37Å; F231-M283 HydrophobicContact CB-CE 4Å; F231-M283 HydrophobicContact CB-SD 4.42Å; F231-M283 HydrophobicContact CD1-CB 3.66Å; F231-M283 HydrophobicContact CD1-CE 3.79Å; F231-M283 HydrophobicContact CD1-SD 4.47Å; F231-M283 HydrophobicContact CD2-CE 3.51Å; F231-M283 HydrophobicContact CE1-CB 3.85Å; F231-M283 HydrophobicContact CE1-CE 4.08Å; F231-M283 HydrophobicContact CE2-CE 3.82Å; F231-M283 HydrophobicContact CG-CB 4.45Å; F231-M283 HydrophobicContact CG-CE 3.48Å; F231-M283 VanDerWaalsContact CG-CE 3.48Å; F231-M283 HydrophobicContact CG-SD 4.36Å; F231-M283 HydrophobicContact CZ-CE 4.08Å | ||
| 232 | Y | 86.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.9 | 179 | -66.1 | -76.6 | 0 | 0 | 0 | 110.2 | A193 I194 P228 A230 Q236 L237 L333 | A193-Y232 CarbonylContact C-O 3.5Å; A193-Y232 WeakPolarHBondContact CA-O 3.47Å; A193-Y232 VanDerWaalsContact CB-O 3.27Å; A193-Y232 WeakPolarHBondContact CB-O 3.49Å; I194-Y232 PolarHBondContact N-O 2.82Å; I194-Y232 PolarHBondContact O-N 3.13Å; P228-Y232 WeakPolarHBondContact O-CE2 3.37Å; P228-Y232 PolarHBondContact O-OH 2.87Å; A230-Y232 HydrophobicContact CB-CE1 4.31Å; A230-Y232 HydrophobicContact CB-CE2 4.1Å; Y232-Q236 HydrophobicContact CD1-CG 4.33Å; Y232-L237 HydrophobicContact CD2-CD2 4.25Å; Y232-L237 HydrophobicContact CG-CD2 4.11Å; Y232-L333 HydrophobicContact CE1-CD1 4.3Å; Y232-L333 HydrophobicContact CE1-CD2 4.44Å |
| 233 | P | 86.3 | Confident | 83.4 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 33% | 0.331 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 145.3 | 173.2 | -25.3 | 34.5 | 0 | 0 | 0 | 112.1 | M192 K235 Q236 L237 | M192-P233 WeakPolarHBondContact O-CA 3.45Å; P233-K235 VanDerWaalsContact C-N 3.25Å; P233-K235 PolarHBondContact O-N 2.89Å; P233-K235 VanDerWaalsContact O-N 3.14Å; P233-Q236 WeakPolarHBondContact O-CA 3.12Å; P233-Q236 WeakPolarHBondContact O-CB 3.31Å; P233-Q236 PolarHBondContact O-N 2.76Å; P233-L237 PolarHBondContact O-N 2.92Å |
| 234 | L | 86 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -55.2 | -39.5 | -172.3 | -55.4 | -170.7 | 0 | 0 | 0 | 113.4 | I191 M192 I194 L220 Q236 L237 H238 S239 F241 V244 | I191-L234 HydrophobicContact CG2-CD1 4.04Å; I191-L234 HydrophobicContact CG2-CD2 3.91Å; I191-L234 HydrophobicContact CG2-CG 4.47Å; M192-L234 PolarHBondContact O-N 2.79Å; I194-L234 HydrophobicContact CD1-CD2 3.96Å; I194-L234 HydrophobicContact CG1-CD2 3.82Å; L220-L234 WeakPolarHBondContact O-CD2 3.41Å; L234-Q236 VanDerWaalsContact C-N 3.3Å; L234-Q236 PolarHBondContact O-N 2.91Å; L234-L237 CarbonylContact O-C 3.58Å; L234-L237 WeakPolarHBondContact O-CA 3.41Å; L234-L237 WeakPolarHBondContact O-CB 3.23Å; L234-L237 PolarHBondContact O-N 3.34Å; L234-H238 PolarHBondContact O-N 2.93Å; L234-S239 VanDerWaalsContact O-CB 3.29Å; L234-S239 WeakPolarHBondContact O-CB 3.43Å; L234-S239 PolarHBondContact O-N 2.89Å; L234-F241 WeakPolarHBondContact CB-O 3.17Å; L234-V244 HydrophobicContact CD1-CB 4.37Å; L234-V244 HydrophobicContact CD1-CG2 3.88Å |
| 235 | K | 79.9 | Confident | 82.6 | Confident | 109 Ų | 109 | 35.8 Ų | 35.8 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -65.4 | -28.8 | 177.7 | -159.8 | 158.9 | -171.9 | 155.2 | 0 | 114.3 | P233 L237 H238 F241 D242 | P233-K235 VanDerWaalsContact C-N 3.25Å; P233-K235 PolarHBondContact O-N 2.89Å; P233-K235 VanDerWaalsContact O-N 3.14Å; K235-L237 VanDerWaalsContact C-N 3.26Å; K235-H238 PolarHBondContact O-N 3.07Å; K235-F241 PolarHBondContact N-O 2.96Å; K235-D242 WeakPolarHBondContact CB-OD1 3.23Å; K235-D242 VanDerWaalsContact CD-CG 3.44Å; K235-D242 WeakPolarHBondContact CD-OD1 3.14Å; K235-D242 VanDerWaalsContact CD-OD2 3.3Å; K235-D242 WeakPolarHBondContact CD-OD2 3.3Å; K235-D242 IonicContact NZ-OD1 2.91Å; K235-D242 IonicContact NZ-OD2 3.92Å; K235-D242 PolarHBondContact NZ-OD2 2.91Å |
| 236 | Q | 82.3 | Confident | 82.4 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -75.5 | -18.6 | 172 | 178.5 | 169.8 | 1.3 | 0 | 0 | 111.9 | Y232 P233 L234 L329 | Y232-Q236 HydrophobicContact CD1-CG 4.33Å; P233-Q236 WeakPolarHBondContact O-CA 3.12Å; P233-Q236 WeakPolarHBondContact O-CB 3.31Å; P233-Q236 PolarHBondContact O-N 2.76Å; L234-Q236 VanDerWaalsContact C-N 3.3Å; L234-Q236 PolarHBondContact O-N 2.91Å; Q236-L329 HydrophobicContact CG-CD2 3.69Å |
| 237 | L | 86.7 | Confident | 81.9 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -99.9 | 19.1 | 174.7 | -58.4 | 178.6 | 0 | 0 | 0 | 112.9 | I194 G221 R222 V223 Y232 P233 L234 K235 S239 | I194-L237 HydrophobicContact CB-CD1 3.69Å; I194-L237 HydrophobicContact CG2-CD1 4.48Å; G221-L237 CarbonylContact C-O 3.58Å; G221-L237 WeakPolarHBondContact CA-O 3.31Å; R222-L237 PolarHBondContact N-O 3.22Å; V223-L237 HydrophobicContact CG2-CD1 3.71Å; V223-L237 HydrophobicContact CG2-CD2 3.91Å; V223-L237 HydrophobicContact CG2-CG 4.42Å; Y232-L237 HydrophobicContact CD2-CD2 4.25Å; Y232-L237 HydrophobicContact CG-CD2 4.11Å; P233-L237 PolarHBondContact O-N 2.92Å; L234-L237 CarbonylContact O-C 3.58Å; L234-L237 WeakPolarHBondContact O-CA 3.41Å; L234-L237 WeakPolarHBondContact O-CB 3.23Å; L234-L237 PolarHBondContact O-N 3.34Å; K235-L237 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 2.93Å |
| 238 | H | 83.8 | Confident | 81.4 | Confident | 84 Ų | 84 | 35.3 Ų | 35.3 | 39% | 0.389 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 23.3 | 179.4 | -54.8 | -83.1 | 0 | 0 | 0 | 115.2 | L219 L234 K235 E325 | L219-H238 WeakPolarHBondContact CD2-O 3.09Å; L234-H238 PolarHBondContact O-N 2.93Å; K235-H238 PolarHBondContact O-N 3.07Å; H238-E325 VanDerWaalsContact CD2-CB 3.48Å; H238-E325 WeakPolarHBondContact CD2-CB 3.35Å; H238-E325 IonicContact CD2-OE2 3.83Å; H238-E325 PolarHBondContact CD2-OE2 2.9Å; H238-E325 IonicContact CG-OE2 3.05Å; H238-E325 WeakPolarHBondContact NE2-CB 3.32Å |
| 239 | S | 81.3 | Confident | 81.4 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | trans | -63.9 | 151.3 | 155.1 | -165 | 0 | 0 | 0 | 0 | 109.5 | L219 L220 L234 L237 F241 | L219-S239 PolarHBondContact O-OG 3.23Å; L220-S239 WeakPolarHBondContact O-CB 3.5Å; L234-S239 VanDerWaalsContact O-CB 3.29Å; L234-S239 WeakPolarHBondContact O-CB 3.43Å; L234-S239 PolarHBondContact O-N 2.89Å; L237-S239 PolarHBondContact O-N 2.93Å; S239-F241 PolarHBondContact O-N 2.88Å | ||
| 240 | E | 69.6 | Low | 81.6 | Confident | 135 Ų | 135 | 35.7 Ų | 35.7 | 63% | 0.631 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -67.2 | -21.8 | 178 | -64.7 | 177.8 | 170.2 | 0 | 0 | 112 | ||
| 241 | F | 70.7 | Confident | 82 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -133.9 | 165 | -169.3 | -55.6 | -70.9 | 0 | 0 | 0 | 114 | L234 K235 S239 Q718 | L234-F241 WeakPolarHBondContact CB-O 3.17Å; K235-F241 PolarHBondContact N-O 2.96Å; S239-F241 PolarHBondContact O-N 2.88Å; F241-Q718 WeakPolarHBondContact CD1-O 3.46Å; F241-Q718 HydrophobicContact CD2-CB 4.2Å; F241-Q718 WeakPolarHBondContact CD2-O 3.3Å; F241-Q718 HydrophobicContact CE1-CB 4.03Å; F241-Q718 WeakPolarHBondContact CE1-O 3.43Å; F241-Q718 VanDerWaalsContact CE2-C 3.45Å; F241-Q718 HydrophobicContact CE2-CB 3.39Å; F241-Q718 HydrophobicContact CE2-CG 3.66Å; F241-Q718 VanDerWaalsContact CE2-O 3.28Å; F241-Q718 WeakPolarHBondContact CE2-O 3.35Å; F241-Q718 WeakPolarHBondContact CG-O 3.41Å; F241-Q718 HydrophobicContact CZ-CB 3.31Å; F241-Q718 HydrophobicContact CZ-CG 3.54Å; F241-Q718 WeakPolarHBondContact CZ-O 3.38Å |
| 242 | D | 71.1 | Confident | 82.3 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 34% | 0.342 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -82.7 | -24.2 | -178.7 | -71.2 | -69.1 | 0 | 0 | 0 | 112.8 | K235 | K235-D242 WeakPolarHBondContact CB-OD1 3.23Å; K235-D242 VanDerWaalsContact CD-CG 3.44Å; K235-D242 WeakPolarHBondContact CD-OD1 3.14Å; K235-D242 VanDerWaalsContact CD-OD2 3.3Å; K235-D242 WeakPolarHBondContact CD-OD2 3.3Å; K235-D242 IonicContact NZ-OD1 2.91Å; K235-D242 IonicContact NZ-OD2 3.92Å; K235-D242 PolarHBondContact NZ-OD2 2.91Å |
| 243 | G | 81.7 | Confident | 82.8 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -152.6 | 159.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I191 G719 S720 | I191-G243 CarbonylContact O-C 3.53Å; I191-G243 WeakPolarHBondContact O-CA 3.34Å; G243-G719 CarbonylContact O-C 3.56Å; G243-G719 WeakPolarHBondContact O-CA 3.46Å; G243-S720 PolarHBondContact O-N 2.95Å |
| 244 | V | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.5 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | T190 I191 Q218 L220 L234 | T190-V244 CarbonylContact C-O 3.58Å; T190-V244 WeakPolarHBondContact CA-O 3.5Å; I191-V244 PolarHBondContact N-O 3.2Å; I191-V244 PolarHBondContact O-N 2.84Å; Q218-V244 VanDerWaalsContact OE1-CG1 3.23Å; L220-V244 HydrophobicContact CD2-CB 3.99Å; L220-V244 HydrophobicContact CD2-CG1 3.88Å; L220-V244 HydrophobicContact CD2-CG2 3.95Å; L234-V244 HydrophobicContact CD1-CB 4.37Å; L234-V244 HydrophobicContact CD1-CG2 3.88Å |
| 245 | E | 84.1 | Confident | 83.8 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140.1 | 171.2 | -175.6 | 163.9 | 121.2 | 0 | 0 | 110.7 | P188 I189 R209 D644 S645 | P188-E245 HydrophobicContact CB-CG 3.58Å; I189-E245 CarbonylContact O-C 3.6Å; I189-E245 VanDerWaalsContact O-CA 3.3Å; I189-E245 WeakPolarHBondContact O-CA 3.33Å; R209-E245 PolarHBondContact NE-O 2.6Å; R209-E245 PolarHBondContact NH1-O 3.41Å; R209-E245 PolarHBondContact NH2-O 2.85Å; E245-D644 VanDerWaalsContact OE2-CG 3.31Å; E245-S645 VanDerWaalsContact CD-OG 3.31Å; E245-S645 WeakPolarHBondContact OE1-CB 3.01Å; E245-S645 WeakPolarHBondContact OE2-CB 3.45Å; E245-S645 PolarHBondContact OE2-N 3.45Å; E245-S645 PolarHBondContact OE2-OG 2.84Å |
| 246 | V | 86.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.2 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | P188 I189 I191 D250 I252 | P188-V246 VanDerWaalsContact CA-O 3.28Å; P188-V246 WeakPolarHBondContact CA-O 3.31Å; P188-V246 WeakPolarHBondContact CB-O 3.46Å; I189-V246 HydrophobicContact CG1-CB 3.88Å; I189-V246 HydrophobicContact CG1-CG2 4.29Å; I189-V246 PolarHBondContact N-O 2.74Å; I189-V246 PolarHBondContact O-N 3.34Å; I191-V246 HydrophobicContact CD1-CG2 3.53Å; I191-V246 HydrophobicContact CG1-CG2 3.77Å; V246-D250 WeakPolarHBondContact CA-OD2 3.48Å; V246-D250 HydrophobicContact CG1-CB 3.77Å; V246-I252 HydrophobicContact CG1-CD1 3.87Å; V246-I252 HydrophobicContact CG1-CG1 4.16Å; V246-I252 HydrophobicContact CG2-CD1 3.95Å |
| 247 | G | 79.4 | Confident | 85.4 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | trans | -97.1 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D249 D250 | G247-D249 VanDerWaalsContact C-N 3.28Å; G247-D249 PolarHBondContact O-N 3.26Å; G247-D250 PolarHBondContact N-OD2 3.07Å; G247-D250 VanDerWaalsContact O-CB 3.31Å; G247-D250 WeakPolarHBondContact O-CB 3.43Å; G247-D250 PolarHBondContact O-N 2.88Å | ||
| 248 | D | 74.6 | Confident | 85.9 | Confident | 83 Ų | 83 | 26.5 Ų | 26.5 | 44% | 0.444 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.4 | -166.3 | -53.8 | -28.2 | 0 | 0 | 0 | 114.5 | S185 | S185-D248 VanDerWaalsContact O-OD1 3.14Å; S185-D248 PolarHBondContact OG-OD1 3.01Å |
| 249 | D | 81.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 24.2 Ų | 24.2 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -13.6 | 176.7 | -83.7 | -52.5 | 0 | 0 | 0 | 114.5 | R182 H212 G247 | R182-D249 IonicContact CZ-OD1 3.63Å; R182-D249 PolarHBondContact NE-O 3.19Å; R182-D249 VanDerWaalsContact NE-O 3.16Å; R182-D249 PolarHBondContact NH2-O 2.88Å; R182-D249 IonicContact NH2-OD1 3.5Å; R182-D249 PolarHBondContact NH2-OD1 2.82Å; H212-D249 CarbonylContact C-O 3.59Å; G247-D249 VanDerWaalsContact C-N 3.28Å; G247-D249 PolarHBondContact O-N 3.26Å |
| 250 | D | 87.2 | Confident | 87.2 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 135.5 | -176.7 | -68.4 | -24.4 | 0 | 0 | 0 | 111.8 | R182 R209 P211 H212 V246 G247 | R182-D250 WeakPolarHBondContact CG-O 3.45Å; R209-D250 HydrophobicContact CG-CB 4.44Å; R209-D250 IonicContact CZ-OD2 3.29Å; R209-D250 IonicContact NE-OD1 2.62Å; R209-D250 IonicContact NE-OD2 2.81Å; R209-D250 PolarHBondContact NE-OD2 2.88Å; R209-D250 IonicContact NH2-OD1 2.79Å; R209-D250 IonicContact NH2-OD2 2.82Å; R209-D250 PolarHBondContact NH2-OD2 2.71Å; P211-D250 VanDerWaalsContact CA-OD1 3.26Å; P211-D250 WeakPolarHBondContact CA-OD1 3.16Å; H212-D250 PolarHBondContact N-OD1 3.29Å; V246-D250 WeakPolarHBondContact CA-OD2 3.48Å; V246-D250 HydrophobicContact CG1-CB 3.77Å; G247-D250 PolarHBondContact N-OD2 3.07Å; G247-D250 VanDerWaalsContact O-CB 3.31Å; G247-D250 WeakPolarHBondContact O-CB 3.43Å; G247-D250 PolarHBondContact O-N 2.88Å |
| 251 | I | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.2 | 175.2 | -57.2 | 168.4 | 0 | 0 | 0 | 108.4 | C181 R182 R209 L210 M253 Y304 K307 | C181-I251 CarbonylContact O-C 3.57Å; C181-I251 WeakPolarHBondContact O-CA 3.47Å; R182-I251 HydrophobicContact CG-CG1 4.04Å; R209-I251 CarbonylContact C-O 3.47Å; R209-I251 WeakPolarHBondContact CA-O 3.45Å; L210-I251 HydrophobicContact CB-CB 4.26Å; L210-I251 HydrophobicContact CD2-CD1 4.47Å; L210-I251 PolarHBondContact N-O 2.99Å; L210-I251 PolarHBondContact O-N 3.04Å; I251-M253 HydrophobicContact CG2-CG 3.8Å; I251-M253 HydrophobicContact CG2-SD 4.35Å; I251-Y304 HydrophobicContact CD1-CD1 3.62Å; I251-Y304 HydrophobicContact CD1-CD2 4.04Å; I251-Y304 HydrophobicContact CD1-CE1 4.01Å; I251-Y304 HydrophobicContact CD1-CE2 4.4Å; I251-Y304 HydrophobicContact CD1-CG 3.63Å; I251-Y304 HydrophobicContact CG1-CD1 4.45Å; I251-Y304 HydrophobicContact CG1-CD2 4.1Å; I251-Y304 HydrophobicContact CG1-CE2 4.22Å; I251-Y304 HydrophobicContact CG1-CG 4.21Å; I251-Y304 HydrophobicContact CG2-CD2 3.62Å; I251-Y304 HydrophobicContact CG2-CE2 4.34Å; I251-Y304 HydrophobicContact CG2-CG 3.98Å; I251-K307 HydrophobicContact CD1-CG 4.16Å |
| 252 | I | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.5 | 171.3 | -55.8 | -56.1 | 0 | 0 | 0 | 108.6 | L161 S180 C181 I183 I191 R209 L220 V246 I282 | L161-I252 HydrophobicContact CD1-CG2 4Å; L161-I252 HydrophobicContact CD2-CG2 3.89Å; S180-I252 WeakPolarHBondContact CA-O 3.3Å; C181-I252 PolarHBondContact N-O 3.06Å; C181-I252 PolarHBondContact O-N 3.35Å; I183-I252 HydrophobicContact CD1-CG1 3.84Å; I183-I252 HydrophobicContact CG1-CG1 4.13Å; I191-I252 HydrophobicContact CD1-CD1 4.21Å; R209-I252 HydrophobicContact CB-CD1 3.84Å; R209-I252 HydrophobicContact CG-CD1 3.95Å; L220-I252 HydrophobicContact CD1-CD1 4.34Å; L220-I252 HydrophobicContact CD1-CG2 4.29Å; V246-I252 HydrophobicContact CG1-CD1 3.87Å; V246-I252 HydrophobicContact CG1-CG1 4.16Å; V246-I252 HydrophobicContact CG2-CD1 3.95Å; I252-I282 HydrophobicContact CG2-CD1 3.49Å; I252-I282 VanDerWaalsContact CG2-CD1 3.49Å |
| 253 | M | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.8 | -171.9 | -49.5 | 178.7 | 68.9 | 0 | 0 | 109.8 | V179 G207 Y208 L210 I251 K307 W308 I311 | V179-M253 CarbonylContact O-C 3.52Å; V179-M253 VanDerWaalsContact O-CA 3.27Å; V179-M253 WeakPolarHBondContact O-CA 3.38Å; G207-M253 WeakPolarHBondContact CA-O 3.45Å; Y208-M253 PolarHBondContact N-O 3.47Å; Y208-M253 PolarHBondContact O-N 3.05Å; L210-M253 HydrophobicContact CB-SD 4.24Å; I251-M253 HydrophobicContact CG2-CG 3.8Å; I251-M253 HydrophobicContact CG2-SD 4.35Å; M253-K307 HydrophobicContact CE-CB 4.11Å; M253-K307 HydrophobicContact SD-CB 4.44Å; M253-W308 HydrophobicContact CB-CH2 3.83Å; M253-W308 HydrophobicContact CB-CZ2 3.88Å; M253-W308 HydrophobicContact CE-CD2 3.49Å; M253-W308 VanDerWaalsContact CE-CD2 3.49Å; M253-W308 VanDerWaalsContact CE-CE2 3.43Å; M253-W308 HydrophobicContact CE-CE3 4Å; M253-W308 HydrophobicContact CE-CG 3.79Å; M253-W308 HydrophobicContact CE-CH2 4.34Å; M253-W308 HydrophobicContact CE-CZ2 3.88Å; M253-W308 HydrophobicContact CE-CZ3 4.4Å; M253-I311 HydrophobicContact CE-CD1 4.24Å; M253-I311 HydrophobicContact SD-CD1 4.11Å |
| 254 | A | 96.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L161 D178 V179 I206 M280 W308 | L161-A254 HydrophobicContact CB-CB 4.24Å; L161-A254 HydrophobicContact CD2-CB 4.02Å; D178-A254 CarbonylContact C-O 3.58Å; D178-A254 WeakPolarHBondContact CA-O 3.4Å; V179-A254 HydrophobicContact CB-CB 4.13Å; V179-A254 HydrophobicContact CG2-CB 4.24Å; V179-A254 PolarHBondContact N-O 3.15Å; V179-A254 PolarHBondContact O-N 3Å; I206-A254 CarbonylContact O-C 3.55Å; I206-A254 VanDerWaalsContact O-CA 3.3Å; I206-A254 WeakPolarHBondContact O-CA 3.38Å; A254-M280 HydrophobicContact CB-CB 4.2Å; A254-M280 HydrophobicContact CB-CE 3.64Å; A254-M280 HydrophobicContact CB-SD 3.79Å; A254-W308 WeakPolarHBondContact O-CH2 3.27Å; A254-W308 WeakPolarHBondContact O-CZ2 3.45Å |
| 255 | R | 97 | Very high | 91.6 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.7 | 174.4 | 172.7 | 165.4 | -72.1 | 165.2 | -0.3 | 110.4 | P176 D178 I205 I206 V257 W308 E313 | P176-R255 HydrophobicContact CB-CG 4.36Å; D178-R255 VanDerWaalsContact OD1-CB 3.25Å; D178-R255 WeakPolarHBondContact OD1-CB 3.35Å; D178-R255 WeakPolarHBondContact OD1-CG 3.36Å; D178-R255 IonicContact OD1-CZ 3.93Å; D178-R255 IonicContact OD1-NE 3.88Å; D178-R255 PolarHBondContact OD1-NE 2.86Å; D178-R255 IonicContact OD1-NH2 3.68Å; D178-R255 IonicContact OD2-CZ 2.68Å; D178-R255 IonicContact OD2-NE 3.71Å; D178-R255 PolarHBondContact OD2-NE 2.91Å; D178-R255 IonicContact OD2-NH2 2.75Å; D178-R255 PolarHBondContact OD2-NH2 3.38Å; I205-R255 CarbonylContact C-O 3.54Å; I205-R255 WeakPolarHBondContact CA-O 3.38Å; I206-R255 PolarHBondContact N-O 3.04Å; I206-R255 PolarHBondContact O-N 3.02Å; R255-V257 HydrophobicContact CG-CG2 3.85Å; R255-W308 HydrophobicContact CB-CH2 3.77Å; R255-W308 HydrophobicContact CB-CZ3 3.96Å; R255-W308 VanDerWaalsContact NH2-CE3 3.27Å; R255-E313 PolarHBondContact NH1-O 3.31Å |
| 256 | C | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.7 | 168.7 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | P176 I177 S204 I205 Y258 C278 | P176-C256 CarbonylContact C-O 3.51Å; P176-C256 WeakPolarHBondContact CA-O 3.27Å; I177-C256 PolarHBondContact N-O 3.05Å; I177-C256 PolarHBondContact O-N 2.88Å; S204-C256 CarbonylContact O-C 3.45Å; S204-C256 WeakPolarHBondContact O-CA 3.44Å; I205-C256 HydrophobicContact CG1-CB 4.37Å; C256-Y258 HydrophobicContact CB-CE2 3.49Å; C256-Y258 VanDerWaalsContact CB-CE2 3.49Å; C256-Y258 WeakPolarHBondContact CB-OH 3.23Å; C256-C278 HydrophobicContact CB-CB 3.77Å; C256-C278 WeakPolarHBondContact CB-SG 3.44Å; C256-C278 WeakPolarHBondContact SG-CA 3.29Å; C256-C278 WeakPolarHBondContact SG-CB 3.49Å; C256-C278 CovalentContact SG-SG 2.04Å; C256-C278 PolarHBondContact SG-SG 3.44Å |
| 257 | V | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.8 | 178.5 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | F175 R203 S204 R255 P315 V319 | F175-V257 WeakPolarHBondContact O-CA 3.41Å; R203-V257 PolarHBondContact N-O 2.82Å; S204-V257 PolarHBondContact N-O 2.77Å; S204-V257 PolarHBondContact O-N 2.57Å; R255-V257 HydrophobicContact CG-CG2 3.85Å; V257-P315 HydrophobicContact CG1-CB 3.88Å; V257-P315 HydrophobicContact CG2-CB 4.26Å; V257-V319 HydrophobicContact CB-CG2 3.86Å; V257-V319 HydrophobicContact CG1-CG2 3.55Å |
| 258 | Y | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.9 | -172.3 | -58.8 | -92.2 | 0 | 0 | 0 | 113.1 | I168 K173 S174 F175 I177 A198 M201 C256 E276 M277 C278 | I168-Y258 HydrophobicContact CD1-CD1 3.54Å; I168-Y258 HydrophobicContact CD1-CD2 3.78Å; I168-Y258 HydrophobicContact CD1-CE1 3.94Å; I168-Y258 HydrophobicContact CD1-CE2 4.17Å; I168-Y258 HydrophobicContact CD1-CG 3.46Å; I168-Y258 VanDerWaalsContact CD1-CG 3.46Å; I168-Y258 HydrophobicContact CG1-CD2 4.28Å; I168-Y258 HydrophobicContact CG1-CG 4.3Å; K173-Y258 CarbonylContact C-O 3.19Å; S174-Y258 CarbonylContact C-O 3.51Å; S174-Y258 VanDerWaalsContact CA-O 3.31Å; S174-Y258 WeakPolarHBondContact CA-O 3.49Å; S174-Y258 PolarHBondContact N-O 2.86Å; F175-Y258 PolarHBondContact N-O 2.95Å; F175-Y258 PolarHBondContact O-N 2.92Å; I177-Y258 HydrophobicContact CB-CE2 4.09Å; I177-Y258 HydrophobicContact CD1-CD2 4.02Å; I177-Y258 HydrophobicContact CD1-CE2 3.7Å; I177-Y258 HydrophobicContact CG1-CD2 4.43Å; I177-Y258 HydrophobicContact CG1-CE2 4.17Å; A198-Y258 HydrophobicContact CB-CE1 4.09Å; M201-Y258 HydrophobicContact CB-CD1 4.09Å; M201-Y258 WeakPolarHBondContact O-CA 3.34Å; C256-Y258 HydrophobicContact CB-CE2 3.49Å; C256-Y258 VanDerWaalsContact CB-CE2 3.49Å; C256-Y258 WeakPolarHBondContact CB-OH 3.23Å; Y258-E276 HydrophobicContact CD1-CG 4.1Å; Y258-E276 HydrophobicContact CE1-CB 4.09Å; Y258-E276 HydrophobicContact CE1-CG 4.04Å; Y258-E276 WeakPolarHBondContact CE1-OE2 3.43Å; Y258-M277 PolarHBondContact OH-O 2.88Å; Y258-C278 VanDerWaalsContact OH-CA 3.22Å; Y258-C278 WeakPolarHBondContact OH-CA 3.27Å; Y258-C278 WeakPolarHBondContact OH-CB 3.35Å; Y258-C278 PolarHBondContact OH-N 3.41Å |
| 259 | D | 96.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | trans | -117.2 | 99.9 | 174 | 166 | 26.2 | 0 | 0 | 0 | 109 | K173 M201 R203 M261 | K173-D259 WeakPolarHBondContact O-CA 3.3Å; K173-D259 WeakPolarHBondContact O-CB 3.34Å; M201-D259 WeakPolarHBondContact CB-O 3.4Å; M201-D259 PolarHBondContact O-N 2.8Å; R203-D259 HydrophobicContact CG-CB 3.63Å; R203-D259 IonicContact CZ-OD2 3.61Å; R203-D259 IonicContact NE-OD2 2.72Å; R203-D259 PolarHBondContact NE-OD2 2.87Å; R203-D259 IonicContact NH2-OD2 3.82Å; R203-D259 PolarHBondContact NH2-OD2 2.96Å; D259-M261 WeakPolarHBondContact OD1-CB 3.42Å; D259-M261 VanDerWaalsContact OD1-CG 3.3Å; D259-M261 WeakPolarHBondContact OD1-CG 3.47Å; D259-M261 PolarHBondContact OD1-N 2.59Å | ||
| 260 | S | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | trans | -101.6 | 14.8 | -178.2 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | P169 G171 V172 S262 K263 | P169-S260 WeakPolarHBondContact O-CB 3.34Å; P169-S260 PolarHBondContact O-OG 3.37Å; G171-S260 PolarHBondContact N-O 3.36Å; V172-S260 PolarHBondContact N-OG 3.1Å; V172-S260 PolarHBondContact O-N 2.84Å; V172-S260 PolarHBondContact O-OG 3.01Å; V172-S260 VanDerWaalsContact O-OG 3.06Å; S260-S262 PolarHBondContact O-N 2.68Å; S260-K263 PolarHBondContact O-N 2.73Å | ||
| 261 | M | 96 | Very high | 94.3 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 56% | 0.562 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.4 | -180 | -70.4 | -63.5 | -52.3 | 0 | 0 | 113.9 | G171 K173 D259 | G171-M261 VanDerWaalsContact O-SD 3.33Å; K173-M261 HydrophobicContact CB-CG 4.01Å; K173-M261 HydrophobicContact CB-SD 4.02Å; D259-M261 WeakPolarHBondContact OD1-CB 3.42Å; D259-M261 VanDerWaalsContact OD1-CG 3.3Å; D259-M261 WeakPolarHBondContact OD1-CG 3.47Å; D259-M261 PolarHBondContact OD1-N 2.59Å |
| 262 | S | 93.1 | Very high | 93.7 | Very high | 99 Ų | 99 | 47 Ų | 47 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.5 | 179.1 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | S260 | S260-S262 PolarHBondContact O-N 2.68Š|
| 263 | K | 93.3 | Very high | 93 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | trans | -96.4 | 148.9 | 179.4 | -59.5 | -67.7 | -175.1 | 160.6 | 0 | 111 | P170 M201 S260 V267 | P170-K263 HydrophobicContact CB-CB 4.33Å; P170-K263 VanDerWaalsContact CB-O 3.23Å; P170-K263 WeakPolarHBondContact CB-O 3.48Å; M201-K263 HydrophobicContact CE-CG 4.4Å; M201-K263 HydrophobicContact SD-CD 4.03Å; M201-K263 WeakPolarHBondContact SD-CE 3.29Å; M201-K263 HydrophobicContact SD-CG 3.34Å; M201-K263 WeakPolarHBondContact SD-CG 3.49Å; S260-K263 PolarHBondContact O-N 2.73Å; K263-V267 HydrophobicContact CD-CG2 4.03Å; K263-V267 HydrophobicContact CG-CG2 4Å | ||
| 264 | T | 93.9 | Very high | 92.5 | Very high | 131 Ų | 131 | 59.9 Ų | 59.9 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -114.7 | -2.1 | 177.8 | 54 | 0 | 0 | 0 | 0 | 113.3 | ||
| 265 | Q | 94.9 | Very high | 92.2 | Very high | 153 Ų | 153 | 61.9 Ų | 61.9 | 72% | 0.715 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -138.2 | 158.5 | 179.7 | -66.5 | -179.4 | -9.5 | 0 | 0 | 108.9 | ||
| 266 | D | 95.6 | Very high | 92.1 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | trans | -59.6 | 143.7 | 173.6 | -64 | -25.5 | 0 | 0 | 0 | 111 | I167 I168 P170 | I167-D266 HydrophobicContact CG2-CB 3.74Å; I168-D266 WeakPolarHBondContact O-CA 3.44Å; P170-D266 WeakPolarHBondContact CD-OD1 3.47Å | ||
| 267 | V | 95.5 | Very high | 92 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I168 M201 K263 E276 | I168-V267 PolarHBondContact N-O 2.86Å; I168-V267 PolarHBondContact O-N 2.66Å; M201-V267 HydrophobicContact CE-CB 3.71Å; M201-V267 HydrophobicContact CE-CG1 3.83Å; M201-V267 HydrophobicContact CE-CG2 3.75Å; M201-V267 HydrophobicContact SD-CG2 4.48Å; K263-V267 HydrophobicContact CD-CG2 4.03Å; K263-V267 HydrophobicContact CG-CG2 4Å; V267-E276 HydrophobicContact CG1-CB 4.3Å; V267-E276 HydrophobicContact CG1-CG 4.1Å |
| 268 | G | 94.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E276 | G268-E276 PolarHBondContact O-N 3.09Å |
| 269 | M | 94.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 15% | 0.148 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 138.1 | 168.2 | -61.2 | -66.2 | 107.1 | 0 | 0 | 110.9 | R163 A166 I168 I177 E276 C278 | R163-M269 VanDerWaalsContact O-CG 3.31Å; R163-M269 WeakPolarHBondContact O-CG 3.42Å; A166-M269 HydrophobicContact CB-CE 4.41Å; A166-M269 HydrophobicContact CB-CG 3.95Å; A166-M269 HydrophobicContact CB-SD 4.49Å; A166-M269 WeakPolarHBondContact O-CG 3.46Å; A166-M269 PolarHBondContact O-N 2.84Å; I168-M269 HydrophobicContact CD1-CE 3.68Å; I168-M269 HydrophobicContact CG1-CE 3.96Å; I177-M269 HydrophobicContact CD1-CE 3.64Å; I177-M269 HydrophobicContact CD1-SD 4.47Å; M269-E276 CarbonylContact C-O 3.52Å; M269-E276 VanDerWaalsContact CA-O 3.24Å; M269-E276 WeakPolarHBondContact CA-O 2.96Å; M269-E276 HydrophobicContact CE-CB 3.72Å; M269-C278 HydrophobicContact SD-CB 4.29Å |
| 270 | G | 88.3 | Confident | 91.7 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | trans | 179.3 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | D275 E276 M277 | G270-D275 VanDerWaalsContact CA-CB 3.46Å; G270-E276 PolarHBondContact N-O 2.95Å; G270-M277 WeakPolarHBondContact O-CG 3.06Å | ||
| 271 | P | 81.2 | Confident | 91.6 | Very high | 107 Ų | 107 | 62.7 Ų | 62.7 | 70% | 0.695 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.1 | -11.8 | -173.7 | 33.5 | -35.5 | 0 | 0 | 0 | 114.8 | M277 | P271-M277 HydrophobicContact CB-CE 4.39Š|
| 272 | T | 80 | Confident | 91.5 | Very high | 62 Ų | 62 | 57.3 Ų | 57.3 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -97.2 | 161.5 | -171.9 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | H199 H274 D275 | H199-T272 PolarHBondContact CE1-O 2.85Å; H199-T272 PolarHBondContact ND1-O 3.1Å; H199-T272 VanDerWaalsContact ND1-O 3.1Å; T272-H274 PolarHBondContact O-N 3.44Å; T272-H274 VanDerWaalsContact O-N 3.08Å; T272-H274 PolarHBondContact OG1-N 3.41Å; T272-D275 WeakPolarHBondContact CA-OD2 3.5Å; T272-D275 VanDerWaalsContact CB-OD2 3.28Å; T272-D275 WeakPolarHBondContact CB-OD2 3.38Å; T272-D275 WeakPolarHBondContact CG2-OD2 3.01Å; T272-D275 PolarHBondContact N-OD2 2.91Å; T272-D275 PolarHBondContact O-N 2.7Å; T272-D275 VanDerWaalsContact OG1-CG 3.29Å; T272-D275 PolarHBondContact OG1-OD2 2.84Å |
| 273 | H | 78.2 | Confident | 91.4 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.7 | 172.2 | -75.1 | -54.8 | 0 | 0 | 0 | 115 | ||
| 274 | H | 84.1 | Confident | 91.3 | Very high | 157 Ų | 157 | 50.6 Ų | 50.6 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -28.1 | 172.4 | -60.3 | 93.7 | 0 | 0 | 0 | 112.1 | T272 | T272-H274 PolarHBondContact O-N 3.44Å; T272-H274 VanDerWaalsContact O-N 3.08Å; T272-H274 PolarHBondContact OG1-N 3.41Å |
| 275 | D | 91.3 | Very high | 91.1 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -90.2 | 175.5 | 177.5 | -39.7 | -56.7 | 0 | 0 | 0 | 110.6 | H199 G270 T272 | H199-D275 PolarHBondContact ND1-O 2.97Å; G270-D275 VanDerWaalsContact CA-CB 3.46Å; T272-D275 WeakPolarHBondContact CA-OD2 3.5Å; T272-D275 VanDerWaalsContact CB-OD2 3.28Å; T272-D275 WeakPolarHBondContact CB-OD2 3.38Å; T272-D275 WeakPolarHBondContact CG2-OD2 3.01Å; T272-D275 PolarHBondContact N-OD2 2.91Å; T272-D275 PolarHBondContact O-N 2.7Å; T272-D275 VanDerWaalsContact OG1-CG 3.29Å; T272-D275 PolarHBondContact OG1-OD2 2.84Å |
| 276 | E | 94.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 168.2 | 167.7 | -85.7 | -65.2 | 159 | 0 | 0 | 112.5 | I168 H199 S200 M201 Y258 V267 G268 M269 G270 | I168-E276 HydrophobicContact CD1-CB 3.81Å; I168-E276 HydrophobicContact CD1-CG 3.78Å; H199-E276 VanDerWaalsContact CA-OE2 3.31Å; H199-E276 WeakPolarHBondContact CA-OE2 3.36Å; H199-E276 WeakPolarHBondContact CB-OE1 3.18Å; H199-E276 WeakPolarHBondContact CB-OE2 3.38Å; H199-E276 PolarHBondContact N-OE2 3.42Å; S200-E276 PolarHBondContact N-OE1 2.8Å; S200-E276 VanDerWaalsContact N-OE1 3.15Å; M201-E276 WeakPolarHBondContact CA-OE1 3.37Å; M201-E276 HydrophobicContact CB-CG 4.25Å; M201-E276 VanDerWaalsContact CB-OE1 3.25Å; M201-E276 WeakPolarHBondContact CB-OE1 3.37Å; M201-E276 HydrophobicContact CE-CG 3.47Å; M201-E276 VanDerWaalsContact CE-CG 3.47Å; M201-E276 WeakPolarHBondContact CG-OE1 3.47Å; M201-E276 PolarHBondContact N-OE1 3.13Å; Y258-E276 HydrophobicContact CD1-CG 4.1Å; Y258-E276 HydrophobicContact CE1-CB 4.09Å; Y258-E276 HydrophobicContact CE1-CG 4.04Å; Y258-E276 WeakPolarHBondContact CE1-OE2 3.43Å; V267-E276 HydrophobicContact CG1-CB 4.3Å; V267-E276 HydrophobicContact CG1-CG 4.1Å; G268-E276 PolarHBondContact O-N 3.09Å; M269-E276 CarbonylContact C-O 3.52Å; M269-E276 VanDerWaalsContact CA-O 3.24Å; M269-E276 WeakPolarHBondContact CA-O 2.96Å; M269-E276 HydrophobicContact CE-CB 3.72Å; G270-E276 PolarHBondContact N-O 2.95Å |
| 277 | M | 94.7 | Very high | 90.1 | Very high | 39 Ų | 39 | 33 Ų | 33 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | trans | -129.3 | 145 | 168.3 | -69 | -167.5 | -171.8 | 0 | 0 | 110.4 | H197 A198 Y258 G270 P271 N279 | H197-M277 VanDerWaalsContact CD2-SD 3.51Å; A198-M277 VanDerWaalsContact CA-O 3.25Å; A198-M277 WeakPolarHBondContact CA-O 3.1Å; A198-M277 WeakPolarHBondContact CB-O 3.18Å; Y258-M277 PolarHBondContact OH-O 2.88Å; G270-M277 WeakPolarHBondContact O-CG 3.06Å; P271-M277 HydrophobicContact CB-CE 4.39Å; M277-N279 PolarHBondContact SD-ND2 3.31Å; M277-N279 VanDerWaalsContact SD-ND2 3.43Å | ||
| 278 | C | 96.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 91.7 | 163.3 | 176.8 | 0 | 0 | 0 | 0 | 107.7 | L162 R163 I177 C256 Y258 M269 | L162-C278 WeakPolarHBondContact CA-O 3.36Å; L162-C278 WeakPolarHBondContact CB-O 3.31Å; R163-C278 HydrophobicContact CB-CB 4.34Å; R163-C278 PolarHBondContact N-O 3.08Å; I177-C278 HydrophobicContact CG2-CB 4.25Å; C256-C278 HydrophobicContact CB-CB 3.77Å; C256-C278 WeakPolarHBondContact CB-SG 3.44Å; C256-C278 WeakPolarHBondContact SG-CA 3.29Å; C256-C278 WeakPolarHBondContact SG-CB 3.49Å; C256-C278 CovalentContact SG-SG 2.04Å; C256-C278 PolarHBondContact SG-SG 3.44Å; Y258-C278 VanDerWaalsContact OH-CA 3.22Å; Y258-C278 WeakPolarHBondContact OH-CA 3.27Å; Y258-C278 WeakPolarHBondContact OH-CB 3.35Å; Y258-C278 PolarHBondContact OH-N 3.41Å; M269-C278 HydrophobicContact SD-CB 4.29Å |
| 279 | N | 94.8 | Very high | 88.2 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.2 | 179.9 | -64.9 | -5.1 | 0 | 0 | 0 | 110.7 | L160 L161 L162 G196 H197 M277 Y281 | L160-N279 HydrophobicContact CD1-CB 4.09Å; L161-N279 WeakPolarHBondContact O-CA 3.12Å; L162-N279 WeakPolarHBondContact CB-OD1 3.48Å; G196-N279 CarbonylContact C-O 3.59Å; G196-N279 WeakPolarHBondContact CA-O 3.4Å; H197-N279 HydrophobicContact CB-CB 4.22Å; H197-N279 PolarHBondContact N-O 3.02Å; H197-N279 PolarHBondContact O-N 3.48Å; M277-N279 PolarHBondContact SD-ND2 3.31Å; M277-N279 VanDerWaalsContact SD-ND2 3.43Å; N279-Y281 HydrophobicContact CB-CE2 3.78Å; N279-Y281 PolarHBondContact ND2-OH 2.81Å |
| 280 | M | 95.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 106.3 | 171 | -170.1 | 178.7 | 81.1 | 0 | 0 | 109.5 | L161 I194 I205 G207 A254 I282 | L161-M280 HydrophobicContact CB-CB 4.38Å; L161-M280 HydrophobicContact CD1-CE 4.07Å; L161-M280 HydrophobicContact CD2-CE 4.26Å; L161-M280 PolarHBondContact N-O 2.85Å; L161-M280 PolarHBondContact O-N 2.83Å; I194-M280 HydrophobicContact CG2-CG 3.57Å; I194-M280 HydrophobicContact CG2-SD 4.18Å; I205-M280 HydrophobicContact CG2-CB 4.01Å; I205-M280 HydrophobicContact CG2-CG 4.16Å; I205-M280 HydrophobicContact CG2-SD 4.29Å; G207-M280 WeakPolarHBondContact CA-SD 3.44Å; A254-M280 HydrophobicContact CB-CB 4.2Å; A254-M280 HydrophobicContact CB-CE 3.64Å; A254-M280 HydrophobicContact CB-SD 3.79Å; M280-I282 HydrophobicContact CE-CD1 3.86Å; M280-I282 HydrophobicContact CE-CG1 3.98Å |
| 281 | Y | 94.2 | Very high | 86.1 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.8 | 174.9 | -54.8 | -94.4 | 0 | 0 | 0 | 109 | I96 V158 L160 I194 R195 H197 F231 N279 | I96-Y281 HydrophobicContact CB-CE1 4.49Å; I96-Y281 HydrophobicContact CD1-CE1 3.73Å; V158-Y281 HydrophobicContact CG1-CD1 4.11Å; L160-Y281 HydrophobicContact CB-CD1 4.27Å; L160-Y281 HydrophobicContact CB-CE1 4.42Å; L160-Y281 HydrophobicContact CD1-CD1 3.74Å; L160-Y281 HydrophobicContact CD1-CD2 4.37Å; L160-Y281 HydrophobicContact CD1-CE1 3.57Å; L160-Y281 HydrophobicContact CD1-CE2 4.23Å; L160-Y281 HydrophobicContact CD1-CG 4.12Å; L160-Y281 HydrophobicContact CD2-CD1 4.46Å; L160-Y281 HydrophobicContact CD2-CE1 3.81Å; L160-Y281 HydrophobicContact CG-CD1 4.37Å; L160-Y281 HydrophobicContact CG-CE1 4.13Å; I194-Y281 CarbonylContact C-O 3.52Å; I194-Y281 WeakPolarHBondContact CA-O 3.25Å; R195-Y281 HydrophobicContact CB-CD2 4.33Å; R195-Y281 HydrophobicContact CG-CD2 4.18Å; R195-Y281 PolarHBondContact N-O 3.34Å; R195-Y281 WeakPolarHBondContact O-CD2 3.44Å; R195-Y281 PolarHBondContact O-N 2.77Å; H197-Y281 HydrophobicContact CB-CE2 4.26Å; F231-Y281 HydrophobicContact CZ-CG 4.37Å; N279-Y281 HydrophobicContact CB-CE2 3.78Å; N279-Y281 PolarHBondContact ND2-OH 2.81Å |
| 282 | I | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118.1 | 173.9 | -65.3 | -177.8 | 0 | 0 | 0 | 107.8 | V158 F159 L161 I191 I252 M280 | V158-I282 CarbonylContact C-O 3.59Å; V158-I282 VanDerWaalsContact CA-O 3.29Å; V158-I282 WeakPolarHBondContact CA-O 3.1Å; F159-I282 HydrophobicContact CB-CB 4.41Å; F159-I282 PolarHBondContact N-O 2.84Å; F159-I282 PolarHBondContact O-N 2.98Å; L161-I282 HydrophobicContact CD1-CD1 3.42Å; L161-I282 VanDerWaalsContact CD1-CD1 3.42Å; L161-I282 HydrophobicContact CD1-CG1 4.02Å; I191-I282 HydrophobicContact CB-CG2 4.13Å; I191-I282 HydrophobicContact CD1-CD1 4.12Å; I191-I282 HydrophobicContact CD1-CG2 3.64Å; I191-I282 HydrophobicContact CG1-CG2 3.52Å; I191-I282 HydrophobicContact CG2-CG2 3.67Å; I252-I282 HydrophobicContact CG2-CD1 3.49Å; I252-I282 VanDerWaalsContact CG2-CD1 3.49Å; M280-I282 HydrophobicContact CE-CD1 3.86Å; M280-I282 HydrophobicContact CE-CG1 3.98Å |
| 283 | M | 91.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.7 | 169.8 | -174 | 179.6 | -78.8 | 0 | 0 | 109.1 | L107 F109 G157 V158 M192 A193 F231 | L107-M283 HydrophobicContact CD1-CE 4.12Å; L107-M283 HydrophobicContact CD1-SD 3.86Å; L107-M283 HydrophobicContact CD2-CE 3.58Å; L107-M283 HydrophobicContact CD2-SD 4.09Å; F109-M283 HydrophobicContact CE1-CG 4.48Å; F109-M283 HydrophobicContact CE1-SD 3.74Å; F109-M283 HydrophobicContact CZ-SD 4.41Å; G157-M283 WeakPolarHBondContact O-CA 3.27Å; V158-M283 HydrophobicContact CG2-CE 4.43Å; M192-M283 HydrophobicContact CE-CG 3.64Å; M192-M283 HydrophobicContact CE-SD 3.98Å; M192-M283 HydrophobicContact CG-CG 4.48Å; M192-M283 PolarHBondContact N-O 2.84Å; A193-M283 HydrophobicContact CB-CB 4.16Å; A193-M283 HydrophobicContact CB-SD 4.46Å; A193-M283 PolarHBondContact N-O 3.33Å; A193-M283 PolarHBondContact O-N 2.74Å; F231-M283 HydrophobicContact CB-CE 4Å; F231-M283 HydrophobicContact CB-SD 4.42Å; F231-M283 HydrophobicContact CD1-CB 3.66Å; F231-M283 HydrophobicContact CD1-CE 3.79Å; F231-M283 HydrophobicContact CD1-SD 4.47Å; F231-M283 HydrophobicContact CD2-CE 3.51Å; F231-M283 HydrophobicContact CE1-CB 3.85Å; F231-M283 HydrophobicContact CE1-CE 4.08Å; F231-M283 HydrophobicContact CE2-CE 3.82Å; F231-M283 HydrophobicContact CG-CB 4.45Å; F231-M283 HydrophobicContact CG-CE 3.48Å; F231-M283 VanDerWaalsContact CG-CE 3.48Å; F231-M283 HydrophobicContact CG-SD 4.36Å; F231-M283 HydrophobicContact CZ-CE 4.08Å |
| 284 | Y | 91.1 | Very high | 82.4 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166.6 | -176.2 | 67.4 | -96.4 | 0 | 0 | 0 | 111.5 | A156 G157 F159 I189 T190 F292 | A156-Y284 WeakPolarHBondContact CA-O 3.33Å; G157-Y284 VanDerWaalsContact C-CE1 3.49Å; G157-Y284 PolarHBondContact N-O 2.9Å; G157-Y284 PolarHBondContact O-N 3.13Å; F159-Y284 HydrophobicContact CB-CD1 4.16Å; F159-Y284 HydrophobicContact CB-CE1 3.94Å; I189-Y284 HydrophobicContact CB-CD2 3.92Å; I189-Y284 HydrophobicContact CB-CG 4.25Å; I189-Y284 HydrophobicContact CD1-CD1 3.99Å; I189-Y284 HydrophobicContact CD1-CD2 4.18Å; I189-Y284 HydrophobicContact CD1-CG 3.76Å; I189-Y284 HydrophobicContact CG2-CD2 4Å; I189-Y284 HydrophobicContact CG2-CE2 4.21Å; T190-Y284 CarbonylContact O-C 3.55Å; T190-Y284 WeakPolarHBondContact O-CA 3.45Å; T190-Y284 WeakPolarHBondContact O-CB 3.47Å; Y284-F292 HydrophobicContact CE2-CE1 4.24Å; Y284-F292 HydrophobicContact CE2-CE2 4.22Å; Y284-F292 AromaticContact CE2-CZ 3.49Å; Y284-F292 HydrophobicContact CE2-CZ 3.49Å; Y284-F292 VanDerWaalsContact CE2-CZ 3.49Å; Y284-F292 AromaticContact CZ-CZ 3.57Å; Y284-F292 WeakPolarHBondContact OH-CE2 3.28Å; Y284-F292 WeakPolarHBondContact OH-CZ 3.47Å |
| 285 | H | 88.6 | Confident | 80.8 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.6 | 164 | 68.4 | 64.1 | 0 | 0 | 0 | 111.8 | V113 R154 I155 T190 M192 | V113-H285 HydrophobicContact CG1-CB 3.76Å; V113-H285 HydrophobicContact CG2-CB 4.07Å; R154-H285 HydrophobicContact CB-CB 4.21Å; R154-H285 PolarHBondContact NE-ND1 3.28Å; R154-H285 VanDerWaalsContact NE-ND1 3.15Å; I155-H285 CarbonylContact O-C 2.98Å; I155-H285 WeakPolarHBondContact O-CA 3.18Å; T190-H285 WeakPolarHBondContact CB-CE1 3.36Å; T190-H285 PolarHBondContact N-O 2.77Å; T190-H285 PolarHBondContact O-N 3.27Å; T190-H285 PolarHBondContact OG1-CE1 3.24Å; T190-H285 VanDerWaalsContact OG1-CE1 3.24Å; M192-H285 HydrophobicContact CE-CB 4.36Å |
| 286 | S | 87.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 175.3 | 179.7 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | R154 I155 N290 | R154-S286 CarbonylContact C-O 3.56Å; R154-S286 WeakPolarHBondContact CA-O 3.34Å; I155-S286 PolarHBondContact N-O 2.92Å; I155-S286 PolarHBondContact O-N 2.73Å; S286-N290 WeakPolarHBondContact CB-ND2 3.35Å; S286-N290 PolarHBondContact OG-ND2 2.77Å |
| 287 | S | 82.2 | Confident | 78.2 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | trans | -56.2 | 142.8 | 167.9 | 177.5 | 0 | 0 | 0 | 0 | 111 | L289 N290 | S287-L289 PolarHBondContact O-N 3.09Å; S287-L289 PolarHBondContact OG-N 2.76Å; S287-N290 VanDerWaalsContact O-CB 3.25Å; S287-N290 WeakPolarHBondContact O-CB 3.42Å; S287-N290 PolarHBondContact O-N 3.36Å | ||
| 288 | P | 78.7 | Confident | 77.8 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.2 | 169.1 | -21.7 | 31.1 | 0 | 0 | 0 | 114.2 | P153 I155 N290 | P153-P288 VanDerWaalsContact O-CD 3.25Å; P153-P288 WeakPolarHBondContact O-CD 3.17Å; I155-P288 HydrophobicContact CG2-CB 4.11Å; I155-P288 HydrophobicContact CG2-CG 4.15Å; P288-N290 VanDerWaalsContact C-N 3.35Å |
| 289 | L | 72.2 | Confident | 77.5 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.1 | 175.8 | -58.7 | -177.6 | 0 | 0 | 0 | 113.5 | I187 S287 S291 M672 V684 L686 | I187-L289 HydrophobicContact CD1-CB 3.96Å; S287-L289 PolarHBondContact O-N 3.09Å; S287-L289 PolarHBondContact OG-N 2.76Å; L289-S291 PolarHBondContact O-N 3.38Å; L289-M672 HydrophobicContact CD1-SD 4.11Å; L289-V684 HydrophobicContact CD2-CG1 4.45Å; L289-L686 HydrophobicContact CD1-CD1 3.68Å; L289-L686 HydrophobicContact CD1-CD2 4.07Å; L289-L686 HydrophobicContact CD1-CG 3.89Å; L289-L686 HydrophobicContact CD2-CD2 4.34Å; L289-L686 HydrophobicContact CG-CD1 4.16Å; L289-L686 HydrophobicContact CG-CD2 4.09Å; L289-L686 HydrophobicContact CG-CG 4.42Å |
| 290 | N | 74.4 | Confident | 77.2 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 127.4 | -176.4 | -164.1 | 13.8 | 0 | 0 | 0 | 110.9 | T186 I187 I189 S286 S287 P288 F292 | T186-N290 PolarHBondContact N-OD1 2.93Å; T186-N290 VanDerWaalsContact N-OD1 3.15Å; T186-N290 PolarHBondContact OG1-OD1 2.79Å; I187-N290 HydrophobicContact CB-CB 4.14Å; I187-N290 HydrophobicContact CD1-CB 4.47Å; I187-N290 PolarHBondContact N-OD1 3.15Å; I187-N290 VanDerWaalsContact O-CG 3.29Å; I187-N290 PolarHBondContact O-ND2 3.04Å; I187-N290 PolarHBondContact O-OD1 2.86Å; I189-N290 WeakPolarHBondContact CG2-ND2 3.36Å; S286-N290 WeakPolarHBondContact CB-ND2 3.35Å; S286-N290 PolarHBondContact OG-ND2 2.77Å; S287-N290 VanDerWaalsContact O-CB 3.25Å; S287-N290 WeakPolarHBondContact O-CB 3.42Å; S287-N290 PolarHBondContact O-N 3.36Å; P288-N290 VanDerWaalsContact C-N 3.35Å; N290-F292 WeakPolarHBondContact ND2-CZ 3.47Å |
| 291 | S | 63.9 | Low | 76.9 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 133.7 | 170.2 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | S185 T186 L289 | S185-S291 CarbonylContact C-O 3.54Å; T186-S291 PolarHBondContact N-O 3.46Å; T186-S291 VanDerWaalsContact N-O 3.08Å; T186-S291 PolarHBondContact OG1-N 3.4Å; L289-S291 PolarHBondContact O-N 3.38Å |
| 292 | F | 64 | Low | 76.8 | Confident | 45 Ų | 45 | 52 Ų | 52 | 20% | 0.197 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 146.8 | 168.9 | -64 | -79.1 | 0 | 0 | 0 | 109.3 | I189 Y284 N290 | I189-F292 HydrophobicContact CG2-CE1 3.87Å; I189-F292 HydrophobicContact CG2-CZ 3.96Å; Y284-F292 HydrophobicContact CE2-CE1 4.24Å; Y284-F292 HydrophobicContact CE2-CE2 4.22Å; Y284-F292 AromaticContact CE2-CZ 3.49Å; Y284-F292 HydrophobicContact CE2-CZ 3.49Å; Y284-F292 VanDerWaalsContact CE2-CZ 3.49Å; Y284-F292 AromaticContact CZ-CZ 3.57Å; Y284-F292 WeakPolarHBondContact OH-CE2 3.28Å; Y284-F292 WeakPolarHBondContact OH-CZ 3.47Å; N290-F292 WeakPolarHBondContact ND2-CZ 3.47Å |
| 293 | G | 54.4 | Low | 76.7 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | trans | -71.1 | 179.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S184 Q295 | S184-G293 PolarHBondContact O-N 2.94Å; G293-Q295 CarbonylContact O-C 3.5Å; G293-Q295 PolarHBondContact O-N 3.39Å | ||
| 294 | E | 43.8 | Very low | 76.8 | Confident | 205 Ų | 205 | 59.1 Ų | 59.1 | 96% | 0.958 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -56.5 | -20.4 | -177.3 | -63.7 | -174.2 | 152.5 | 0 | 0 | 114.8 | E296 | E294-E296 PolarHBondContact O-N 3.18Š|
| 295 | Q | 49.9 | Very low | 76.7 | Confident | 114 Ų | 114 | 59.6 Ų | 59.6 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.7 | 73.5 | 168.2 | -65.5 | -170.3 | -2.4 | 0 | 0 | 110.2 | G293 G297 | G293-Q295 CarbonylContact O-C 3.5Å; G293-Q295 PolarHBondContact O-N 3.39Å; Q295-G297 PolarHBondContact O-N 2.75Å |
| 296 | E | 59.1 | Low | 76.8 | Confident | 177 Ų | 177 | 63.7 Ų | 63.7 | 83% | 0.827 | 36% | 0.361 | S | S | * | . | trans | -60.6 | 96.5 | 179.3 | -75 | -165.7 | 156.6 | 0 | 0 | 112 | E294 M298 | E294-E296 PolarHBondContact O-N 3.18Å; E296-M298 VanDerWaalsContact C-N 3.29Å; E296-M298 PolarHBondContact O-N 2.71Å; E296-M298 VanDerWaalsContact O-N 3.11Å | ||
| 297 | G | 72.1 | Confident | 77 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 70.5 | 9.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | F159 L160 Q295 | F159-G297 CarbonylContact C-O 3.59Å; F159-G297 WeakPolarHBondContact CA-O 3.24Å; L160-G297 PolarHBondContact N-O 2.91Å; Q295-G297 PolarHBondContact O-N 2.75Å |
| 298 | M | 85.7 | Confident | 77.4 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.4 | -176.1 | -171.4 | 175.6 | 66.4 | 0 | 0 | 113.8 | L160 L162 E296 | L160-M298 HydrophobicContact CB-CG 4.41Å; L160-M298 HydrophobicContact CD2-CG 4.43Å; L160-M298 HydrophobicContact CD2-SD 4.37Å; L160-M298 HydrophobicContact CG-CG 4.34Å; L160-M298 CarbonylContact O-C 3.6Å; L160-M298 VanDerWaalsContact O-CA 3.31Å; L160-M298 WeakPolarHBondContact O-CA 3.2Å; L162-M298 HydrophobicContact CD2-CG 4.16Å; L162-M298 HydrophobicContact CD2-SD 3.57Å; L162-M298 VanDerWaalsContact CD2-SD 3.57Å; L162-M298 HydrophobicContact CG-SD 4.4Å; E296-M298 VanDerWaalsContact C-N 3.29Å; E296-M298 PolarHBondContact O-N 2.71Å; E296-M298 VanDerWaalsContact O-N 3.11Å |
| 299 | C | 90 | Very high | 77.9 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 118.2 | 179.7 | 157.7 | 0 | 0 | 0 | 0 | 108.7 | F159 L160 L161 L162 V179 C181 | F159-C299 HydrophobicContact CE1-CB 3.67Å; F159-C299 HydrophobicContact CZ-CB 3.92Å; L160-C299 PolarHBondContact O-N 2.99Å; L161-C299 CarbonylContact C-O 3.46Å; L161-C299 WeakPolarHBondContact CA-O 3.37Å; L161-C299 HydrophobicContact CG-CB 4.15Å; L162-C299 PolarHBondContact N-O 2.83Å; V179-C299 WeakPolarHBondContact CG1-SG 3.4Å; C181-C299 HydrophobicContact CB-CB 3.84Å; C181-C299 WeakPolarHBondContact CB-SG 3.43Å; C181-C299 WeakPolarHBondContact SG-CB 3.49Å; C181-C299 CovalentContact SG-SG 2.01Å; C181-C299 PolarHBondContact SG-SG 3.34Å |
| 300 | S | 89.9 | Confident | 78.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 43% | 0.427 | 37% | 0.372 | S | S | . | . | trans | -116.8 | 2 | -164.8 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | L162 | L162-S300 CarbonylContact O-C 3.44Å; L162-S300 WeakPolarHBondContact O-CA 3.4Å | ||
| 301 | S | 89.5 | Confident | 79.2 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -144.3 | 168 | -171.2 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | V179 S180 I303 | V179-S301 WeakPolarHBondContact CG1-O 3.18Å; S180-S301 PolarHBondContact N-O 3.21Å; S180-S301 VanDerWaalsContact N-O 3.11Å; S180-S301 VanDerWaalsContact O-O 3.13Å; S301-I303 WeakPolarHBondContact OG-CG1 3.43Å |
| 302 | D | 92.5 | Very high | 80.2 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -101.6 | 73.2 | 176.5 | -172.7 | 45.9 | 0 | 0 | 0 | 110.4 | S180 Y304 G305 W308 | S180-D302 VanDerWaalsContact CB-OD1 3.26Å; S180-D302 WeakPolarHBondContact CB-OD1 3.22Å; S180-D302 PolarHBondContact N-OD1 3.25Å; S180-D302 PolarHBondContact OG-OD1 2.96Å; D302-Y304 PolarHBondContact O-N 2.83Å; D302-G305 WeakPolarHBondContact OD2-CA 3Å; D302-W308 PolarHBondContact OD1-NE1 3.24Å |
| 303 | I | 91.1 | Very high | 81.5 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -33.4 | -174.3 | -58.2 | 176.1 | 0 | 0 | 0 | 111.1 | S180 C181 S301 | S180-I303 WeakPolarHBondContact O-CB 3.37Å; S180-I303 PolarHBondContact O-N 2.88Å; C181-I303 HydrophobicContact CB-CD1 4.37Å; S301-I303 WeakPolarHBondContact OG-CG1 3.43Å |
| 304 | Y | 92.2 | Very high | 83.3 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 35.4 | -173.5 | -59.3 | -78.2 | 0 | 0 | 0 | 112.4 | S180 R182 I251 D302 S306 K307 | S180-Y304 WeakPolarHBondContact OG-CA 3.41Å; S180-Y304 WeakPolarHBondContact OG-CB 3.39Å; S180-Y304 PolarHBondContact OG-N 3.15Å; R182-Y304 WeakPolarHBondContact CD-OH 3.1Å; R182-Y304 HydrophobicContact CG-CE2 3.95Å; I251-Y304 HydrophobicContact CD1-CD1 3.62Å; I251-Y304 HydrophobicContact CD1-CD2 4.04Å; I251-Y304 HydrophobicContact CD1-CE1 4.01Å; I251-Y304 HydrophobicContact CD1-CE2 4.4Å; I251-Y304 HydrophobicContact CD1-CG 3.63Å; I251-Y304 HydrophobicContact CG1-CD1 4.45Å; I251-Y304 HydrophobicContact CG1-CD2 4.1Å; I251-Y304 HydrophobicContact CG1-CE2 4.22Å; I251-Y304 HydrophobicContact CG1-CG 4.21Å; I251-Y304 HydrophobicContact CG2-CD2 3.62Å; I251-Y304 HydrophobicContact CG2-CE2 4.34Å; I251-Y304 HydrophobicContact CG2-CG 3.98Å; D302-Y304 PolarHBondContact O-N 2.83Å; Y304-S306 PolarHBondContact O-N 3.3Å; Y304-K307 VanDerWaalsContact O-CB 3.23Å; Y304-K307 WeakPolarHBondContact O-CB 3.49Å; Y304-K307 PolarHBondContact O-N 3.32Å |
| 305 | G | 89.7 | Confident | 85.7 | Confident | 29 Ų | 29 | 63 Ų | 63 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -53.9 | -28.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D302 K307 W308 | D302-G305 WeakPolarHBondContact OD2-CA 3Å; G305-K307 PolarHBondContact O-N 3.48Å; G305-W308 VanDerWaalsContact O-CD1 3.28Å; G305-W308 PolarHBondContact O-N 2.85Å |
| 306 | S | 90.7 | Very high | 87.8 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.2 | -19 | 173.7 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | Y304 | Y304-S306 PolarHBondContact O-N 3.3Š|
| 307 | K | 91.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 22% | 0.222 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -81.1 | -12.4 | 179.1 | -60.6 | -67.6 | -172.6 | 164.4 | 0 | 113.4 | L210 G213 I251 M253 Y304 G305 K309 F310 | L210-K307 HydrophobicContact CD2-CB 3.83Å; L210-K307 HydrophobicContact CD2-CD 3.93Å; L210-K307 HydrophobicContact CD2-CG 4.06Å; G213-K307 WeakPolarHBondContact O-CE 3.33Å; G213-K307 PolarHBondContact O-NZ 3.43Å; I251-K307 HydrophobicContact CD1-CG 4.16Å; M253-K307 HydrophobicContact CE-CB 4.11Å; M253-K307 HydrophobicContact SD-CB 4.44Å; Y304-K307 VanDerWaalsContact O-CB 3.23Å; Y304-K307 WeakPolarHBondContact O-CB 3.49Å; Y304-K307 PolarHBondContact O-N 3.32Å; G305-K307 PolarHBondContact O-N 3.48Å; K307-K309 PolarHBondContact O-N 2.94Å; K307-F310 HydrophobicContact CB-CD2 4.33Å; K307-F310 HydrophobicContact CD-CD2 4.16Å; K307-F310 HydrophobicContact CD-CE2 3.73Å; K307-F310 VanDerWaalsContact O-CD2 3.3Å; K307-F310 WeakPolarHBondContact O-CD2 3.33Å; K307-F310 PolarHBondContact O-N 3.35Å |
| 308 | W | 90.7 | Very high | 90.5 | Very high | 23 Ų | 23 | 56 Ų | 56 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -59.2 | -16.1 | 172.5 | -72.5 | 107.4 | 0 | 0 | 0 | 113.2 | D178 Y208 M253 A254 R255 D302 G305 F310 I311 | D178-W308 HydrophobicContact CB-CD2 4.42Å; D178-W308 HydrophobicContact CB-CH2 4.37Å; D178-W308 HydrophobicContact CB-CZ2 3.51Å; Y208-W308 HydrophobicContact CD2-CH2 4.44Å; Y208-W308 HydrophobicContact CD2-CZ3 4.09Å; Y208-W308 HydrophobicContact CE2-CZ3 4.21Å; M253-W308 HydrophobicContact CB-CH2 3.83Å; M253-W308 HydrophobicContact CB-CZ2 3.88Å; M253-W308 HydrophobicContact CE-CD2 3.49Å; M253-W308 VanDerWaalsContact CE-CD2 3.49Å; M253-W308 VanDerWaalsContact CE-CE2 3.43Å; M253-W308 HydrophobicContact CE-CE3 4Å; M253-W308 HydrophobicContact CE-CG 3.79Å; M253-W308 HydrophobicContact CE-CH2 4.34Å; M253-W308 HydrophobicContact CE-CZ2 3.88Å; M253-W308 HydrophobicContact CE-CZ3 4.4Å; A254-W308 WeakPolarHBondContact O-CH2 3.27Å; A254-W308 WeakPolarHBondContact O-CZ2 3.45Å; R255-W308 HydrophobicContact CB-CH2 3.77Å; R255-W308 HydrophobicContact CB-CZ3 3.96Å; R255-W308 VanDerWaalsContact NH2-CE3 3.27Å; D302-W308 PolarHBondContact OD1-NE1 3.24Å; G305-W308 VanDerWaalsContact O-CD1 3.28Å; G305-W308 PolarHBondContact O-N 2.85Å; W308-F310 PolarHBondContact O-N 3.44Å; W308-F310 VanDerWaalsContact O-N 3.17Å; W308-I311 HydrophobicContact CD2-CD1 4.45Å; W308-I311 HydrophobicContact CE3-CB 4.24Å; W308-I311 HydrophobicContact CE3-CD1 3.48Å; W308-I311 VanDerWaalsContact CE3-CD1 3.48Å; W308-I311 HydrophobicContact CE3-CG1 4.43Å; W308-I311 HydrophobicContact CE3-CG2 4.48Å; W308-I311 HydrophobicContact CH2-CD1 4.4Å; W308-I311 HydrophobicContact CZ3-CD1 3.46Å; W308-I311 VanDerWaalsContact CZ3-CD1 3.46Å; W308-I311 PolarHBondContact O-N 2.9Å |
| 309 | K | 88.5 | Confident | 90.9 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -57.7 | -23.7 | 171.3 | 79.6 | 176.5 | -168.3 | 167.8 | 0 | 114.4 | K307 I311 E581 | K307-K309 PolarHBondContact O-N 2.94Å; K309-I311 VanDerWaalsContact C-N 3.3Å; K309-E581 IonicContact NZ-OE1 2.84Å; K309-E581 IonicContact NZ-OE2 2.93Å; K309-E581 PolarHBondContact NZ-OE2 2.92Å |
| 310 | F | 85.4 | Confident | 91.2 | Very high | 50 Ų | 50 | 59 Ų | 59 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -82.1 | -3.6 | 176.5 | -62.2 | -66.8 | 0 | 0 | 0 | 113.9 | L210 K307 W308 | L210-F310 HydrophobicContact CD1-CB 3.94Å; L210-F310 HydrophobicContact CD1-CD2 4.14Å; L210-F310 HydrophobicContact CD1-CG 4.18Å; L210-F310 HydrophobicContact CD2-CD2 3.98Å; L210-F310 HydrophobicContact CD2-CE2 4.48Å; K307-F310 HydrophobicContact CB-CD2 4.33Å; K307-F310 HydrophobicContact CD-CD2 4.16Å; K307-F310 HydrophobicContact CD-CE2 3.73Å; K307-F310 VanDerWaalsContact O-CD2 3.3Å; K307-F310 WeakPolarHBondContact O-CD2 3.33Å; K307-F310 PolarHBondContact O-N 3.35Å; W308-F310 PolarHBondContact O-N 3.44Å; W308-F310 VanDerWaalsContact O-N 3.17Å |
| 311 | I | 88.5 | Confident | 91.3 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | trans | -115.5 | 98.2 | -179.2 | -64.7 | 163.6 | 0 | 0 | 0 | 108.3 | Y208 A217 M253 W308 K309 E313 | Y208-I311 HydrophobicContact CD1-CD1 4.21Å; Y208-I311 HydrophobicContact CD1-CG1 4.38Å; Y208-I311 HydrophobicContact CD2-CD1 3.68Å; Y208-I311 HydrophobicContact CE1-CG2 4.1Å; Y208-I311 HydrophobicContact CE2-CD1 4.13Å; Y208-I311 HydrophobicContact CE2-CG2 3.95Å; Y208-I311 HydrophobicContact CG-CD1 3.71Å; Y208-I311 HydrophobicContact CG-CG1 4.37Å; A217-I311 HydrophobicContact CB-CD1 4.2Å; A217-I311 HydrophobicContact CB-CG1 3.59Å; M253-I311 HydrophobicContact CE-CD1 4.24Å; M253-I311 HydrophobicContact SD-CD1 4.11Å; W308-I311 HydrophobicContact CD2-CD1 4.45Å; W308-I311 HydrophobicContact CE3-CB 4.24Å; W308-I311 HydrophobicContact CE3-CD1 3.48Å; W308-I311 VanDerWaalsContact CE3-CD1 3.48Å; W308-I311 HydrophobicContact CE3-CG1 4.43Å; W308-I311 HydrophobicContact CE3-CG2 4.48Å; W308-I311 HydrophobicContact CH2-CD1 4.4Å; W308-I311 HydrophobicContact CZ3-CD1 3.46Å; W308-I311 VanDerWaalsContact CZ3-CD1 3.46Å; W308-I311 PolarHBondContact O-N 2.9Å; K309-I311 VanDerWaalsContact C-N 3.3Å; I311-E313 VanDerWaalsContact C-N 3.27Å; I311-E313 HydrophobicContact CG2-CB 4.42Å; I311-E313 PolarHBondContact O-N 2.87Å | ||
| 312 | H | 86.4 | Confident | 91.4 | Very high | 134 Ų | 134 | 57.5 Ų | 57.5 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | trans | -78 | -6.1 | -177.5 | -57.3 | -51.8 | 0 | 0 | 0 | 114.3 | S314 | H312-S314 PolarHBondContact O-N 2.84Š| ||
| 313 | E | 89.8 | Confident | 91.3 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | trans | -74.6 | 114.4 | -179.7 | -172 | 163.9 | 139 | 0 | 0 | 111.2 | I206 R222 R255 I311 E317 S318 K321 | I206-E313 WeakPolarHBondContact CD1-OE1 3.37Å; R222-E313 IonicContact CZ-OE1 3.94Å; R222-E313 IonicContact CZ-OE2 3.06Å; R222-E313 IonicContact NE-OE1 3.43Å; R222-E313 PolarHBondContact NE-OE1 3.45Å; R222-E313 IonicContact NE-OE2 3.15Å; R222-E313 IonicContact NH2-OE1 2.81Å; R222-E313 PolarHBondContact NH2-OE1 3.03Å; R222-E313 IonicContact NH2-OE2 2.64Å; R222-E313 PolarHBondContact NH2-OE2 3.09Å; R255-E313 PolarHBondContact NH1-O 3.31Å; I311-E313 VanDerWaalsContact C-N 3.27Å; I311-E313 HydrophobicContact CG2-CB 4.42Å; I311-E313 PolarHBondContact O-N 2.87Å; E313-E317 HydrophobicContact CG-CB 4.18Å; E313-S318 WeakPolarHBondContact OE1-CA 3.44Å; E313-K321 WeakPolarHBondContact OE2-CD 3.3Å; E313-K321 WeakPolarHBondContact OE2-CE 3.41Å; E313-K321 IonicContact OE2-NZ 2.75Å; E313-K321 PolarHBondContact OE2-NZ 2.81Å | ||
| 314 | S | 93.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | trans | -71 | 161.5 | 179 | 66 | 0 | 0 | 0 | 0 | 112.5 | H312 D316 E317 S318 | H312-S314 PolarHBondContact O-N 2.84Å; S314-D316 PolarHBondContact O-N 2.86Å; S314-E317 WeakPolarHBondContact CB-OE2 3.21Å; S314-E317 PolarHBondContact N-OE2 3.49Å; S314-E317 PolarHBondContact O-N 2.86Å; S314-E317 WeakPolarHBondContact OG-CB 3.29Å; S314-E317 VanDerWaalsContact OG-CD 3.23Å; S314-E317 WeakPolarHBondContact OG-CG 3.44Å; S314-E317 PolarHBondContact OG-N 3.37Å; S314-E317 PolarHBondContact OG-OE2 2.8Å; S314-S318 WeakPolarHBondContact O-CB 3.25Å; S314-S318 PolarHBondContact O-N 3.4Å; S314-S318 PolarHBondContact O-OG 2.92Å | ||
| 315 | P | 93.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.195 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.9 | -24.7 | 35.4 | 0 | 0 | 0 | 113.8 | P176 V257 S318 V319 | P176-P315 HydrophobicContact CB-CB 4.32Å; P176-P315 HydrophobicContact CB-CG 3.86Å; P176-P315 HydrophobicContact CG-CB 4.43Å; P176-P315 HydrophobicContact CG-CG 3.71Å; V257-P315 HydrophobicContact CG1-CB 3.88Å; V257-P315 HydrophobicContact CG2-CB 4.26Å; P315-S318 WeakPolarHBondContact O-CB 3.3Å; P315-S318 PolarHBondContact O-N 2.76Å; P315-V319 WeakPolarHBondContact O-CG2 3.17Å; P315-V319 PolarHBondContact O-N 3.22Å; P315-V319 VanDerWaalsContact O-N 3.09Å |
| 316 | D | 94.8 | Very high | 90 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 175.1 | -85.7 | -69 | 0 | 0 | 0 | 112.4 | K173 S174 S314 K320 | K173-D316 IonicContact NZ-OD1 3.56Å; K173-D316 PolarHBondContact NZ-OD1 2.97Å; S174-D316 VanDerWaalsContact OG-CG 3.32Å; S174-D316 PolarHBondContact OG-OD1 3.24Å; S314-D316 PolarHBondContact O-N 2.86Å; D316-K320 WeakPolarHBondContact O-CB 3.49Å; D316-K320 PolarHBondContact O-N 3.36Å |
| 317 | E | 94.4 | Very high | 89.1 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 173.9 | -72.5 | 169.5 | 131.3 | 0 | 0 | 111.8 | E313 S314 V319 K320 K321 | E313-E317 HydrophobicContact CG-CB 4.18Å; S314-E317 WeakPolarHBondContact CB-OE2 3.21Å; S314-E317 PolarHBondContact N-OE2 3.49Å; S314-E317 PolarHBondContact O-N 2.86Å; S314-E317 WeakPolarHBondContact OG-CB 3.29Å; S314-E317 VanDerWaalsContact OG-CD 3.23Å; S314-E317 WeakPolarHBondContact OG-CG 3.44Å; S314-E317 PolarHBondContact OG-N 3.37Å; S314-E317 PolarHBondContact OG-OE2 2.8Å; E317-V319 PolarHBondContact O-N 3.22Å; E317-K320 PolarHBondContact O-N 3.13Å; E317-K320 VanDerWaalsContact O-N 3.17Å; E317-K321 WeakPolarHBondContact O-CB 3.29Å; E317-K321 WeakPolarHBondContact O-CG 3.39Å; E317-K321 PolarHBondContact O-N 2.97Å |
| 318 | S | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.7 | -53.9 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | I206 E313 S314 P315 K320 K321 T322 | I206-S318 VanDerWaalsContact CD1-CB 3.49Å; E313-S318 WeakPolarHBondContact OE1-CA 3.44Å; S314-S318 WeakPolarHBondContact O-CB 3.25Å; S314-S318 PolarHBondContact O-N 3.4Å; S314-S318 PolarHBondContact O-OG 2.92Å; P315-S318 WeakPolarHBondContact O-CB 3.3Å; P315-S318 PolarHBondContact O-N 2.76Å; S318-K320 PolarHBondContact O-N 3.37Å; S318-K321 PolarHBondContact O-N 2.89Å; S318-T322 VanDerWaalsContact O-CB 3.32Å; S318-T322 WeakPolarHBondContact O-CB 3.46Å; S318-T322 PolarHBondContact O-N 2.74Å; S318-T322 PolarHBondContact O-OG1 2.78Å |
| 319 | V | 94.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | R203 V257 P315 E317 L323 | R203-V319 HydrophobicContact CB-CB 4.47Å; R203-V319 HydrophobicContact CB-CG1 3.94Å; R203-V319 HydrophobicContact CB-CG2 3.71Å; V257-V319 HydrophobicContact CB-CG2 3.86Å; V257-V319 HydrophobicContact CG1-CG2 3.55Å; P315-V319 WeakPolarHBondContact O-CG2 3.17Å; P315-V319 PolarHBondContact O-N 3.22Å; P315-V319 VanDerWaalsContact O-N 3.09Å; E317-V319 PolarHBondContact O-N 3.22Å; V319-L323 HydrophobicContact CG1-CD1 3.64Å; V319-L323 HydrophobicContact CG1-CG 4.24Å; V319-L323 VanDerWaalsContact O-CB 3.29Å; V319-L323 WeakPolarHBondContact O-CB 3.4Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 2.86Å |
| 320 | K | 94.4 | Very high | 84.6 | Confident | 142 Ų | 142 | 61.4 Ų | 61.4 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 179.9 | -175.2 | -177.6 | 175.9 | -172.6 | 0 | 112.5 | D316 E317 S318 L324 | D316-K320 WeakPolarHBondContact O-CB 3.49Å; D316-K320 PolarHBondContact O-N 3.36Å; E317-K320 PolarHBondContact O-N 3.13Å; E317-K320 VanDerWaalsContact O-N 3.17Å; S318-K320 PolarHBondContact O-N 3.37Å; K320-L324 HydrophobicContact CG-CD1 4.07Å; K320-L324 WeakPolarHBondContact O-CB 3.07Å; K320-L324 WeakPolarHBondContact O-CD1 3.19Å; K320-L324 VanDerWaalsContact O-CG 3.24Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 3.34Å |
| 321 | K | 92.8 | Very high | 82.8 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -53 | 177.9 | -70.5 | -178.1 | -166.1 | 179 | 0 | 110.2 | E313 E317 S318 L323 L324 E325 | E313-K321 WeakPolarHBondContact OE2-CD 3.3Å; E313-K321 WeakPolarHBondContact OE2-CE 3.41Å; E313-K321 IonicContact OE2-NZ 2.75Å; E313-K321 PolarHBondContact OE2-NZ 2.81Å; E317-K321 WeakPolarHBondContact O-CB 3.29Å; E317-K321 WeakPolarHBondContact O-CG 3.39Å; E317-K321 PolarHBondContact O-N 2.97Å; S318-K321 PolarHBondContact O-N 2.89Å; K321-L323 VanDerWaalsContact C-N 3.29Å; K321-L323 PolarHBondContact O-N 3.07Å; K321-L324 WeakPolarHBondContact O-CB 3.43Å; K321-L324 PolarHBondContact O-N 3.39Å; K321-E325 WeakPolarHBondContact O-CB 3.5Å; K321-E325 WeakPolarHBondContact O-CG 3.33Å; K321-E325 PolarHBondContact O-N 3.02Å |
| 322 | T | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.8 | -43 | 177 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | S204 R222 N224 S318 T326 | S204-T322 WeakPolarHBondContact OG-CB 3.43Å; S204-T322 PolarHBondContact OG-OG1 2.86Å; R222-T322 WeakPolarHBondContact CD-OG1 3.46Å; N224-T322 HydrophobicContact CB-CG2 3.84Å; S318-T322 VanDerWaalsContact O-CB 3.32Å; S318-T322 WeakPolarHBondContact O-CB 3.46Å; S318-T322 PolarHBondContact O-N 2.74Å; S318-T322 PolarHBondContact O-OG1 2.78Å; T322-T326 HydrophobicContact CG2-CG2 4.39Å; T322-T326 VanDerWaalsContact O-CB 3.28Å; T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 VanDerWaalsContact O-CG2 3.25Å; T322-T326 WeakPolarHBondContact O-CG2 3.37Å; T322-T326 PolarHBondContact O-N 3.39Å; T322-T326 PolarHBondContact O-OG1 3.25Å |
| 323 | L | 88.9 | Confident | 79 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.4 | -21.5 | 177.5 | -70.4 | 175.7 | 0 | 0 | 0 | 114.7 | V319 K321 K327 | V319-L323 HydrophobicContact CG1-CD1 3.64Å; V319-L323 HydrophobicContact CG1-CG 4.24Å; V319-L323 VanDerWaalsContact O-CB 3.29Å; V319-L323 WeakPolarHBondContact O-CB 3.4Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 2.86Å; K321-L323 VanDerWaalsContact C-N 3.29Å; K321-L323 PolarHBondContact O-N 3.07Å; L323-K327 WeakPolarHBondContact O-CD 3.2Å; L323-K327 WeakPolarHBondContact O-CE 3.47Å; L323-K327 WeakPolarHBondContact O-CG 3.41Å |
| 324 | L | 87.2 | Confident | 76.5 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -79 | -48.1 | 172.5 | -76.5 | 165.8 | 0 | 0 | 0 | 110.5 | K320 K321 K327 | K320-L324 HydrophobicContact CG-CD1 4.07Å; K320-L324 WeakPolarHBondContact O-CB 3.07Å; K320-L324 WeakPolarHBondContact O-CD1 3.19Å; K320-L324 VanDerWaalsContact O-CG 3.24Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 3.34Å; K321-L324 WeakPolarHBondContact O-CB 3.43Å; K321-L324 PolarHBondContact O-N 3.39Å; L324-K327 PolarHBondContact O-N 3.12Å |
| 325 | E | 81.5 | Confident | 73.7 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 177.1 | -76.7 | 167.9 | -158.2 | 0 | 0 | 111 | R222 H238 K321 K327 H328 | R222-E325 WeakPolarHBondContact CD-OE2 3.47Å; R222-E325 IonicContact CZ-OE1 3.35Å; R222-E325 IonicContact NH1-OE1 2.8Å; R222-E325 PolarHBondContact NH1-OE1 2.93Å; R222-E325 IonicContact NH1-OE2 3.38Å; R222-E325 PolarHBondContact NH1-OE2 2.8Å; H238-E325 VanDerWaalsContact CD2-CB 3.48Å; H238-E325 WeakPolarHBondContact CD2-CB 3.35Å; H238-E325 IonicContact CD2-OE2 3.83Å; H238-E325 PolarHBondContact CD2-OE2 2.9Å; H238-E325 IonicContact CG-OE2 3.05Å; H238-E325 WeakPolarHBondContact NE2-CB 3.32Å; K321-E325 WeakPolarHBondContact O-CB 3.5Å; K321-E325 WeakPolarHBondContact O-CG 3.33Å; K321-E325 PolarHBondContact O-N 3.02Å; E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.21Å; E325-H328 PolarHBondContact O-N 2.03Å |
| 326 | T | 78.4 | Confident | 70.7 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.7 | -11.6 | -176 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | N224 L227 T322 H328 L329 | N224-T326 HydrophobicContact CB-CG2 3.68Å; L227-T326 HydrophobicContact CD1-CG2 3.72Å; T322-T326 HydrophobicContact CG2-CG2 4.39Å; T322-T326 VanDerWaalsContact O-CB 3.28Å; T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 VanDerWaalsContact O-CG2 3.25Å; T322-T326 WeakPolarHBondContact O-CG2 3.37Å; T322-T326 PolarHBondContact O-N 3.39Å; T322-T326 PolarHBondContact O-OG1 3.25Å; T326-H328 VanDerWaalsContact C-N 3.26Å; T326-H328 PolarHBondContact O-N 2.77Å; T326-L329 HydrophobicContact CG2-CD1 3.72Å; T326-L329 WeakPolarHBondContact O-CB 3.39Å; T326-L329 PolarHBondContact O-N 3.15Å |
| 327 | K | 72 | Confident | 67.6 | Low | 148 Ų | 148 | 74.1 Ų | 74.1 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.1 | -32.4 | 170.5 | -78.3 | 166.5 | -174.4 | -179.6 | 0 | 112.9 | L323 L324 E325 | L323-K327 WeakPolarHBondContact O-CD 3.2Å; L323-K327 WeakPolarHBondContact O-CE 3.47Å; L323-K327 WeakPolarHBondContact O-CG 3.41Å; L324-K327 PolarHBondContact O-N 3.12Å; E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.21Å |
| 328 | H | 63 | Low | 64.4 | Low | 132 Ų | 132 | 73.3 Ų | 73.3 | 61% | 0.611 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -82.3 | -25.9 | -179.5 | -65.4 | -76.4 | 0 | 0 | 0 | 112.3 | E325 T326 N330 S331 S332 | E325-H328 PolarHBondContact O-N 2.03Å; T326-H328 VanDerWaalsContact C-N 3.26Å; T326-H328 PolarHBondContact O-N 2.77Å; H328-N330 PolarHBondContact O-N 3.21Å; H328-S331 WeakPolarHBondContact O-CB 3.46Å; H328-S331 PolarHBondContact O-N 2.71Å; H328-S331 PolarHBondContact O-OG 2.04Å; H328-S332 PolarHBondContact O-N 2.81Å |
| 329 | L | 59.5 | Low | 61.4 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.3 | -39.1 | -176.9 | -105.3 | 152.9 | 0 | 0 | 0 | 113.7 | L227 Q236 T326 S331 S332 L333 | L227-L329 HydrophobicContact CD1-CB 4.46Å; L227-L329 HydrophobicContact CD1-CD1 4.24Å; Q236-L329 HydrophobicContact CG-CD2 3.69Å; T326-L329 HydrophobicContact CG2-CD1 3.72Å; T326-L329 WeakPolarHBondContact O-CB 3.39Å; T326-L329 PolarHBondContact O-N 3.15Å; L329-S331 PolarHBondContact O-N 2.69Å; L329-S332 WeakPolarHBondContact CA-OG 3.49Å; L329-S332 CarbonylContact O-C 3.58Å; L329-S332 PolarHBondContact O-N 2.76Å; L329-S332 PolarHBondContact O-OG 3.27Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; L329-L333 HydrophobicContact CD2-CD1 3.86Å; L329-L333 WeakPolarHBondContact O-CD1 3.42Å; L329-L333 PolarHBondContact O-N 3.21Å |
| 330 | N | 53.1 | Low | 58.2 | Low | 99 Ų | 99 | 79.3 Ų | 79.3 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65 | -27.5 | 176.2 | -74.6 | -10.4 | 0 | 0 | 0 | 113.3 | H328 | H328-N330 PolarHBondContact O-N 3.21Å |
| 331 | S | 47.5 | Very low | 55.4 | Low | 69 Ų | 69 | 74.2 Ų | 74.2 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -81.8 | -28.3 | 172.3 | 79 | 0 | 0 | 0 | 0 | 112.5 | H328 L329 | H328-S331 WeakPolarHBondContact O-CB 3.46Å; H328-S331 PolarHBondContact O-N 2.71Å; H328-S331 PolarHBondContact O-OG 2.04Å; L329-S331 PolarHBondContact O-N 2.69Å |
| 332 | S | 47.9 | Very low | 52.6 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.7 | -45.4 | 175.6 | 83.6 | 0 | 0 | 0 | 0 | 110.6 | H328 L329 Q334 K335 S336 | H328-S332 PolarHBondContact O-N 2.81Å; L329-S332 WeakPolarHBondContact CA-OG 3.49Å; L329-S332 CarbonylContact O-C 3.58Å; L329-S332 PolarHBondContact O-N 2.76Å; L329-S332 PolarHBondContact O-OG 3.27Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; S332-Q334 PolarHBondContact O-N 2.86Å; S332-K335 CarbonylContact O-C 3.43Å; S332-K335 PolarHBondContact O-N 2.87Å; S332-S336 VanDerWaalsContact C-CB 3.43Å; S332-S336 VanDerWaalsContact O-CA 3.29Å; S332-S336 WeakPolarHBondContact O-CA 3.25Å; S332-S336 WeakPolarHBondContact O-CB 3.39Å; S332-S336 PolarHBondContact O-N 3.22Å |
| 333 | L | 46.7 | Very low | 49.6 | Very low | 52 Ų | 52 | 73.5 Ų | 73.5 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -24.6 | 179 | -93.5 | 127.9 | 0 | 0 | 0 | 114.9 | P105 Y232 L329 | P105-L333 HydrophobicContact CG-CD2 4.11Å; Y232-L333 HydrophobicContact CE1-CD1 4.3Å; Y232-L333 HydrophobicContact CE1-CD2 4.44Å; L329-L333 HydrophobicContact CD2-CD1 3.86Å; L329-L333 WeakPolarHBondContact O-CD1 3.42Å; L329-L333 PolarHBondContact O-N 3.21Å |
| 334 | Q | 38.4 | Very low | 46.7 | Very low | 177 Ų | 177 | 71.7 Ų | 71.7 | 83% | 0.827 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.4 | 173.5 | -65.1 | -174.5 | -20.6 | 0 | 0 | 115.6 | S332 | S332-Q334 PolarHBondContact O-N 2.86Š|
| 335 | K | 32.5 | Very low | 43.9 | Very low | 180 Ų | 180 | 73.8 Ų | 73.8 | 78% | 0.783 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -14.1 | -177.9 | -67.1 | -176.4 | 177.6 | -179.2 | 0 | 114.2 | S332 T337 | S332-K335 CarbonylContact O-C 3.43Å; S332-K335 PolarHBondContact O-N 2.87Å; K335-T337 PolarHBondContact O-N 2.59Å |
| 336 | S | 31.7 | Very low | 41.5 | Very low | 44 Ų | 44 | 75.8 Ų | 75.8 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | trans | -87.1 | 63.8 | -170.3 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | S332 S338 | S332-S336 VanDerWaalsContact C-CB 3.43Å; S332-S336 VanDerWaalsContact O-CA 3.29Å; S332-S336 WeakPolarHBondContact O-CA 3.25Å; S332-S336 WeakPolarHBondContact O-CB 3.39Å; S332-S336 PolarHBondContact O-N 3.22Å; S336-S338 PolarHBondContact O-N 3.04Å; S336-S338 PolarHBondContact OG-OG 2.71Å | ||
| 337 | T | 29.2 | Very low | 39.2 | Very low | 83 Ų | 83 | 75.6 Ų | 75.6 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | trans | -61.2 | 76.4 | 140.3 | 55.7 | 0 | 0 | 0 | 0 | 106.9 | K335 R339 N346 | K335-T337 PolarHBondContact O-N 2.59Å; T337-R339 WeakPolarHBondContact O-CG 3.29Å; T337-R339 PolarHBondContact O-N 2.75Å; T337-N346 PolarHBondContact OG1-OD1 3.5Å | ||
| 338 | S | 28.1 | Very low | 37.3 | Very low | 73 Ų | 73 | 69 Ų | 69 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | trans | -70.1 | 80.8 | 163.5 | -75.1 | 0 | 0 | 0 | 0 | 105.7 | S336 L340 | S336-S338 PolarHBondContact O-N 3.04Å; S336-S338 PolarHBondContact OG-OG 2.71Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 2.82Å | ||
| 339 | R | 28.7 | Very low | 36.1 | Very low | 73 Ų | 73 | 63 Ų | 63 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | trans | -67.9 | 87.1 | -173.6 | -66.1 | 178.6 | -165.4 | 158.9 | -5.9 | 109 | T337 L341 A343 D345 N346 | T337-R339 WeakPolarHBondContact O-CG 3.29Å; T337-R339 PolarHBondContact O-N 2.75Å; R339-L341 HydrophobicContact CB-CB 4.15Å; R339-L341 HydrophobicContact CB-CD1 3.75Å; R339-L341 HydrophobicContact CB-CG 3.98Å; R339-L341 HydrophobicContact CG-CD1 3.83Å; R339-L341 PolarHBondContact O-N 2.78Å; R339-A343 HydrophobicContact CB-CB 4.18Å; R339-D345 IonicContact CZ-OD1 2.89Å; R339-D345 IonicContact NH1-OD1 3.2Å; R339-D345 PolarHBondContact NH1-OD1 3.11Å; R339-D345 IonicContact NH2-OD1 3.37Å; R339-D345 PolarHBondContact NH2-OD1 3.04Å; R339-N346 VanDerWaalsContact CZ-OD1 3.23Å; R339-N346 PolarHBondContact NE-OD1 3.08Å; R339-N346 PolarHBondContact NH2-OD1 3.27Å | ||
| 340 | L | 28.6 | Very low | 35.3 | Very low | 71 Ų | 71 | 63 Ų | 63 | 37% | 0.372 | 35% | 0.35 | S | S | . | . | trans | -76.3 | 67.3 | 160.6 | -168.7 | 65.1 | 0 | 0 | 0 | 108.6 | P110 S338 T723 | P110-L340 HydrophobicContact CB-CD2 3.84Å; P110-L340 HydrophobicContact CG-CD2 3.63Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 2.82Å; L340-T723 HydrophobicContact CD1-CG2 4.42Å | ||
| 341 | L | 35.2 | Very low | 34.9 | Very low | 35 Ų | 35 | 58.4 Ų | 58.4 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -139.2 | 166.8 | -170.1 | -54.3 | 172.3 | 0 | 0 | 0 | 107.1 | R339 A343 S347 I348 | R339-L341 HydrophobicContact CB-CB 4.15Å; R339-L341 HydrophobicContact CB-CD1 3.75Å; R339-L341 HydrophobicContact CB-CG 3.98Å; R339-L341 HydrophobicContact CG-CD1 3.83Å; R339-L341 PolarHBondContact O-N 2.78Å; L341-A343 PolarHBondContact O-N 2.84Å; L341-S347 VanDerWaalsContact CD1-O 3.27Å; L341-S347 WeakPolarHBondContact CD1-O 3.21Å; L341-I348 HydrophobicContact CD2-CB 4.19Å; L341-I348 HydrophobicContact CD2-CG1 3.86Å; L341-I348 HydrophobicContact CD2-CG2 4.47Å |
| 342 | L | 33.9 | Very low | 34.8 | Very low | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -65.6 | 94.1 | 156.7 | -57.2 | -179.6 | 0 | 0 | 0 | 106.1 | A344 A349 H660 L662 F692 I761 | L342-A344 PolarHBondContact O-N 3.22Å; L342-A349 HydrophobicContact CB-CB 3.65Å; L342-A349 HydrophobicContact CD1-CB 3.64Å; L342-A349 HydrophobicContact CG-CB 3.73Å; L342-H660 HydrophobicContact CB-CB 4.39Å; L342-L662 HydrophobicContact CD2-CD1 3.45Å; L342-L662 VanDerWaalsContact CD2-CD1 3.45Å; L342-F692 HydrophobicContact CD1-CE1 4.33Å; L342-F692 HydrophobicContact CD2-CB 4.47Å; L342-F692 HydrophobicContact CD2-CD1 3.61Å; L342-F692 HydrophobicContact CD2-CE1 4.05Å; L342-F692 HydrophobicContact CD2-CG 4.05Å; L342-I761 HydrophobicContact CD1-CG2 3.57Å |
| 343 | A | 29.5 | Very low | 34.4 | Very low | 55 Ų | 55 | 56.8 Ų | 56.8 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -82.7 | 59.8 | -153 | 0 | 0 | 0 | 0 | 0 | 114.2 | R339 L341 | R339-A343 HydrophobicContact CB-CB 4.18Å; L341-A343 PolarHBondContact O-N 2.84Å | ||
| 344 | A | 27.2 | Very low | 34 | Very low | 32 Ų | 32 | 56 Ų | 56 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -87.2 | 154 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L342 N346 | L342-A344 PolarHBondContact O-N 3.22Å; A344-N346 PolarHBondContact O-N 3.24Å; A344-N346 VanDerWaalsContact O-N 3.1Å |
| 345 | D | 29.4 | Very low | 33.9 | Very low | 133 Ų | 133 | 50.6 Ų | 50.6 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.8 | 100.4 | -163 | -74.8 | -47.3 | 0 | 0 | 0 | 121.1 | R339 S347 | R339-D345 IonicContact CZ-OD1 2.89Å; R339-D345 IonicContact NH1-OD1 3.2Å; R339-D345 PolarHBondContact NH1-OD1 3.11Å; R339-D345 IonicContact NH2-OD1 3.37Å; R339-D345 PolarHBondContact NH2-OD1 3.04Å; D345-S347 PolarHBondContact O-N 2.72Å |
| 346 | N | 30.3 | Very low | 34.2 | Very low | 75 Ų | 75 | 43.6 Ų | 43.6 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 3.1 | 162.8 | -82.3 | -12.7 | 0 | 0 | 0 | 116.9 | T337 R339 A344 T768 | T337-N346 PolarHBondContact OG1-OD1 3.5Å; R339-N346 VanDerWaalsContact CZ-OD1 3.23Å; R339-N346 PolarHBondContact NE-OD1 3.08Å; R339-N346 PolarHBondContact NH2-OD1 3.27Å; A344-N346 PolarHBondContact O-N 3.24Å; A344-N346 VanDerWaalsContact O-N 3.1Å; N346-T768 WeakPolarHBondContact O-CG2 3.45Å |
| 347 | S | 31 | Very low | 34.7 | Very low | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | trans | -85.7 | 135.1 | 173.2 | 45.9 | 0 | 0 | 0 | 0 | 111.6 | L341 D345 N763 | L341-S347 VanDerWaalsContact CD1-O 3.27Å; L341-S347 WeakPolarHBondContact CD1-O 3.21Å; D345-S347 PolarHBondContact O-N 2.72Å; S347-N763 PolarHBondContact OG-OD1 3.37Å | ||
| 348 | I | 32.9 | Very low | 35.5 | Very low | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 139.1 | 155.1 | -65.9 | 150.3 | 0 | 0 | 0 | 106.1 | E59 L341 N763 D764 | E59-I348 VanDerWaalsContact OE1-CD1 3.22Å; E59-I348 WeakPolarHBondContact OE1-CD1 3.33Å; L341-I348 HydrophobicContact CD2-CB 4.19Å; L341-I348 HydrophobicContact CD2-CG1 3.86Å; L341-I348 HydrophobicContact CD2-CG2 4.47Å; I348-N763 CarbonylContact O-C 3.6Å; I348-N763 WeakPolarHBondContact O-CA 3.34Å; I348-D764 HydrophobicContact CB-CB 3.85Å; I348-D764 HydrophobicContact CG2-CB 4.07Å; I348-D764 PolarHBondContact N-O 3.35Å; I348-D764 CarbonylContact O-C 3.56Å; I348-D764 VanDerWaalsContact O-CA 3.25Å; I348-D764 WeakPolarHBondContact O-CA 3.07Å; I348-D764 WeakPolarHBondContact O-CB 3.42Å; I348-D764 PolarHBondContact O-N 3.49Å |
| 349 | A | 36.7 | Very low | 36.7 | Very low | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | L342 I761 Q762 | L342-A349 HydrophobicContact CB-CB 3.65Å; L342-A349 HydrophobicContact CD1-CB 3.64Å; L342-A349 HydrophobicContact CG-CB 3.73Å; A349-I761 HydrophobicContact CB-CG2 4.39Å; A349-Q762 CarbonylContact C-O 3.47Å; A349-Q762 WeakPolarHBondContact CA-O 3.39Å |
| 350 | S | 43.5 | Very low | 38 | Very low | 8 Ų | 8 | 44.2 Ų | 44.2 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.6 | 168.5 | 67 | 0 | 0 | 0 | 0 | 108.4 | Q352 Q762 D764 | S350-Q352 PolarHBondContact O-N 2.8Å; S350-Q762 PolarHBondContact N-O 3.32Å; S350-Q762 PolarHBondContact O-N 3.19Å; S350-D764 WeakPolarHBondContact CB-OD2 3.49Å; S350-D764 PolarHBondContact OG-OD2 3.19Å |
| 351 | V | 45 | Very low | 39.4 | Very low | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 103.6 | 165.8 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | L111 T353 F692 V726 I746 F759 E760 I761 | L111-V351 HydrophobicContact CD2-CG2 4.37Å; V351-T353 PolarHBondContact O-N 3.42Å; V351-T353 VanDerWaalsContact O-N 3.15Å; V351-F692 HydrophobicContact CG2-CE2 4.47Å; V351-F692 HydrophobicContact CG2-CZ 3.96Å; V351-V726 HydrophobicContact CB-CB 4.5Å; V351-V726 HydrophobicContact CB-CG1 4.12Å; V351-V726 HydrophobicContact CB-CG2 3.75Å; V351-V726 HydrophobicContact CG1-CG1 4.2Å; V351-V726 HydrophobicContact CG2-CG2 3.91Å; V351-I746 HydrophobicContact CG2-CD1 4.48Å; V351-F759 HydrophobicContact CG1-CB 3.76Å; V351-E760 CarbonylContact C-O 3.6Å; V351-E760 VanDerWaalsContact CA-O 3.29Å; V351-E760 WeakPolarHBondContact CA-O 3.13Å; V351-I761 HydrophobicContact CG2-CG1 4.33Å |
| 352 | Q | 44.8 | Very low | 40.7 | Very low | 57 Ų | 57 | 40.2 Ų | 40.2 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 109.4 | 171.2 | -85.2 | -165.1 | 5.8 | 0 | 0 | 108.7 | S350 T354 E760 | S350-Q352 PolarHBondContact O-N 2.8Å; Q352-T354 HydrophobicContact CB-CG2 4.36Å; Q352-T354 PolarHBondContact O-N 2.86Å; Q352-E760 PolarHBondContact N-O 3.21Å; Q352-E760 VanDerWaalsContact N-O 3.08Å |
| 353 | T | 39.6 | Very low | 41.8 | Very low | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | trans | -69.8 | 75.7 | 155.2 | 58.9 | 0 | 0 | 0 | 0 | 107.6 | Q150 V351 L355 V726 F759 | Q150-T353 PolarHBondContact NE2-OG1 2.88Å; Q150-T353 VanDerWaalsContact NE2-OG1 3.12Å; V351-T353 PolarHBondContact O-N 3.42Å; V351-T353 VanDerWaalsContact O-N 3.15Å; T353-L355 PolarHBondContact O-N 3.45Å; T353-V726 HydrophobicContact CG2-CG1 4.02Å; T353-F759 HydrophobicContact CG2-CD1 3.89Å; T353-F759 HydrophobicContact CG2-CE1 3.99Å | ||
| 354 | T | 37.3 | Very low | 42.8 | Very low | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | trans | -61.2 | 107.4 | 172.4 | 22.3 | 0 | 0 | 0 | 0 | 107.2 | Q352 S356 N359 | Q352-T354 HydrophobicContact CB-CG2 4.36Å; Q352-T354 PolarHBondContact O-N 2.86Å; T354-S356 PolarHBondContact O-N 2.9Å; T354-N359 WeakPolarHBondContact CB-ND2 3.45Å; T354-N359 PolarHBondContact O-ND2 3.22Å; T354-N359 PolarHBondContact OG1-ND2 3.21Å | ||
| 355 | L | 37.4 | Very low | 44.2 | Very low | 65 Ų | 65 | 51.8 Ų | 51.8 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | trans | -73.6 | 21.5 | -173.4 | -121.2 | 88.1 | 0 | 0 | 0 | 113.3 | C18 T353 | C18-L355 VanDerWaalsContact SG-C 3.53Å; C18-L355 PolarHBondContact SG-O 2.88Å; T353-L355 PolarHBondContact O-N 3.45Å | ||
| 356 | S | 38.8 | Very low | 45.3 | Very low | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -70.2 | 148.2 | -178.5 | 74.4 | 0 | 0 | 0 | 0 | 110.4 | T354 E358 N359 | T354-S356 PolarHBondContact O-N 2.9Å; S356-E358 PolarHBondContact O-N 2.85Å; S356-E358 WeakPolarHBondContact OG-CB 3.22Å; S356-E358 PolarHBondContact OG-N 2.97Å; S356-N359 PolarHBondContact O-N 3.05Å |
| 357 | S | 42.3 | Very low | 46.9 | Very low | 90 Ų | 90 | 53.4 Ų | 53.4 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 26.9 | 162.5 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | R363 | S357-R363 VanDerWaalsContact CA-NH2 3.3Å; S357-R363 PolarHBondContact O-NH1 3.49Å; S357-R363 PolarHBondContact O-NH2 2.77Å |
| 358 | E | 46 | Very low | 49.1 | Very low | 161 Ų | 161 | 54 Ų | 54 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -17.6 | 173.6 | -53.4 | 174.5 | 143.4 | 0 | 0 | 111.9 | S356 V360 | S356-E358 PolarHBondContact O-N 2.85Å; S356-E358 WeakPolarHBondContact OG-CB 3.22Å; S356-E358 PolarHBondContact OG-N 2.97Å; E358-V360 PolarHBondContact O-N 2.9Å |
| 359 | N | 53.9 | Low | 51.6 | Low | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -83.8 | 2 | -177.6 | -84.2 | -18.8 | 0 | 0 | 0 | 116 | T354 S356 H757 R758 | T354-N359 WeakPolarHBondContact CB-ND2 3.45Å; T354-N359 PolarHBondContact O-ND2 3.22Å; T354-N359 PolarHBondContact OG1-ND2 3.21Å; S356-N359 PolarHBondContact O-N 3.05Å; N359-H757 CarbonylContact O-C 3.54Å; N359-H757 WeakPolarHBondContact O-CA 3.47Å; N359-R758 HydrophobicContact CB-CB 4.14Å; N359-R758 VanDerWaalsContact CG-O 3.3Å; N359-R758 PolarHBondContact ND2-O 3.09Å; N359-R758 WeakPolarHBondContact O-CB 3.37Å; N359-R758 PolarHBondContact O-N 3.01Å; N359-R758 PolarHBondContact OD1-NH1 3.33Å; N359-R758 VanDerWaalsContact OD1-NH1 3.09Å |
| 360 | V | 55.1 | Low | 54.1 | Low | 23 Ų | 23 | 53.6 Ų | 53.6 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -104.3 | 104 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | E358 L362 R363 K755 | E358-V360 PolarHBondContact O-N 2.9Å; V360-L362 VanDerWaalsContact CG1-O 3.3Å; V360-L362 WeakPolarHBondContact CG1-O 3.17Å; V360-R363 HydrophobicContact CB-CG 4.24Å; V360-R363 HydrophobicContact CG1-CG 3.65Å; V360-K755 HydrophobicContact CG1-CB 4Å; V360-K755 HydrophobicContact CG1-CD 3.67Å; V360-K755 HydrophobicContact CG1-CG 3.67Å; V360-K755 HydrophobicContact CG2-CD 4.16Å |
| 361 | I | 57.9 | Low | 56.3 | Low | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | trans | -77 | -41.9 | -167.2 | -61.3 | 168.8 | 0 | 0 | 0 | 111.2 | L386 V422 P424 G427 Y747 V756 R758 | I361-L386 HydrophobicContact CD1-CD1 3.65Å; I361-L386 HydrophobicContact CG2-CD1 4.38Å; I361-V422 HydrophobicContact CG2-CG1 4.09Å; I361-P424 HydrophobicContact CD1-CB 4.25Å; I361-G427 WeakPolarHBondContact O-CA 3.32Å; I361-Y747 HydrophobicContact CD1-CD1 3.74Å; I361-Y747 HydrophobicContact CD1-CE1 3.46Å; I361-Y747 VanDerWaalsContact CD1-CE1 3.46Å; I361-V756 PolarHBondContact N-O 2.84Å; I361-V756 VanDerWaalsContact N-O 3.13Å; I361-R758 HydrophobicContact CD1-CB 4.19Å | ||
| 362 | L | 63.2 | Low | 58.6 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -103.9 | 118.9 | 174.4 | -70.8 | 175.4 | 0 | 0 | 0 | 109.3 | V360 V365 L368 V388 V422 V756 | V360-L362 VanDerWaalsContact CG1-O 3.3Å; V360-L362 WeakPolarHBondContact CG1-O 3.17Å; L362-V365 HydrophobicContact CD2-CG2 4.37Å; L362-L368 HydrophobicContact CB-CD1 4.05Å; L362-L368 HydrophobicContact CD1-CD1 4.38Å; L362-V388 HydrophobicContact CD1-CB 4.21Å; L362-V388 HydrophobicContact CD1-CG1 3.86Å; L362-V388 HydrophobicContact CD1-CG2 3.98Å; L362-V422 HydrophobicContact CD1-CG2 4.38Å; L362-V422 HydrophobicContact CD2-CG1 3.92Å; L362-V422 HydrophobicContact CD2-CG2 4.19Å; L362-V422 HydrophobicContact CG-CG1 4.37Å; L362-V756 HydrophobicContact CD1-CG2 4.22Å | ||
| 363 | R | 56.4 | Low | 61.1 | Low | 132 Ų | 132 | 50.3 Ų | 50.3 | 50% | 0.498 | 27% | 0.272 | S | S | . | . | trans | -126 | -39.4 | 178.3 | -74.2 | -168.1 | 169.6 | 145.2 | 12.5 | 115.1 | S357 V360 | S357-R363 VanDerWaalsContact CA-NH2 3.3Å; S357-R363 PolarHBondContact O-NH1 3.49Å; S357-R363 PolarHBondContact O-NH2 2.77Å; V360-R363 HydrophobicContact CB-CG 4.24Å; V360-R363 HydrophobicContact CG1-CG 3.65Å | ||
| 364 | D | 50.6 | Low | 63.7 | Low | 146 Ų | 146 | 49.8 Ų | 49.8 | 78% | 0.781 | 27% | 0.269 | S | S | * | . | trans | -140.1 | 28.5 | -152.7 | -130.3 | -5.3 | 0 | 0 | 0 | 112.7 | T366 | D364-T366 PolarHBondContact O-N 3.4Š| ||
| 365 | V | 55.7 | Low | 66.6 | Low | 59 Ų | 59 | 49.4 Ų | 49.4 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | trans | -82.6 | 104.4 | 161.5 | -174.6 | 0 | 0 | 0 | 0 | 106.1 | L362 L367 L368 V429 | L362-V365 HydrophobicContact CD2-CG2 4.37Å; V365-L367 PolarHBondContact O-N 3.1Å; V365-L368 HydrophobicContact CB-CD1 3.72Å; V365-L368 HydrophobicContact CB-CG 3.87Å; V365-L368 HydrophobicContact CG1-CG 4.37Å; V365-L368 HydrophobicContact CG2-CD1 4.12Å; V365-L368 PolarHBondContact O-N 2.81Å; V365-V429 HydrophobicContact CG2-CG2 4.48Å | ||
| 366 | T | 52.3 | Low | 69.3 | Low | 130 Ų | 130 | 46.8 Ų | 46.8 | 80% | 0.798 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 4.3 | -169.7 | 52.2 | 0 | 0 | 0 | 0 | 116.3 | D364 | D364-T366 PolarHBondContact O-N 3.4Š|
| 367 | L | 65.6 | Low | 71.9 | Confident | 112 Ų | 112 | 46.1 Ų | 46.1 | 59% | 0.586 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 11.1 | -178.9 | -75.8 | 155.4 | 0 | 0 | 0 | 112.8 | V365 G369 T416 | V365-L367 PolarHBondContact O-N 3.1Å; L367-G369 PolarHBondContact O-N 2.86Å; L367-T416 HydrophobicContact CD2-CG2 4.3Å |
| 368 | L | 76.9 | Confident | 74.2 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | trans | -66.6 | 126.5 | 169.5 | -85.4 | 165 | 0 | 0 | 0 | 110.1 | L362 V365 V371 H390 L420 Y754 | L362-L368 HydrophobicContact CB-CD1 4.05Å; L362-L368 HydrophobicContact CD1-CD1 4.38Å; V365-L368 HydrophobicContact CB-CD1 3.72Å; V365-L368 HydrophobicContact CB-CG 3.87Å; V365-L368 HydrophobicContact CG1-CG 4.37Å; V365-L368 HydrophobicContact CG2-CD1 4.12Å; V365-L368 PolarHBondContact O-N 2.81Å; L368-V371 HydrophobicContact CD2-CG2 4.3Å; L368-H390 HydrophobicContact CD2-CB 4.06Å; L368-H390 VanDerWaalsContact CD2-CD2 3.44Å; L368-H390 WeakPolarHBondContact CD2-CD2 3.19Å; L368-L420 HydrophobicContact CD2-CD1 4.05Å; L368-Y754 WeakPolarHBondContact O-CD2 3.03Å | ||
| 369 | G | 84.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -93.9 | -162.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L367 V371 G392 Y754 | L367-G369 PolarHBondContact O-N 2.86Å; G369-V371 PolarHBondContact O-N 2.89Å; G369-V371 VanDerWaalsContact O-N 3.08Å; G369-G392 WeakPolarHBondContact CA-O 3.01Å; G369-G392 PolarHBondContact N-O 2.98Å; G369-Y754 VanDerWaalsContact C-CG 3.45Å; G369-Y754 WeakPolarHBondContact O-CB 3.18Å; G369-Y754 WeakPolarHBondContact O-CD1 3.49Å | ||
| 370 | Q | 89.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | trans | -45.4 | 118.1 | 167.8 | -70.8 | 177.7 | -25.9 | 0 | 0 | 109.8 | S372 H390 R391 W396 I751 Y754 | Q370-S372 PolarHBondContact O-N 2.86Å; Q370-H390 VanDerWaalsContact O-CA 3.3Å; Q370-H390 WeakPolarHBondContact O-CA 3.2Å; Q370-R391 HydrophobicContact CB-CB 4.38Å; Q370-R391 HydrophobicContact CB-CG 4.4Å; Q370-R391 PolarHBondContact O-N 3.44Å; Q370-W396 PolarHBondContact NE2-O 2.94Å; Q370-I751 HydrophobicContact CB-CG1 4.47Å; Q370-I751 HydrophobicContact CG-CG2 4.15Å; Q370-Y754 VanDerWaalsContact CA-CD1 3.5Å; Q370-Y754 HydrophobicContact CB-CE1 4.26Å; Q370-Y754 HydrophobicContact CG-CD1 4.4Å; Q370-Y754 HydrophobicContact CG-CE1 3.71Å | ||
| 371 | V | 91 | Very high | 78.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.6 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | L368 G369 V388 V756 | L368-V371 HydrophobicContact CD2-CG2 4.3Å; G369-V371 PolarHBondContact O-N 2.89Å; G369-V371 VanDerWaalsContact O-N 3.08Å; V371-V388 HydrophobicContact CG1-CG1 3.52Å; V371-V756 HydrophobicContact CG1-CG2 4.02Å |
| 372 | S | 92.7 | Very high | 80 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -38.9 | -172.6 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | Q370 L389 P441 H442 H735 D736 | Q370-S372 PolarHBondContact O-N 2.86Å; S372-L389 PolarHBondContact N-O 2.95Å; S372-P441 PolarHBondContact OG-O 2.71Å; S372-H442 CarbonylContact C-O 3.53Å; S372-H442 WeakPolarHBondContact CB-O 3.41Å; S372-H442 PolarHBondContact OG-O 2.91Å; S372-H735 PolarHBondContact O-CE1 2.88Å; S372-H735 PolarHBondContact O-ND1 3.41Å; S372-D736 WeakPolarHBondContact O-CB 3.48Å |
| 373 | S | 96.4 | Very high | 81.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 154.1 | -175.7 | 174.9 | 0 | 0 | 0 | 0 | 112.9 | L389 H442 I444 D736 | S373-L389 PolarHBondContact O-N 3.31Å; S373-H442 VanDerWaalsContact CB-O 3.31Å; S373-H442 WeakPolarHBondContact CB-O 3.33Å; S373-I444 WeakPolarHBondContact OG-CG2 3.48Å; S373-I444 PolarHBondContact OG-N 2.84Å; S373-I444 PolarHBondContact OG-O 2.77Å; S373-D736 WeakPolarHBondContact CA-OD2 3.38Å; S373-D736 WeakPolarHBondContact CB-OD2 3.5Å; S373-D736 PolarHBondContact OG-OD2 3.41Å |
| 374 | V | 95.8 | Very high | 82.8 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.1 | -176.8 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | L386 I387 V388 D736 T738 V756 | V374-L386 HydrophobicContact CG2-CB 4.47Å; V374-I387 CarbonylContact C-O 3.56Å; V374-I387 WeakPolarHBondContact CA-O 2.99Å; V374-V388 HydrophobicContact CG2-CG2 4.19Å; V374-D736 PolarHBondContact N-OD2 2.75Å; V374-T738 HydrophobicContact CB-CG2 4.4Å; V374-T738 HydrophobicContact CG1-CG2 4.11Å; V374-T738 HydrophobicContact CG2-CG2 3.93Å; V374-T738 WeakPolarHBondContact O-CB 3.4Å; V374-T738 WeakPolarHBondContact O-CG2 3.49Å; V374-V756 HydrophobicContact CG2-CG1 4.14Å |
| 375 | E | 96.8 | Very high | 84.8 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 161.1 | 178.4 | -92.4 | -77.1 | -137 | 0 | 0 | 111.7 | L386 I387 I444 L446 T738 | E375-L386 CarbonylContact O-C 3.49Å; E375-L386 WeakPolarHBondContact O-CA 2.91Å; E375-I387 HydrophobicContact CB-CB 4.26Å; E375-I387 PolarHBondContact N-O 3.43Å; E375-I387 PolarHBondContact O-N 2.86Å; E375-I444 HydrophobicContact CG-CG2 4.42Å; E375-I444 WeakPolarHBondContact CG-O 3.12Å; E375-L446 HydrophobicContact CB-CD1 4.11Å; E375-L446 HydrophobicContact CB-CG 4Å; E375-L446 HydrophobicContact CG-CG 4.21Å; E375-L446 PolarHBondContact OE1-N 3.42Å; E375-L446 VanDerWaalsContact OE1-N 3.15Å; E375-T738 PolarHBondContact OE2-OG1 2.9Å; E375-T738 VanDerWaalsContact OE2-OG1 3.07Å |
| 376 | T | 95.3 | Very high | 86.6 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.7 | 173.6 | 90.1 | 0 | 0 | 0 | 0 | 113.6 | E385 L386 L446 T738 L739 P741 Y747 | T376-E385 WeakPolarHBondContact CA-O 3.02Å; T376-L386 HydrophobicContact CG2-CD2 3.67Å; T376-L446 WeakPolarHBondContact O-CD1 3.42Å; T376-T738 HydrophobicContact CG2-CG2 3.47Å; T376-T738 VanDerWaalsContact CG2-CG2 3.47Å; T376-L739 WeakPolarHBondContact CG2-O 3.45Å; T376-L739 PolarHBondContact OG1-O 3.07Å; T376-P741 VanDerWaalsContact OG1-CD 3.32Å; T376-P741 WeakPolarHBondContact OG1-CD 3.26Å; T376-Y747 HydrophobicContact CG2-CD2 3.73Å; T376-Y747 HydrophobicContact CG2-CE2 4.03Å |
| 377 | R | 92.6 | Very high | 88.7 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.1 | 170.8 | 69.3 | 175.2 | -167.1 | 94.8 | -5.7 | 112.3 | H384 E385 L446 P473 W491 | R377-H384 CarbonylContact O-C 3.47Å; R377-H384 WeakPolarHBondContact O-CA 3.47Å; R377-H384 VanDerWaalsContact O-CB 3.26Å; R377-H384 WeakPolarHBondContact O-CB 3.33Å; R377-E385 HydrophobicContact CG-CG 3.82Å; R377-E385 IonicContact CZ-OE1 3.03Å; R377-E385 PolarHBondContact N-O 3.15Å; R377-E385 VanDerWaalsContact N-O 3.13Å; R377-E385 IonicContact NE-OE1 2.72Å; R377-E385 PolarHBondContact NE-OE1 3.29Å; R377-E385 IonicContact NH2-OE1 2.66Å; R377-E385 PolarHBondContact NH2-OE1 3.07Å; R377-E385 IonicContact NH2-OE2 3.47Å; R377-E385 PolarHBondContact NH2-OE2 3.39Å; R377-E385 PolarHBondContact O-N 3Å; R377-L446 HydrophobicContact CB-CD1 3.88Å; R377-P473 HydrophobicContact CB-CG 4.33Å; R377-W491 VanDerWaalsContact CD-CH2 3.43Å |
| 378 | V | 90.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 34% | 0.339 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.4 | 166.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | Q383 P741 | V378-Q383 WeakPolarHBondContact CA-O 3.21Å; V378-P741 HydrophobicContact CG2-CB 3.46Å; V378-P741 VanDerWaalsContact CG2-CB 3.46Å; V378-P741 HydrophobicContact CG2-CG 3.79Å |
| 379 | T | 87.4 | Confident | 91 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | trans | -98.3 | 161.4 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | N381 G382 Q383 E385 | T379-N381 VanDerWaalsContact CB-OD1 3.24Å; T379-N381 WeakPolarHBondContact CB-OD1 3.48Å; T379-N381 PolarHBondContact O-N 3.28Å; T379-N381 PolarHBondContact OG1-OD1 2.87Å; T379-G382 PolarHBondContact O-N 2.58Å; T379-Q383 PolarHBondContact N-O 3.27Å; T379-Q383 PolarHBondContact OG1-N 3.08Å; T379-Q383 PolarHBondContact OG1-O 3.32Å; T379-Q383 VanDerWaalsContact OG1-O 3.05Å; T379-E385 HydrophobicContact CG2-CB 3.81Å; T379-E385 HydrophobicContact CG2-CG 3.62Å | ||
| 380 | D | 81.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 26.5 Ų | 26.5 | 64% | 0.642 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.2 | -178 | -85.1 | -60.9 | 0 | 0 | 0 | 114.6 | K470 | D380-K470 IonicContact OD1-NZ 2.62Å; D380-K470 PolarHBondContact OD1-NZ 3.45Å |
| 381 | N | 83.1 | Confident | 91.6 | Very high | 110 Ų | 110 | 26.3 Ų | 26.3 | 59% | 0.588 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.9 | 175.9 | 61.3 | -48.7 | 0 | 0 | 0 | 114.1 | T379 Q383 | T379-N381 VanDerWaalsContact CB-OD1 3.24Å; T379-N381 WeakPolarHBondContact CB-OD1 3.48Å; T379-N381 PolarHBondContact O-N 3.28Å; T379-N381 PolarHBondContact OG1-OD1 2.87Å; N381-Q383 VanDerWaalsContact C-N 3.26Å; N381-Q383 PolarHBondContact ND2-OE1 3.31Å; N381-Q383 PolarHBondContact O-N 3.01Å |
| 382 | G | 81.9 | Confident | 91.5 | Very high | 63 Ų | 63 | 26.7 Ų | 26.7 | 65% | 0.649 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 74.9 | 10.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T379 | T379-G382 PolarHBondContact O-N 2.58Š|
| 383 | Q | 86.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | trans | -88.2 | -175.5 | 164.9 | -66.2 | -177.4 | -38 | 0 | 0 | 109 | V378 T379 N381 | V378-Q383 WeakPolarHBondContact CA-O 3.21Å; T379-Q383 PolarHBondContact N-O 3.27Å; T379-Q383 PolarHBondContact OG1-N 3.08Å; T379-Q383 PolarHBondContact OG1-O 3.32Å; T379-Q383 VanDerWaalsContact OG1-O 3.05Å; N381-Q383 VanDerWaalsContact C-N 3.26Å; N381-Q383 PolarHBondContact ND2-OE1 3.31Å; N381-Q383 PolarHBondContact O-N 3.01Å | ||
| 384 | H | 91.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 158.8 | 166.8 | 69.8 | -65.1 | 0 | 0 | 0 | 112 | R377 P424 F425 P741 Y747 | R377-H384 CarbonylContact O-C 3.47Å; R377-H384 WeakPolarHBondContact O-CA 3.47Å; R377-H384 VanDerWaalsContact O-CB 3.26Å; R377-H384 WeakPolarHBondContact O-CB 3.33Å; H384-P424 VanDerWaalsContact O-CD 3.29Å; H384-P424 WeakPolarHBondContact O-CD 3.45Å; H384-P424 WeakPolarHBondContact O-CG 3.26Å; H384-F425 AromaticContact CE1-CZ 3.81Å; H384-P741 HydrophobicContact CB-CG 3.7Å; H384-Y747 AromaticContact NE2-CE2 3.78Å; H384-Y747 AromaticContact NE2-CZ 3.69Å; H384-Y747 PolarHBondContact NE2-OH 2.89Å |
| 385 | E | 93.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.8 | 170.1 | 69.1 | 176.5 | -153.6 | 0 | 0 | 111 | T376 R377 T379 I387 H421 V422 | T376-E385 WeakPolarHBondContact CA-O 3.02Å; R377-E385 HydrophobicContact CG-CG 3.82Å; R377-E385 IonicContact CZ-OE1 3.03Å; R377-E385 PolarHBondContact N-O 3.15Å; R377-E385 VanDerWaalsContact N-O 3.13Å; R377-E385 IonicContact NE-OE1 2.72Å; R377-E385 PolarHBondContact NE-OE1 3.29Å; R377-E385 IonicContact NH2-OE1 2.66Å; R377-E385 PolarHBondContact NH2-OE1 3.07Å; R377-E385 IonicContact NH2-OE2 3.47Å; R377-E385 PolarHBondContact NH2-OE2 3.39Å; R377-E385 PolarHBondContact O-N 3Å; T379-E385 HydrophobicContact CG2-CB 3.81Å; T379-E385 HydrophobicContact CG2-CG 3.62Å; E385-I387 HydrophobicContact CG-CD1 4.37Å; E385-I387 WeakPolarHBondContact OE1-CD1 3.21Å; E385-H421 IonicContact OE1-CG 3.62Å; E385-H421 IonicContact OE1-ND1 3.05Å; E385-H421 PolarHBondContact OE1-ND1 2.9Å; E385-V422 WeakPolarHBondContact CB-O 3.05Å |
| 386 | L | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140 | 173 | -52.6 | -178.9 | 0 | 0 | 0 | 109.8 | I361 V374 E375 T376 V388 H421 V422 P424 Y747 V756 | I361-L386 HydrophobicContact CD1-CD1 3.65Å; I361-L386 HydrophobicContact CG2-CD1 4.38Å; V374-L386 HydrophobicContact CG2-CB 4.47Å; E375-L386 CarbonylContact O-C 3.49Å; E375-L386 WeakPolarHBondContact O-CA 2.91Å; T376-L386 HydrophobicContact CG2-CD2 3.67Å; L386-V388 HydrophobicContact CB-CG2 4.07Å; L386-H421 CarbonylContact O-C 3.41Å; L386-H421 WeakPolarHBondContact O-CA 3.48Å; L386-V422 HydrophobicContact CB-CB 4.37Å; L386-V422 PolarHBondContact N-O 2.99Å; L386-V422 PolarHBondContact O-N 2.95Å; L386-P424 HydrophobicContact CD1-CB 4.21Å; L386-P424 HydrophobicContact CD2-CB 4.42Å; L386-P424 HydrophobicContact CG-CB 4.03Å; L386-Y747 HydrophobicContact CD1-CD1 4.03Å; L386-Y747 HydrophobicContact CD1-CE1 4.17Å; L386-Y747 HydrophobicContact CD1-CG 4.45Å; L386-Y747 HydrophobicContact CD2-CD1 4.08Å; L386-Y747 HydrophobicContact CD2-CD2 3.64Å; L386-Y747 HydrophobicContact CD2-CE1 4.1Å; L386-Y747 HydrophobicContact CD2-CE2 3.65Å; L386-Y747 HydrophobicContact CD2-CG 3.84Å; L386-V756 HydrophobicContact CD1-CG1 4.16Å |
| 387 | I | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.5 | 166.9 | -49.3 | -58.1 | 0 | 0 | 0 | 106.5 | V374 E375 E385 V419 L420 H421 I444 L446 W491 | V374-I387 CarbonylContact C-O 3.56Å; V374-I387 WeakPolarHBondContact CA-O 2.99Å; E375-I387 HydrophobicContact CB-CB 4.26Å; E375-I387 PolarHBondContact N-O 3.43Å; E375-I387 PolarHBondContact O-N 2.86Å; E385-I387 HydrophobicContact CG-CD1 4.37Å; E385-I387 WeakPolarHBondContact OE1-CD1 3.21Å; I387-V419 HydrophobicContact CG2-CG1 3.71Å; I387-L420 CarbonylContact C-O 3.33Å; I387-L420 WeakPolarHBondContact CA-O 3.19Å; I387-H421 HydrophobicContact CD1-CB 4.15Å; I387-I444 HydrophobicContact CG2-CD1 3.6Å; I387-I444 HydrophobicContact CG2-CG1 4.45Å; I387-L446 HydrophobicContact CG1-CD1 4.09Å; I387-L446 HydrophobicContact CG1-CD2 4.46Å; I387-W491 HydrophobicContact CD1-CH2 4.43Å |
| 388 | V | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.1 | -173 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L362 V371 V374 L386 V419 L420 V422 V756 | L362-V388 HydrophobicContact CD1-CB 4.21Å; L362-V388 HydrophobicContact CD1-CG1 3.86Å; L362-V388 HydrophobicContact CD1-CG2 3.98Å; V371-V388 HydrophobicContact CG1-CG1 3.52Å; V374-V388 HydrophobicContact CG2-CG2 4.19Å; L386-V388 HydrophobicContact CB-CG2 4.07Å; V388-V419 WeakPolarHBondContact O-CA 2.89Å; V388-L420 PolarHBondContact N-O 2.88Å; V388-L420 PolarHBondContact O-N 3.26Å; V388-V422 HydrophobicContact CG2-CG2 4.18Å; V388-V756 HydrophobicContact CG1-CG2 4.17Å; V388-V756 HydrophobicContact CG2-CG2 4.19Å |
| 389 | L | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.7 | 176.7 | -176.4 | 67.1 | 0 | 0 | 0 | 110.1 | S372 S373 V419 P441 H442 S443 I444 I478 | S372-L389 PolarHBondContact N-O 2.95Å; S373-L389 PolarHBondContact O-N 3.31Å; L389-V419 HydrophobicContact CD1-CG2 3.8Å; L389-P441 HydrophobicContact CD1-CB 3.86Å; L389-P441 HydrophobicContact CD1-CG 4.27Å; L389-P441 HydrophobicContact CD2-CB 4.01Å; L389-P441 HydrophobicContact CG-CB 4.07Å; L389-H442 WeakPolarHBondContact CD2-O 3.48Å; L389-S443 VanDerWaalsContact CD2-C 3.44Å; L389-S443 WeakPolarHBondContact CD2-O 3.23Å; L389-I444 HydrophobicContact CB-CB 4.09Å; L389-I444 HydrophobicContact CB-CG2 3.74Å; L389-I444 HydrophobicContact CD2-CB 3.96Å; L389-I444 HydrophobicContact CD2-CG2 4.36Å; L389-I478 HydrophobicContact CD1-CD1 4.4Å; L389-I478 HydrophobicContact CD1-CG2 4.45Å; L389-I478 HydrophobicContact CD2-CG2 4.25Å |
| 390 | H | 93.9 | Very high | 87.6 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153 | 177.6 | 68 | 73.3 | 0 | 0 | 0 | 113.9 | L368 Q370 G392 E417 T418 | L368-H390 HydrophobicContact CD2-CB 4.06Å; L368-H390 VanDerWaalsContact CD2-CD2 3.44Å; L368-H390 WeakPolarHBondContact CD2-CD2 3.19Å; Q370-H390 VanDerWaalsContact O-CA 3.3Å; Q370-H390 WeakPolarHBondContact O-CA 3.2Å; H390-G392 PolarHBondContact ND1-N 2.84Å; H390-E417 PolarHBondContact CE1-O 2.77Å; H390-E417 PolarHBondContact NE2-O 2.97Å; H390-E417 VanDerWaalsContact NE2-O 3.17Å; H390-T418 PolarHBondContact N-O 3.47Å |
| 391 | R | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.6 | -6.9 | -177.3 | -56.9 | 176.9 | -176.3 | 148.3 | 3.3 | 114.2 | Q370 N394 I414 L440 P441 H442 | Q370-R391 HydrophobicContact CB-CB 4.38Å; Q370-R391 HydrophobicContact CB-CG 4.4Å; Q370-R391 PolarHBondContact O-N 3.44Å; R391-N394 WeakPolarHBondContact CB-O 3.3Å; R391-N394 PolarHBondContact O-N 2.83Å; R391-N394 VanDerWaalsContact O-N 3.13Å; R391-I414 WeakPolarHBondContact O-CD1 3.45Å; R391-L440 HydrophobicContact CG-CD1 4.43Å; R391-P441 HydrophobicContact CG-CG 4.27Å; R391-P441 WeakPolarHBondContact CG-O 3.12Å; R391-P441 PolarHBondContact NE-O 2.81Å; R391-H442 PolarHBondContact NH2-CD2 2.87Å; R391-H442 VanDerWaalsContact NH2-CD2 3.32Å | ||
| 392 | G | 88.8 | Confident | 88.1 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -125.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G369 H390 N394 | G369-G392 WeakPolarHBondContact CA-O 3.01Å; G369-G392 PolarHBondContact N-O 2.98Å; H390-G392 PolarHBondContact ND1-N 2.84Å; G392-N394 VanDerWaalsContact C-N 3.27Å; G392-N394 PolarHBondContact O-N 3.47Å |
| 393 | P | 87.5 | Confident | 88.1 | Confident | 80 Ų | 80 | 35.2 Ų | 35.2 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -20.9 | 175.7 | 32.1 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 394 | N | 89.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | trans | -80.9 | 134.4 | -177 | -66.2 | 5.7 | 0 | 0 | 0 | 109.8 | R391 G392 E412 I414 I439 L440 | R391-N394 WeakPolarHBondContact CB-O 3.3Å; R391-N394 PolarHBondContact O-N 2.83Å; R391-N394 VanDerWaalsContact O-N 3.13Å; G392-N394 VanDerWaalsContact C-N 3.27Å; G392-N394 PolarHBondContact O-N 3.47Å; N394-E412 PolarHBondContact ND2-O 2.65Å; N394-I414 HydrophobicContact CB-CG1 4.26Å; N394-I439 PolarHBondContact ND2-O 2.84Å; N394-L440 HydrophobicContact CB-CD1 4.2Å | ||
| 395 | T | 84.9 | Confident | 87.9 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 32% | 0.319 | 20% | 0.196 | S | C | . | . | trans | -122.2 | 130.7 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | T397 | T395-T397 PolarHBondContact O-N 3.17Š| ||
| 396 | W | 86.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | trans | -81.4 | 118.4 | 169.4 | -163.5 | 1.6 | 0 | 0 | 0 | 109.4 | Q370 F401 L440 H442 V481 Y534 | Q370-W396 PolarHBondContact NE2-O 2.94Å; W396-F401 AromaticContact CD1-CE2 3.95Å; W396-F401 AromaticContact CE2-CE2 3.74Å; W396-F401 HydrophobicContact CZ2-CE2 4.02Å; W396-F401 AromaticContact NE1-CD2 3.54Å; W396-F401 AromaticContact NE1-CE2 3.36Å; W396-L440 HydrophobicContact CB-CD1 4.32Å; W396-L440 HydrophobicContact CB-CD2 3.86Å; W396-L440 HydrophobicContact CB-CG 4.39Å; W396-L440 HydrophobicContact CD2-CD2 4.07Å; W396-L440 HydrophobicContact CG-CD2 3.72Å; W396-H442 AromaticContact CZ3-CD2 3.59Å; W396-H442 AromaticContact CZ3-NE2 3.86Å; W396-V481 HydrophobicContact CE3-CG2 4.29Å; W396-V481 HydrophobicContact CH2-CB 4.37Å; W396-V481 HydrophobicContact CH2-CG1 4.2Å; W396-V481 HydrophobicContact CH2-CG2 4.08Å; W396-V481 HydrophobicContact CZ2-CG2 4.4Å; W396-V481 HydrophobicContact CZ3-CG1 4.38Å; W396-V481 HydrophobicContact CZ3-CG2 4.06Å; W396-Y534 AromaticContact CH2-CD1 3.95Å; W396-Y534 HydrophobicContact CH2-CD1 3.95Å; W396-Y534 AromaticContact CH2-CD2 3.9Å; W396-Y534 HydrophobicContact CH2-CD2 3.9Å; W396-Y534 AromaticContact CH2-CE1 3.57Å; W396-Y534 HydrophobicContact CH2-CE1 3.57Å; W396-Y534 AromaticContact CH2-CE2 3.53Å; W396-Y534 HydrophobicContact CH2-CE2 3.53Å; W396-Y534 HydrophobicContact CH2-CG 4.09Å; W396-Y534 AromaticContact CH2-CZ 3.33Å; W396-Y534 HydrophobicContact CZ2-CD1 4.41Å; W396-Y534 HydrophobicContact CZ2-CE1 4.28Å; W396-Y534 HydrophobicContact CZ3-CE1 4.15Å; W396-Y534 AromaticContact CZ3-CE2 3.92Å; W396-Y534 HydrophobicContact CZ3-CE2 3.92Å; W396-Y534 AromaticContact CZ3-CZ 3.59Å; W396-Y534 WeakPolarHBondContact CZ3-OH 3.39Å | ||
| 397 | T | 81.2 | Confident | 87.5 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | trans | -135.1 | 172.7 | 176.4 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | T395 N399 S400 | T395-T397 PolarHBondContact O-N 3.17Å; T397-N399 VanDerWaalsContact C-N 3.26Å; T397-N399 PolarHBondContact O-N 2.87Å; T397-S400 PolarHBondContact N-OG 2.94Å; T397-S400 VanDerWaalsContact O-CB 3.28Å; T397-S400 WeakPolarHBondContact O-CB 3.48Å; T397-S400 PolarHBondContact O-N 2.97Å; T397-S400 PolarHBondContact O-OG 3.26Å; T397-S400 PolarHBondContact OG1-OG 2.94Å | ||
| 398 | Y | 72.4 | Confident | 87 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 28% | 0.275 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -54.5 | -41.7 | -177.7 | -174 | -88.3 | 0 | 0 | 0 | 112.5 | S400 V911 A915 | Y398-S400 PolarHBondContact O-N 3.11Å; Y398-V911 HydrophobicContact CD2-CB 4.19Å; Y398-V911 HydrophobicContact CD2-CG1 4.38Å; Y398-V911 HydrophobicContact CE2-CB 4.33Å; Y398-A915 VanDerWaalsContact CA-CB 3.47Å; Y398-A915 VanDerWaalsContact CB-CB 3.42Å; Y398-A915 HydrophobicContact CD2-CB 4.46Å; Y398-A915 HydrophobicContact CG-CB 4.46Å |
| 399 | N | 79.1 | Confident | 86.1 | Confident | 105 Ų | 105 | 52.5 Ų | 52.5 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -84 | 9.6 | -174.7 | -57.2 | -30.9 | 0 | 0 | 0 | 112.7 | T397 F401 | T397-N399 VanDerWaalsContact C-N 3.26Å; T397-N399 PolarHBondContact O-N 2.87Å; N399-F401 VanDerWaalsContact C-N 3.25Å; N399-F401 PolarHBondContact O-N 3.06Å |
| 400 | S | 85.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -75.2 | -18.7 | -174.6 | -47.6 | 0 | 0 | 0 | 0 | 113 | T397 Y398 Y407 Q408 N409 | T397-S400 PolarHBondContact N-OG 2.94Å; T397-S400 VanDerWaalsContact O-CB 3.28Å; T397-S400 WeakPolarHBondContact O-CB 3.48Å; T397-S400 PolarHBondContact O-N 2.97Å; T397-S400 PolarHBondContact O-OG 3.26Å; T397-S400 PolarHBondContact OG1-OG 2.94Å; Y398-S400 PolarHBondContact O-N 3.11Å; S400-Y407 CarbonylContact O-C 3.45Å; S400-Y407 VanDerWaalsContact O-CA 3.27Å; S400-Y407 WeakPolarHBondContact O-CA 2.93Å; S400-Y407 VanDerWaalsContact O-CD2 3.23Å; S400-Y407 WeakPolarHBondContact O-CD2 3.18Å; S400-Q408 PolarHBondContact O-N 3.26Å; S400-N409 WeakPolarHBondContact CA-ND2 3.48Å; S400-N409 PolarHBondContact OG-ND2 3.21Å |
| 401 | F | 86.7 | Confident | 83.2 | Confident | 23 Ų | 23 | 57 Ų | 57 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -130.7 | 146.7 | -176.8 | -68.2 | -81.7 | 0 | 0 | 0 | 110.2 | W396 N399 F405 I406 Y407 L440 V481 A482 Q516 | W396-F401 AromaticContact CD1-CE2 3.95Å; W396-F401 AromaticContact CE2-CE2 3.74Å; W396-F401 HydrophobicContact CZ2-CE2 4.02Å; W396-F401 AromaticContact NE1-CD2 3.54Å; W396-F401 AromaticContact NE1-CE2 3.36Å; N399-F401 VanDerWaalsContact C-N 3.25Å; N399-F401 PolarHBondContact O-N 3.06Å; F401-F405 WeakPolarHBondContact CD1-O 3.16Å; F401-I406 WeakPolarHBondContact CA-O 2.89Å; F401-Y407 HydrophobicContact CE1-CD2 4.13Å; F401-Y407 HydrophobicContact CE1-CG 4.48Å; F401-Y407 HydrophobicContact CE2-CD2 4.3Å; F401-Y407 AromaticContact CZ-CD2 3.99Å; F401-Y407 HydrophobicContact CZ-CD2 3.99Å; F401-L440 HydrophobicContact CE2-CD2 3.91Å; F401-L440 HydrophobicContact CZ-CD2 4.06Å; F401-V481 HydrophobicContact CZ-CG2 4.3Å; F401-A482 HydrophobicContact CE1-CB 4.33Å; F401-A482 HydrophobicContact CZ-CB 4.12Å; F401-Q516 VanDerWaalsContact CD1-NE2 3.35Å; F401-Q516 VanDerWaalsContact CD2-NE2 3.29Å; F401-Q516 HydrophobicContact CE1-CG 4.47Å; F401-Q516 VanDerWaalsContact CG-NE2 3.27Å; F401-Q516 HydrophobicContact CZ-CG 4.4Å |
| 402 | N | 87 | Confident | 82.8 | Confident | 42 Ų | 42 | 64 Ų | 64 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | trans | -81.4 | -177.4 | 168.7 | 66.4 | -6.9 | 0 | 0 | 0 | 111.4 | E404 F405 I406 Q408 | N402-E404 PolarHBondContact ND2-OE2 3.2Å; N402-E404 PolarHBondContact O-N 2.81Å; N402-E404 PolarHBondContact OD1-N 3.39Å; N402-F405 PolarHBondContact O-N 3.06Å; N402-F405 PolarHBondContact OD1-N 3.44Å; N402-F405 VanDerWaalsContact OD1-N 3.15Å; N402-I406 PolarHBondContact N-O 3.17Å; N402-I406 WeakPolarHBondContact OD1-CA 3.43Å; N402-I406 WeakPolarHBondContact OD1-CB 3.49Å; N402-I406 PolarHBondContact OD1-N 3.06Å; N402-I406 PolarHBondContact OD1-O 3.27Å; N402-Q408 HydrophobicContact CB-CG 4.24Å | ||
| 403 | K | 83.3 | Confident | 82.9 | Confident | 167 Ų | 167 | 69 Ų | 69 | 73% | 0.726 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.1 | 176.7 | -66 | -166.8 | 171.6 | -157.2 | 0 | 113 | F405 | K403-F405 VanDerWaalsContact C-N 3.28Š|
| 404 | E | 85.6 | Confident | 83.1 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 12 | 176.8 | -54.9 | 70.7 | -149.5 | 0 | 0 | 112.7 | N402 I406 P507 | N402-E404 PolarHBondContact ND2-OE2 3.2Å; N402-E404 PolarHBondContact O-N 2.81Å; N402-E404 PolarHBondContact OD1-N 3.39Å; E404-I406 HydrophobicContact CB-CD1 4.26Å; E404-I406 HydrophobicContact CB-CG1 4.34Å; E404-I406 PolarHBondContact O-N 2.87Å; E404-P507 WeakPolarHBondContact O-CG 3.39Å |
| 405 | F | 88.5 | Confident | 83.2 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | trans | 60 | 18.9 | -179 | -53.1 | -82.4 | 0 | 0 | 0 | 116.2 | F401 N402 K403 H484 P507 C515 C535 | F401-F405 WeakPolarHBondContact CD1-O 3.16Å; N402-F405 PolarHBondContact O-N 3.06Å; N402-F405 PolarHBondContact OD1-N 3.44Å; N402-F405 VanDerWaalsContact OD1-N 3.15Å; K403-F405 VanDerWaalsContact C-N 3.28Å; F405-H484 PolarHBondContact O-CE1 3.11Å; F405-H484 PolarHBondContact O-NE2 2.82Å; F405-P507 HydrophobicContact CB-CB 4.18Å; F405-P507 HydrophobicContact CB-CG 4.19Å; F405-C515 VanDerWaalsContact CG-SG 3.55Å; F405-C535 HydrophobicContact CD1-CB 4.18Å; F405-C535 VanDerWaalsContact CD1-SG 3.55Å; F405-C535 HydrophobicContact CD2-CB 4.26Å; F405-C535 HydrophobicContact CE1-CB 3.9Å; F405-C535 HydrophobicContact CE2-CB 3.99Å; F405-C535 HydrophobicContact CG-CB 4.35Å; F405-C535 HydrophobicContact CZ-CB 3.8Å | ||
| 406 | I | 89.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | trans | -87.3 | 134.1 | 175.2 | -54.6 | 172.5 | 0 | 0 | 0 | 110.5 | F401 N402 E404 P507 | F401-I406 WeakPolarHBondContact CA-O 2.89Å; N402-I406 PolarHBondContact N-O 3.17Å; N402-I406 WeakPolarHBondContact OD1-CA 3.43Å; N402-I406 WeakPolarHBondContact OD1-CB 3.49Å; N402-I406 PolarHBondContact OD1-N 3.06Å; N402-I406 PolarHBondContact OD1-O 3.27Å; E404-I406 HydrophobicContact CB-CD1 4.26Å; E404-I406 HydrophobicContact CB-CG1 4.34Å; E404-I406 PolarHBondContact O-N 2.87Å; I406-P507 HydrophobicContact CG1-CG 4.27Å | ||
| 407 | Y | 89.6 | Confident | 83.8 | Confident | 20 Ų | 20 | 69 Ų | 69 | 8% | 0.078 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 129.9 | -176.4 | -175.8 | -102.4 | 0 | 0 | 0 | 113.4 | S400 F401 N409 G410 A411 I439 L440 A482 | S400-Y407 CarbonylContact O-C 3.45Å; S400-Y407 VanDerWaalsContact O-CA 3.27Å; S400-Y407 WeakPolarHBondContact O-CA 2.93Å; S400-Y407 VanDerWaalsContact O-CD2 3.23Å; S400-Y407 WeakPolarHBondContact O-CD2 3.18Å; F401-Y407 HydrophobicContact CE1-CD2 4.13Å; F401-Y407 HydrophobicContact CE1-CG 4.48Å; F401-Y407 HydrophobicContact CE2-CD2 4.3Å; F401-Y407 AromaticContact CZ-CD2 3.99Å; F401-Y407 HydrophobicContact CZ-CD2 3.99Å; Y407-N409 HydrophobicContact CE1-CB 4.15Å; Y407-N409 HydrophobicContact CE2-CB 4.21Å; Y407-G410 WeakPolarHBondContact CE1-O 3.32Å; Y407-A411 HydrophobicContact CD1-CB 4.2Å; Y407-I439 HydrophobicContact CD1-CG2 3.86Å; Y407-I439 HydrophobicContact CE1-CG2 3.68Å; Y407-I439 HydrophobicContact CG-CG2 4.48Å; Y407-L440 HydrophobicContact CD2-CD2 4.27Å; Y407-L440 HydrophobicContact CE2-CD1 4.41Å; Y407-L440 HydrophobicContact CE2-CD2 3.93Å; Y407-A482 HydrophobicContact CD1-CB 4.44Å; Y407-A482 HydrophobicContact CD2-CB 3.86Å; Y407-A482 HydrophobicContact CG-CB 3.82Å |
| 408 | Q | 84.1 | Confident | 84.4 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | -105.7 | -26 | -172.3 | -65.1 | -162.9 | -40.5 | 0 | 0 | 115.5 | S400 N402 G410 | S400-Q408 PolarHBondContact O-N 3.26Å; N402-Q408 HydrophobicContact CB-CG 4.24Å; Q408-G410 PolarHBondContact O-N 2.85Å | ||
| 409 | N | 76.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -77.7 | 38 | -166 | -77.8 | -16.3 | 0 | 0 | 0 | 114.5 | S400 Y407 | S400-N409 WeakPolarHBondContact CA-ND2 3.48Å; S400-N409 PolarHBondContact OG-ND2 3.21Å; Y407-N409 HydrophobicContact CE1-CB 4.15Å; Y407-N409 HydrophobicContact CE2-CB 4.21Å |
| 410 | G | 65.1 | Low | 86.2 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | trans | 72.8 | 99.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y407 Q408 E412 | Y407-G410 WeakPolarHBondContact CE1-O 3.32Å; Q408-G410 PolarHBondContact O-N 2.85Å; G410-E412 PolarHBondContact O-N 3.01Å | ||
| 411 | A | 64.7 | Low | 86.6 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 51% | 0.512 | 30% | 0.3 | S | S | . | . | trans | -70.8 | 40.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y407 I439 | Y407-A411 HydrophobicContact CD1-CB 4.2Å; A411-I439 HydrophobicContact CB-CD1 4.23Å | ||
| 412 | E | 82.2 | Confident | 86.9 | Confident | 145 Ų | 145 | 58.4 Ų | 58.4 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 129.9 | 173.7 | -62.8 | -171.3 | -173.2 | 0 | 0 | 109.6 | N394 G410 | N394-E412 PolarHBondContact ND2-O 2.65Å; G410-E412 PolarHBondContact O-N 3.01Å |
| 413 | Y | 92 | Very high | 87 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 139.7 | 172.5 | -68.5 | -93.9 | 0 | 0 | 0 | 110.5 | N415 F438 I439 L483 | Y413-N415 PolarHBondContact O-N 2.66Å; Y413-N415 VanDerWaalsContact O-N 3.11Å; Y413-F438 CarbonylContact C-O 3.59Å; Y413-F438 WeakPolarHBondContact CA-O 3.2Å; Y413-I439 HydrophobicContact CD1-CG1 4.01Å; Y413-I439 HydrophobicContact CE1-CG1 4.21Å; Y413-I439 HydrophobicContact CG-CG1 4.28Å; Y413-L483 HydrophobicContact CE1-CD1 4.15Å; Y413-L483 HydrophobicContact CE1-CD2 4.29Å |
| 414 | I | 91.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 117 | -178.8 | -63.3 | 160.9 | 0 | 0 | 0 | 109.7 | R391 N394 T416 T418 N436 F438 I439 P441 | R391-I414 WeakPolarHBondContact O-CD1 3.45Å; N394-I414 HydrophobicContact CB-CG1 4.26Å; I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.49Å; I414-T416 PolarHBondContact O-N 3.27Å; I414-T418 HydrophobicContact CB-CG2 3.76Å; I414-T418 HydrophobicContact CD1-CG2 3.75Å; I414-T418 HydrophobicContact CG1-CG2 4.37Å; I414-T418 HydrophobicContact CG2-CG2 3.45Å; I414-T418 VanDerWaalsContact CG2-CG2 3.45Å; I414-N436 WeakPolarHBondContact O-CA 3.35Å; I414-N436 PolarHBondContact O-N 3.15Å; I414-F438 PolarHBondContact N-O 2.61Å; I414-I439 WeakPolarHBondContact CD1-O 3.34Å; I414-P441 HydrophobicContact CD1-CG 4.02Å |
| 415 | N | 90 | Very high | 87.1 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | trans | -88.3 | 7 | -171.6 | 70.6 | 19.9 | 0 | 0 | 0 | 114.8 | Y413 R435 N436 | Y413-N415 PolarHBondContact O-N 2.66Å; Y413-N415 VanDerWaalsContact O-N 3.11Å; N415-R435 PolarHBondContact O-NE 3.3Å; N415-R435 PolarHBondContact O-NH2 2.79Å; N415-N436 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 416 | T | 90.7 | Very high | 86.8 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -109.4 | 164.1 | 170.8 | 52 | 0 | 0 | 0 | 0 | 110.4 | L367 I414 T418 R435 | L367-T416 HydrophobicContact CD2-CG2 4.3Å; I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.49Å; I414-T416 PolarHBondContact O-N 3.27Å; T416-T418 PolarHBondContact O-N 3.45Å; T416-R435 VanDerWaalsContact O-CA 3.31Å; T416-R435 WeakPolarHBondContact O-CA 3.43Å |
| 417 | E | 92.9 | Very high | 86.4 | Confident | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | trans | -66.9 | 125.6 | 168.7 | -58.6 | 88.8 | 164.9 | 0 | 0 | 109.9 | H390 K432 W433 R435 | H390-E417 PolarHBondContact CE1-O 2.77Å; H390-E417 PolarHBondContact NE2-O 2.97Å; H390-E417 VanDerWaalsContact NE2-O 3.17Å; E417-K432 HydrophobicContact CB-CB 3.84Å; E417-K432 HydrophobicContact CB-CD 4.01Å; E417-K432 HydrophobicContact CB-CG 4.11Å; E417-K432 HydrophobicContact CG-CB 4.14Å; E417-K432 HydrophobicContact CG-CD 3.84Å; E417-K432 HydrophobicContact CG-CG 3.88Å; E417-K432 WeakPolarHBondContact OE1-CE 3.47Å; E417-K432 IonicContact OE1-NZ 2.74Å; E417-K432 PolarHBondContact OE1-NZ 2.64Å; E417-K432 WeakPolarHBondContact OE2-CE 3.17Å; E417-K432 IonicContact OE2-NZ 2.64Å; E417-K432 PolarHBondContact OE2-NZ 3.27Å; E417-W433 CarbonylContact C-O 3.56Å; E417-W433 WeakPolarHBondContact CA-O 3.23Å; E417-W433 WeakPolarHBondContact CB-O 3.43Å; E417-R435 HydrophobicContact CG-CB 4.33Å | ||
| 418 | T | 94.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -96.7 | -19.9 | -174.4 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | H390 I414 T416 W433 G434 F438 | H390-T418 PolarHBondContact N-O 3.47Å; I414-T418 HydrophobicContact CB-CG2 3.76Å; I414-T418 HydrophobicContact CD1-CG2 3.75Å; I414-T418 HydrophobicContact CG1-CG2 4.37Å; I414-T418 HydrophobicContact CG2-CG2 3.45Å; I414-T418 VanDerWaalsContact CG2-CG2 3.45Å; T416-T418 PolarHBondContact O-N 3.45Å; T418-W433 PolarHBondContact N-O 2.85Å; T418-G434 WeakPolarHBondContact OG1-CA 3.31Å; T418-G434 PolarHBondContact OG1-O 3.06Å; T418-F438 HydrophobicContact CG2-CD2 4.36Å; T418-F438 VanDerWaalsContact OG1-CD2 3.3Å; T418-F438 WeakPolarHBondContact OG1-CD2 3.05Å | ||
| 419 | V | 95.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.1 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | I387 V388 L389 K432 W433 I444 I478 | I387-V419 HydrophobicContact CG2-CG1 3.71Å; V388-V419 WeakPolarHBondContact O-CA 2.89Å; L389-V419 HydrophobicContact CD1-CG2 3.8Å; V419-K432 VanDerWaalsContact O-CA 3.31Å; V419-K432 WeakPolarHBondContact O-CA 3.32Å; V419-W433 HydrophobicContact CB-CD2 4.02Å; V419-W433 HydrophobicContact CB-CG 4.25Å; V419-W433 HydrophobicContact CB-CZ2 3.94Å; V419-W433 HydrophobicContact CG1-CZ2 3.75Å; V419-W433 VanDerWaalsContact CG1-NE1 3.27Å; V419-W433 HydrophobicContact CG2-CD2 4.27Å; V419-W433 HydrophobicContact CG2-CH2 4.14Å; V419-W433 HydrophobicContact CG2-CZ2 3.85Å; V419-W433 HydrophobicContact CG2-CZ3 4.46Å; V419-W433 PolarHBondContact N-O 2.87Å; V419-W433 PolarHBondContact O-N 2.9Å; V419-I444 HydrophobicContact CG1-CD1 3.71Å; V419-I444 HydrophobicContact CG2-CD1 4.33Å; V419-I478 HydrophobicContact CG2-CD1 3.82Å |
| 420 | L | 94.4 | Very high | 87.1 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.1 | -177.9 | -51.7 | -178.5 | 0 | 0 | 0 | 110.1 | L368 I387 V388 V422 V429 K432 | L368-L420 HydrophobicContact CD2-CD1 4.05Å; I387-L420 CarbonylContact C-O 3.33Å; I387-L420 WeakPolarHBondContact CA-O 3.19Å; V388-L420 PolarHBondContact N-O 2.88Å; V388-L420 PolarHBondContact O-N 3.26Å; L420-V422 HydrophobicContact CB-CG2 3.79Å; L420-V429 HydrophobicContact CB-CG1 4.35Å; L420-V429 HydrophobicContact CD1-CG2 4.33Å; L420-V429 HydrophobicContact CD2-CG1 4.27Å; L420-K432 HydrophobicContact CD2-CB 3.7Å |
| 421 | H | 94.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123 | 165.6 | -63.4 | -147.6 | 0 | 0 | 0 | 106.4 | E385 L386 I387 V429 T430 Q431 W433 W491 | E385-H421 IonicContact OE1-CG 3.62Å; E385-H421 IonicContact OE1-ND1 3.05Å; E385-H421 PolarHBondContact OE1-ND1 2.9Å; L386-H421 CarbonylContact O-C 3.41Å; L386-H421 WeakPolarHBondContact O-CA 3.48Å; I387-H421 HydrophobicContact CD1-CB 4.15Å; H421-V429 CarbonylContact O-C 2.99Å; H421-V429 VanDerWaalsContact O-CA 3.3Å; H421-V429 WeakPolarHBondContact O-CA 3.46Å; H421-T430 WeakPolarHBondContact CB-OG1 3.39Å; H421-T430 PolarHBondContact O-N 3.19Å; H421-T430 PolarHBondContact O-OG1 3.24Å; H421-Q431 HydrophobicContact CB-CB 3.95Å; H421-Q431 PolarHBondContact N-O 2.83Å; H421-W433 AromaticContact CD2-NE1 3.85Å; H421-W433 AromaticContact NE2-CD1 3.8Å; H421-W433 AromaticContact NE2-NE1 3.36Å; H421-W433 PolarHBondContact NE2-NE1 2.85Å; H421-W491 AromaticContact CE1-CH2 3.73Å |
| 422 | V | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.8 | -166 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | I361 L362 E385 L386 V388 L420 P424 V429 | I361-V422 HydrophobicContact CG2-CG1 4.09Å; L362-V422 HydrophobicContact CD1-CG2 4.38Å; L362-V422 HydrophobicContact CD2-CG1 3.92Å; L362-V422 HydrophobicContact CD2-CG2 4.19Å; L362-V422 HydrophobicContact CG-CG1 4.37Å; E385-V422 WeakPolarHBondContact CB-O 3.05Å; L386-V422 HydrophobicContact CB-CB 4.37Å; L386-V422 PolarHBondContact N-O 2.99Å; L386-V422 PolarHBondContact O-N 2.95Å; V388-V422 HydrophobicContact CG2-CG2 4.18Å; L420-V422 HydrophobicContact CB-CG2 3.79Å; V422-P424 WeakPolarHBondContact O-CD 3.32Å; V422-V429 HydrophobicContact CG2-CG2 4.37Å |
| 423 | N | 89.6 | Confident | 90.3 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | trans | -74.3 | 117.2 | 172.6 | 179.4 | -78.3 | 0 | 0 | 0 | 110.5 | F425 T426 G427 N428 T430 | N423-F425 PolarHBondContact O-N 2.91Å; N423-F425 VanDerWaalsContact O-N 3.16Å; N423-F425 PolarHBondContact OD1-N 2.86Å; N423-T426 WeakPolarHBondContact CB-OG1 2.87Å; N423-T426 VanDerWaalsContact CG-OG1 3.24Å; N423-T426 PolarHBondContact O-N 2.82Å; N423-T426 PolarHBondContact OD1-N 2.88Å; N423-T426 PolarHBondContact OD1-OG1 2.86Å; N423-G427 WeakPolarHBondContact O-CA 3.45Å; N423-G427 PolarHBondContact O-N 2.64Å; N423-N428 PolarHBondContact N-O 2.81Å; N423-T430 HydrophobicContact CB-CG2 4.46Å | ||
| 424 | P | 87.2 | Confident | 90.5 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.3 | -171.2 | 23 | -33.9 | 0 | 0 | 0 | 114.6 | I361 H384 L386 V422 Y747 | I361-P424 HydrophobicContact CD1-CB 4.25Å; H384-P424 VanDerWaalsContact O-CD 3.29Å; H384-P424 WeakPolarHBondContact O-CD 3.45Å; H384-P424 WeakPolarHBondContact O-CG 3.26Å; L386-P424 HydrophobicContact CD1-CB 4.21Å; L386-P424 HydrophobicContact CD2-CB 4.42Å; L386-P424 HydrophobicContact CG-CB 4.03Å; V422-P424 WeakPolarHBondContact O-CD 3.32Å; P424-Y747 HydrophobicContact CB-CE1 4.29Å; P424-Y747 WeakPolarHBondContact CB-OH 3.13Å |
| 425 | F | 83.1 | Confident | 90.6 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 55% | 0.548 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -26.3 | -178.4 | -56.6 | -78.5 | 0 | 0 | 0 | 113.1 | H384 N423 | H384-F425 AromaticContact CE1-CZ 3.81Å; N423-F425 PolarHBondContact O-N 2.91Å; N423-F425 VanDerWaalsContact O-N 3.16Å; N423-F425 PolarHBondContact OD1-N 2.86Å |
| 426 | T | 82.5 | Confident | 90.7 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -14 | -176 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | N423 N428 | N423-T426 WeakPolarHBondContact CB-OG1 2.87Å; N423-T426 VanDerWaalsContact CG-OG1 3.24Å; N423-T426 PolarHBondContact O-N 2.82Å; N423-T426 PolarHBondContact OD1-N 2.88Å; N423-T426 PolarHBondContact OD1-OG1 2.86Å; T426-N428 PolarHBondContact O-N 3.04Å |
| 427 | G | 82.3 | Confident | 90.9 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | trans | 70.7 | -0.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I361 N423 | I361-G427 WeakPolarHBondContact O-CA 3.32Å; N423-G427 WeakPolarHBondContact O-CA 3.45Å; N423-G427 PolarHBondContact O-N 2.64Å | ||
| 428 | N | 86.1 | Confident | 91.1 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | trans | -72.4 | 131.4 | -177.4 | -73.3 | -30.3 | 0 | 0 | 0 | 111.6 | N423 T426 T430 | N423-N428 PolarHBondContact N-O 2.81Å; T426-N428 PolarHBondContact O-N 3.04Å; N428-T430 PolarHBondContact O-N 3.29Å | ||
| 429 | V | 88.6 | Confident | 91.1 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.9 | 171 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | V365 L420 H421 V422 Q431 K432 | V365-V429 HydrophobicContact CG2-CG2 4.48Å; L420-V429 HydrophobicContact CB-CG1 4.35Å; L420-V429 HydrophobicContact CD1-CG2 4.33Å; L420-V429 HydrophobicContact CD2-CG1 4.27Å; H421-V429 CarbonylContact O-C 2.99Å; H421-V429 VanDerWaalsContact O-CA 3.3Å; H421-V429 WeakPolarHBondContact O-CA 3.46Å; V422-V429 HydrophobicContact CG2-CG2 4.37Å; V429-Q431 WeakPolarHBondContact CG1-O 3.36Å; V429-K432 HydrophobicContact CG1-CB 4.19Å |
| 430 | T | 89.1 | Confident | 91 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -36 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | H421 N423 N428 | H421-T430 WeakPolarHBondContact CB-OG1 3.39Å; H421-T430 PolarHBondContact O-N 3.19Å; H421-T430 PolarHBondContact O-OG1 3.24Å; N423-T430 HydrophobicContact CB-CG2 4.46Å; N428-T430 PolarHBondContact O-N 3.29Å |
| 431 | Q | 91.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.8 | 178.3 | -178.7 | 170.3 | 6.3 | 0 | 0 | 109.5 | H421 V429 | H421-Q431 HydrophobicContact CB-CB 3.95Å; H421-Q431 PolarHBondContact N-O 2.83Å; V429-Q431 WeakPolarHBondContact CG1-O 3.36Å |
| 432 | K | 93 | Very high | 91.2 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 145.3 | 176.8 | 59.1 | 172.8 | -168.1 | 154.4 | 0 | 111.5 | E417 V419 L420 V429 | E417-K432 HydrophobicContact CB-CB 3.84Å; E417-K432 HydrophobicContact CB-CD 4.01Å; E417-K432 HydrophobicContact CB-CG 4.11Å; E417-K432 HydrophobicContact CG-CB 4.14Å; E417-K432 HydrophobicContact CG-CD 3.84Å; E417-K432 HydrophobicContact CG-CG 3.88Å; E417-K432 WeakPolarHBondContact OE1-CE 3.47Å; E417-K432 IonicContact OE1-NZ 2.74Å; E417-K432 PolarHBondContact OE1-NZ 2.64Å; E417-K432 WeakPolarHBondContact OE2-CE 3.17Å; E417-K432 IonicContact OE2-NZ 2.64Å; E417-K432 PolarHBondContact OE2-NZ 3.27Å; V419-K432 VanDerWaalsContact O-CA 3.31Å; V419-K432 WeakPolarHBondContact O-CA 3.32Å; L420-K432 HydrophobicContact CD2-CB 3.7Å; V429-K432 HydrophobicContact CG1-CB 4.19Å |
| 433 | W | 95.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | -172.9 | -178.5 | 64.2 | -76.4 | 0 | 0 | 0 | 111.5 | E417 T418 V419 H421 M437 V476 I478 F489 W494 | E417-W433 CarbonylContact C-O 3.56Å; E417-W433 WeakPolarHBondContact CA-O 3.23Å; E417-W433 WeakPolarHBondContact CB-O 3.43Å; T418-W433 PolarHBondContact N-O 2.85Å; V419-W433 HydrophobicContact CB-CD2 4.02Å; V419-W433 HydrophobicContact CB-CG 4.25Å; V419-W433 HydrophobicContact CB-CZ2 3.94Å; V419-W433 HydrophobicContact CG1-CZ2 3.75Å; V419-W433 VanDerWaalsContact CG1-NE1 3.27Å; V419-W433 HydrophobicContact CG2-CD2 4.27Å; V419-W433 HydrophobicContact CG2-CH2 4.14Å; V419-W433 HydrophobicContact CG2-CZ2 3.85Å; V419-W433 HydrophobicContact CG2-CZ3 4.46Å; V419-W433 PolarHBondContact N-O 2.87Å; V419-W433 PolarHBondContact O-N 2.9Å; H421-W433 AromaticContact CD2-NE1 3.85Å; H421-W433 AromaticContact NE2-CD1 3.8Å; H421-W433 AromaticContact NE2-NE1 3.36Å; H421-W433 PolarHBondContact NE2-NE1 2.85Å; W433-M437 HydrophobicContact CE3-SD 4.47Å; W433-V476 HydrophobicContact CH2-CG1 4.35Å; W433-V476 HydrophobicContact CZ2-CG1 4.2Å; W433-I478 HydrophobicContact CH2-CD1 3.68Å; W433-I478 HydrophobicContact CZ2-CD1 4.33Å; W433-I478 HydrophobicContact CZ3-CD1 4.33Å; W433-F489 HydrophobicContact CH2-CB 4.32Å; W433-F489 HydrophobicContact CH2-CD1 4.46Å; W433-F489 AromaticContact CH2-CD2 3.9Å; W433-F489 HydrophobicContact CH2-CD2 3.9Å; W433-F489 HydrophobicContact CH2-CE2 4.32Å; W433-F489 AromaticContact CH2-CG 3.97Å; W433-F489 HydrophobicContact CH2-CG 3.97Å; W433-F489 AromaticContact CZ3-CD1 3.94Å; W433-F489 HydrophobicContact CZ3-CD1 3.94Å; W433-F489 AromaticContact CZ3-CD2 3.99Å; W433-F489 HydrophobicContact CZ3-CD2 3.99Å; W433-F489 HydrophobicContact CZ3-CE1 4.03Å; W433-F489 HydrophobicContact CZ3-CE2 4.09Å; W433-F489 AromaticContact CZ3-CG 3.91Å; W433-F489 HydrophobicContact CZ3-CG 3.91Å; W433-F489 HydrophobicContact CZ3-CZ 4.11Å; W433-W494 HydrophobicContact CB-CB 4.08Å; W433-W494 HydrophobicContact CB-CG 4.03Å; W433-W494 HydrophobicContact CD2-CB 3.92Å; W433-W494 AromaticContact CD2-CD2 3.73Å; W433-W494 HydrophobicContact CD2-CD2 3.73Å; W433-W494 HydrophobicContact CD2-CE3 4.02Å; W433-W494 AromaticContact CD2-CG 3.68Å; W433-W494 HydrophobicContact CD2-CG 3.68Å; W433-W494 AromaticContact CE2-CD2 3.8Å; W433-W494 AromaticContact CE2-CE3 3.83Å; W433-W494 HydrophobicContact CE3-CB 3.69Å; W433-W494 HydrophobicContact CE3-CD2 4.07Å; W433-W494 HydrophobicContact CE3-CE3 4.07Å; W433-W494 AromaticContact CE3-CG 3.93Å; W433-W494 HydrophobicContact CE3-CG 3.93Å; W433-W494 HydrophobicContact CG-CB 4.12Å; W433-W494 AromaticContact CG-CD1 3.81Å; W433-W494 HydrophobicContact CG-CD2 4.1Å; W433-W494 AromaticContact CG-CG 3.74Å; W433-W494 HydrophobicContact CG-CG 3.74Å; W433-W494 HydrophobicContact CH2-CD2 4.5Å; W433-W494 AromaticContact CH2-CE3 3.8Å; W433-W494 HydrophobicContact CH2-CE3 3.8Å; W433-W494 HydrophobicContact CH2-CZ3 4.11Å; W433-W494 HydrophobicContact CZ2-CD2 4.2Å; W433-W494 AromaticContact CZ2-CE3 3.73Å; W433-W494 HydrophobicContact CZ2-CE3 3.73Å; W433-W494 HydrophobicContact CZ2-CH2 4.36Å; W433-W494 AromaticContact CZ2-CZ3 3.83Å; W433-W494 HydrophobicContact CZ2-CZ3 3.83Å; W433-W494 HydrophobicContact CZ3-CB 4.43Å; W433-W494 HydrophobicContact CZ3-CD2 4.44Å; W433-W494 AromaticContact CZ3-CE3 3.97Å; W433-W494 HydrophobicContact CZ3-CE3 3.97Å |
| 434 | G | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | 93 | 5.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T418 M437 | T418-G434 WeakPolarHBondContact OG1-CA 3.31Å; T418-G434 PolarHBondContact OG1-O 3.06Å; G434-M437 PolarHBondContact O-N 2.75Å | ||
| 435 | R | 93.4 | Very high | 92.4 | Very high | 135 Ų | 135 | 46.2 Ų | 46.2 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 132.4 | -179.7 | -175.1 | 178.7 | -169.1 | -109.4 | -8.3 | 112.3 | N415 T416 E417 M437 | N415-R435 PolarHBondContact O-NE 3.3Å; N415-R435 PolarHBondContact O-NH2 2.79Å; T416-R435 VanDerWaalsContact O-CA 3.31Å; T416-R435 WeakPolarHBondContact O-CA 3.43Å; E417-R435 HydrophobicContact CG-CB 4.33Å; R435-M437 PolarHBondContact O-N 2.98Å |
| 436 | N | 93.8 | Very high | 93 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 25.7 | -178.5 | -57.2 | -16.8 | 0 | 0 | 0 | 114.3 | I414 N415 | I414-N436 WeakPolarHBondContact O-CA 3.35Å; I414-N436 PolarHBondContact O-N 3.15Å; N415-N436 WeakPolarHBondContact CA-OD1 3.39Å |
| 437 | M | 95.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -26.1 | -177.4 | -66.3 | 171.3 | -174.1 | 0 | 0 | 114.1 | W433 G434 R435 F489 W494 | W433-M437 HydrophobicContact CE3-SD 4.47Å; G434-M437 PolarHBondContact O-N 2.75Å; R435-M437 PolarHBondContact O-N 2.98Å; M437-F489 HydrophobicContact SD-CE1 4.16Å; M437-F489 HydrophobicContact SD-CZ 4.3Å; M437-W494 WeakPolarHBondContact CE-O 3.27Å |
| 438 | F | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | trans | -129.6 | 156.3 | -171.2 | -49.1 | -71.2 | 0 | 0 | 0 | 111 | Y413 I414 T418 P441 I478 D480 F487 F489 | Y413-F438 CarbonylContact C-O 3.59Å; Y413-F438 WeakPolarHBondContact CA-O 3.2Å; I414-F438 PolarHBondContact N-O 2.61Å; T418-F438 HydrophobicContact CG2-CD2 4.36Å; T418-F438 VanDerWaalsContact OG1-CD2 3.3Å; T418-F438 WeakPolarHBondContact OG1-CD2 3.05Å; F438-P441 HydrophobicContact CB-CB 4.15Å; F438-P441 HydrophobicContact CB-CG 4.09Å; F438-P441 HydrophobicContact CG-CB 4.34Å; F438-I478 HydrophobicContact CD1-CG2 4.18Å; F438-I478 HydrophobicContact CE1-CB 4.22Å; F438-I478 HydrophobicContact CE1-CD1 4.24Å; F438-I478 HydrophobicContact CE1-CG2 3.79Å; F438-I478 HydrophobicContact CE2-CD1 4.12Å; F438-I478 HydrophobicContact CZ-CB 4.43Å; F438-I478 HydrophobicContact CZ-CD1 3.59Å; F438-I478 HydrophobicContact CZ-CG2 4.18Å; F438-D480 WeakPolarHBondContact CA-OD2 3.47Å; F438-D480 WeakPolarHBondContact CB-OD2 3.44Å; F438-F487 HydrophobicContact CD1-CD2 4.14Å; F438-F487 HydrophobicContact CD1-CE2 4.13Å; F438-F487 AromaticContact CE1-CD2 3.78Å; F438-F487 HydrophobicContact CE1-CD2 3.78Å; F438-F487 HydrophobicContact CE1-CE2 4.2Å; F438-F487 HydrophobicContact CE1-CG 4.34Å; F438-F489 HydrophobicContact CE1-CE2 4.14Å; F438-F489 HydrophobicContact CE1-CZ 4.31Å; F438-F489 AromaticContact CZ-CE2 3.76Å; F438-F489 HydrophobicContact CZ-CE2 3.76Å; F438-F489 AromaticContact CZ-CZ 3.84Å; F438-F489 HydrophobicContact CZ-CZ 3.84Å | ||
| 439 | I | 95 | Very high | 94.2 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -109.4 | -49.5 | 173.1 | -60.9 | -179.9 | 0 | 0 | 0 | 109.8 | N394 Y407 A411 Y413 I414 D480 A482 L483 | N394-I439 PolarHBondContact ND2-O 2.84Å; Y407-I439 HydrophobicContact CD1-CG2 3.86Å; Y407-I439 HydrophobicContact CE1-CG2 3.68Å; Y407-I439 HydrophobicContact CG-CG2 4.48Å; A411-I439 HydrophobicContact CB-CD1 4.23Å; Y413-I439 HydrophobicContact CD1-CG1 4.01Å; Y413-I439 HydrophobicContact CE1-CG1 4.21Å; Y413-I439 HydrophobicContact CG-CG1 4.28Å; I414-I439 WeakPolarHBondContact CD1-O 3.34Å; I439-D480 PolarHBondContact N-OD2 2.87Å; I439-A482 HydrophobicContact CB-CB 3.99Å; I439-A482 HydrophobicContact CG2-CB 3.71Å; I439-L483 HydrophobicContact CB-CG 4.43Å; I439-L483 HydrophobicContact CD1-CD2 3.57Å; I439-L483 HydrophobicContact CD1-CG 4.09Å; I439-L483 HydrophobicContact CG1-CD1 4.49Å; I439-L483 HydrophobicContact CG1-CD2 4.09Å; I439-L483 HydrophobicContact CG1-CG 4.15Å |
| 440 | L | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -142.9 | 73.9 | 179.6 | -151.8 | 68.1 | 0 | 0 | 0 | 110 | R391 N394 W396 F401 Y407 D480 V481 A482 | R391-L440 HydrophobicContact CG-CD1 4.43Å; N394-L440 HydrophobicContact CB-CD1 4.2Å; W396-L440 HydrophobicContact CB-CD1 4.32Å; W396-L440 HydrophobicContact CB-CD2 3.86Å; W396-L440 HydrophobicContact CB-CG 4.39Å; W396-L440 HydrophobicContact CD2-CD2 4.07Å; W396-L440 HydrophobicContact CG-CD2 3.72Å; F401-L440 HydrophobicContact CE2-CD2 3.91Å; F401-L440 HydrophobicContact CZ-CD2 4.06Å; Y407-L440 HydrophobicContact CD2-CD2 4.27Å; Y407-L440 HydrophobicContact CE2-CD1 4.41Å; Y407-L440 HydrophobicContact CE2-CD2 3.93Å; L440-D480 PolarHBondContact N-OD1 2.87Å; L440-D480 PolarHBondContact N-OD2 2.8Å; L440-V481 HydrophobicContact CB-CG2 3.98Å; L440-V481 HydrophobicContact CD2-CG2 3.75Å; L440-V481 HydrophobicContact CG-CG2 3.99Å; L440-V481 WeakPolarHBondContact O-CG2 3.38Å; L440-V481 PolarHBondContact O-N 3.41Å; L440-A482 HydrophobicContact CB-CB 3.48Å; L440-A482 VanDerWaalsContact CB-CB 3.48Å; L440-A482 HydrophobicContact CD2-CB 4.48Å |
| 441 | P | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 148.1 | -179.4 | 28.4 | -34.6 | 0 | 0 | 0 | 111.5 | S372 L389 R391 I414 F438 I478 T479 | S372-P441 PolarHBondContact OG-O 2.71Å; L389-P441 HydrophobicContact CD1-CB 3.86Å; L389-P441 HydrophobicContact CD1-CG 4.27Å; L389-P441 HydrophobicContact CD2-CB 4.01Å; L389-P441 HydrophobicContact CG-CB 4.07Å; R391-P441 HydrophobicContact CG-CG 4.27Å; R391-P441 WeakPolarHBondContact CG-O 3.12Å; R391-P441 PolarHBondContact NE-O 2.81Å; I414-P441 HydrophobicContact CD1-CG 4.02Å; F438-P441 HydrophobicContact CB-CB 4.15Å; F438-P441 HydrophobicContact CB-CG 4.09Å; F438-P441 HydrophobicContact CG-CB 4.34Å; P441-I478 HydrophobicContact CB-CG2 4.32Å; P441-T479 WeakPolarHBondContact CA-O 3.39Å |
| 442 | H | 95.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -81.6 | -172.2 | -167 | -86.5 | 0 | 0 | 0 | 112.7 | S372 S373 L389 R391 W396 T479 V481 S518 Y534 H735 | S372-H442 CarbonylContact C-O 3.53Å; S372-H442 WeakPolarHBondContact CB-O 3.41Å; S372-H442 PolarHBondContact OG-O 2.91Å; S373-H442 VanDerWaalsContact CB-O 3.31Å; S373-H442 WeakPolarHBondContact CB-O 3.33Å; L389-H442 WeakPolarHBondContact CD2-O 3.48Å; R391-H442 PolarHBondContact NH2-CD2 2.87Å; R391-H442 VanDerWaalsContact NH2-CD2 3.32Å; W396-H442 AromaticContact CZ3-CD2 3.59Å; W396-H442 AromaticContact CZ3-NE2 3.86Å; H442-T479 WeakPolarHBondContact CB-OG1 3.48Å; H442-T479 PolarHBondContact N-O 2.84Å; H442-V481 HydrophobicContact CB-CG1 3.96Å; H442-S518 PolarHBondContact ND1-O 2.94Å; H442-Y534 AromaticContact NE2-CE2 3.83Å; H442-Y534 AromaticContact NE2-CZ 3.91Å; H442-Y534 PolarHBondContact NE2-OH 3.23Å; H442-Y534 VanDerWaalsContact NE2-OH 3.08Å; H442-H735 AromaticContact CE1-CE1 3.49Å; H442-H735 PolarHBondContact CE1-CE1 2.82Å; H442-H735 VanDerWaalsContact CE1-CE1 3.49Å; H442-H735 AromaticContact CE1-NE2 3.77Å; H442-H735 AromaticContact NE2-CE1 3.35Å; H442-H735 PolarHBondContact NE2-CE1 2.92Å; H442-H735 AromaticContact NE2-NE2 3.27Å; H442-H735 PolarHBondContact NE2-NE2 2.76Å |
| 443 | S | 97.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 149.3 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 112 | L389 I478 T479 S518 D519 | L389-S443 VanDerWaalsContact CD2-C 3.44Å; L389-S443 WeakPolarHBondContact CD2-O 3.23Å; S443-I478 WeakPolarHBondContact O-CA 3.33Å; S443-T479 WeakPolarHBondContact CB-OG1 3.36Å; S443-T479 PolarHBondContact N-OG1 3.08Å; S443-T479 PolarHBondContact O-N 2.9Å; S443-T479 VanDerWaalsContact O-N 3.15Å; S443-S518 WeakPolarHBondContact CB-O 3.48Å; S443-D519 VanDerWaalsContact CB-OD1 3.23Å; S443-D519 WeakPolarHBondContact CB-OD1 3.2Å; S443-D519 PolarHBondContact OG-OD1 3.01Å |
| 444 | I | 98.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.4 | 161.2 | -175 | 155.1 | 0 | 0 | 0 | 109.4 | S373 E375 I387 L389 V419 V476 W477 I478 | S373-I444 WeakPolarHBondContact OG-CG2 3.48Å; S373-I444 PolarHBondContact OG-N 2.84Å; S373-I444 PolarHBondContact OG-O 2.77Å; E375-I444 HydrophobicContact CG-CG2 4.42Å; E375-I444 WeakPolarHBondContact CG-O 3.12Å; I387-I444 HydrophobicContact CG2-CD1 3.6Å; I387-I444 HydrophobicContact CG2-CG1 4.45Å; L389-I444 HydrophobicContact CB-CB 4.09Å; L389-I444 HydrophobicContact CB-CG2 3.74Å; L389-I444 HydrophobicContact CD2-CB 3.96Å; L389-I444 HydrophobicContact CD2-CG2 4.36Å; V419-I444 HydrophobicContact CG1-CD1 3.71Å; V419-I444 HydrophobicContact CG2-CD1 4.33Å; I444-V476 HydrophobicContact CD1-CG1 3.54Å; I444-V476 HydrophobicContact CG1-CG1 3.57Å; I444-W477 CarbonylContact C-O 3.59Å; I444-W477 WeakPolarHBondContact CA-O 3.46Å; I444-I478 HydrophobicContact CB-CG1 4.34Å; I444-I478 HydrophobicContact CD1-CD1 4.08Å; I444-I478 HydrophobicContact CD1-CG1 4.06Å; I444-I478 HydrophobicContact CG1-CG1 4.06Å |
| 445 | T | 97.9 | Very high | 87.6 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.8 | -179.1 | -34.9 | 0 | 0 | 0 | 0 | 110.8 | W477 V520 I522 | T445-W477 PolarHBondContact N-O 3.34Å; T445-W477 PolarHBondContact O-N 3.09Å; T445-V520 WeakPolarHBondContact CG2-O 3.46Å; T445-V520 WeakPolarHBondContact OG1-CG1 3.48Å; T445-V520 PolarHBondContact OG1-O 3.29Å; T445-I522 HydrophobicContact CG2-CD1 4.49Å |
| 446 | L | 96.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.4 | 176.1 | -59.6 | -176.2 | 0 | 0 | 0 | 111.4 | E375 T376 R377 I387 Y448 P473 V476 W491 | E375-L446 HydrophobicContact CB-CD1 4.11Å; E375-L446 HydrophobicContact CB-CG 4Å; E375-L446 HydrophobicContact CG-CG 4.21Å; E375-L446 PolarHBondContact OE1-N 3.42Å; E375-L446 VanDerWaalsContact OE1-N 3.15Å; T376-L446 WeakPolarHBondContact O-CD1 3.42Å; R377-L446 HydrophobicContact CB-CD1 3.88Å; I387-L446 HydrophobicContact CG1-CD1 4.09Å; I387-L446 HydrophobicContact CG1-CD2 4.46Å; L446-Y448 HydrophobicContact CB-CE2 4.14Å; L446-P473 HydrophobicContact CD1-CG 4.3Å; L446-V476 HydrophobicContact CD2-CB 4.48Å; L446-V476 HydrophobicContact CD2-CG1 4.32Å; L446-V476 HydrophobicContact CD2-CG2 3.84Å; L446-W491 HydrophobicContact CD2-CZ3 4.06Å |
| 447 | S | 94.4 | Very high | 85.5 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.6 | 172.1 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | F449 P473 T474 S475 | S447-F449 PolarHBondContact OG-N 3.01Å; S447-P473 WeakPolarHBondContact O-CA 3.28Å; S447-T474 PolarHBondContact O-N 3.06Å; S447-T474 PolarHBondContact O-OG1 2.72Å; S447-T474 VanDerWaalsContact O-OG1 3.09Å; S447-S475 PolarHBondContact N-O 2.89Å; S447-S475 PolarHBondContact O-N 3Å |
| 448 | Y | 91.4 | Very high | 84.6 | Confident | 105 Ų | 105 | 45 Ų | 45 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | trans | -112.5 | 4.6 | 171.5 | -61.1 | -93.9 | 0 | 0 | 0 | 111.9 | L446 G471 P473 | L446-Y448 HydrophobicContact CB-CE2 4.14Å; Y448-G471 WeakPolarHBondContact CE1-O 3.21Å; Y448-P473 HydrophobicContact CD1-CB 4.44Å; Y448-P473 HydrophobicContact CD1-CG 4.43Å; Y448-P473 HydrophobicContact CE1-CB 4.15Å; Y448-P473 HydrophobicContact CE1-CG 3.68Å | ||
| 449 | F | 89.8 | Confident | 83.8 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | trans | -66.6 | 138.3 | -180 | 177.4 | -101.7 | 0 | 0 | 0 | 111.3 | S447 D451 T474 I522 T525 G526 | S447-F449 PolarHBondContact OG-N 3.01Å; F449-D451 HydrophobicContact CE1-CB 3.92Å; F449-T474 WeakPolarHBondContact O-CB 3.08Å; F449-T474 WeakPolarHBondContact O-CG2 3.01Å; F449-T474 PolarHBondContact O-OG1 3.27Å; F449-I522 HydrophobicContact CB-CG2 4.03Å; F449-T525 VanDerWaalsContact CE2-O 3.31Å; F449-T525 WeakPolarHBondContact CE2-O 3.38Å; F449-T525 VanDerWaalsContact CZ-O 3.26Å; F449-T525 WeakPolarHBondContact CZ-O 3.24Å; F449-G526 VanDerWaalsContact CE2-CA 3.48Å; F449-G526 VanDerWaalsContact CE2-N 3.32Å; F449-G526 VanDerWaalsContact CZ-CA 3.46Å | ||
| 450 | M | 79.2 | Confident | 82.7 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | trans | -123.2 | 109.4 | 177.4 | -71.2 | -177.5 | -177.5 | 0 | 0 | 110.1 | S452 Q464 R467 R468 T474 | M450-S452 PolarHBondContact O-N 3.06Å; M450-S452 VanDerWaalsContact O-N 3.08Å; M450-Q464 VanDerWaalsContact CE-O 3.25Å; M450-Q464 WeakPolarHBondContact CE-O 3.41Å; M450-Q464 HydrophobicContact SD-CB 3.94Å; M450-R467 HydrophobicContact CE-CB 3.85Å; M450-R468 HydrophobicContact CE-CB 3.97Å; M450-R468 HydrophobicContact SD-CB 3.93Å; M450-T474 HydrophobicContact CE-CG2 3.47Å; M450-T474 VanDerWaalsContact CE-CG2 3.47Å; M450-T474 HydrophobicContact CG-CG2 3.54Å; M450-T474 HydrophobicContact SD-CG2 4.43Å | ||
| 451 | D | 75 | Confident | 81.7 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | trans | -67.5 | 108.6 | 170 | -172.3 | -14.9 | 0 | 0 | 0 | 109.8 | F449 N453 A454 | F449-D451 HydrophobicContact CE1-CB 3.92Å; D451-N453 VanDerWaalsContact C-N 3.31Å; D451-N453 WeakPolarHBondContact OD1-CA 3.35Å; D451-N453 WeakPolarHBondContact OD1-CB 3.35Å; D451-N453 PolarHBondContact OD1-N 3.34Å; D451-A454 HydrophobicContact CB-CB 3.84Å; D451-A454 PolarHBondContact OD1-N 3.46Å | ||
| 452 | S | 68.5 | Low | 80.8 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 51% | 0.51 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -76.6 | -16.8 | 177.7 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | M450 R461 | M450-S452 PolarHBondContact O-N 3.06Å; M450-S452 VanDerWaalsContact O-N 3.08Å; S452-R461 PolarHBondContact O-NE 3.47Å; S452-R461 PolarHBondContact O-NH2 3.49Å |
| 453 | N | 66.3 | Low | 79.8 | Confident | 132 Ų | 132 | 69.1 Ų | 69.1 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -92.5 | -26.1 | -179.9 | -66.9 | -25.2 | 0 | 0 | 0 | 112.6 | D451 T455 | D451-N453 VanDerWaalsContact C-N 3.31Å; D451-N453 WeakPolarHBondContact OD1-CA 3.35Å; D451-N453 WeakPolarHBondContact OD1-CB 3.35Å; D451-N453 PolarHBondContact OD1-N 3.34Å; N453-T455 PolarHBondContact O-N 2.74Å |
| 454 | A | 63.5 | Low | 78.7 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -52.8 | -26.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D451 | D451-A454 HydrophobicContact CB-CB 3.84Å; D451-A454 PolarHBondContact OD1-N 3.46Å |
| 455 | T | 63.4 | Low | 77.5 | Confident | 38 Ų | 38 | 77 Ų | 77 | 23% | 0.233 | 40% | 0.395 | C | S | . | . | trans | -142.4 | 138.1 | 177.8 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | N453 L460 | N453-T455 PolarHBondContact O-N 2.74Å; T455-L460 HydrophobicContact CG2-CD2 3.95Å | ||
| 456 | N | 67.4 | Low | 76.4 | Confident | 153 Ų | 153 | 84 Ų | 84 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | trans | -81.2 | 1.9 | 167.1 | -83.8 | -30.9 | 0 | 0 | 0 | 113.2 | N458 | N456-N458 PolarHBondContact O-N 3.12Š| ||
| 457 | D | 75.4 | Confident | 75.3 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 36% | 0.358 | 43% | 0.432 | S | S | . | . | trans | -79.7 | 112 | 179.6 | 178.9 | 14 | 0 | 0 | 0 | 111.6 | N459 L460 R461 | D457-N459 PolarHBondContact O-N 2.77Å; D457-N459 WeakPolarHBondContact OD1-CB 3.47Å; D457-N459 PolarHBondContact OD1-N 3.07Å; D457-L460 HydrophobicContact CB-CB 4.12Å; D457-L460 PolarHBondContact O-N 3.43Å; D457-L460 PolarHBondContact OD2-N 3.15Å; D457-R461 PolarHBondContact O-N 3.15Å | ||
| 458 | N | 76.7 | Confident | 74.1 | Confident | 109 Ų | 109 | 96.1 Ų | 96.1 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.3 | -25.3 | 176.4 | -73.6 | -48.9 | 0 | 0 | 0 | 113.8 | N456 K462 | N456-N458 PolarHBondContact O-N 3.12Å; N458-K462 VanDerWaalsContact O-CG 3.29Å; N458-K462 WeakPolarHBondContact O-CG 3.49Å; N458-K462 PolarHBondContact O-N 3.2Å |
| 459 | N | 79.1 | Confident | 73.2 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 60% | 0.599 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.1 | -45.3 | 176 | -66.3 | -38.4 | 0 | 0 | 0 | 110.8 | D457 R461 K462 E463 | D457-N459 PolarHBondContact O-N 2.77Å; D457-N459 WeakPolarHBondContact OD1-CB 3.47Å; D457-N459 PolarHBondContact OD1-N 3.07Å; N459-R461 PolarHBondContact O-N 3.35Å; N459-K462 PolarHBondContact O-N 3.44Å; N459-E463 PolarHBondContact O-N 3.09Å |
| 460 | L | 72 | Confident | 72.4 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174 | -120.6 | 88.6 | 0 | 0 | 0 | 111.9 | T455 D457 K462 E463 Q464 | T455-L460 HydrophobicContact CG2-CD2 3.95Å; D457-L460 HydrophobicContact CB-CB 4.12Å; D457-L460 PolarHBondContact O-N 3.43Å; D457-L460 PolarHBondContact OD2-N 3.15Å; L460-K462 VanDerWaalsContact C-N 3.33Å; L460-K462 PolarHBondContact O-N 3.18Å; L460-E463 PolarHBondContact O-N 2.89Å; L460-Q464 WeakPolarHBondContact O-CB 3.34Å; L460-Q464 WeakPolarHBondContact O-CG 3.4Å; L460-Q464 PolarHBondContact O-N 2.77Å |
| 461 | R | 72.5 | Confident | 72.4 | Confident | 97 Ų | 97 | 99.7 Ų | 99.7 | 37% | 0.366 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 175.2 | -82.4 | -178.7 | 167.3 | 173.6 | -3 | 113 | S452 D457 N459 Q465 | S452-R461 PolarHBondContact O-NE 3.47Å; S452-R461 PolarHBondContact O-NH2 3.49Å; D457-R461 PolarHBondContact O-N 3.15Å; N459-R461 PolarHBondContact O-N 3.35Å; R461-Q465 WeakPolarHBondContact O-CB 3.4Å; R461-Q465 PolarHBondContact O-N 2.95Å |
| 462 | K | 78.2 | Confident | 73 | Confident | 146 Ų | 146 | 98.3 Ų | 98.3 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 175.6 | -77.4 | 172 | -176.3 | 173.2 | 0 | 112.4 | N458 N459 L460 Q465 R466 | N458-K462 VanDerWaalsContact O-CG 3.29Å; N458-K462 WeakPolarHBondContact O-CG 3.49Å; N458-K462 PolarHBondContact O-N 3.2Å; N459-K462 PolarHBondContact O-N 3.44Å; L460-K462 VanDerWaalsContact C-N 3.33Å; L460-K462 PolarHBondContact O-N 3.18Å; K462-Q465 PolarHBondContact O-N 2.92Å; K462-R466 WeakPolarHBondContact O-CB 3.19Å; K462-R466 PolarHBondContact O-N 2.94Å |
| 463 | E | 74.6 | Confident | 74.1 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.9 | -42.5 | 177.7 | 174.3 | 53.7 | -158.7 | 0 | 0 | 111.8 | N459 L460 Q465 R466 R467 | N459-E463 PolarHBondContact O-N 3.09Å; L460-E463 PolarHBondContact O-N 2.89Å; E463-Q465 PolarHBondContact O-N 2.92Å; E463-R466 WeakPolarHBondContact O-CB 3.2Å; E463-R466 PolarHBondContact O-N 2.85Å; E463-R467 WeakPolarHBondContact O-CG 3.1Å; E463-R467 PolarHBondContact O-N 2.73Å; E463-R467 IonicContact OE1-CZ 3.68Å; E463-R467 IonicContact OE1-NE 2.88Å; E463-R467 PolarHBondContact OE1-NE 3.16Å; E463-R467 IonicContact OE1-NH2 3.56Å |
| 464 | Q | 73.1 | Confident | 75.3 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -55.1 | -50 | 169.9 | -74.7 | 173.6 | -30 | 0 | 0 | 111 | M450 L460 R466 R467 R468 | M450-Q464 VanDerWaalsContact CE-O 3.25Å; M450-Q464 WeakPolarHBondContact CE-O 3.41Å; M450-Q464 HydrophobicContact SD-CB 3.94Å; L460-Q464 WeakPolarHBondContact O-CB 3.34Å; L460-Q464 WeakPolarHBondContact O-CG 3.4Å; L460-Q464 PolarHBondContact O-N 2.77Å; Q464-R466 VanDerWaalsContact C-N 3.28Å; Q464-R466 PolarHBondContact O-N 3.02Å; Q464-R467 WeakPolarHBondContact O-CB 3.49Å; Q464-R467 PolarHBondContact O-N 3.04Å; Q464-R468 PolarHBondContact O-N 3.46Å |
| 465 | Q | 72.5 | Confident | 76.8 | Confident | 130 Ų | 130 | 87 Ų | 87 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.8 | -30.7 | 179 | -167.8 | 158.1 | -1.7 | 0 | 0 | 112.8 | R461 K462 E463 R468 N469 | R461-Q465 WeakPolarHBondContact O-CB 3.4Å; R461-Q465 PolarHBondContact O-N 2.95Å; K462-Q465 PolarHBondContact O-N 2.92Å; E463-Q465 PolarHBondContact O-N 2.92Å; Q465-R468 PolarHBondContact O-N 3.24Å; Q465-N469 PolarHBondContact O-N 3.42Å; Q465-N469 VanDerWaalsContact O-N 3.14Å; Q465-N469 PolarHBondContact O-OD1 2.81Å |
| 466 | R | 75.8 | Confident | 78.4 | Confident | 162 Ų | 162 | 85.2 Ų | 85.2 | 61% | 0.611 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 169.9 | -174.1 | -179.1 | -174.3 | 159.9 | 2.3 | 112.1 | K462 E463 Q464 N469 K470 | K462-R466 WeakPolarHBondContact O-CB 3.19Å; K462-R466 PolarHBondContact O-N 2.94Å; E463-R466 WeakPolarHBondContact O-CB 3.2Å; E463-R466 PolarHBondContact O-N 2.85Å; Q464-R466 VanDerWaalsContact C-N 3.28Å; Q464-R466 PolarHBondContact O-N 3.02Å; R466-N469 PolarHBondContact O-N 2.8Å; R466-K470 PolarHBondContact O-N 2.77Å |
| 467 | R | 73 | Confident | 79.9 | Confident | 86 Ų | 86 | 78.1 Ų | 78.1 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 174.8 | -69.5 | 172 | -177.6 | -147 | -2.1 | 111.9 | M450 E463 Q464 N469 K470 G471 V472 | M450-R467 HydrophobicContact CE-CB 3.85Å; E463-R467 WeakPolarHBondContact O-CG 3.1Å; E463-R467 PolarHBondContact O-N 2.73Å; E463-R467 IonicContact OE1-CZ 3.68Å; E463-R467 IonicContact OE1-NE 2.88Å; E463-R467 PolarHBondContact OE1-NE 3.16Å; E463-R467 IonicContact OE1-NH2 3.56Å; Q464-R467 WeakPolarHBondContact O-CB 3.49Å; Q464-R467 PolarHBondContact O-N 3.04Å; R467-N469 VanDerWaalsContact C-N 3.35Å; R467-N469 PolarHBondContact O-N 3.3Å; R467-K470 CarbonylContact O-C 3.27Å; R467-K470 WeakPolarHBondContact O-CA 3.35Å; R467-K470 PolarHBondContact O-N 2.68Å; R467-G471 PolarHBondContact O-N 3.44Å; R467-G471 VanDerWaalsContact O-N 3.09Å; R467-V472 HydrophobicContact CB-CB 4.48Å; R467-V472 PolarHBondContact O-N 3.03Å |
| 468 | R | 69.7 | Low | 81 | Confident | 190 Ų | 190 | 75 Ų | 75 | 72% | 0.717 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.5 | -46.8 | 175.1 | -175.6 | 177.6 | 177.1 | 170.3 | 1.9 | 111.1 | M450 Q464 Q465 K470 G471 | M450-R468 HydrophobicContact CE-CB 3.97Å; M450-R468 HydrophobicContact SD-CB 3.93Å; Q464-R468 PolarHBondContact O-N 3.46Å; Q465-R468 PolarHBondContact O-N 3.24Å; R468-K470 PolarHBondContact O-N 3.15Å; R468-G471 PolarHBondContact O-N 3.43Å |
| 469 | N | 71.4 | Confident | 82 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.5 | 177.2 | -68.2 | -2.2 | 0 | 0 | 0 | 113.9 | Q465 R466 R467 | Q465-N469 PolarHBondContact O-N 3.42Å; Q465-N469 VanDerWaalsContact O-N 3.14Å; Q465-N469 PolarHBondContact O-OD1 2.81Å; R466-N469 PolarHBondContact O-N 2.8Å; R467-N469 VanDerWaalsContact C-N 3.35Å; R467-N469 PolarHBondContact O-N 3.3Å |
| 470 | K | 73.6 | Confident | 82.9 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -9.7 | 175.7 | -77.3 | -175.7 | 143.3 | -154.2 | 0 | 114.2 | D380 R466 R467 R468 V472 | D380-K470 IonicContact OD1-NZ 2.62Å; D380-K470 PolarHBondContact OD1-NZ 3.45Å; R466-K470 PolarHBondContact O-N 2.77Å; R467-K470 CarbonylContact O-C 3.27Å; R467-K470 WeakPolarHBondContact O-CA 3.35Å; R467-K470 PolarHBondContact O-N 2.68Å; R468-K470 PolarHBondContact O-N 3.15Å; K470-V472 HydrophobicContact CB-CG2 3.77Å; K470-V472 HydrophobicContact CD-CG2 4.44Å |
| 471 | G | 79.1 | Confident | 84 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 33.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y448 R467 R468 | Y448-G471 WeakPolarHBondContact CE1-O 3.21Å; R467-G471 PolarHBondContact O-N 3.44Å; R467-G471 VanDerWaalsContact O-N 3.09Å; R468-G471 PolarHBondContact O-N 3.43Å |
| 472 | V | 86.5 | Confident | 85 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | trans | -89.6 | 135.7 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | R467 K470 W491 | R467-V472 HydrophobicContact CB-CB 4.48Å; R467-V472 PolarHBondContact O-N 3.03Å; K470-V472 HydrophobicContact CB-CG2 3.77Å; K470-V472 HydrophobicContact CD-CG2 4.44Å; V472-W491 HydrophobicContact CG1-CG 4.48Å | ||
| 473 | P | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -57.1 | 154.8 | 174.8 | -21.8 | 30.6 | 0 | 0 | 0 | 113.1 | R377 L446 S447 Y448 W491 | R377-P473 HydrophobicContact CB-CG 4.33Å; L446-P473 HydrophobicContact CD1-CG 4.3Å; S447-P473 WeakPolarHBondContact O-CA 3.28Å; Y448-P473 HydrophobicContact CD1-CB 4.44Å; Y448-P473 HydrophobicContact CD1-CG 4.43Å; Y448-P473 HydrophobicContact CE1-CB 4.15Å; Y448-P473 HydrophobicContact CE1-CG 3.68Å; P473-W491 HydrophobicContact CB-CD2 3.98Å; P473-W491 HydrophobicContact CB-CE3 3.67Å; P473-W491 HydrophobicContact CB-CG 4.47Å; P473-W491 HydrophobicContact CB-CZ3 4.16Å; P473-W491 HydrophobicContact CG-CD2 4.29Å; P473-W491 HydrophobicContact CG-CE3 4.02Å; P473-W491 HydrophobicContact CG-CH2 4.38Å; P473-W491 HydrophobicContact CG-CZ3 4.06Å; P473-W491 WeakPolarHBondContact O-CB 3.48Å | ||
| 474 | T | 91.8 | Very high | 86.9 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -99.9 | -39.6 | 178 | 53.6 | 0 | 0 | 0 | 0 | 112 | S447 F449 M450 W491 | S447-T474 PolarHBondContact O-N 3.06Å; S447-T474 PolarHBondContact O-OG1 2.72Å; S447-T474 VanDerWaalsContact O-OG1 3.09Å; F449-T474 WeakPolarHBondContact O-CB 3.08Å; F449-T474 WeakPolarHBondContact O-CG2 3.01Å; F449-T474 PolarHBondContact O-OG1 3.27Å; M450-T474 HydrophobicContact CE-CG2 3.47Å; M450-T474 VanDerWaalsContact CE-CG2 3.47Å; M450-T474 HydrophobicContact CG-CG2 3.54Å; M450-T474 HydrophobicContact SD-CG2 4.43Å; T474-W491 WeakPolarHBondContact O-CB 2.95Å; T474-W491 PolarHBondContact O-N 3Å |
| 475 | S | 94.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 154.3 | 174.7 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | S447 W477 F489 | S447-S475 PolarHBondContact N-O 2.89Å; S447-S475 PolarHBondContact O-N 3Å; S475-W477 PolarHBondContact OG-NE1 2.77Å; S475-F489 CarbonylContact C-O 3.32Å; S475-F489 WeakPolarHBondContact CA-O 3.36Å; S475-F489 WeakPolarHBondContact CB-O 3.17Å |
| 476 | V | 97.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.4 | 167.7 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | W433 I444 L446 I478 K488 F489 W491 W494 | W433-V476 HydrophobicContact CH2-CG1 4.35Å; W433-V476 HydrophobicContact CZ2-CG1 4.2Å; I444-V476 HydrophobicContact CD1-CG1 3.54Å; I444-V476 HydrophobicContact CG1-CG1 3.57Å; L446-V476 HydrophobicContact CD2-CB 4.48Å; L446-V476 HydrophobicContact CD2-CG1 4.32Å; L446-V476 HydrophobicContact CD2-CG2 3.84Å; V476-I478 HydrophobicContact CG1-CD1 4.43Å; V476-I478 HydrophobicContact CG1-CG1 4.2Å; V476-K488 CarbonylContact O-C 3.31Å; V476-F489 HydrophobicContact CB-CB 4.5Å; V476-F489 PolarHBondContact N-O 3.13Å; V476-F489 PolarHBondContact O-N 3.35Å; V476-W491 HydrophobicContact CG2-CE3 3.6Å; V476-W491 HydrophobicContact CG2-CZ3 3.6Å; V476-W494 HydrophobicContact CB-CZ3 4.25Å; V476-W494 HydrophobicContact CG2-CH2 3.63Å; V476-W494 HydrophobicContact CG2-CZ3 3.63Å |
| 477 | W | 98.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.4 | 172.3 | -65.3 | 80.3 | 0 | 0 | 0 | 110.2 | I444 T445 S475 V486 F487 K488 L499 V520 I522 I528 | I444-W477 CarbonylContact C-O 3.59Å; I444-W477 WeakPolarHBondContact CA-O 3.46Å; T445-W477 PolarHBondContact N-O 3.34Å; T445-W477 PolarHBondContact O-N 3.09Å; S475-W477 PolarHBondContact OG-NE1 2.77Å; W477-V486 HydrophobicContact CE3-CG1 4.09Å; W477-F487 CarbonylContact C-O 3.54Å; W477-F487 VanDerWaalsContact CA-O 3.26Å; W477-F487 WeakPolarHBondContact CA-O 3.44Å; W477-K488 HydrophobicContact CD2-CB 4Å; W477-K488 HydrophobicContact CD2-CG 4.09Å; W477-K488 HydrophobicContact CE3-CB 3.83Å; W477-K488 HydrophobicContact CE3-CG 4.36Å; W477-K488 HydrophobicContact CH2-CB 3.8Å; W477-K488 HydrophobicContact CH2-CD 3.63Å; W477-K488 HydrophobicContact CH2-CG 3.87Å; W477-K488 HydrophobicContact CZ2-CB 3.99Å; W477-K488 HydrophobicContact CZ2-CD 3.44Å; W477-K488 VanDerWaalsContact CZ2-CD 3.44Å; W477-K488 HydrophobicContact CZ2-CG 3.57Å; W477-K488 HydrophobicContact CZ3-CB 3.73Å; W477-K488 HydrophobicContact CZ3-CD 4.42Å; W477-K488 HydrophobicContact CZ3-CG 4.27Å; W477-L499 HydrophobicContact CH2-CD2 4.03Å; W477-L499 HydrophobicContact CZ3-CD2 4.42Å; W477-V520 HydrophobicContact CB-CG1 3.58Å; W477-V520 HydrophobicContact CB-CG2 4.47Å; W477-V520 HydrophobicContact CD2-CG2 4.41Å; W477-V520 HydrophobicContact CE3-CG2 4.21Å; W477-V520 HydrophobicContact CG-CG1 4.46Å; W477-I522 HydrophobicContact CG-CD1 4.16Å; W477-I528 HydrophobicContact CH2-CD1 3.34Å; W477-I528 HydrophobicContact CH2-CG1 3.82Å; W477-I528 HydrophobicContact CH2-CG2 4.18Å; W477-I528 HydrophobicContact CZ2-CD1 4.02Å; W477-I528 HydrophobicContact CZ2-CG1 4.06Å; W477-I528 HydrophobicContact CZ3-CD1 4.1Å; W477-I528 HydrophobicContact CZ3-CG2 4.16Å |
| 478 | I | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133.1 | 179.2 | -63.5 | 174 | 0 | 0 | 0 | 109.4 | L389 V419 W433 F438 P441 S443 I444 V476 F487 F489 | L389-I478 HydrophobicContact CD1-CD1 4.4Å; L389-I478 HydrophobicContact CD1-CG2 4.45Å; L389-I478 HydrophobicContact CD2-CG2 4.25Å; V419-I478 HydrophobicContact CG2-CD1 3.82Å; W433-I478 HydrophobicContact CH2-CD1 3.68Å; W433-I478 HydrophobicContact CZ2-CD1 4.33Å; W433-I478 HydrophobicContact CZ3-CD1 4.33Å; F438-I478 HydrophobicContact CD1-CG2 4.18Å; F438-I478 HydrophobicContact CE1-CB 4.22Å; F438-I478 HydrophobicContact CE1-CD1 4.24Å; F438-I478 HydrophobicContact CE1-CG2 3.79Å; F438-I478 HydrophobicContact CE2-CD1 4.12Å; F438-I478 HydrophobicContact CZ-CB 4.43Å; F438-I478 HydrophobicContact CZ-CD1 3.59Å; F438-I478 HydrophobicContact CZ-CG2 4.18Å; P441-I478 HydrophobicContact CB-CG2 4.32Å; S443-I478 WeakPolarHBondContact O-CA 3.33Å; I444-I478 HydrophobicContact CB-CG1 4.34Å; I444-I478 HydrophobicContact CD1-CD1 4.08Å; I444-I478 HydrophobicContact CD1-CG1 4.06Å; I444-I478 HydrophobicContact CG1-CG1 4.06Å; V476-I478 HydrophobicContact CG1-CD1 4.43Å; V476-I478 HydrophobicContact CG1-CG1 4.2Å; I478-F487 PolarHBondContact N-O 3.14Å; I478-F487 PolarHBondContact O-N 2.75Å; I478-F489 HydrophobicContact CD1-CE2 4.41Å |
| 479 | T | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.8 | 169.8 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | P441 H442 S443 V486 P517 S518 V520 | P441-T479 WeakPolarHBondContact CA-O 3.39Å; H442-T479 WeakPolarHBondContact CB-OG1 3.48Å; H442-T479 PolarHBondContact N-O 2.84Å; S443-T479 WeakPolarHBondContact CB-OG1 3.36Å; S443-T479 PolarHBondContact N-OG1 3.08Å; S443-T479 PolarHBondContact O-N 2.9Å; S443-T479 VanDerWaalsContact O-N 3.15Å; T479-V486 HydrophobicContact CG2-CG1 4.18Å; T479-V486 HydrophobicContact CG2-CG2 3.97Å; T479-P517 WeakPolarHBondContact CB-O 3.24Å; T479-S518 PolarHBondContact OG1-O 3.3Å; T479-V520 HydrophobicContact CG2-CB 4.39Å; T479-V520 HydrophobicContact CG2-CG1 4.19Å |
| 480 | D | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.4 | 171.9 | -172.5 | -50.7 | 0 | 0 | 0 | 109.7 | F438 I439 L440 A482 L483 H484 Q485 F487 | F438-D480 WeakPolarHBondContact CA-OD2 3.47Å; F438-D480 WeakPolarHBondContact CB-OD2 3.44Å; I439-D480 PolarHBondContact N-OD2 2.87Å; L440-D480 PolarHBondContact N-OD1 2.87Å; L440-D480 PolarHBondContact N-OD2 2.8Å; D480-A482 PolarHBondContact OD1-N 2.98Å; D480-L483 HydrophobicContact CB-CB 4.1Å; D480-L483 HydrophobicContact CB-CD1 4.26Å; D480-L483 HydrophobicContact CB-CG 4.47Å; D480-L483 PolarHBondContact OD1-N 3.35Å; D480-H484 WeakPolarHBondContact O-CA 3.4Å; D480-H484 PolarHBondContact O-N 3.26Å; D480-Q485 PolarHBondContact N-O 3.48Å; D480-Q485 PolarHBondContact O-N 3.34Å; D480-Q485 VanDerWaalsContact O-N 3.17Å; D480-F487 HydrophobicContact CB-CE2 3.99Å |
| 481 | V | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -24.5 | -174 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | W396 F401 L440 H442 H484 Q516 P517 | W396-V481 HydrophobicContact CE3-CG2 4.29Å; W396-V481 HydrophobicContact CH2-CB 4.37Å; W396-V481 HydrophobicContact CH2-CG1 4.2Å; W396-V481 HydrophobicContact CH2-CG2 4.08Å; W396-V481 HydrophobicContact CZ2-CG2 4.4Å; W396-V481 HydrophobicContact CZ3-CG1 4.38Å; W396-V481 HydrophobicContact CZ3-CG2 4.06Å; F401-V481 HydrophobicContact CZ-CG2 4.3Å; L440-V481 HydrophobicContact CB-CG2 3.98Å; L440-V481 HydrophobicContact CD2-CG2 3.75Å; L440-V481 HydrophobicContact CG-CG2 3.99Å; L440-V481 WeakPolarHBondContact O-CG2 3.38Å; L440-V481 PolarHBondContact O-N 3.41Å; H442-V481 HydrophobicContact CB-CG1 3.96Å; V481-H484 PolarHBondContact O-CE1 3.38Å; V481-H484 PolarHBondContact O-ND1 3.42Å; V481-Q516 HydrophobicContact CB-CB 3.96Å; V481-Q516 HydrophobicContact CB-CG 4.12Å; V481-Q516 HydrophobicContact CG1-CB 4.05Å; V481-Q516 WeakPolarHBondContact O-CG 3.29Å; V481-P517 WeakPolarHBondContact CG1-O 3.49Å |
| 482 | A | 94.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 15 Ų | 15 | 4% | 0.041 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F401 Y407 I439 L440 D480 | F401-A482 HydrophobicContact CE1-CB 4.33Å; F401-A482 HydrophobicContact CZ-CB 4.12Å; Y407-A482 HydrophobicContact CD1-CB 4.44Å; Y407-A482 HydrophobicContact CD2-CB 3.86Å; Y407-A482 HydrophobicContact CG-CB 3.82Å; I439-A482 HydrophobicContact CB-CB 3.99Å; I439-A482 HydrophobicContact CG2-CB 3.71Å; L440-A482 HydrophobicContact CB-CB 3.48Å; L440-A482 VanDerWaalsContact CB-CB 3.48Å; L440-A482 HydrophobicContact CD2-CB 4.48Å; D480-A482 PolarHBondContact OD1-N 2.98Å |
| 483 | L | 96 | Very high | 95.7 | Very high | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -18.5 | 168.7 | -67.5 | 171.9 | 0 | 0 | 0 | 112.3 | Y413 I439 D480 Q485 F487 P504 G505 | Y413-L483 HydrophobicContact CE1-CD1 4.15Å; Y413-L483 HydrophobicContact CE1-CD2 4.29Å; I439-L483 HydrophobicContact CB-CG 4.43Å; I439-L483 HydrophobicContact CD1-CD2 3.57Å; I439-L483 HydrophobicContact CD1-CG 4.09Å; I439-L483 HydrophobicContact CG1-CD1 4.49Å; I439-L483 HydrophobicContact CG1-CD2 4.09Å; I439-L483 HydrophobicContact CG1-CG 4.15Å; D480-L483 HydrophobicContact CB-CB 4.1Å; D480-L483 HydrophobicContact CB-CD1 4.26Å; D480-L483 HydrophobicContact CB-CG 4.47Å; D480-L483 PolarHBondContact OD1-N 3.35Å; L483-Q485 VanDerWaalsContact C-N 3.29Å; L483-Q485 HydrophobicContact CB-CB 4.19Å; L483-Q485 HydrophobicContact CB-CG 4.38Å; L483-F487 HydrophobicContact CD1-CE2 4.08Å; L483-F487 HydrophobicContact CD1-CZ 3.85Å; L483-P504 HydrophobicContact CD2-CB 4.34Å; L483-P504 CarbonylContact O-C 3.59Å; L483-P504 WeakPolarHBondContact O-CA 3.25Å; L483-G505 PolarHBondContact O-N 2.82Å |
| 484 | H | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 42.8 | -170.8 | -43.8 | -59.6 | 0 | 0 | 0 | 112.5 | F405 D480 V481 P507 Q516 | F405-H484 PolarHBondContact O-CE1 3.11Å; F405-H484 PolarHBondContact O-NE2 2.82Å; D480-H484 WeakPolarHBondContact O-CA 3.4Å; D480-H484 PolarHBondContact O-N 3.26Å; V481-H484 PolarHBondContact O-CE1 3.38Å; V481-H484 PolarHBondContact O-ND1 3.42Å; H484-P507 VanDerWaalsContact CD2-CD 3.44Å; H484-P507 WeakPolarHBondContact CD2-CD 3.26Å; H484-P507 VanDerWaalsContact CD2-N 3.29Å; H484-P507 WeakPolarHBondContact NE2-CD 3.17Å; H484-Q516 PolarHBondContact ND1-N 2.95Å |
| 485 | Q | 97.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.4 | -172.4 | -74.8 | -170.9 | -53.5 | 0 | 0 | 112.8 | D480 L483 F487 T500 L501 G502 | D480-Q485 PolarHBondContact N-O 3.48Å; D480-Q485 PolarHBondContact O-N 3.34Å; D480-Q485 VanDerWaalsContact O-N 3.17Å; L483-Q485 VanDerWaalsContact C-N 3.29Å; L483-Q485 HydrophobicContact CB-CB 4.19Å; L483-Q485 HydrophobicContact CB-CG 4.38Å; Q485-F487 HydrophobicContact CB-CE1 4.27Å; Q485-F487 HydrophobicContact CB-CE2 3.86Å; Q485-F487 HydrophobicContact CB-CZ 3.66Å; Q485-F487 HydrophobicContact CG-CZ 4.48Å; Q485-T500 HydrophobicContact CB-CG2 4.45Å; Q485-T500 HydrophobicContact CG-CG2 4.39Å; Q485-T500 VanDerWaalsContact NE2-CG2 3.27Å; Q485-L501 CarbonylContact C-O 3.56Å; Q485-L501 VanDerWaalsContact CA-O 3.23Å; Q485-L501 WeakPolarHBondContact CA-O 3.38Å; Q485-L501 WeakPolarHBondContact CB-O 3.34Å; Q485-G502 PolarHBondContact NE2-O 2.9Å |
| 486 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | W477 T479 T500 L501 F514 P517 V520 I530 | W477-V486 HydrophobicContact CE3-CG1 4.09Å; T479-V486 HydrophobicContact CG2-CG1 4.18Å; T479-V486 HydrophobicContact CG2-CG2 3.97Å; V486-T500 WeakPolarHBondContact O-CA 3.08Å; V486-L501 HydrophobicContact CB-CB 4.48Å; V486-L501 PolarHBondContact N-O 3.17Å; V486-L501 PolarHBondContact O-N 2.94Å; V486-F514 HydrophobicContact CG2-CD2 4.25Å; V486-F514 HydrophobicContact CG2-CE2 4Å; V486-P517 HydrophobicContact CG2-CB 3.87Å; V486-P517 HydrophobicContact CG2-CG 3.93Å; V486-V520 HydrophobicContact CG1-CB 4.37Å; V486-V520 HydrophobicContact CG1-CG1 4.45Å; V486-V520 HydrophobicContact CG1-CG2 4.38Å; V486-I530 HydrophobicContact CB-CD1 4.09Å; V486-I530 HydrophobicContact CG1-CD1 4.14Å; V486-I530 HydrophobicContact CG1-CG1 4.48Å; V486-I530 HydrophobicContact CG2-CD1 3.91Å; V486-I530 HydrophobicContact CG2-CG1 4.36Å; V486-I530 HydrophobicContact CG2-CG2 3.94Å |
| 487 | F | 98.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.3 | -173.1 | -58.5 | -78.7 | 0 | 0 | 0 | 111.5 | F438 W477 I478 D480 L483 Q485 F489 P497 T500 | F438-F487 HydrophobicContact CD1-CD2 4.14Å; F438-F487 HydrophobicContact CD1-CE2 4.13Å; F438-F487 AromaticContact CE1-CD2 3.78Å; F438-F487 HydrophobicContact CE1-CD2 3.78Å; F438-F487 HydrophobicContact CE1-CE2 4.2Å; F438-F487 HydrophobicContact CE1-CG 4.34Å; W477-F487 CarbonylContact C-O 3.54Å; W477-F487 VanDerWaalsContact CA-O 3.26Å; W477-F487 WeakPolarHBondContact CA-O 3.44Å; I478-F487 PolarHBondContact N-O 3.14Å; I478-F487 PolarHBondContact O-N 2.75Å; D480-F487 HydrophobicContact CB-CE2 3.99Å; L483-F487 HydrophobicContact CD1-CE2 4.08Å; L483-F487 HydrophobicContact CD1-CZ 3.85Å; Q485-F487 HydrophobicContact CB-CE1 4.27Å; Q485-F487 HydrophobicContact CB-CE2 3.86Å; Q485-F487 HydrophobicContact CB-CZ 3.66Å; Q485-F487 HydrophobicContact CG-CZ 4.48Å; F487-F489 HydrophobicContact CB-CD2 4.3Å; F487-F489 HydrophobicContact CB-CE2 3.64Å; F487-F489 HydrophobicContact CB-CZ 4.38Å; F487-F489 HydrophobicContact CG-CE2 4.45Å; F487-P497 HydrophobicContact CB-CB 4.35Å; F487-P497 HydrophobicContact CD1-CB 4.15Å; F487-P497 HydrophobicContact CD1-CG 4.04Å; F487-T500 HydrophobicContact CD1-CG2 3.71Å; F487-T500 HydrophobicContact CE1-CG2 3.5Å; F487-T500 HydrophobicContact CZ-CG2 4.43Å |
| 488 | K | 97.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.1 | 172.7 | -177.5 | -169.7 | -172.8 | 172.6 | 0 | 110.2 | V476 W477 P497 S498 L499 S544 | V476-K488 CarbonylContact O-C 3.31Å; W477-K488 HydrophobicContact CD2-CB 4Å; W477-K488 HydrophobicContact CD2-CG 4.09Å; W477-K488 HydrophobicContact CE3-CB 3.83Å; W477-K488 HydrophobicContact CE3-CG 4.36Å; W477-K488 HydrophobicContact CH2-CB 3.8Å; W477-K488 HydrophobicContact CH2-CD 3.63Å; W477-K488 HydrophobicContact CH2-CG 3.87Å; W477-K488 HydrophobicContact CZ2-CB 3.99Å; W477-K488 HydrophobicContact CZ2-CD 3.44Å; W477-K488 VanDerWaalsContact CZ2-CD 3.44Å; W477-K488 HydrophobicContact CZ2-CG 3.57Å; W477-K488 HydrophobicContact CZ3-CB 3.73Å; W477-K488 HydrophobicContact CZ3-CD 4.42Å; W477-K488 HydrophobicContact CZ3-CG 4.27Å; K488-P497 CarbonylContact O-C 3.43Å; K488-P497 WeakPolarHBondContact O-CA 3.18Å; K488-S498 WeakPolarHBondContact CD-OG 3.49Å; K488-S498 WeakPolarHBondContact CG-OG 3.38Å; K488-S498 PolarHBondContact O-N 2.92Å; K488-S498 PolarHBondContact O-OG 2.86Å; K488-L499 HydrophobicContact CB-CB 3.96Å; K488-L499 HydrophobicContact CD-CB 3.99Å; K488-L499 HydrophobicContact CD-CD2 4.47Å; K488-L499 PolarHBondContact N-O 3.37Å; K488-L499 PolarHBondContact O-N 3.45Å; K488-S544 PolarHBondContact NZ-O 3.47Å |
| 489 | F | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.3 | 172.8 | -65.3 | -94.7 | 0 | 0 | 0 | 110.6 | W433 M437 F438 S475 V476 I478 F487 W494 P497 | W433-F489 HydrophobicContact CH2-CB 4.32Å; W433-F489 HydrophobicContact CH2-CD1 4.46Å; W433-F489 AromaticContact CH2-CD2 3.9Å; W433-F489 HydrophobicContact CH2-CD2 3.9Å; W433-F489 HydrophobicContact CH2-CE2 4.32Å; W433-F489 AromaticContact CH2-CG 3.97Å; W433-F489 HydrophobicContact CH2-CG 3.97Å; W433-F489 AromaticContact CZ3-CD1 3.94Å; W433-F489 HydrophobicContact CZ3-CD1 3.94Å; W433-F489 AromaticContact CZ3-CD2 3.99Å; W433-F489 HydrophobicContact CZ3-CD2 3.99Å; W433-F489 HydrophobicContact CZ3-CE1 4.03Å; W433-F489 HydrophobicContact CZ3-CE2 4.09Å; W433-F489 AromaticContact CZ3-CG 3.91Å; W433-F489 HydrophobicContact CZ3-CG 3.91Å; W433-F489 HydrophobicContact CZ3-CZ 4.11Å; M437-F489 HydrophobicContact SD-CE1 4.16Å; M437-F489 HydrophobicContact SD-CZ 4.3Å; F438-F489 HydrophobicContact CE1-CE2 4.14Å; F438-F489 HydrophobicContact CE1-CZ 4.31Å; F438-F489 AromaticContact CZ-CE2 3.76Å; F438-F489 HydrophobicContact CZ-CE2 3.76Å; F438-F489 AromaticContact CZ-CZ 3.84Å; F438-F489 HydrophobicContact CZ-CZ 3.84Å; S475-F489 CarbonylContact C-O 3.32Å; S475-F489 WeakPolarHBondContact CA-O 3.36Å; S475-F489 WeakPolarHBondContact CB-O 3.17Å; V476-F489 HydrophobicContact CB-CB 4.5Å; V476-F489 PolarHBondContact N-O 3.13Å; V476-F489 PolarHBondContact O-N 3.35Å; I478-F489 HydrophobicContact CD1-CE2 4.41Å; F487-F489 HydrophobicContact CB-CD2 4.3Å; F487-F489 HydrophobicContact CB-CE2 3.64Å; F487-F489 HydrophobicContact CB-CZ 4.38Å; F487-F489 HydrophobicContact CG-CE2 4.45Å; F489-W494 HydrophobicContact CB-CE3 3.97Å; F489-W494 HydrophobicContact CB-CZ3 4Å; F489-P497 HydrophobicContact CE1-CB 4.31Å; F489-P497 HydrophobicContact CZ-CB 4.26Å |
| 490 | D | 93.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 136.5 | 168.4 | -95.9 | 0.2 | 0 | 0 | 0 | 109.6 | M492 K493 | D490-M492 PolarHBondContact O-N 2.83Å; D490-K493 HydrophobicContact CB-CB 3.83Å; D490-K493 HydrophobicContact CB-CD 3.71Å; D490-K493 HydrophobicContact CB-CG 3.97Å; D490-K493 PolarHBondContact O-N 2.9Å; D490-K493 WeakPolarHBondContact OD2-CE 3.46Å; D490-K493 IonicContact OD2-NZ 2.67Å; D490-K493 PolarHBondContact OD2-NZ 3.13Å |
| 491 | W | 91.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127.2 | -178.5 | -174.8 | -101.7 | 0 | 0 | 0 | 111.9 | R377 I387 H421 L446 V472 P473 T474 V476 K493 W494 | R377-W491 VanDerWaalsContact CD-CH2 3.43Å; I387-W491 HydrophobicContact CD1-CH2 4.43Å; H421-W491 AromaticContact CE1-CH2 3.73Å; L446-W491 HydrophobicContact CD2-CZ3 4.06Å; V472-W491 HydrophobicContact CG1-CG 4.48Å; P473-W491 HydrophobicContact CB-CD2 3.98Å; P473-W491 HydrophobicContact CB-CE3 3.67Å; P473-W491 HydrophobicContact CB-CG 4.47Å; P473-W491 HydrophobicContact CB-CZ3 4.16Å; P473-W491 HydrophobicContact CG-CD2 4.29Å; P473-W491 HydrophobicContact CG-CE3 4.02Å; P473-W491 HydrophobicContact CG-CH2 4.38Å; P473-W491 HydrophobicContact CG-CZ3 4.06Å; P473-W491 WeakPolarHBondContact O-CB 3.48Å; T474-W491 WeakPolarHBondContact O-CB 2.95Å; T474-W491 PolarHBondContact O-N 3Å; V476-W491 HydrophobicContact CG2-CE3 3.6Å; V476-W491 HydrophobicContact CG2-CZ3 3.6Å; W491-K493 VanDerWaalsContact C-N 3.27Å; W491-K493 PolarHBondContact O-N 3.3Å; W491-W494 HydrophobicContact CD2-CH2 4.08Å; W491-W494 AromaticContact CE3-CH2 3.67Å; W491-W494 HydrophobicContact CE3-CH2 3.67Å; W491-W494 HydrophobicContact CE3-CZ2 4.41Å; W491-W494 HydrophobicContact CH2-CH2 4.47Å; W491-W494 AromaticContact CZ3-CH2 3.89Å; W491-W494 HydrophobicContact CZ3-CH2 3.89Å; W491-W494 HydrophobicContact CZ3-CZ2 4.43Å |
| 492 | M | 90.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 49% | 0.493 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 16.7 | -172.6 | -66.4 | -70.2 | -155.2 | 0 | 0 | 115.9 | D490 W494 | D490-M492 PolarHBondContact O-N 2.83Å; M492-W494 HydrophobicContact CG-CZ2 4.49Å; M492-W494 VanDerWaalsContact N-CH2 3.31Å; M492-W494 VanDerWaalsContact N-CZ2 3.33Å; M492-W494 HydrophobicContact SD-CZ2 4.13Å |
| 493 | K | 93.5 | Very high | 95.7 | Very high | 123 Ų | 123 | 48.4 Ų | 48.4 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | trans | -121.7 | 83 | 171 | -55.3 | -174.2 | -157.4 | 160.9 | 0 | 110 | D490 W491 | D490-K493 HydrophobicContact CB-CB 3.83Å; D490-K493 HydrophobicContact CB-CD 3.71Å; D490-K493 HydrophobicContact CB-CG 3.97Å; D490-K493 PolarHBondContact O-N 2.9Å; D490-K493 WeakPolarHBondContact OD2-CE 3.46Å; D490-K493 IonicContact OD2-NZ 2.67Å; D490-K493 PolarHBondContact OD2-NZ 3.13Å; W491-K493 VanDerWaalsContact C-N 3.27Å; W491-K493 PolarHBondContact O-N 3.3Å | ||
| 494 | W | 94.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -87.7 | -12.8 | -171.1 | -49.3 | 135.7 | 0 | 0 | 0 | 114.5 | W433 M437 V476 F489 W491 M492 K496 | W433-W494 HydrophobicContact CB-CB 4.08Å; W433-W494 HydrophobicContact CB-CG 4.03Å; W433-W494 HydrophobicContact CD2-CB 3.92Å; W433-W494 AromaticContact CD2-CD2 3.73Å; W433-W494 HydrophobicContact CD2-CD2 3.73Å; W433-W494 HydrophobicContact CD2-CE3 4.02Å; W433-W494 AromaticContact CD2-CG 3.68Å; W433-W494 HydrophobicContact CD2-CG 3.68Å; W433-W494 AromaticContact CE2-CD2 3.8Å; W433-W494 AromaticContact CE2-CE3 3.83Å; W433-W494 HydrophobicContact CE3-CB 3.69Å; W433-W494 HydrophobicContact CE3-CD2 4.07Å; W433-W494 HydrophobicContact CE3-CE3 4.07Å; W433-W494 AromaticContact CE3-CG 3.93Å; W433-W494 HydrophobicContact CE3-CG 3.93Å; W433-W494 HydrophobicContact CG-CB 4.12Å; W433-W494 AromaticContact CG-CD1 3.81Å; W433-W494 HydrophobicContact CG-CD2 4.1Å; W433-W494 AromaticContact CG-CG 3.74Å; W433-W494 HydrophobicContact CG-CG 3.74Å; W433-W494 HydrophobicContact CH2-CD2 4.5Å; W433-W494 AromaticContact CH2-CE3 3.8Å; W433-W494 HydrophobicContact CH2-CE3 3.8Å; W433-W494 HydrophobicContact CH2-CZ3 4.11Å; W433-W494 HydrophobicContact CZ2-CD2 4.2Å; W433-W494 AromaticContact CZ2-CE3 3.73Å; W433-W494 HydrophobicContact CZ2-CE3 3.73Å; W433-W494 HydrophobicContact CZ2-CH2 4.36Å; W433-W494 AromaticContact CZ2-CZ3 3.83Å; W433-W494 HydrophobicContact CZ2-CZ3 3.83Å; W433-W494 HydrophobicContact CZ3-CB 4.43Å; W433-W494 HydrophobicContact CZ3-CD2 4.44Å; W433-W494 AromaticContact CZ3-CE3 3.97Å; W433-W494 HydrophobicContact CZ3-CE3 3.97Å; M437-W494 WeakPolarHBondContact CE-O 3.27Å; V476-W494 HydrophobicContact CB-CZ3 4.25Å; V476-W494 HydrophobicContact CG2-CH2 3.63Å; V476-W494 HydrophobicContact CG2-CZ3 3.63Å; F489-W494 HydrophobicContact CB-CE3 3.97Å; F489-W494 HydrophobicContact CB-CZ3 4Å; W491-W494 HydrophobicContact CD2-CH2 4.08Å; W491-W494 AromaticContact CE3-CH2 3.67Å; W491-W494 HydrophobicContact CE3-CH2 3.67Å; W491-W494 HydrophobicContact CE3-CZ2 4.41Å; W491-W494 HydrophobicContact CH2-CH2 4.47Å; W491-W494 AromaticContact CZ3-CH2 3.89Å; W491-W494 HydrophobicContact CZ3-CH2 3.89Å; W491-W494 HydrophobicContact CZ3-CZ2 4.43Å; M492-W494 HydrophobicContact CG-CZ2 4.49Å; M492-W494 VanDerWaalsContact N-CH2 3.31Å; M492-W494 VanDerWaalsContact N-CZ2 3.33Å; M492-W494 HydrophobicContact SD-CZ2 4.13Å; W494-K496 VanDerWaalsContact C-N 3.28Å; W494-K496 PolarHBondContact O-N 3.3Å | ||
| 495 | D | 92.1 | Very high | 95.3 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 82% | 0.824 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -62.3 | -30.4 | -170 | -54.5 | -39.7 | 0 | 0 | 0 | 114.3 | ||
| 496 | K | 93.8 | Very high | 95.1 | Very high | 162 Ų | 162 | 58.4 Ų | 58.4 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -158.1 | 152.9 | 177.1 | 63.5 | 175.2 | -175.6 | 172.1 | 0 | 111.4 | W494 | W494-K496 VanDerWaalsContact C-N 3.28Å; W494-K496 PolarHBondContact O-N 3.3Å |
| 497 | P | 96.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 60 Ų | 60 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | trans | -62.7 | 145.8 | 169.1 | 27 | -34.6 | 0 | 0 | 0 | 111.5 | F487 K488 F489 T500 | F487-P497 HydrophobicContact CB-CB 4.35Å; F487-P497 HydrophobicContact CD1-CB 4.15Å; F487-P497 HydrophobicContact CD1-CG 4.04Å; K488-P497 CarbonylContact O-C 3.43Å; K488-P497 WeakPolarHBondContact O-CA 3.18Å; F489-P497 HydrophobicContact CE1-CB 4.31Å; F489-P497 HydrophobicContact CZ-CB 4.26Å; P497-T500 WeakPolarHBondContact CG-OG1 3.09Å | ||
| 498 | S | 95 | Very high | 94.6 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -82.9 | -28.1 | 170.9 | 63.4 | 0 | 0 | 0 | 0 | 112.7 | K488 | K488-S498 WeakPolarHBondContact CD-OG 3.49Å; K488-S498 WeakPolarHBondContact CG-OG 3.38Å; K488-S498 PolarHBondContact O-N 2.92Å; K488-S498 PolarHBondContact O-OG 2.86Å |
| 499 | L | 96.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.8 | 172.1 | 175.1 | 67.7 | 0 | 0 | 0 | 108.1 | W477 K488 L501 I528 | W477-L499 HydrophobicContact CH2-CD2 4.03Å; W477-L499 HydrophobicContact CZ3-CD2 4.42Å; K488-L499 HydrophobicContact CB-CB 3.96Å; K488-L499 HydrophobicContact CD-CB 3.99Å; K488-L499 HydrophobicContact CD-CD2 4.47Å; K488-L499 PolarHBondContact N-O 3.37Å; K488-L499 PolarHBondContact O-N 3.45Å; L499-L501 HydrophobicContact CD1-CD2 4.06Å; L499-L501 HydrophobicContact CD2-CD1 4.37Å; L499-L501 HydrophobicContact CD2-CD2 4.24Å; L499-L501 HydrophobicContact CD2-CG 4.26Å; L499-L501 HydrophobicContact CG-CD2 4.2Å; L499-L501 HydrophobicContact CG-CG 4.22Å; L499-I528 HydrophobicContact CD2-CD1 4.44Å |
| 500 | T | 97.9 | Very high | 94 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.2 | 172 | -58.7 | 0 | 0 | 0 | 0 | 107.9 | Q485 V486 F487 P497 | Q485-T500 HydrophobicContact CB-CG2 4.45Å; Q485-T500 HydrophobicContact CG-CG2 4.39Å; Q485-T500 VanDerWaalsContact NE2-CG2 3.27Å; V486-T500 WeakPolarHBondContact O-CA 3.08Å; F487-T500 HydrophobicContact CD1-CG2 3.71Å; F487-T500 HydrophobicContact CE1-CG2 3.5Å; F487-T500 HydrophobicContact CZ-CG2 4.43Å; P497-T500 WeakPolarHBondContact CG-OG1 3.09Å |
| 501 | L | 98.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.5 | 176.3 | -58.4 | 173.1 | 0 | 0 | 0 | 108.9 | Q485 V486 L499 F514 I530 F542 | Q485-L501 CarbonylContact C-O 3.56Å; Q485-L501 VanDerWaalsContact CA-O 3.23Å; Q485-L501 WeakPolarHBondContact CA-O 3.38Å; Q485-L501 WeakPolarHBondContact CB-O 3.34Å; V486-L501 HydrophobicContact CB-CB 4.48Å; V486-L501 PolarHBondContact N-O 3.17Å; V486-L501 PolarHBondContact O-N 2.94Å; L499-L501 HydrophobicContact CD1-CD2 4.06Å; L499-L501 HydrophobicContact CD2-CD1 4.37Å; L499-L501 HydrophobicContact CD2-CD2 4.24Å; L499-L501 HydrophobicContact CD2-CG 4.26Å; L499-L501 HydrophobicContact CG-CD2 4.2Å; L499-L501 HydrophobicContact CG-CG 4.22Å; L501-F514 HydrophobicContact CB-CE2 3.71Å; L501-F514 HydrophobicContact CB-CZ 4.16Å; L501-I530 HydrophobicContact CD1-CD1 3.74Å; L501-F542 HydrophobicContact CD1-CD1 4.4Å; L501-F542 HydrophobicContact CD1-CD2 4.26Å; L501-F542 HydrophobicContact CD1-CE2 4.46Å; L501-F542 HydrophobicContact CD1-CG 4.24Å; L501-F542 HydrophobicContact CD2-CD1 4.43Å; L501-F542 HydrophobicContact CD2-CE1 4.43Å |
| 502 | G | 97 | Very high | 94 | Very high | 18 Ų | 18 | 74 Ų | 74 | 19% | 0.186 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 88.6 | 168.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q485 H512 | Q485-G502 PolarHBondContact NE2-O 2.9Å; G502-H512 WeakPolarHBondContact CA-O 3.46Å |
| 503 | I | 96 | Very high | 94.2 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | trans | -113.6 | 127.5 | -177.8 | -56.2 | 179.5 | 0 | 0 | 0 | 108.8 | G505 K506 Q513 | I503-G505 PolarHBondContact O-N 2.71Å; I503-K506 HydrophobicContact CB-CB 4.16Å; I503-K506 HydrophobicContact CG2-CB 3.97Å; I503-K506 HydrophobicContact CG2-CD 3.94Å; I503-K506 HydrophobicContact CG2-CG 4.06Å; I503-K506 PolarHBondContact O-N 3.43Å; I503-K506 VanDerWaalsContact O-N 3.15Å; I503-Q513 HydrophobicContact CB-CG 4.4Å; I503-Q513 HydrophobicContact CD1-CG 3.72Å; I503-Q513 HydrophobicContact CG1-CG 4.02Å | ||
| 504 | P | 93.7 | Very high | 94.4 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.1 | -168.1 | 25.6 | -33.7 | 0 | 0 | 0 | 111.7 | L483 K506 | L483-P504 HydrophobicContact CD2-CB 4.34Å; L483-P504 CarbonylContact O-C 3.59Å; L483-P504 WeakPolarHBondContact O-CA 3.25Å; P504-K506 PolarHBondContact O-N 3.48Å |
| 505 | G | 90.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 16.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L483 I503 | L483-G505 PolarHBondContact O-N 2.82Å; I503-G505 PolarHBondContact O-N 2.71Å |
| 506 | K | 93.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 57.5 Ų | 57.5 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | trans | -118.5 | 91.2 | 175.4 | -66.7 | -158.9 | -177.1 | -173.8 | 0 | 111.3 | I503 P504 Q513 | I503-K506 HydrophobicContact CB-CB 4.16Å; I503-K506 HydrophobicContact CG2-CB 3.97Å; I503-K506 HydrophobicContact CG2-CD 3.94Å; I503-K506 HydrophobicContact CG2-CG 4.06Å; I503-K506 PolarHBondContact O-N 3.43Å; I503-K506 VanDerWaalsContact O-N 3.15Å; P504-K506 PolarHBondContact O-N 3.48Å; K506-Q513 PolarHBondContact O-NE2 2.84Å | ||
| 507 | P | 93.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | trans | -63 | 152.3 | 175.8 | 24.9 | -28 | 0 | 0 | 0 | 110.7 | E404 F405 I406 H484 Q513 F514 C515 | E404-P507 WeakPolarHBondContact O-CG 3.39Å; F405-P507 HydrophobicContact CB-CB 4.18Å; F405-P507 HydrophobicContact CB-CG 4.19Å; I406-P507 HydrophobicContact CG1-CG 4.27Å; H484-P507 VanDerWaalsContact CD2-CD 3.44Å; H484-P507 WeakPolarHBondContact CD2-CD 3.26Å; H484-P507 VanDerWaalsContact CD2-N 3.29Å; H484-P507 WeakPolarHBondContact NE2-CD 3.17Å; P507-Q513 PolarHBondContact O-NE2 3.4Å; P507-F514 CarbonylContact C-O 3.53Å; P507-F514 VanDerWaalsContact CA-O 3.3Å; P507-F514 WeakPolarHBondContact CA-O 3.41Å; P507-C515 HydrophobicContact CB-CB 4.15Å | ||
| 508 | G | 92.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | trans | 178 | 173.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q513 F514 C515 N536 | G508-Q513 CarbonylContact O-C 3.51Å; G508-F514 PolarHBondContact N-O 2.9Å; G508-F514 CarbonylContact O-C 3.58Å; G508-F514 WeakPolarHBondContact O-CA 3.28Å; G508-C515 PolarHBondContact O-N 3.39Å; G508-N536 PolarHBondContact O-ND2 3.33Å | ||
| 509 | N | 90.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 45.1 Ų | 45.1 | 62% | 0.615 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -122.2 | 17.7 | -173.5 | 68.1 | -12.6 | 0 | 0 | 0 | 113.5 | N536 R538 | N509-N536 WeakPolarHBondContact CB-OD1 3.44Å; N509-R538 PolarHBondContact O-NH1 2.86Å |
| 510 | N | 93.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -94.5 | 175.2 | 176 | 65.2 | 50.8 | 0 | 0 | 0 | 111.9 | H512 Q513 R538 | N510-H512 PolarHBondContact O-N 2.96Å; N510-H512 WeakPolarHBondContact OD1-CA 3.35Å; N510-H512 PolarHBondContact OD1-N 2.85Å; N510-Q513 PolarHBondContact ND2-OE1 3.14Å; N510-Q513 PolarHBondContact O-N 2.95Å; N510-Q513 PolarHBondContact OD1-N 2.92Å; N510-Q513 VanDerWaalsContact OD1-N 3.13Å; N510-R538 PolarHBondContact O-NH2 3.01Å |
| 511 | K | 92.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 41.6 Ų | 41.6 | 50% | 0.5 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -7.2 | 178.6 | 57.6 | 166.7 | 175.4 | 171.1 | 0 | 116.6 | Y548 | K511-Y548 HydrophobicContact CB-CD1 4.27Å; K511-Y548 HydrophobicContact CB-CD2 3.72Å; K511-Y548 HydrophobicContact CB-CE2 4.03Å; K511-Y548 HydrophobicContact CB-CG 3.86Å |
| 512 | H | 92.2 | Very high | 94.7 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -2.3 | -176.7 | -61.2 | -39.1 | 0 | 0 | 0 | 113.5 | G502 N510 | G502-H512 WeakPolarHBondContact CA-O 3.46Å; N510-H512 PolarHBondContact O-N 2.96Å; N510-H512 WeakPolarHBondContact OD1-CA 3.35Å; N510-H512 PolarHBondContact OD1-N 2.85Å |
| 513 | Q | 95.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | trans | -130.9 | 150 | -178.7 | -68 | 179.9 | -100.5 | 0 | 0 | 110.3 | I503 K506 P507 G508 N510 R538 | I503-Q513 HydrophobicContact CB-CG 4.4Å; I503-Q513 HydrophobicContact CD1-CG 3.72Å; I503-Q513 HydrophobicContact CG1-CG 4.02Å; K506-Q513 PolarHBondContact O-NE2 2.84Å; P507-Q513 PolarHBondContact O-NE2 3.4Å; G508-Q513 CarbonylContact O-C 3.51Å; N510-Q513 PolarHBondContact ND2-OE1 3.14Å; N510-Q513 PolarHBondContact O-N 2.95Å; N510-Q513 PolarHBondContact OD1-N 2.92Å; N510-Q513 VanDerWaalsContact OD1-N 3.13Å; Q513-R538 PolarHBondContact O-NH2 3.05Å | ||
| 514 | F | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | trans | -117 | 165.8 | 170.4 | -59.1 | -63.1 | 0 | 0 | 0 | 108.7 | V486 L501 P507 G508 P517 I530 D532 V540 F542 | V486-F514 HydrophobicContact CG2-CD2 4.25Å; V486-F514 HydrophobicContact CG2-CE2 4Å; L501-F514 HydrophobicContact CB-CE2 3.71Å; L501-F514 HydrophobicContact CB-CZ 4.16Å; P507-F514 CarbonylContact C-O 3.53Å; P507-F514 VanDerWaalsContact CA-O 3.3Å; P507-F514 WeakPolarHBondContact CA-O 3.41Å; G508-F514 PolarHBondContact N-O 2.9Å; G508-F514 CarbonylContact O-C 3.58Å; G508-F514 WeakPolarHBondContact O-CA 3.28Å; F514-P517 HydrophobicContact CB-CB 4.17Å; F514-P517 HydrophobicContact CB-CG 4.01Å; F514-P517 HydrophobicContact CD2-CG 4.41Å; F514-P517 HydrophobicContact CG-CB 4.29Å; F514-P517 HydrophobicContact CG-CG 4.37Å; F514-I530 HydrophobicContact CD1-CG2 4.42Å; F514-I530 HydrophobicContact CE1-CD1 4.34Å; F514-I530 HydrophobicContact CE1-CG2 4.04Å; F514-I530 HydrophobicContact CE2-CD1 4.3Å; F514-I530 HydrophobicContact CZ-CD1 3.67Å; F514-I530 HydrophobicContact CZ-CG2 4.27Å; F514-D532 WeakPolarHBondContact CA-OD1 3.5Å; F514-D532 WeakPolarHBondContact CB-OD1 3.36Å; F514-D532 HydrophobicContact CD1-CB 4.12Å; F514-V540 HydrophobicContact CE1-CB 4.35Å; F514-V540 HydrophobicContact CE1-CG2 4.23Å; F514-F542 HydrophobicContact CE1-CE2 4Å; F514-F542 HydrophobicContact CE1-CZ 4.15Å; F514-F542 AromaticContact CZ-CE2 3.7Å; F514-F542 HydrophobicContact CZ-CE2 3.7Å; F514-F542 AromaticContact CZ-CZ 3.75Å; F514-F542 HydrophobicContact CZ-CZ 3.75Å | ||
| 515 | C | 93.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -126.8 | 100.8 | 164.5 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | F405 P507 G508 D532 C535 N536 | F405-C515 VanDerWaalsContact CG-SG 3.55Å; P507-C515 HydrophobicContact CB-CB 4.15Å; G508-C515 PolarHBondContact O-N 3.39Å; C515-D532 PolarHBondContact N-OD1 3.22Å; C515-C535 HydrophobicContact CB-CB 3.57Å; C515-C535 WeakPolarHBondContact CB-SG 3.33Å; C515-C535 PolarHBondContact O-SG 3.47Å; C515-C535 WeakPolarHBondContact SG-CB 3.1Å; C515-C535 CovalentContact SG-SG 2.03Å; C515-C535 PolarHBondContact SG-SG 3.32Å; C515-N536 WeakPolarHBondContact CB-ND2 3.34Å; C515-N536 PolarHBondContact N-ND2 3.37Å |
| 516 | Q | 93.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 41 Ų | 41 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 54 | 68.3 | -178.2 | -62.2 | 178.7 | -6.9 | 0 | 0 | 112.3 | F401 V481 H484 S518 Y534 | F401-Q516 VanDerWaalsContact CD1-NE2 3.35Å; F401-Q516 VanDerWaalsContact CD2-NE2 3.29Å; F401-Q516 HydrophobicContact CE1-CG 4.47Å; F401-Q516 VanDerWaalsContact CG-NE2 3.27Å; F401-Q516 HydrophobicContact CZ-CG 4.4Å; V481-Q516 HydrophobicContact CB-CB 3.96Å; V481-Q516 HydrophobicContact CB-CG 4.12Å; V481-Q516 HydrophobicContact CG1-CB 4.05Å; V481-Q516 WeakPolarHBondContact O-CG 3.29Å; H484-Q516 PolarHBondContact ND1-N 2.95Å; Q516-S518 PolarHBondContact O-N 3.45Å; Q516-Y534 HydrophobicContact CB-CD2 4.24Å; Q516-Y534 HydrophobicContact CB-CG 4.39Å; Q516-Y534 VanDerWaalsContact OE1-CB 3.25Å |
| 517 | P | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -64.3 | 128.7 | 177.5 | 28.3 | -33.3 | 0 | 0 | 0 | 110.2 | T479 V481 V486 F514 I530 S531 | T479-P517 WeakPolarHBondContact CB-O 3.24Å; V481-P517 WeakPolarHBondContact CG1-O 3.49Å; V486-P517 HydrophobicContact CG2-CB 3.87Å; V486-P517 HydrophobicContact CG2-CG 3.93Å; F514-P517 HydrophobicContact CB-CB 4.17Å; F514-P517 HydrophobicContact CB-CG 4.01Å; F514-P517 HydrophobicContact CD2-CG 4.41Å; F514-P517 HydrophobicContact CG-CB 4.29Å; F514-P517 HydrophobicContact CG-CG 4.37Å; P517-I530 HydrophobicContact CB-CG2 4.08Å; P517-S531 CarbonylContact C-O 3.55Å; P517-S531 WeakPolarHBondContact CA-O 3.48Å | ||
| 518 | S | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -89.5 | -51.6 | -172.7 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | H442 S443 T479 Q516 S531 V603 | H442-S518 PolarHBondContact ND1-O 2.94Å; S443-S518 WeakPolarHBondContact CB-O 3.48Å; T479-S518 PolarHBondContact OG1-O 3.3Å; Q516-S518 PolarHBondContact O-N 3.45Å; S518-S531 PolarHBondContact N-O 2.85Å; S518-S531 WeakPolarHBondContact OG-CB 3.42Å; S518-S531 PolarHBondContact OG-O 3.39Å; S518-S531 VanDerWaalsContact OG-O 3.07Å; S518-S531 PolarHBondContact OG-OG 3.26Å; S518-V603 WeakPolarHBondContact CB-O 3.45Å; S518-V603 PolarHBondContact OG-O 2.68Å | ||
| 519 | D | 97.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 167.3 | -169.8 | -160.5 | 11.3 | 0 | 0 | 0 | 112.5 | S443 I530 S531 S605 L606 | S443-D519 VanDerWaalsContact CB-OD1 3.23Å; S443-D519 WeakPolarHBondContact CB-OD1 3.2Å; S443-D519 PolarHBondContact OG-OD1 3.01Å; D519-I530 WeakPolarHBondContact O-CA 3.31Å; D519-S531 WeakPolarHBondContact CA-OG 3.18Å; D519-S531 WeakPolarHBondContact CB-OG 3.14Å; D519-S531 PolarHBondContact N-OG 3.33Å; D519-S531 PolarHBondContact O-N 3.28Å; D519-S531 PolarHBondContact O-OG 2.73Å; D519-S605 VanDerWaalsContact OD2-CA 3.25Å; D519-S605 WeakPolarHBondContact OD2-CA 3.32Å; D519-S605 PolarHBondContact OD2-OG 3.32Å; D519-L606 PolarHBondContact OD2-N 3.47Å |
| 520 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138.3 | -177.1 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | T445 W477 T479 V486 I528 F529 I530 | T445-V520 WeakPolarHBondContact CG2-O 3.46Å; T445-V520 WeakPolarHBondContact OG1-CG1 3.48Å; T445-V520 PolarHBondContact OG1-O 3.29Å; W477-V520 HydrophobicContact CB-CG1 3.58Å; W477-V520 HydrophobicContact CB-CG2 4.47Å; W477-V520 HydrophobicContact CD2-CG2 4.41Å; W477-V520 HydrophobicContact CE3-CG2 4.21Å; W477-V520 HydrophobicContact CG-CG1 4.46Å; T479-V520 HydrophobicContact CG2-CB 4.39Å; T479-V520 HydrophobicContact CG2-CG1 4.19Å; V486-V520 HydrophobicContact CG1-CB 4.37Å; V486-V520 HydrophobicContact CG1-CG1 4.45Å; V486-V520 HydrophobicContact CG1-CG2 4.38Å; V520-I528 HydrophobicContact CG2-CG2 3.66Å; V520-F529 CarbonylContact C-O 3.57Å; V520-F529 VanDerWaalsContact CA-O 3.29Å; V520-F529 WeakPolarHBondContact CA-O 3.4Å; V520-I530 HydrophobicContact CB-CG1 4.28Å; V520-I530 HydrophobicContact CG2-CG1 3.92Å |
| 521 | T | 97.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 9% | 0.092 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.4 | 173.9 | -157.8 | 0 | 0 | 0 | 0 | 111.7 | F529 L606 I608 V619 | T521-F529 HydrophobicContact CG2-CB 4.04Å; T521-F529 PolarHBondContact N-O 3.46Å; T521-F529 PolarHBondContact O-N 3.07Å; T521-L606 HydrophobicContact CG2-CB 3.78Å; T521-L606 HydrophobicContact CG2-CD1 4.28Å; T521-I608 HydrophobicContact CG2-CD1 3.83Å; T521-I608 HydrophobicContact CG2-CG1 3.75Å; T521-V619 HydrophobicContact CG2-CG2 4.01Å |
| 522 | I | 97.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 19.7 Ų | 19.7 | 13% | 0.133 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.7 | -170.9 | -54.7 | 82.7 | 0 | 0 | 0 | 108.8 | T445 F449 W477 | T445-I522 HydrophobicContact CG2-CD1 4.49Å; F449-I522 HydrophobicContact CB-CG2 4.03Å; W477-I522 HydrophobicContact CG-CD1 4.16Å |
| 523 | S | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | trans | -73.9 | 169.4 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | T525 G526 D527 | S523-T525 PolarHBondContact O-N 3.42Å; S523-T525 PolarHBondContact OG-OG1 2.95Å; S523-G526 PolarHBondContact O-N 3.13Å; S523-D527 PolarHBondContact N-O 2.93Å; S523-D527 WeakPolarHBondContact OG-CB 3.21Å; S523-D527 PolarHBondContact OG-N 3.31Å; S523-D527 PolarHBondContact OG-O 3.44Å; S523-D527 VanDerWaalsContact OG-O 3.1Å | ||
| 524 | S | 92 | Very high | 94.7 | Very high | 83 Ų | 83 | 13.9 Ų | 13.9 | 58% | 0.58 | 8% | 0.083 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.8 | 175.2 | 80.9 | 0 | 0 | 0 | 0 | 114.1 | E617 | S524-E617 WeakPolarHBondContact CB-OE1 3.29Å; S524-E617 WeakPolarHBondContact CB-OE2 3.43Å; S524-E617 PolarHBondContact N-OE1 3.4Å; S524-E617 PolarHBondContact OG-OE1 2.87Å; S524-E617 PolarHBondContact OG-OE2 3.16Å |
| 525 | T | 92 | Very high | 94.2 | Very high | 77 Ų | 77 | 15.3 Ų | 15.3 | 47% | 0.472 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.2 | 176.9 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | F449 S523 D527 | F449-T525 VanDerWaalsContact CE2-O 3.31Å; F449-T525 WeakPolarHBondContact CE2-O 3.38Å; F449-T525 VanDerWaalsContact CZ-O 3.26Å; F449-T525 WeakPolarHBondContact CZ-O 3.24Å; S523-T525 PolarHBondContact O-N 3.42Å; S523-T525 PolarHBondContact OG-OG1 2.95Å; T525-D527 PolarHBondContact OG1-N 3.03Å; T525-D527 PolarHBondContact OG1-OD2 3.5Å |
| 526 | G | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | 94.1 | -3.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F449 S523 I528 S544 | F449-G526 VanDerWaalsContact CE2-CA 3.48Å; F449-G526 VanDerWaalsContact CE2-N 3.32Å; F449-G526 VanDerWaalsContact CZ-CA 3.46Å; S523-G526 PolarHBondContact O-N 3.13Å; G526-I528 PolarHBondContact O-N 2.89Å; G526-S544 WeakPolarHBondContact O-CA 3.45Å; G526-S544 WeakPolarHBondContact O-CB 3.5Å | ||
| 527 | D | 96.6 | Very high | 93.6 | Very high | 31 Ų | 31 | 17.1 Ų | 17.1 | 17% | 0.166 | 10% | 0.104 | C | C | . | . | trans | -61.2 | 135.2 | 170.6 | -63.8 | -27.5 | 0 | 0 | 0 | 109.5 | S523 T525 F529 K541 F542 | S523-D527 PolarHBondContact N-O 2.93Å; S523-D527 WeakPolarHBondContact OG-CB 3.21Å; S523-D527 PolarHBondContact OG-N 3.31Å; S523-D527 PolarHBondContact OG-O 3.44Å; S523-D527 VanDerWaalsContact OG-O 3.1Å; T525-D527 PolarHBondContact OG1-N 3.03Å; T525-D527 PolarHBondContact OG1-OD2 3.5Å; D527-F529 HydrophobicContact CB-CE2 3.67Å; D527-F529 HydrophobicContact CB-CZ 4.02Å; D527-F529 WeakPolarHBondContact O-CD2 3.4Å; D527-F529 WeakPolarHBondContact O-CE2 3.47Å; D527-K541 WeakPolarHBondContact OD2-CE 3.44Å; D527-K541 IonicContact OD2-NZ 2.74Å; D527-K541 PolarHBondContact OD2-NZ 3.24Å; D527-F542 CarbonylContact C-O 3.57Å; D527-F542 WeakPolarHBondContact CA-O 3.39Å | ||
| 528 | I | 97.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133 | -179.2 | -46.2 | 155.1 | 0 | 0 | 0 | 108 | W477 L499 V520 G526 I530 K541 F542 S543 | W477-I528 HydrophobicContact CH2-CD1 3.34Å; W477-I528 HydrophobicContact CH2-CG1 3.82Å; W477-I528 HydrophobicContact CH2-CG2 4.18Å; W477-I528 HydrophobicContact CZ2-CD1 4.02Å; W477-I528 HydrophobicContact CZ2-CG1 4.06Å; W477-I528 HydrophobicContact CZ3-CD1 4.1Å; W477-I528 HydrophobicContact CZ3-CG2 4.16Å; L499-I528 HydrophobicContact CD2-CD1 4.44Å; V520-I528 HydrophobicContact CG2-CG2 3.66Å; G526-I528 PolarHBondContact O-N 2.89Å; I528-I530 HydrophobicContact CG2-CD1 4.4Å; I528-I530 HydrophobicContact CG2-CG1 4.17Å; I528-K541 CarbonylContact O-C 3.46Å; I528-K541 WeakPolarHBondContact O-CA 3.31Å; I528-F542 HydrophobicContact CB-CB 4.28Å; I528-F542 HydrophobicContact CD1-CB 4.1Å; I528-F542 PolarHBondContact N-O 2.99Å; I528-F542 PolarHBondContact O-N 2.57Å; I528-S543 WeakPolarHBondContact CD1-O 3.24Å |
| 529 | F | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125 | 176.3 | -58.7 | -104.5 | 0 | 0 | 0 | 107.5 | V520 T521 D527 I539 V540 K541 W552 L606 V619 L634 | V520-F529 CarbonylContact C-O 3.57Å; V520-F529 VanDerWaalsContact CA-O 3.29Å; V520-F529 WeakPolarHBondContact CA-O 3.4Å; T521-F529 HydrophobicContact CG2-CB 4.04Å; T521-F529 PolarHBondContact N-O 3.46Å; T521-F529 PolarHBondContact O-N 3.07Å; D527-F529 HydrophobicContact CB-CE2 3.67Å; D527-F529 HydrophobicContact CB-CZ 4.02Å; D527-F529 WeakPolarHBondContact O-CD2 3.4Å; D527-F529 WeakPolarHBondContact O-CE2 3.47Å; F529-I539 HydrophobicContact CB-CG2 4.27Å; F529-I539 HydrophobicContact CD1-CG2 4.37Å; F529-V540 WeakPolarHBondContact CA-O 3.38Å; F529-K541 HydrophobicContact CD1-CB 4.46Å; F529-K541 HydrophobicContact CD1-CG 4.35Å; F529-K541 HydrophobicContact CE1-CB 4.45Å; F529-K541 HydrophobicContact CE1-CD 3.94Å; F529-K541 HydrophobicContact CE1-CG 3.98Å; F529-K541 HydrophobicContact CZ-CD 4.08Å; F529-K541 HydrophobicContact CZ-CG 4.19Å; F529-W552 AromaticContact CD1-CH2 3.86Å; F529-W552 HydrophobicContact CD1-CH2 3.86Å; F529-W552 HydrophobicContact CD1-CZ2 4.33Å; F529-W552 AromaticContact CE1-CH2 3.81Å; F529-W552 HydrophobicContact CE1-CH2 3.81Å; F529-L606 HydrophobicContact CB-CD1 4.32Å; F529-L606 WeakPolarHBondContact O-CD1 3.37Å; F529-V619 HydrophobicContact CB-CG2 4.24Å; F529-V619 HydrophobicContact CD1-CB 4.27Å; F529-V619 HydrophobicContact CD1-CG1 3.97Å; F529-V619 HydrophobicContact CD1-CG2 4.24Å; F529-V619 HydrophobicContact CE1-CG1 4.09Å; F529-V619 HydrophobicContact CG-CG2 4.23Å; F529-L634 HydrophobicContact CE1-CD2 4.32Å; F529-L634 HydrophobicContact CE2-CD2 4.15Å; F529-L634 HydrophobicContact CZ-CB 4.03Å; F529-L634 HydrophobicContact CZ-CD2 3.69Å; F529-L634 HydrophobicContact CZ-CG 4.38Å |
| 530 | I | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.2 | -179 | -66.5 | 166.5 | 0 | 0 | 0 | 108.1 | V486 L501 F514 P517 D519 V520 I528 I539 V540 F542 | V486-I530 HydrophobicContact CB-CD1 4.09Å; V486-I530 HydrophobicContact CG1-CD1 4.14Å; V486-I530 HydrophobicContact CG1-CG1 4.48Å; V486-I530 HydrophobicContact CG2-CD1 3.91Å; V486-I530 HydrophobicContact CG2-CG1 4.36Å; V486-I530 HydrophobicContact CG2-CG2 3.94Å; L501-I530 HydrophobicContact CD1-CD1 3.74Å; F514-I530 HydrophobicContact CD1-CG2 4.42Å; F514-I530 HydrophobicContact CE1-CD1 4.34Å; F514-I530 HydrophobicContact CE1-CG2 4.04Å; F514-I530 HydrophobicContact CE2-CD1 4.3Å; F514-I530 HydrophobicContact CZ-CD1 3.67Å; F514-I530 HydrophobicContact CZ-CG2 4.27Å; P517-I530 HydrophobicContact CB-CG2 4.08Å; D519-I530 WeakPolarHBondContact O-CA 3.31Å; V520-I530 HydrophobicContact CB-CG1 4.28Å; V520-I530 HydrophobicContact CG2-CG1 3.92Å; I528-I530 HydrophobicContact CG2-CD1 4.4Å; I528-I530 HydrophobicContact CG2-CG1 4.17Å; I530-I539 WeakPolarHBondContact O-CA 3.34Å; I530-V540 PolarHBondContact N-O 3.3Å; I530-V540 PolarHBondContact O-N 2.92Å; I530-F542 HydrophobicContact CD1-CD2 3.99Å; I530-F542 HydrophobicContact CD1-CE2 3.91Å |
| 531 | S | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.7 | 169.2 | 49.9 | 0 | 0 | 0 | 0 | 109 | P517 S518 D519 G533 | P517-S531 CarbonylContact C-O 3.55Å; P517-S531 WeakPolarHBondContact CA-O 3.48Å; S518-S531 PolarHBondContact N-O 2.85Å; S518-S531 WeakPolarHBondContact OG-CB 3.42Å; S518-S531 PolarHBondContact OG-O 3.39Å; S518-S531 VanDerWaalsContact OG-O 3.07Å; S518-S531 PolarHBondContact OG-OG 3.26Å; D519-S531 WeakPolarHBondContact CA-OG 3.18Å; D519-S531 WeakPolarHBondContact CB-OG 3.14Å; D519-S531 PolarHBondContact N-OG 3.33Å; D519-S531 PolarHBondContact O-N 3.28Å; D519-S531 PolarHBondContact O-OG 2.73Å; S531-G533 VanDerWaalsContact C-N 3.29Å; S531-G533 PolarHBondContact O-N 2.92Å |
| 532 | D | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 71.8 | 177.1 | -168.1 | 17.6 | 0 | 0 | 0 | 107.3 | F514 C515 N536 S537 R538 V540 | F514-D532 WeakPolarHBondContact CA-OD1 3.5Å; F514-D532 WeakPolarHBondContact CB-OD1 3.36Å; F514-D532 HydrophobicContact CD1-CB 4.12Å; C515-D532 PolarHBondContact N-OD1 3.22Å; D532-N536 HydrophobicContact CB-CB 4.37Å; D532-N536 CarbonylContact O-C 3.59Å; D532-N536 WeakPolarHBondContact O-CB 3.37Å; D532-N536 PolarHBondContact OD2-ND2 3.42Å; D532-S537 PolarHBondContact O-N 3.38Å; D532-S537 VanDerWaalsContact O-N 3.12Å; D532-R538 HydrophobicContact CB-CG 3.76Å; D532-R538 PolarHBondContact N-O 2.59Å; D532-R538 PolarHBondContact O-N 2.84Å; D532-R538 IonicContact OD2-CZ 2.69Å; D532-R538 IonicContact OD2-NE 3.73Å; D532-R538 PolarHBondContact OD2-NE 2.81Å; D532-R538 IonicContact OD2-NH2 3.17Å; D532-R538 PolarHBondContact OD2-NH2 3.35Å; D532-V540 HydrophobicContact CB-CG2 4.3Å |
| 533 | G | 83.4 | Confident | 93 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -83.8 | -53.8 | -149.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S531 C535 S537 V603 | S531-G533 VanDerWaalsContact C-N 3.29Å; S531-G533 PolarHBondContact O-N 2.92Å; G533-C535 PolarHBondContact O-N 3Å; G533-S537 PolarHBondContact O-N 3.5Å; G533-V603 VanDerWaalsContact CA-O 3.31Å; G533-V603 WeakPolarHBondContact CA-O 3.44Å | ||
| 534 | Y | 85 | Confident | 92.9 | Very high | 24 Ų | 24 | 17.8 Ų | 17.8 | 9% | 0.094 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23 | -161 | -74.4 | -91.1 | 0 | 0 | 0 | 115.3 | W396 H442 Q516 V602 H604 | W396-Y534 AromaticContact CH2-CD1 3.95Å; W396-Y534 HydrophobicContact CH2-CD1 3.95Å; W396-Y534 AromaticContact CH2-CD2 3.9Å; W396-Y534 HydrophobicContact CH2-CD2 3.9Å; W396-Y534 AromaticContact CH2-CE1 3.57Å; W396-Y534 HydrophobicContact CH2-CE1 3.57Å; W396-Y534 AromaticContact CH2-CE2 3.53Å; W396-Y534 HydrophobicContact CH2-CE2 3.53Å; W396-Y534 HydrophobicContact CH2-CG 4.09Å; W396-Y534 AromaticContact CH2-CZ 3.33Å; W396-Y534 HydrophobicContact CZ2-CD1 4.41Å; W396-Y534 HydrophobicContact CZ2-CE1 4.28Å; W396-Y534 HydrophobicContact CZ3-CE1 4.15Å; W396-Y534 AromaticContact CZ3-CE2 3.92Å; W396-Y534 HydrophobicContact CZ3-CE2 3.92Å; W396-Y534 AromaticContact CZ3-CZ 3.59Å; W396-Y534 WeakPolarHBondContact CZ3-OH 3.39Å; H442-Y534 AromaticContact NE2-CE2 3.83Å; H442-Y534 AromaticContact NE2-CZ 3.91Å; H442-Y534 PolarHBondContact NE2-OH 3.23Å; H442-Y534 VanDerWaalsContact NE2-OH 3.08Å; Q516-Y534 HydrophobicContact CB-CD2 4.24Å; Q516-Y534 HydrophobicContact CB-CG 4.39Å; Q516-Y534 VanDerWaalsContact OE1-CB 3.25Å; Y534-V602 HydrophobicContact CD1-CG1 3.75Å; Y534-V602 HydrophobicContact CD1-CG2 4.1Å; Y534-V602 HydrophobicContact CD2-CG1 4.27Å; Y534-V602 HydrophobicContact CE1-CG1 3.84Å; Y534-V602 HydrophobicContact CE2-CG1 4.33Å; Y534-V602 HydrophobicContact CG-CG1 3.99Å; Y534-H604 AromaticContact CZ-CD2 3.81Å; Y534-H604 PolarHBondContact OH-CD2 3.07Å; Y534-H604 VanDerWaalsContact OH-CD2 3.24Å; Y534-H604 PolarHBondContact OH-NE2 3.23Å; Y534-H604 VanDerWaalsContact OH-NE2 3.11Å |
| 535 | C | 84.9 | Confident | 92.9 | Very high | 34 Ų | 34 | 18.9 Ų | 18.9 | 23% | 0.23 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -18.3 | 175.6 | -4.9 | 0 | 0 | 0 | 0 | 114.5 | F405 C515 G533 | F405-C535 HydrophobicContact CD1-CB 4.18Å; F405-C535 VanDerWaalsContact CD1-SG 3.55Å; F405-C535 HydrophobicContact CD2-CB 4.26Å; F405-C535 HydrophobicContact CE1-CB 3.9Å; F405-C535 HydrophobicContact CE2-CB 3.99Å; F405-C535 HydrophobicContact CG-CB 4.35Å; F405-C535 HydrophobicContact CZ-CB 3.8Å; C515-C535 HydrophobicContact CB-CB 3.57Å; C515-C535 WeakPolarHBondContact CB-SG 3.33Å; C515-C535 PolarHBondContact O-SG 3.47Å; C515-C535 WeakPolarHBondContact SG-CB 3.1Å; C515-C535 CovalentContact SG-SG 2.03Å; C515-C535 PolarHBondContact SG-SG 3.32Å; G533-C535 PolarHBondContact O-N 3Å |
| 536 | N | 88.7 | Confident | 93 | Very high | 36 Ų | 36 | 16 Ų | 16 | 19% | 0.193 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -9.3 | -171.3 | -69.6 | -25.3 | 0 | 0 | 0 | 114.3 | G508 N509 C515 D532 R538 | G508-N536 PolarHBondContact O-ND2 3.33Å; N509-N536 WeakPolarHBondContact CB-OD1 3.44Å; C515-N536 WeakPolarHBondContact CB-ND2 3.34Å; C515-N536 PolarHBondContact N-ND2 3.37Å; D532-N536 HydrophobicContact CB-CB 4.37Å; D532-N536 CarbonylContact O-C 3.59Å; D532-N536 WeakPolarHBondContact O-CB 3.37Å; D532-N536 PolarHBondContact OD2-ND2 3.42Å; N536-R538 HydrophobicContact CB-CG 4Å; N536-R538 PolarHBondContact O-N 2.95Å |
| 537 | S | 87.4 | Confident | 93.1 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 12% | 0.119 | 12% | 0.115 | C | C | . | . | trans | 44.5 | 39 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 115.6 | D532 G533 S553 V554 F600 K601 | D532-S537 PolarHBondContact O-N 3.38Å; D532-S537 VanDerWaalsContact O-N 3.12Å; G533-S537 PolarHBondContact O-N 3.5Å; S537-S553 WeakPolarHBondContact O-CA 3.14Å; S537-S553 PolarHBondContact O-OG 3.37Å; S537-V554 PolarHBondContact O-N 3Å; S537-F600 WeakPolarHBondContact CB-O 3.48Å; S537-F600 PolarHBondContact OG-O 3.14Å; S537-K601 PolarHBondContact OG-O 2.89Å | ||
| 538 | R | 91 | Very high | 93.1 | Very high | 9 Ų | 9 | 22 Ų | 22 | 3% | 0.034 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158 | -173.3 | 69.2 | 178.7 | 179.4 | 172.8 | -3.8 | 113.7 | N509 N510 Q513 D532 N536 V540 E551 W552 | N509-R538 PolarHBondContact O-NH1 2.86Å; N510-R538 PolarHBondContact O-NH2 3.01Å; Q513-R538 PolarHBondContact O-NH2 3.05Å; D532-R538 HydrophobicContact CB-CG 3.76Å; D532-R538 PolarHBondContact N-O 2.59Å; D532-R538 PolarHBondContact O-N 2.84Å; D532-R538 IonicContact OD2-CZ 2.69Å; D532-R538 IonicContact OD2-NE 3.73Å; D532-R538 PolarHBondContact OD2-NE 2.81Å; D532-R538 IonicContact OD2-NH2 3.17Å; D532-R538 PolarHBondContact OD2-NH2 3.35Å; N536-R538 HydrophobicContact CB-CG 4Å; N536-R538 PolarHBondContact O-N 2.95Å; R538-V540 HydrophobicContact CG-CG2 3.94Å; R538-E551 WeakPolarHBondContact CD-OE1 3.45Å; R538-E551 IonicContact CZ-OE1 3.64Å; R538-E551 IonicContact CZ-OE2 2.68Å; R538-E551 IonicContact NH1-OE1 3.67Å; R538-E551 PolarHBondContact NH1-OE1 3.04Å; R538-E551 IonicContact NH1-OE2 3.47Å; R538-E551 PolarHBondContact NH1-OE2 3.41Å; R538-W552 WeakPolarHBondContact CA-O 3.41Å; R538-W552 WeakPolarHBondContact CB-O 3.3Å |
| 539 | I | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 167.8 | -58.7 | 173.7 | 0 | 0 | 0 | 107.2 | F529 I530 E551 W552 V554 V603 L606 A621 Y632 | F529-I539 HydrophobicContact CB-CG2 4.27Å; F529-I539 HydrophobicContact CD1-CG2 4.37Å; I530-I539 WeakPolarHBondContact O-CA 3.34Å; I539-E551 VanDerWaalsContact O-CA 3.29Å; I539-E551 WeakPolarHBondContact O-CA 3.2Å; I539-E551 WeakPolarHBondContact O-CB 3.49Å; I539-W552 HydrophobicContact CB-CZ2 4.06Å; I539-W552 HydrophobicContact CG2-CH2 4.24Å; I539-W552 HydrophobicContact CG2-CZ2 3.71Å; I539-W552 PolarHBondContact N-O 3.16Å; I539-W552 PolarHBondContact O-N 3Å; I539-V554 HydrophobicContact CD1-CG2 3.9Å; I539-V554 HydrophobicContact CG1-CG2 3.87Å; I539-V603 HydrophobicContact CG1-CG1 4.28Å; I539-L606 HydrophobicContact CD1-CD2 4.06Å; I539-L606 HydrophobicContact CG1-CD2 4.35Å; I539-A621 HydrophobicContact CD1-CB 3.77Å; I539-Y632 HydrophobicContact CD1-CD2 4.34Å; I539-Y632 HydrophobicContact CD1-CE2 4.29Å |
| 540 | V | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.1 | 179.5 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | F514 F529 I530 D532 R538 F542 Y548 E551 | F514-V540 HydrophobicContact CE1-CB 4.35Å; F514-V540 HydrophobicContact CE1-CG2 4.23Å; F529-V540 WeakPolarHBondContact CA-O 3.38Å; I530-V540 PolarHBondContact N-O 3.3Å; I530-V540 PolarHBondContact O-N 2.92Å; D532-V540 HydrophobicContact CB-CG2 4.3Å; R538-V540 HydrophobicContact CG-CG2 3.94Å; V540-F542 HydrophobicContact CB-CE2 3.85Å; V540-F542 HydrophobicContact CG1-CD2 4.04Å; V540-F542 HydrophobicContact CG1-CE2 3.28Å; V540-F542 HydrophobicContact CG1-CZ 3.67Å; V540-Y548 HydrophobicContact CG1-CD2 3.85Å; V540-Y548 HydrophobicContact CG1-CE2 3.8Å; V540-E551 HydrophobicContact CB-CB 4.39Å; V540-E551 HydrophobicContact CG1-CB 4.25Å; V540-E551 HydrophobicContact CG2-CB 4.18Å |
| 541 | K | 97.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.5 | -179.6 | -174.6 | -176.5 | 179.8 | 173.9 | 0 | 111 | D527 I528 F529 I549 T550 W552 L634 | D527-K541 WeakPolarHBondContact OD2-CE 3.44Å; D527-K541 IonicContact OD2-NZ 2.74Å; D527-K541 PolarHBondContact OD2-NZ 3.24Å; I528-K541 CarbonylContact O-C 3.46Å; I528-K541 WeakPolarHBondContact O-CA 3.31Å; F529-K541 HydrophobicContact CD1-CB 4.46Å; F529-K541 HydrophobicContact CD1-CG 4.35Å; F529-K541 HydrophobicContact CE1-CB 4.45Å; F529-K541 HydrophobicContact CE1-CD 3.94Å; F529-K541 HydrophobicContact CE1-CG 3.98Å; F529-K541 HydrophobicContact CZ-CD 4.08Å; F529-K541 HydrophobicContact CZ-CG 4.19Å; K541-I549 HydrophobicContact CD-CB 4.35Å; K541-I549 HydrophobicContact CD-CD1 4.41Å; K541-I549 HydrophobicContact CD-CG2 4.16Å; K541-I549 HydrophobicContact CG-CB 4.25Å; K541-I549 HydrophobicContact CG-CD1 4.32Å; K541-I549 PolarHBondContact O-N 3.36Å; K541-T550 WeakPolarHBondContact CA-O 3.28Å; K541-T550 HydrophobicContact CB-CG2 4.09Å; K541-T550 WeakPolarHBondContact CB-O 3.5Å; K541-T550 HydrophobicContact CD-CG2 4.23Å; K541-T550 PolarHBondContact N-O 3.06Å; K541-T550 PolarHBondContact O-N 3.31Å; K541-W552 HydrophobicContact CB-CH2 4.4Å; K541-W552 HydrophobicContact CB-CZ3 4.13Å; K541-L634 WeakPolarHBondContact CD-O 3.07Å; K541-L634 WeakPolarHBondContact CE-O 3.46Å; K541-L634 PolarHBondContact NZ-O 2.89Å |
| 542 | F | 97.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 156.2 | 173.4 | -62.5 | -98.7 | 0 | 0 | 0 | 111.2 | L501 F514 D527 I528 I530 V540 G546 T547 Y548 | L501-F542 HydrophobicContact CD1-CD1 4.4Å; L501-F542 HydrophobicContact CD1-CD2 4.26Å; L501-F542 HydrophobicContact CD1-CE2 4.46Å; L501-F542 HydrophobicContact CD1-CG 4.24Å; L501-F542 HydrophobicContact CD2-CD1 4.43Å; L501-F542 HydrophobicContact CD2-CE1 4.43Å; F514-F542 HydrophobicContact CE1-CE2 4Å; F514-F542 HydrophobicContact CE1-CZ 4.15Å; F514-F542 AromaticContact CZ-CE2 3.7Å; F514-F542 HydrophobicContact CZ-CE2 3.7Å; F514-F542 AromaticContact CZ-CZ 3.75Å; F514-F542 HydrophobicContact CZ-CZ 3.75Å; D527-F542 CarbonylContact C-O 3.57Å; D527-F542 WeakPolarHBondContact CA-O 3.39Å; I528-F542 HydrophobicContact CB-CB 4.28Å; I528-F542 HydrophobicContact CD1-CB 4.1Å; I528-F542 PolarHBondContact N-O 2.99Å; I528-F542 PolarHBondContact O-N 2.57Å; I530-F542 HydrophobicContact CD1-CD2 3.99Å; I530-F542 HydrophobicContact CD1-CE2 3.91Å; V540-F542 HydrophobicContact CB-CE2 3.85Å; V540-F542 HydrophobicContact CG1-CD2 4.04Å; V540-F542 HydrophobicContact CG1-CE2 3.28Å; V540-F542 HydrophobicContact CG1-CZ 3.67Å; F542-G546 WeakPolarHBondContact CD1-O 3.35Å; F542-T547 CarbonylContact C-O 3.48Å; F542-T547 WeakPolarHBondContact CA-O 3.48Å; F542-T547 WeakPolarHBondContact CB-O 3.45Å; F542-Y548 HydrophobicContact CE1-CD2 4.38Å; F542-Y548 HydrophobicContact CZ-CD2 4.43Å |
| 543 | S | 95.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | trans | -71.7 | 166.2 | 167.7 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | I528 D545 G546 T547 | I528-S543 WeakPolarHBondContact CD1-O 3.24Å; S543-D545 VanDerWaalsContact CB-OD1 3.26Å; S543-D545 WeakPolarHBondContact CB-OD1 3.48Å; S543-D545 PolarHBondContact O-N 3.24Å; S543-D545 PolarHBondContact OG-OD1 2.8Å; S543-G546 PolarHBondContact O-N 3.38Å; S543-T547 PolarHBondContact N-O 3.13Å; S543-T547 WeakPolarHBondContact OG-CB 3.41Å; S543-T547 PolarHBondContact OG-N 3.38Å; S543-T547 PolarHBondContact OG-O 3.15Å; S543-T547 PolarHBondContact OG-OG1 3.32Å | ||
| 544 | S | 93 | Very high | 90.9 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.5 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 115.9 | K488 G526 | K488-S544 PolarHBondContact NZ-O 3.47Å; G526-S544 WeakPolarHBondContact O-CA 3.45Å; G526-S544 WeakPolarHBondContact O-CB 3.5Å |
| 545 | D | 91.8 | Very high | 89.7 | Confident | 105 Ų | 105 | 36.2 Ų | 36.2 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -5.2 | 174.6 | 65.5 | -37.5 | 0 | 0 | 0 | 114.1 | S543 | S543-D545 VanDerWaalsContact CB-OD1 3.26Å; S543-D545 WeakPolarHBondContact CB-OD1 3.48Å; S543-D545 PolarHBondContact O-N 3.24Å; S543-D545 PolarHBondContact OG-OD1 2.8Å |
| 546 | G | 94.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 96.3 | 16.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F542 S543 | F542-G546 WeakPolarHBondContact CD1-O 3.35Å; S543-G546 PolarHBondContact O-N 3.38Å |
| 547 | T | 95.9 | Very high | 85.5 | Confident | 77 Ų | 77 | 35.6 Ų | 35.6 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | trans | -78.7 | 137 | 170.6 | 77.1 | 0 | 0 | 0 | 0 | 110.2 | F542 S543 I549 | F542-T547 CarbonylContact C-O 3.48Å; F542-T547 WeakPolarHBondContact CA-O 3.48Å; F542-T547 WeakPolarHBondContact CB-O 3.45Å; S543-T547 PolarHBondContact N-O 3.13Å; S543-T547 WeakPolarHBondContact OG-CB 3.41Å; S543-T547 PolarHBondContact OG-N 3.38Å; S543-T547 PolarHBondContact OG-O 3.15Å; S543-T547 PolarHBondContact OG-OG1 3.32Å; T547-I549 PolarHBondContact O-N 2.89Å | ||
| 548 | Y | 97 | Very high | 82.9 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 131.2 | 177 | 170.8 | -84.3 | 0 | 0 | 0 | 110.2 | K511 V540 F542 E551 | K511-Y548 HydrophobicContact CB-CD1 4.27Å; K511-Y548 HydrophobicContact CB-CD2 3.72Å; K511-Y548 HydrophobicContact CB-CE2 4.03Å; K511-Y548 HydrophobicContact CB-CG 3.86Å; V540-Y548 HydrophobicContact CG1-CD2 3.85Å; V540-Y548 HydrophobicContact CG1-CE2 3.8Å; F542-Y548 HydrophobicContact CE1-CD2 4.38Å; F542-Y548 HydrophobicContact CZ-CD2 4.43Å; Y548-E551 HydrophobicContact CE2-CB 4.31Å; Y548-E551 HydrophobicContact CE2-CG 4.46Å; Y548-E551 WeakPolarHBondContact CE2-OE2 3.4Å; Y548-E551 WeakPolarHBondContact OH-CG 3.25Å; Y548-E551 PolarHBondContact OH-N 3.2Å; Y548-E551 PolarHBondContact OH-OE2 3.1Å |
| 549 | I | 96.2 | Very high | 80.2 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 39% | 0.39 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -58.9 | 176.6 | -62.6 | 176.2 | 0 | 0 | 0 | 110.3 | K541 T547 | K541-I549 HydrophobicContact CD-CB 4.35Å; K541-I549 HydrophobicContact CD-CD1 4.41Å; K541-I549 HydrophobicContact CD-CG2 4.16Å; K541-I549 HydrophobicContact CG-CB 4.25Å; K541-I549 HydrophobicContact CG-CD1 4.32Å; K541-I549 PolarHBondContact O-N 3.36Å; T547-I549 PolarHBondContact O-N 2.89Å |
| 550 | T | 94.8 | Very high | 77.2 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 169.3 | -176.8 | -165.1 | 0 | 0 | 0 | 0 | 109.7 | K541 W552 | K541-T550 WeakPolarHBondContact CA-O 3.28Å; K541-T550 HydrophobicContact CB-CG2 4.09Å; K541-T550 WeakPolarHBondContact CB-O 3.5Å; K541-T550 HydrophobicContact CD-CG2 4.23Å; K541-T550 PolarHBondContact N-O 3.06Å; K541-T550 PolarHBondContact O-N 3.31Å; T550-W552 HydrophobicContact CG2-CE3 4.08Å; T550-W552 HydrophobicContact CG2-CZ3 3.79Å |
| 551 | E | 93.3 | Very high | 74.4 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.8 | 167.5 | 67.4 | -167.2 | -128.3 | 0 | 0 | 109.8 | R538 I539 V540 Y548 | R538-E551 WeakPolarHBondContact CD-OE1 3.45Å; R538-E551 IonicContact CZ-OE1 3.64Å; R538-E551 IonicContact CZ-OE2 2.68Å; R538-E551 IonicContact NH1-OE1 3.67Å; R538-E551 PolarHBondContact NH1-OE1 3.04Å; R538-E551 IonicContact NH1-OE2 3.47Å; R538-E551 PolarHBondContact NH1-OE2 3.41Å; I539-E551 VanDerWaalsContact O-CA 3.29Å; I539-E551 WeakPolarHBondContact O-CA 3.2Å; I539-E551 WeakPolarHBondContact O-CB 3.49Å; V540-E551 HydrophobicContact CB-CB 4.39Å; V540-E551 HydrophobicContact CG1-CB 4.25Å; V540-E551 HydrophobicContact CG2-CB 4.18Å; Y548-E551 HydrophobicContact CE2-CB 4.31Å; Y548-E551 HydrophobicContact CE2-CG 4.46Å; Y548-E551 WeakPolarHBondContact CE2-OE2 3.4Å; Y548-E551 WeakPolarHBondContact OH-CG 3.25Å; Y548-E551 PolarHBondContact OH-N 3.2Å; Y548-E551 PolarHBondContact OH-OE2 3.1Å |
| 552 | W | 89.6 | Confident | 71.5 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.2 | 165 | 53.7 | 97.2 | 0 | 0 | 0 | 108.1 | F529 R538 I539 K541 T550 V619 Y632 G636 | F529-W552 AromaticContact CD1-CH2 3.86Å; F529-W552 HydrophobicContact CD1-CH2 3.86Å; F529-W552 HydrophobicContact CD1-CZ2 4.33Å; F529-W552 AromaticContact CE1-CH2 3.81Å; F529-W552 HydrophobicContact CE1-CH2 3.81Å; R538-W552 WeakPolarHBondContact CA-O 3.41Å; R538-W552 WeakPolarHBondContact CB-O 3.3Å; I539-W552 HydrophobicContact CB-CZ2 4.06Å; I539-W552 HydrophobicContact CG2-CH2 4.24Å; I539-W552 HydrophobicContact CG2-CZ2 3.71Å; I539-W552 PolarHBondContact N-O 3.16Å; I539-W552 PolarHBondContact O-N 3Å; K541-W552 HydrophobicContact CB-CH2 4.4Å; K541-W552 HydrophobicContact CB-CZ3 4.13Å; T550-W552 HydrophobicContact CG2-CE3 4.08Å; T550-W552 HydrophobicContact CG2-CZ3 3.79Å; W552-V619 HydrophobicContact CZ2-CG1 4.05Å; W552-Y632 AromaticContact CD1-CE1 3.98Å; W552-Y632 AromaticContact NE1-CD1 3.73Å; W552-Y632 AromaticContact NE1-CE1 3.94Å; W552-Y632 AromaticContact NE1-CG 3.81Å; W552-G636 VanDerWaalsContact CE2-CA 3.47Å |
| 553 | S | 79.8 | Confident | 68.5 | Low | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 150.1 | 160.8 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | S537 L555 | S537-S553 WeakPolarHBondContact O-CA 3.14Å; S537-S553 PolarHBondContact O-OG 3.37Å; S553-L555 CarbonylContact O-C 3.52Å; S553-L555 PolarHBondContact O-N 3.26Å; S553-L555 VanDerWaalsContact OG-CB 3.29Å; S553-L555 WeakPolarHBondContact OG-CB 3.45Å; S553-L555 PolarHBondContact OG-N 3.06Å |
| 554 | V | 66.4 | Low | 65.7 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -66.1 | -18.4 | 170 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | S537 I539 G556 F600 V603 L630 Y632 | S537-V554 PolarHBondContact O-N 3Å; I539-V554 HydrophobicContact CD1-CG2 3.9Å; I539-V554 HydrophobicContact CG1-CG2 3.87Å; V554-G556 VanDerWaalsContact C-N 3.25Å; V554-G556 PolarHBondContact O-N 2.86Å; V554-F600 VanDerWaalsContact C-CE2 3.48Å; V554-F600 HydrophobicContact CB-CB 4.27Å; V554-F600 HydrophobicContact CB-CD1 3.59Å; V554-F600 HydrophobicContact CB-CD2 4.1Å; V554-F600 HydrophobicContact CB-CE1 4.07Å; V554-F600 HydrophobicContact CB-CE2 4.46Å; V554-F600 HydrophobicContact CB-CG 3.66Å; V554-F600 HydrophobicContact CB-CZ 4.47Å; V554-F600 HydrophobicContact CG1-CD1 3.25Å; V554-F600 HydrophobicContact CG1-CD2 4.18Å; V554-F600 HydrophobicContact CG1-CE1 3.24Å; V554-F600 HydrophobicContact CG1-CE2 4.11Å; V554-F600 HydrophobicContact CG1-CG 3.79Å; V554-F600 HydrophobicContact CG1-CZ 3.69Å; V554-F600 WeakPolarHBondContact O-CD2 3.4Å; V554-F600 WeakPolarHBondContact O-CE2 3.27Å; V554-V603 HydrophobicContact CB-CG2 4.2Å; V554-V603 HydrophobicContact CG2-CB 4.48Å; V554-V603 HydrophobicContact CG2-CG1 4.2Å; V554-V603 HydrophobicContact CG2-CG2 3.42Å; V554-V603 VanDerWaalsContact CG2-CG2 3.42Å; V554-L630 HydrophobicContact CG1-CB 4.31Å; V554-L630 HydrophobicContact CG1-CD1 4.12Å; V554-L630 HydrophobicContact CG1-CD2 4.11Å; V554-L630 HydrophobicContact CG1-CG 4.39Å; V554-Y632 WeakPolarHBondContact CA-OH 3.27Å; V554-Y632 HydrophobicContact CG1-CE2 4.22Å; V554-Y632 WeakPolarHBondContact CG1-OH 3.22Å; V554-Y632 PolarHBondContact O-OH 2.86Å; V554-Y632 VanDerWaalsContact O-OH 3.06Å |
| 555 | L | 59.4 | Low | 63 | Low | 66 Ų | 66 | 75.7 Ų | 75.7 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | trans | -60.8 | 78.3 | 154.4 | -65.2 | 162.9 | 0 | 0 | 0 | 111.6 | S553 L557 L598 F600 | S553-L555 CarbonylContact O-C 3.52Å; S553-L555 PolarHBondContact O-N 3.26Å; S553-L555 VanDerWaalsContact OG-CB 3.29Å; S553-L555 WeakPolarHBondContact OG-CB 3.45Å; S553-L555 PolarHBondContact OG-N 3.06Å; L555-L557 PolarHBondContact O-N 2.87Å; L555-L598 WeakPolarHBondContact CD2-O 3.19Å; L555-F600 HydrophobicContact CB-CD2 4.35Å; L555-F600 HydrophobicContact CD2-CD2 3.88Å; L555-F600 HydrophobicContact CG-CB 4.34Å; L555-F600 HydrophobicContact CG-CD2 3.84Å | ||
| 556 | G | 43 | Very low | 60.4 | Low | 22 Ų | 22 | 73.5 Ų | 73.5 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | trans | -71 | 12.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V554 Y712 | V554-G556 VanDerWaalsContact C-N 3.25Å; V554-G556 PolarHBondContact O-N 2.86Å; G556-Y712 WeakPolarHBondContact CA-OH 3.45Å; G556-Y712 PolarHBondContact O-OH 3.2Å | ||
| 557 | L | 41.3 | Very low | 57.6 | Low | 35 Ų | 35 | 77.9 Ų | 77.9 | 18% | 0.183 | 39% | 0.393 | C | S | . | . | trans | -112.6 | 93.8 | 176.9 | -66.6 | 170.3 | 0 | 0 | 0 | 109 | L555 E561 Y562 L598 Y712 | L555-L557 PolarHBondContact O-N 2.87Å; L557-E561 HydrophobicContact CD2-CB 4.39Å; L557-Y562 HydrophobicContact CD1-CD2 3.98Å; L557-L598 HydrophobicContact CD1-CD1 3.84Å; L557-Y712 HydrophobicContact CD2-CD2 4.25Å; L557-Y712 HydrophobicContact CD2-CE1 4.45Å; L557-Y712 HydrophobicContact CD2-CE2 3.9Å; L557-Y712 HydrophobicContact CG-CD1 4.46Å; L557-Y712 HydrophobicContact CG-CE1 4.1Å; L557-Y712 HydrophobicContact CG-CE2 4.44Å | ||
| 558 | S | 34.1 | Very low | 54.6 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -58 | 147.9 | 150.9 | 71.6 | 0 | 0 | 0 | 0 | 108.2 | R560 E561 Y562 | S558-R560 PolarHBondContact O-N 2.95Å; S558-E561 WeakPolarHBondContact O-CB 3.33Å; S558-E561 PolarHBondContact O-N 3.05Å; S558-E561 PolarHBondContact OG-N 2.88Å; S558-Y562 PolarHBondContact O-N 3.14Å | ||
| 559 | S | 34.1 | Very low | 51.4 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 76% | 0.755 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.5 | -23.2 | -177.9 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 560 | R | 31.7 | Very low | 48.1 | Very low | 202 Ų | 202 | 80.4 Ų | 80.4 | 76% | 0.762 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.4 | -35.4 | 172.4 | -72.3 | -175.9 | 170.1 | -170.4 | -2.2 | 114.3 | S558 Q563 Y564 | S558-R560 PolarHBondContact O-N 2.95Å; R560-Q563 PolarHBondContact O-N 2.87Å; R560-Y564 PolarHBondContact O-N 3.07Å |
| 561 | E | 36.2 | Very low | 45 | Very low | 99 Ų | 99 | 81.1 Ų | 81.1 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.4 | -40.5 | -177.6 | -157.9 | 156.3 | -169.7 | 0 | 0 | 110.1 | L557 S558 Q563 Y564 D565 | L557-E561 HydrophobicContact CD2-CB 4.39Å; S558-E561 WeakPolarHBondContact O-CB 3.33Å; S558-E561 PolarHBondContact O-N 3.05Å; S558-E561 PolarHBondContact OG-N 2.88Å; E561-Q563 VanDerWaalsContact C-N 3.3Å; E561-Q563 PolarHBondContact O-N 2.79Å; E561-Y564 PolarHBondContact O-N 2.8Å; E561-D565 PolarHBondContact O-N 2.93Å |
| 562 | Y | 37.5 | Very low | 41.9 | Very low | 89 Ų | 89 | 81.2 Ų | 81.2 | 35% | 0.349 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.1 | -44.1 | 170 | -175.7 | -106.7 | 0 | 0 | 0 | 112.6 | L557 S558 Y564 T566 L598 | L557-Y562 HydrophobicContact CD1-CD2 3.98Å; S558-Y562 PolarHBondContact O-N 3.14Å; Y562-Y564 VanDerWaalsContact C-N 3.31Å; Y562-Y564 PolarHBondContact O-N 3.01Å; Y562-T566 HydrophobicContact CD1-CG2 4.45Å; Y562-T566 HydrophobicContact CD2-CG2 3.7Å; Y562-T566 HydrophobicContact CE1-CG2 4.26Å; Y562-T566 HydrophobicContact CE2-CG2 3.49Å; Y562-T566 VanDerWaalsContact CE2-CG2 3.49Å; Y562-T566 HydrophobicContact CG-CG2 4.2Å; Y562-T566 WeakPolarHBondContact O-CB 3.14Å; Y562-T566 VanDerWaalsContact O-CG2 3.31Å; Y562-T566 WeakPolarHBondContact O-CG2 3.36Å; Y562-T566 PolarHBondContact O-N 2.85Å; Y562-T566 VanDerWaalsContact O-N 3.15Å; Y562-T566 PolarHBondContact O-OG1 2.81Å; Y562-L598 HydrophobicContact CD2-CD1 4.3Å; Y562-L598 HydrophobicContact CE2-CD1 3.91Å |
| 563 | Q | 33.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 86.5 Ų | 86.5 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.8 | -24.7 | -175.5 | -162.9 | 174.1 | 15 | 0 | 0 | 113.9 | R560 E561 | R560-Q563 PolarHBondContact O-N 2.87Å; E561-Q563 VanDerWaalsContact C-N 3.3Å; E561-Q563 PolarHBondContact O-N 2.79Å |
| 564 | Y | 36.5 | Very low | 37.2 | Very low | 172 Ų | 172 | 89.6 Ų | 89.6 | 68% | 0.675 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -91.2 | -42.1 | 176.1 | -88.1 | -89.7 | 0 | 0 | 0 | 112.7 | R560 E561 Y562 H568 | R560-Y564 PolarHBondContact O-N 3.07Å; E561-Y564 PolarHBondContact O-N 2.8Å; Y562-Y564 VanDerWaalsContact C-N 3.31Å; Y562-Y564 PolarHBondContact O-N 3.01Å; Y564-H568 PolarHBondContact O-N 2.83Å |
| 565 | D | 37.3 | Very low | 35.8 | Very low | 66 Ų | 66 | 92.2 Ų | 92.2 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.7 | -22.7 | -175.6 | -112.7 | 23.3 | 0 | 0 | 0 | 113.7 | E561 N710 | E561-D565 PolarHBondContact O-N 2.93Å; D565-N710 VanDerWaalsContact CG-ND2 3.3Å; D565-N710 PolarHBondContact OD2-ND2 2.8Å |
| 566 | T | 37.5 | Very low | 34.7 | Very low | 59 Ų | 59 | 98.1 Ų | 98.1 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.4 | 176.1 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | Y562 W713 | Y562-T566 HydrophobicContact CD1-CG2 4.45Å; Y562-T566 HydrophobicContact CD2-CG2 3.7Å; Y562-T566 HydrophobicContact CE1-CG2 4.26Å; Y562-T566 HydrophobicContact CE2-CG2 3.49Å; Y562-T566 VanDerWaalsContact CE2-CG2 3.49Å; Y562-T566 HydrophobicContact CG-CG2 4.2Å; Y562-T566 WeakPolarHBondContact O-CB 3.14Å; Y562-T566 VanDerWaalsContact O-CG2 3.31Å; Y562-T566 WeakPolarHBondContact O-CG2 3.36Å; Y562-T566 PolarHBondContact O-N 2.85Å; Y562-T566 VanDerWaalsContact O-N 3.15Å; Y562-T566 PolarHBondContact O-OG1 2.81Å; T566-W713 HydrophobicContact CG2-CZ2 4.28Å |
| 567 | I | 34.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 55% | 0.549 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -22.9 | -172.9 | -54.4 | -177.5 | 0 | 0 | 0 | 111.6 | ||
| 568 | H | 32.7 | Very low | 34 | Very low | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | trans | -131.3 | 73.1 | -171.7 | -61.1 | -48.9 | 0 | 0 | 0 | 113.8 | Y564 P570 | Y564-H568 PolarHBondContact O-N 2.83Å; H568-P570 WeakPolarHBondContact O-CD 3.45Å | ||
| 569 | M | 28.6 | Very low | 33.9 | Very low | 112 Ų | 112 | 108.5 Ų | 108.5 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -57.7 | 121.6 | 142.2 | -163.4 | -173.2 | 78.9 | 0 | 0 | 106.4 | P216 V571 | P216-M569 HydrophobicContact CB-CE 4.08Å; P216-M569 HydrophobicContact CG-CE 3.72Å; P216-M569 HydrophobicContact CG-SD 3.76Å; M569-V571 PolarHBondContact O-N 2.85Å |
| 570 | P | 28.7 | Very low | 33.8 | Very low | 57 Ų | 57 | 108.2 Ų | 108.2 | 37% | 0.37 | 56% | 0.562 | S | S | . | * | trans | -72.9 | 95.6 | -165.4 | 22.2 | -28.5 | 0 | 0 | 0 | 111.1 | H568 S572 K707 | H568-P570 WeakPolarHBondContact O-CD 3.45Å; P570-S572 PolarHBondContact O-N 2.82Å; P570-K707 HydrophobicContact CB-CB 4.49Å; P570-K707 HydrophobicContact CB-CD 4.1Å; P570-K707 WeakPolarHBondContact CD-O 3.26Å; P570-K707 HydrophobicContact CG-CB 3.56Å; P570-K707 HydrophobicContact CG-CD 4.01Å; P570-K707 HydrophobicContact CG-CG 3.94Å; P570-K707 WeakPolarHBondContact CG-O 3.32Å | ||
| 571 | V | 28.5 | Very low | 33.7 | Very low | 66 Ų | 66 | 105.5 Ų | 105.5 | 40% | 0.4 | 56% | 0.558 | S | S | . | * | trans | -45.2 | 127.2 | 164.9 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | M569 Q575 W578 | M569-V571 PolarHBondContact O-N 2.85Å; V571-Q575 HydrophobicContact CG1-CB 3.41Å; V571-Q575 VanDerWaalsContact CG1-CB 3.41Å; V571-Q575 HydrophobicContact CG1-CG 4.44Å; V571-W578 HydrophobicContact CG1-CG 4.43Å; V571-W578 HydrophobicContact CG2-CE3 4.39Å | ||
| 572 | S | 27.4 | Very low | 33.4 | Very low | 63 Ų | 63 | 107 Ų | 107 | 44% | 0.441 | 57% | 0.569 | S | S | . | * | trans | -60 | 147.5 | -179.5 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | P570 S574 | P570-S572 PolarHBondContact O-N 2.82Å; S572-S574 PolarHBondContact O-N 2.79Å | ||
| 573 | P | 34.9 | Very low | 33 | Very low | 140 Ų | 140 | 108 Ų | 108 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 8.7 | -166.4 | -24.9 | 35.4 | 0 | 0 | 0 | 117.9 | ||
| 574 | S | 37.1 | Very low | 32.7 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 27.8 | 179.6 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | S572 | S572-S574 PolarHBondContact O-N 2.79Š|
| 575 | Q | 37.6 | Very low | 32.4 | Very low | 57 Ų | 57 | 109.5 Ų | 109.5 | 27% | 0.266 | 60% | 0.604 | S | S | . | * | trans | -143.4 | 66.2 | -169.8 | -91.1 | 179.2 | -26.5 | 0 | 0 | 112.8 | V571 D577 W578 | V571-Q575 HydrophobicContact CG1-CB 3.41Å; V571-Q575 VanDerWaalsContact CG1-CB 3.41Å; V571-Q575 HydrophobicContact CG1-CG 4.44Å; Q575-D577 VanDerWaalsContact C-N 3.27Å; Q575-W578 HydrophobicContact CB-CG 4.44Å | ||
| 576 | E | 35.9 | Very low | 32 | Very low | 189 Ų | 189 | 110.9 Ų | 110.9 | 88% | 0.883 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -72.3 | -18.6 | 170.1 | -71.7 | -178.4 | 137.7 | 0 | 0 | 113 | W578 | E576-W578 PolarHBondContact O-N 2.89Š|
| 577 | D | 34.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 114 Ų | 114 | 77% | 0.765 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -68.4 | -1.4 | -179.1 | -67.9 | -36.8 | 0 | 0 | 0 | 115.1 | Q575 | Q575-D577 VanDerWaalsContact C-N 3.27Š|
| 578 | W | 34.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 43% | 0.432 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -87.2 | -22.1 | -174.1 | -74.1 | 55.2 | 0 | 0 | 0 | 113.6 | V571 Q575 E576 S580 | V571-W578 HydrophobicContact CG1-CG 4.43Å; V571-W578 HydrophobicContact CG2-CE3 4.39Å; Q575-W578 HydrophobicContact CB-CG 4.44Å; E576-W578 PolarHBondContact O-N 2.89Å; W578-S580 VanDerWaalsContact C-N 3.34Å; W578-S580 PolarHBondContact O-N 3.48Å |
| 579 | A | 32.4 | Very low | 31.2 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -78.1 | -14.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 580 | S | 30.8 | Very low | 31 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -96.4 | -16.1 | -171.5 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | W578 | W578-S580 VanDerWaalsContact C-N 3.34Å; W578-S580 PolarHBondContact O-N 3.48Å |
| 581 | E | 30.2 | Very low | 31.1 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -94.5 | -4.2 | 174.7 | -81.8 | -163.8 | 171 | 0 | 0 | 113.9 | K309 S583 | K309-E581 IonicContact NZ-OE1 2.84Å; K309-E581 IonicContact NZ-OE2 2.93Å; K309-E581 PolarHBondContact NZ-OE2 2.92Å; E581-S583 PolarHBondContact O-N 3.3Å |
| 582 | L | 29.4 | Very low | 31 | Very low | 131 Ų | 131 | 119 Ų | 119 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -74 | 79.3 | 169.7 | -73.2 | 172.4 | 0 | 0 | 0 | 110.1 | Y584 | L582-Y584 PolarHBondContact O-N 3.49Å; L582-Y584 VanDerWaalsContact O-N 3.15Å | ||
| 583 | S | 29 | Very low | 31.1 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -47.7 | 121.3 | 152.1 | -69.2 | 0 | 0 | 0 | 0 | 107.6 | E581 | E581-S583 PolarHBondContact O-N 3.3Š| ||
| 584 | Y | 28.5 | Very low | 30.8 | Very low | 218 Ų | 218 | 119.6 Ų | 119.6 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | trans | -37.9 | 129.2 | 178.8 | -103.9 | -103.9 | 0 | 0 | 0 | 110.6 | L582 D586 | L582-Y584 PolarHBondContact O-N 3.49Å; L582-Y584 VanDerWaalsContact O-N 3.15Å; Y584-D586 PolarHBondContact O-N 3.5Å; Y584-D586 VanDerWaalsContact O-N 3.1Å | ||
| 585 | P | 29.5 | Very low | 30.5 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | trans | -56.9 | 123.5 | 172.7 | 24.7 | -32.4 | 0 | 0 | 0 | 107.7 | P587 | P585-P587 WeakPolarHBondContact O-CD 3.35Å; P585-P587 VanDerWaalsContact O-N 3.14Å | ||
| 586 | D | 28.4 | Very low | 30.6 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | trans | -57.7 | 117.9 | -178.2 | 171.9 | 6.2 | 0 | 0 | 0 | 108.6 | Y584 N588 Y589 | Y584-D586 PolarHBondContact O-N 3.5Å; Y584-D586 VanDerWaalsContact O-N 3.1Å; D586-N588 PolarHBondContact O-N 3.1Å; D586-N588 VanDerWaalsContact O-N 3.07Å; D586-N588 PolarHBondContact OD1-N 3.11Å; D586-Y589 WeakPolarHBondContact O-CB 3.24Å; D586-Y589 PolarHBondContact O-N 3.31Å | ||
| 587 | P | 30.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 114.2 Ų | 114.2 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -11.5 | -177.5 | 27.1 | -34.9 | 0 | 0 | 0 | 113.2 | P585 | P585-P587 WeakPolarHBondContact O-CD 3.35Å; P585-P587 VanDerWaalsContact O-N 3.14Å |
| 588 | N | 26.4 | Very low | 30.8 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -4.2 | 170.7 | -73.4 | -29.4 | 0 | 0 | 0 | 113.8 | D586 S590 | D586-N588 PolarHBondContact O-N 3.1Å; D586-N588 VanDerWaalsContact O-N 3.07Å; D586-N588 PolarHBondContact OD1-N 3.11Å; N588-S590 PolarHBondContact O-N 2.64Å |
| 589 | Y | 31.3 | Very low | 31.1 | Very low | 160 Ų | 160 | 109.6 Ų | 109.6 | 63% | 0.627 | 62% | 0.617 | S | S | * | * | trans | -77.9 | 71.1 | 171.7 | -165.6 | -97.7 | 0 | 0 | 0 | 110 | D586 S591 | D586-Y589 WeakPolarHBondContact O-CB 3.24Å; D586-Y589 PolarHBondContact O-N 3.31Å; Y589-S591 PolarHBondContact O-N 2.81Å | ||
| 590 | S | 25.1 | Very low | 32.1 | Very low | 104 Ų | 104 | 106.3 Ų | 106.3 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | trans | -58.7 | 105.9 | 155.8 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | N588 S592 | N588-S590 PolarHBondContact O-N 2.64Å; S590-S592 PolarHBondContact O-N 3.03Å | ||
| 591 | S | 30.5 | Very low | 34 | Very low | 38 Ų | 38 | 105.2 Ų | 105.2 | 27% | 0.266 | 57% | 0.57 | S | S | . | * | trans | -54.7 | 126.5 | 168.7 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | Y589 V593 N594 | Y589-S591 PolarHBondContact O-N 2.81Å; S591-V593 CarbonylContact C-O 3.42Å; S591-V593 WeakPolarHBondContact CB-O 3.42Å; S591-V593 CarbonylContact O-C 3.51Å; S591-V593 PolarHBondContact O-N 3.02Å; S591-V593 PolarHBondContact OG-O 3.32Å; S591-N594 PolarHBondContact O-N 3.38Å | ||
| 592 | S | 26.9 | Very low | 36.5 | Very low | 120 Ų | 120 | 98.5 Ų | 98.5 | 84% | 0.839 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -64.9 | -18 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | S590 N594 | S590-S592 PolarHBondContact O-N 3.03Å; S592-N594 PolarHBondContact O-N 2.74Å |
| 593 | V | 30.2 | Very low | 39.5 | Very low | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -63.5 | 83.7 | 144.8 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | S591 I595 | S591-V593 CarbonylContact C-O 3.42Å; S591-V593 WeakPolarHBondContact CB-O 3.42Å; S591-V593 CarbonylContact O-C 3.51Å; S591-V593 PolarHBondContact O-N 3.02Å; S591-V593 PolarHBondContact OG-O 3.32Å; V593-I595 VanDerWaalsContact C-N 3.25Å; V593-I595 HydrophobicContact CG1-CG1 4.48Å; V593-I595 PolarHBondContact O-N 2.91Å |
| 594 | N | 27.2 | Very low | 42.5 | Very low | 140 Ų | 140 | 87.3 Ų | 87.3 | 75% | 0.749 | 47% | 0.471 | S | S | * | . | trans | -55.8 | 99.5 | 159.3 | -165.2 | 7.7 | 0 | 0 | 0 | 104.8 | S591 S592 R596 | S591-N594 PolarHBondContact O-N 3.38Å; S592-N594 PolarHBondContact O-N 2.74Å; N594-R596 VanDerWaalsContact C-N 3.34Å; N594-R596 PolarHBondContact O-N 3.26Å | ||
| 595 | I | 32.2 | Very low | 45.8 | Very low | 79 Ų | 79 | 77.1 Ų | 77.1 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | trans | -60.9 | 103.2 | -171.8 | -63.9 | 177.3 | 0 | 0 | 0 | 105.2 | V593 G597 | V593-I595 VanDerWaalsContact C-N 3.25Å; V593-I595 HydrophobicContact CG1-CG1 4.48Å; V593-I595 PolarHBondContact O-N 2.91Å; I595-G597 WeakPolarHBondContact O-CA 3.47Å; I595-G597 PolarHBondContact O-N 3.37Å | ||
| 596 | R | 38.6 | Very low | 49 | Very low | 123 Ų | 123 | 72.1 Ų | 72.1 | 46% | 0.464 | 40% | 0.399 | S | S | . | . | trans | -40.9 | 113.4 | -167.8 | -78.2 | -177.3 | -88.3 | -145.2 | -1.7 | 108.1 | N594 L598 Q648 | N594-R596 VanDerWaalsContact C-N 3.34Å; N594-R596 PolarHBondContact O-N 3.26Å; R596-L598 PolarHBondContact O-N 2.82Å; R596-Q648 VanDerWaalsContact NH1-CD 3.35Å; R596-Q648 VanDerWaalsContact NH1-NE2 3.15Å | ||
| 597 | G | 34 | Very low | 52.3 | Low | 36 Ų | 36 | 68.2 Ų | 68.2 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | trans | -43.6 | 117.2 | -163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I595 D599 N626 | I595-G597 WeakPolarHBondContact O-CA 3.47Å; I595-G597 PolarHBondContact O-N 3.37Å; G597-D599 PolarHBondContact O-N 3.36Å; G597-N626 PolarHBondContact O-OD1 3.34Å | ||
| 598 | L | 40.4 | Very low | 55.5 | Low | 52 Ų | 52 | 63.3 Ų | 63.3 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | trans | -62.2 | -12.5 | -174.8 | -81 | 162.2 | 0 | 0 | 0 | 111.6 | L555 L557 Y562 R596 F600 | L555-L598 WeakPolarHBondContact CD2-O 3.19Å; L557-L598 HydrophobicContact CD1-CD1 3.84Å; Y562-L598 HydrophobicContact CD2-CD1 4.3Å; Y562-L598 HydrophobicContact CE2-CD1 3.91Å; R596-L598 PolarHBondContact O-N 2.82Å; L598-F600 WeakPolarHBondContact O-CD2 3.25Å; L598-F600 PolarHBondContact O-N 2.86Å | ||
| 599 | D | 42.3 | Very low | 58.8 | Low | 107 Ų | 107 | 56.4 Ų | 56.4 | 57% | 0.572 | 31% | 0.308 | S | S | * | . | trans | -32.4 | 90.4 | 152.3 | -57.4 | -19.9 | 0 | 0 | 0 | 113.3 | G597 K601 N626 | G597-D599 PolarHBondContact O-N 3.36Å; D599-K601 PolarHBondContact O-N 2.65Å; D599-N626 PolarHBondContact O-ND2 3.15Å | ||
| 600 | F | 52.7 | Low | 61.8 | Low | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | trans | -56.5 | 121.1 | 161.4 | -77.8 | -85.7 | 0 | 0 | 0 | 109 | S537 V554 L555 L598 D623 L630 | S537-F600 WeakPolarHBondContact CB-O 3.48Å; S537-F600 PolarHBondContact OG-O 3.14Å; V554-F600 VanDerWaalsContact C-CE2 3.48Å; V554-F600 HydrophobicContact CB-CB 4.27Å; V554-F600 HydrophobicContact CB-CD1 3.59Å; V554-F600 HydrophobicContact CB-CD2 4.1Å; V554-F600 HydrophobicContact CB-CE1 4.07Å; V554-F600 HydrophobicContact CB-CE2 4.46Å; V554-F600 HydrophobicContact CB-CG 3.66Å; V554-F600 HydrophobicContact CB-CZ 4.47Å; V554-F600 HydrophobicContact CG1-CD1 3.25Å; V554-F600 HydrophobicContact CG1-CD2 4.18Å; V554-F600 HydrophobicContact CG1-CE1 3.24Å; V554-F600 HydrophobicContact CG1-CE2 4.11Å; V554-F600 HydrophobicContact CG1-CG 3.79Å; V554-F600 HydrophobicContact CG1-CZ 3.69Å; V554-F600 WeakPolarHBondContact O-CD2 3.4Å; V554-F600 WeakPolarHBondContact O-CE2 3.27Å; L555-F600 HydrophobicContact CB-CD2 4.35Å; L555-F600 HydrophobicContact CD2-CD2 3.88Å; L555-F600 HydrophobicContact CG-CB 4.34Å; L555-F600 HydrophobicContact CG-CD2 3.84Å; L598-F600 WeakPolarHBondContact O-CD2 3.25Å; L598-F600 PolarHBondContact O-N 2.86Å; F600-D623 HydrophobicContact CD1-CB 3.57Å; F600-D623 WeakPolarHBondContact CD1-OD2 3.16Å; F600-D623 HydrophobicContact CE1-CB 3.53Å; F600-D623 WeakPolarHBondContact CE1-OD2 3.18Å; F600-L630 HydrophobicContact CE1-CD1 3.36Å; F600-L630 HydrophobicContact CE1-CD2 4.06Å; F600-L630 HydrophobicContact CE1-CG 4.35Å; F600-L630 HydrophobicContact CE2-CD2 4.36Å; F600-L630 HydrophobicContact CZ-CD1 3.61Å; F600-L630 HydrophobicContact CZ-CD2 3.49Å; F600-L630 VanDerWaalsContact CZ-CD2 3.49Å; F600-L630 HydrophobicContact CZ-CG 4.21Å | ||
| 601 | K | 69.7 | Low | 65.1 | Low | 78 Ų | 78 | 49.4 Ų | 49.4 | 34% | 0.339 | 28% | 0.282 | S | S | . | . | trans | -96.9 | -45.4 | -179.3 | -64.5 | -165.8 | 165.5 | -140.4 | 0 | 113.5 | S537 D599 E625 D910 | S537-K601 PolarHBondContact OG-O 2.89Å; D599-K601 PolarHBondContact O-N 2.65Å; K601-E625 HydrophobicContact CB-CB 3.97Å; K601-E625 HydrophobicContact CB-CG 4.08Å; K601-E625 HydrophobicContact CD-CB 4.1Å; K601-E625 HydrophobicContact CD-CG 4.48Å; K601-E625 HydrophobicContact CG-CB 4.42Å; K601-D910 IonicContact NZ-OD1 2.78Å; K601-D910 PolarHBondContact NZ-OD1 2.91Å | ||
| 602 | V | 84.1 | Confident | 67.7 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | trans | -145.6 | 104.7 | -176.6 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | Y534 H604 R624 E625 | Y534-V602 HydrophobicContact CD1-CG1 3.75Å; Y534-V602 HydrophobicContact CD1-CG2 4.1Å; Y534-V602 HydrophobicContact CD2-CG1 4.27Å; Y534-V602 HydrophobicContact CE1-CG1 3.84Å; Y534-V602 HydrophobicContact CE2-CG1 4.33Å; Y534-V602 HydrophobicContact CG-CG1 3.99Å; V602-H604 HydrophobicContact CG1-CB 4.23Å; V602-H604 PolarHBondContact O-N 2.97Å; V602-R624 HydrophobicContact CB-CB 4.26Å; V602-R624 PolarHBondContact O-N 2.88Å; V602-E625 HydrophobicContact CB-CG 4.48Å; V602-E625 HydrophobicContact CG2-CG 4.12Å | ||
| 603 | V | 91.4 | Very high | 70.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 104.2 | 166.5 | -166.4 | 0 | 0 | 0 | 0 | 107.6 | S518 G533 I539 V554 L606 A621 A622 | S518-V603 WeakPolarHBondContact CB-O 3.45Å; S518-V603 PolarHBondContact OG-O 2.68Å; G533-V603 VanDerWaalsContact CA-O 3.31Å; G533-V603 WeakPolarHBondContact CA-O 3.44Å; I539-V603 HydrophobicContact CG1-CG1 4.28Å; V554-V603 HydrophobicContact CB-CG2 4.2Å; V554-V603 HydrophobicContact CG2-CB 4.48Å; V554-V603 HydrophobicContact CG2-CG1 4.2Å; V554-V603 HydrophobicContact CG2-CG2 3.42Å; V554-V603 VanDerWaalsContact CG2-CG2 3.42Å; V603-L606 HydrophobicContact CG1-CD2 4.4Å; V603-A621 HydrophobicContact CG1-CB 3.89Å; V603-A622 CarbonylContact C-O 3.54Å; V603-A622 WeakPolarHBondContact CA-O 3.29Å |
| 604 | H | 93.5 | Very high | 73.1 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -31.2 | -164.1 | -166.7 | -90.1 | 0 | 0 | 0 | 114.6 | Y534 V602 A622 R624 Y652 H735 | Y534-H604 AromaticContact CZ-CD2 3.81Å; Y534-H604 PolarHBondContact OH-CD2 3.07Å; Y534-H604 VanDerWaalsContact OH-CD2 3.24Å; Y534-H604 PolarHBondContact OH-NE2 3.23Å; Y534-H604 VanDerWaalsContact OH-NE2 3.11Å; V602-H604 HydrophobicContact CG1-CB 4.23Å; V602-H604 PolarHBondContact O-N 2.97Å; H604-A622 PolarHBondContact N-O 2.97Å; H604-R624 HydrophobicContact CB-CB 3.81Å; H604-R624 WeakPolarHBondContact CD2-CD 3.37Å; H604-R624 PolarHBondContact CD2-NH1 3Å; H604-R624 PolarHBondContact NE2-NH1 3.47Å; H604-Y652 AromaticContact CE1-CD1 3.86Å; H604-Y652 PolarHBondContact ND1-O 3.15Å; H604-H735 AromaticContact CE1-CD2 3.79Å; H604-H735 AromaticContact CE1-CE1 3.81Å; H604-H735 AromaticContact CE1-NE2 3.51Å; H604-H735 AromaticContact NE2-CD2 3.94Å; H604-H735 AromaticContact NE2-NE2 3.53Å |
| 605 | S | 96.8 | Very high | 76.2 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 149.4 | -177.3 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | D519 A621 A622 Y652 I654 | D519-S605 VanDerWaalsContact OD2-CA 3.25Å; D519-S605 WeakPolarHBondContact OD2-CA 3.32Å; D519-S605 PolarHBondContact OD2-OG 3.32Å; S605-A621 CarbonylContact O-C 3.59Å; S605-A621 WeakPolarHBondContact O-CA 3.48Å; S605-A622 PolarHBondContact O-N 2.8Å; S605-Y652 WeakPolarHBondContact CB-O 3.41Å; S605-I654 PolarHBondContact OG-N 2.77Å |
| 606 | L | 97.7 | Very high | 79.2 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.7 | -178.1 | -65.6 | -178.9 | 0 | 0 | 0 | 112 | D519 T521 F529 I539 V603 V619 C620 A621 | D519-L606 PolarHBondContact OD2-N 3.47Å; T521-L606 HydrophobicContact CG2-CB 3.78Å; T521-L606 HydrophobicContact CG2-CD1 4.28Å; F529-L606 HydrophobicContact CB-CD1 4.32Å; F529-L606 WeakPolarHBondContact O-CD1 3.37Å; I539-L606 HydrophobicContact CD1-CD2 4.06Å; I539-L606 HydrophobicContact CG1-CD2 4.35Å; V603-L606 HydrophobicContact CG1-CD2 4.4Å; L606-V619 HydrophobicContact CD2-CG2 4.39Å; L606-C620 CarbonylContact C-O 3.57Å; L606-C620 WeakPolarHBondContact CA-O 3.35Å; L606-A621 HydrophobicContact CD2-CB 3.56Å |
| 607 | T | 97.5 | Very high | 81.9 | Confident | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.3 | 171 | -158.7 | 0 | 0 | 0 | 0 | 112.2 | C620 I654 Y656 | T607-C620 HydrophobicContact CG2-CB 4.12Å; T607-C620 PolarHBondContact N-O 3.36Å; T607-C620 PolarHBondContact O-N 3Å; T607-I654 HydrophobicContact CG2-CD1 4.08Å; T607-I654 HydrophobicContact CG2-CG1 4.14Å; T607-Y656 PolarHBondContact OG1-N 2.92Å |
| 608 | I | 97.4 | Very high | 84.9 | Confident | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.6 | 177.3 | -65.9 | -67.5 | 0 | 0 | 0 | 109.9 | T521 P610 E617 Q618 V619 L634 | T521-I608 HydrophobicContact CG2-CD1 3.83Å; T521-I608 HydrophobicContact CG2-CG1 3.75Å; I608-P610 WeakPolarHBondContact O-CD 3.3Å; I608-E617 HydrophobicContact CG2-CG 3.97Å; I608-E617 WeakPolarHBondContact CG2-OE1 3.39Å; I608-Q618 CarbonylContact C-O 3.58Å; I608-Q618 WeakPolarHBondContact CA-O 3.11Å; I608-V619 HydrophobicContact CD1-CB 3.87Å; I608-V619 HydrophobicContact CD1-CG2 4.15Å; I608-L634 HydrophobicContact CD1-CD2 4.25Å |
| 609 | I | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 108.2 | 161.6 | -56.4 | 177.7 | 0 | 0 | 0 | 107.1 | E617 Q618 C620 Y656 I663 P695 K697 | I609-E617 WeakPolarHBondContact O-CA 3.19Å; I609-E617 WeakPolarHBondContact O-CG 3.12Å; I609-Q618 HydrophobicContact CB-CB 4.08Å; I609-Q618 HydrophobicContact CB-CG 4.25Å; I609-Q618 HydrophobicContact CD1-CB 4.42Å; I609-Q618 HydrophobicContact CG1-CB 4.49Å; I609-Q618 PolarHBondContact N-O 2.64Å; I609-Q618 PolarHBondContact O-N 2.78Å; I609-C620 WeakPolarHBondContact CD1-SG 3.46Å; I609-Y656 HydrophobicContact CB-CD2 4.46Å; I609-Y656 HydrophobicContact CG1-CD2 3.84Å; I609-Y656 HydrophobicContact CG1-CE2 4.22Å; I609-Y656 HydrophobicContact CG1-CG 4.24Å; I609-Y656 HydrophobicContact CG2-CD2 4.34Å; I609-Y656 HydrophobicContact CG2-CE1 4.42Å; I609-Y656 HydrophobicContact CG2-CE2 3.94Å; I609-I663 HydrophobicContact CD1-CD1 4.28Å; I609-P695 HydrophobicContact CD1-CB 3.55Å; I609-P695 HydrophobicContact CD1-CG 3.53Å; I609-K697 HydrophobicContact CG2-CD 4.35Å |
| 610 | P | 94 | Very high | 90.2 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | -65.7 | 150.7 | 177.9 | 28.5 | -35.3 | 0 | 0 | 0 | 111.4 | I608 Q612 Y656 | I608-P610 WeakPolarHBondContact O-CD 3.3Å; P610-Q612 PolarHBondContact O-N 3.37Å; P610-Y656 HydrophobicContact CG-CD1 4.3Å; P610-Y656 HydrophobicContact CG-CE1 3.96Å | ||
| 611 | S | 93.2 | Very high | 92.2 | Very high | 71 Ų | 71 | 27 Ų | 27 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | trans | -58.6 | 118.9 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | T615 | S611-T615 VanDerWaalsContact CB-O 3.27Å; S611-T615 WeakPolarHBondContact CB-O 3.47Å; S611-T615 PolarHBondContact OG-O 2.89Å | ||
| 612 | Q | 86 | Confident | 93.4 | Very high | 39 Ų | 39 | 23.2 Ų | 23.2 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | trans | -128.5 | 141.4 | 176.4 | -66.7 | -176.5 | -6.6 | 0 | 0 | 108.8 | P610 G614 T615 Y656 K661 | P610-Q612 PolarHBondContact O-N 3.37Å; Q612-G614 PolarHBondContact O-N 3.36Å; Q612-T615 PolarHBondContact N-OG1 2.77Å; Q612-T615 WeakPolarHBondContact O-CB 3.46Å; Q612-T615 VanDerWaalsContact O-CG2 3.25Å; Q612-T615 WeakPolarHBondContact O-CG2 3.47Å; Q612-T615 PolarHBondContact O-N 2.71Å; Q612-T615 PolarHBondContact O-OG1 2.8Å; Q612-Y656 PolarHBondContact OE1-OH 2.68Å; Q612-K661 VanDerWaalsContact OE1-CD 3.32Å | ||
| 613 | D | 84.1 | Confident | 93.6 | Very high | 133 Ų | 133 | 23.1 Ų | 23.1 | 71% | 0.711 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 25.3 | 173.5 | -51.5 | -44.6 | 0 | 0 | 0 | 115 | K661 | D613-K661 IonicContact OD2-NZ 3.36Å; D613-K661 PolarHBondContact OD2-NZ 2.91Å |
| 614 | G | 86.4 | Confident | 93.4 | Very high | 53 Ų | 53 | 23.3 Ų | 23.3 | 55% | 0.546 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 13.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q612 | Q612-G614 PolarHBondContact O-N 3.36Š|
| 615 | T | 92.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 26 Ų | 26 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 157.4 | 174.4 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | S611 Q612 K697 P698 | S611-T615 VanDerWaalsContact CB-O 3.27Å; S611-T615 WeakPolarHBondContact CB-O 3.47Å; S611-T615 PolarHBondContact OG-O 2.89Å; Q612-T615 PolarHBondContact N-OG1 2.77Å; Q612-T615 WeakPolarHBondContact O-CB 3.46Å; Q612-T615 VanDerWaalsContact O-CG2 3.25Å; Q612-T615 WeakPolarHBondContact O-CG2 3.47Å; Q612-T615 PolarHBondContact O-N 2.71Å; Q612-T615 PolarHBondContact O-OG1 2.8Å; T615-K697 HydrophobicContact CG2-CB 3.67Å; T615-K697 WeakPolarHBondContact CG2-O 3.41Å; T615-P698 WeakPolarHBondContact CA-O 3.24Å |
| 616 | L | 93.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 27 Ų | 27 | 25% | 0.246 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 143.3 | 168.9 | -61 | -177.7 | 0 | 0 | 0 | 110.7 | T633 P698 | L616-T633 HydrophobicContact CD1-CG2 4.19Å; L616-P698 HydrophobicContact CD1-CG 4.22Å; L616-P698 PolarHBondContact N-O 3.21Å |
| 617 | E | 96.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 26.8 Ų | 26.8 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 141 | 164.5 | -173.8 | 172.7 | -169.5 | 0 | 0 | 109.3 | S524 I608 I609 L634 | S524-E617 WeakPolarHBondContact CB-OE1 3.29Å; S524-E617 WeakPolarHBondContact CB-OE2 3.43Å; S524-E617 PolarHBondContact N-OE1 3.4Å; S524-E617 PolarHBondContact OG-OE1 2.87Å; S524-E617 PolarHBondContact OG-OE2 3.16Å; I608-E617 HydrophobicContact CG2-CG 3.97Å; I608-E617 WeakPolarHBondContact CG2-OE1 3.39Å; I609-E617 WeakPolarHBondContact O-CA 3.19Å; I609-E617 WeakPolarHBondContact O-CG 3.12Å; E617-L634 HydrophobicContact CB-CD1 4.11Å; E617-L634 HydrophobicContact CB-CG 4.36Å; E617-L634 HydrophobicContact CG-CD1 4.03Å; E617-L634 HydrophobicContact CG-CD2 4.17Å; E617-L634 HydrophobicContact CG-CG 4.31Å |
| 618 | Q | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147 | -171.2 | -39.3 | -175.7 | 25.3 | 0 | 0 | 111.1 | I608 I609 Y632 I639 Y696 | I608-Q618 CarbonylContact C-O 3.58Å; I608-Q618 WeakPolarHBondContact CA-O 3.11Å; I609-Q618 HydrophobicContact CB-CB 4.08Å; I609-Q618 HydrophobicContact CB-CG 4.25Å; I609-Q618 HydrophobicContact CD1-CB 4.42Å; I609-Q618 HydrophobicContact CG1-CB 4.49Å; I609-Q618 PolarHBondContact N-O 2.64Å; I609-Q618 PolarHBondContact O-N 2.78Å; Q618-Y632 CarbonylContact C-O 3.57Å; Q618-Y632 WeakPolarHBondContact CA-O 3.25Å; Q618-Y632 WeakPolarHBondContact CB-O 3.25Å; Q618-I639 HydrophobicContact CB-CD1 4.01Å; Q618-I639 VanDerWaalsContact CD-CD1 3.43Å; Q618-I639 HydrophobicContact CG-CD1 3.5Å; Q618-I639 VanDerWaalsContact CG-CD1 3.5Å; Q618-Y696 PolarHBondContact NE2-O 2.91Å |
| 619 | V | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.8 | 162.9 | 60.1 | 0 | 0 | 0 | 0 | 108.3 | T521 F529 W552 L606 I608 Y632 | T521-V619 HydrophobicContact CG2-CG2 4.01Å; F529-V619 HydrophobicContact CB-CG2 4.24Å; F529-V619 HydrophobicContact CD1-CB 4.27Å; F529-V619 HydrophobicContact CD1-CG1 3.97Å; F529-V619 HydrophobicContact CD1-CG2 4.24Å; F529-V619 HydrophobicContact CE1-CG1 4.09Å; F529-V619 HydrophobicContact CG-CG2 4.23Å; W552-V619 HydrophobicContact CZ2-CG1 4.05Å; L606-V619 HydrophobicContact CD2-CG2 4.39Å; I608-V619 HydrophobicContact CD1-CB 3.87Å; I608-V619 HydrophobicContact CD1-CG2 4.15Å; V619-Y632 PolarHBondContact N-O 3.37Å; V619-Y632 PolarHBondContact O-N 2.73Å |
| 620 | C | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.5 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 110 | L606 T607 I609 V629 L630 C631 I654 I663 | L606-C620 CarbonylContact C-O 3.57Å; L606-C620 WeakPolarHBondContact CA-O 3.35Å; T607-C620 HydrophobicContact CG2-CB 4.12Å; T607-C620 PolarHBondContact N-O 3.36Å; T607-C620 PolarHBondContact O-N 3Å; I609-C620 WeakPolarHBondContact CD1-SG 3.46Å; C620-V629 HydrophobicContact CB-CG1 4.45Å; C620-L630 CarbonylContact C-O 3.48Å; C620-L630 VanDerWaalsContact CA-O 3.27Å; C620-L630 WeakPolarHBondContact CA-O 3.26Å; C620-C631 HydrophobicContact CB-CB 4.13Å; C620-C631 WeakPolarHBondContact CB-SG 3.43Å; C620-C631 WeakPolarHBondContact SG-CB 3.41Å; C620-C631 CovalentContact SG-SG 2.04Å; C620-C631 PolarHBondContact SG-SG 3.39Å; C620-I654 HydrophobicContact CB-CD1 4.24Å; C620-I663 HydrophobicContact CB-CD1 4.04Å |
| 621 | A | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | I539 V603 S605 L606 V629 L630 I654 | I539-A621 HydrophobicContact CD1-CB 3.77Å; V603-A621 HydrophobicContact CG1-CB 3.89Å; S605-A621 CarbonylContact O-C 3.59Å; S605-A621 WeakPolarHBondContact O-CA 3.48Å; L606-A621 HydrophobicContact CD2-CB 3.56Å; A621-V629 CarbonylContact O-C 3.51Å; A621-V629 WeakPolarHBondContact O-CA 3.46Å; A621-L630 PolarHBondContact N-O 2.86Å; A621-L630 PolarHBondContact O-N 3.18Å; A621-I654 VanDerWaalsContact C-CD1 3.5Å |
| 622 | A | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 116.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V603 H604 S605 V651 I654 | V603-A622 CarbonylContact C-O 3.54Å; V603-A622 WeakPolarHBondContact CA-O 3.29Å; H604-A622 PolarHBondContact N-O 2.97Å; S605-A622 PolarHBondContact O-N 2.8Å; A622-V651 HydrophobicContact CB-CB 4.47Å; A622-V651 HydrophobicContact CB-CG1 3.76Å; A622-I654 HydrophobicContact CB-CD1 4.13Å; A622-I654 HydrophobicContact CB-CG1 4.05Å; A622-I654 HydrophobicContact CB-CG2 4.25Å |
| 623 | D | 89.4 | Confident | 90.7 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 109.6 | 161.9 | 177.3 | 18.5 | 0 | 0 | 0 | 108.4 | F600 N626 A627 A628 L630 | F600-D623 HydrophobicContact CD1-CB 3.57Å; F600-D623 WeakPolarHBondContact CD1-OD2 3.16Å; F600-D623 HydrophobicContact CE1-CB 3.53Å; F600-D623 WeakPolarHBondContact CE1-OD2 3.18Å; D623-N626 WeakPolarHBondContact OD2-CB 3.3Å; D623-N626 PolarHBondContact OD2-ND2 3.22Å; D623-A627 PolarHBondContact O-N 2.94Å; D623-A628 HydrophobicContact CB-CB 4.42Å; D623-A628 PolarHBondContact N-O 2.92Å; D623-A628 PolarHBondContact O-N 3.26Å; D623-L630 HydrophobicContact CB-CD1 4.33Å |
| 624 | R | 86.5 | Confident | 91.2 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -59.9 | -170.4 | 177.7 | 178.6 | 146.3 | 156.4 | 3.1 | 110.5 | V602 H604 A627 S650 V651 Y652 D914 | V602-R624 HydrophobicContact CB-CB 4.26Å; V602-R624 PolarHBondContact O-N 2.88Å; H604-R624 HydrophobicContact CB-CB 3.81Å; H604-R624 WeakPolarHBondContact CD2-CD 3.37Å; H604-R624 PolarHBondContact CD2-NH1 3Å; H604-R624 PolarHBondContact NE2-NH1 3.47Å; R624-A627 PolarHBondContact O-N 2.82Å; R624-A627 VanDerWaalsContact O-N 3.15Å; R624-S650 CarbonylContact O-C 3.58Å; R624-S650 WeakPolarHBondContact O-CA 3.22Å; R624-S650 WeakPolarHBondContact O-CB 3.29Å; R624-V651 WeakPolarHBondContact CA-O 3.34Å; R624-V651 WeakPolarHBondContact CB-O 3.47Å; R624-V651 PolarHBondContact O-N 3.05Å; R624-V651 VanDerWaalsContact O-N 3.16Å; R624-Y652 HydrophobicContact CG-CE2 4.46Å; R624-Y652 VanDerWaalsContact NH1-CE1 3.27Å; R624-Y652 PolarHBondContact NH2-OH 3.25Å; R624-D914 IonicContact CZ-OD1 2.74Å; R624-D914 VanDerWaalsContact CZ-OD1 3.29Å; R624-D914 IonicContact NH1-OD1 3.8Å; R624-D914 PolarHBondContact NH1-OD1 2.79Å; R624-D914 IonicContact NH2-OD1 2.73Å; R624-D914 PolarHBondContact NH2-OD1 2.78Å |
| 625 | E | 78.1 | Confident | 91.5 | Very high | 60 Ų | 60 | 16.9 Ų | 16.9 | 28% | 0.28 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -24 | -166.5 | -53.8 | -59.4 | 144.8 | 0 | 0 | 114.1 | K601 V602 A627 | K601-E625 HydrophobicContact CB-CB 3.97Å; K601-E625 HydrophobicContact CB-CG 4.08Å; K601-E625 HydrophobicContact CD-CB 4.1Å; K601-E625 HydrophobicContact CD-CG 4.48Å; K601-E625 HydrophobicContact CG-CB 4.42Å; V602-E625 HydrophobicContact CB-CG 4.48Å; V602-E625 HydrophobicContact CG2-CG 4.12Å; E625-A627 VanDerWaalsContact C-N 3.27Å |
| 626 | N | 78.9 | Confident | 91.4 | Very high | 26 Ų | 26 | 16.9 Ų | 16.9 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 8.6 | 169.3 | -58 | -57.8 | 0 | 0 | 0 | 113.7 | G597 D599 D623 A628 | G597-N626 PolarHBondContact O-OD1 3.34Å; D599-N626 PolarHBondContact O-ND2 3.15Å; D623-N626 WeakPolarHBondContact OD2-CB 3.3Å; D623-N626 PolarHBondContact OD2-ND2 3.22Å; N626-A628 PolarHBondContact O-N 2.6Å |
| 627 | A | 85.7 | Confident | 91.2 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 49.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D623 R624 E625 L647 Q648 | D623-A627 PolarHBondContact O-N 2.94Å; R624-A627 PolarHBondContact O-N 2.82Å; R624-A627 VanDerWaalsContact O-N 3.15Å; E625-A627 VanDerWaalsContact C-N 3.27Å; A627-L647 HydrophobicContact CB-CB 4.14Å; A627-L647 WeakPolarHBondContact CB-O 3.26Å; A627-L647 WeakPolarHBondContact O-CB 3.36Å; A627-L647 WeakPolarHBondContact O-CD1 3.44Å; A627-Q648 HydrophobicContact CB-CG 4.18Å |
| 628 | A | 87.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D623 N626 L630 Y642 | D623-A628 HydrophobicContact CB-CB 4.42Å; D623-A628 PolarHBondContact N-O 2.92Å; D623-A628 PolarHBondContact O-N 3.26Å; N626-A628 PolarHBondContact O-N 2.6Å; A628-L630 HydrophobicContact CB-CD1 3.97Å; A628-Y642 CarbonylContact C-O 3.59Å; A628-Y642 WeakPolarHBondContact CA-O 3.48Å |
| 629 | V | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.5 | 167 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | C620 A621 Y642 V651 I654 I663 F691 | C620-V629 HydrophobicContact CB-CG1 4.45Å; A621-V629 CarbonylContact O-C 3.51Å; A621-V629 WeakPolarHBondContact O-CA 3.46Å; V629-Y642 HydrophobicContact CB-CD2 4.14Å; V629-Y642 HydrophobicContact CG1-CD2 4.27Å; V629-Y642 PolarHBondContact N-O 2.84Å; V629-Y642 WeakPolarHBondContact O-CD2 3.18Å; V629-Y642 PolarHBondContact O-N 2.84Å; V629-V651 HydrophobicContact CG2-CG1 4.25Å; V629-I654 HydrophobicContact CG1-CD1 3.99Å; V629-I654 HydrophobicContact CG2-CG2 3.93Å; V629-I663 HydrophobicContact CG1-CD1 4.33Å; V629-F691 HydrophobicContact CG2-CE2 4.24Å; V629-F691 HydrophobicContact CG2-CZ 3.98Å |
| 630 | L | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.9 | 177.5 | -69.6 | 91 | 0 | 0 | 0 | 110.5 | V554 F600 C620 A621 D623 A628 Y632 L638 R641 | V554-L630 HydrophobicContact CG1-CB 4.31Å; V554-L630 HydrophobicContact CG1-CD1 4.12Å; V554-L630 HydrophobicContact CG1-CD2 4.11Å; V554-L630 HydrophobicContact CG1-CG 4.39Å; F600-L630 HydrophobicContact CE1-CD1 3.36Å; F600-L630 HydrophobicContact CE1-CD2 4.06Å; F600-L630 HydrophobicContact CE1-CG 4.35Å; F600-L630 HydrophobicContact CE2-CD2 4.36Å; F600-L630 HydrophobicContact CZ-CD1 3.61Å; F600-L630 HydrophobicContact CZ-CD2 3.49Å; F600-L630 VanDerWaalsContact CZ-CD2 3.49Å; F600-L630 HydrophobicContact CZ-CG 4.21Å; C620-L630 CarbonylContact C-O 3.48Å; C620-L630 VanDerWaalsContact CA-O 3.27Å; C620-L630 WeakPolarHBondContact CA-O 3.26Å; A621-L630 PolarHBondContact N-O 2.86Å; A621-L630 PolarHBondContact O-N 3.18Å; D623-L630 HydrophobicContact CB-CD1 4.33Å; A628-L630 HydrophobicContact CB-CD1 3.97Å; L630-Y632 HydrophobicContact CB-CD2 4.49Å; L630-Y632 HydrophobicContact CB-CE2 3.58Å; L630-Y632 WeakPolarHBondContact CD2-OH 3.22Å; L630-L638 HydrophobicContact CB-CD1 4.07Å; L630-L638 HydrophobicContact CD2-CD1 3.92Å; L630-L638 HydrophobicContact CG-CD1 4.44Å; L630-R641 HydrophobicContact CD1-CG 4.27Å; L630-R641 HydrophobicContact CD2-CB 3.99Å; L630-R641 HydrophobicContact CD2-CG 4Å; L630-R641 HydrophobicContact CG-CB 4.04Å; L630-R641 HydrophobicContact CG-CG 3.91Å |
| 631 | C | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.3 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 110.6 | C620 L638 I639 R640 | C620-C631 HydrophobicContact CB-CB 4.13Å; C620-C631 WeakPolarHBondContact CB-SG 3.43Å; C620-C631 WeakPolarHBondContact SG-CB 3.41Å; C620-C631 CovalentContact SG-SG 2.04Å; C620-C631 PolarHBondContact SG-SG 3.39Å; C631-L638 WeakPolarHBondContact O-CD1 3.36Å; C631-I639 WeakPolarHBondContact O-CA 3.13Å; C631-I639 VanDerWaalsContact O-CB 3.3Å; C631-I639 WeakPolarHBondContact O-CB 3.44Å; C631-I639 PolarHBondContact O-N 3.41Å; C631-R640 PolarHBondContact N-O 3.34Å; C631-R640 PolarHBondContact O-N 3.19Å |
| 632 | Y | 94 | Very high | 89 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.9 | -176.9 | -60.9 | -93.2 | 0 | 0 | 0 | 110.6 | I539 W552 V554 Q618 V619 L630 G636 K637 L638 | I539-Y632 HydrophobicContact CD1-CD2 4.34Å; I539-Y632 HydrophobicContact CD1-CE2 4.29Å; W552-Y632 AromaticContact CD1-CE1 3.98Å; W552-Y632 AromaticContact NE1-CD1 3.73Å; W552-Y632 AromaticContact NE1-CE1 3.94Å; W552-Y632 AromaticContact NE1-CG 3.81Å; V554-Y632 WeakPolarHBondContact CA-OH 3.27Å; V554-Y632 HydrophobicContact CG1-CE2 4.22Å; V554-Y632 WeakPolarHBondContact CG1-OH 3.22Å; V554-Y632 PolarHBondContact O-OH 2.86Å; V554-Y632 VanDerWaalsContact O-OH 3.06Å; Q618-Y632 CarbonylContact C-O 3.57Å; Q618-Y632 WeakPolarHBondContact CA-O 3.25Å; Q618-Y632 WeakPolarHBondContact CB-O 3.25Å; V619-Y632 PolarHBondContact N-O 3.37Å; V619-Y632 PolarHBondContact O-N 2.73Å; L630-Y632 HydrophobicContact CB-CD2 4.49Å; L630-Y632 HydrophobicContact CB-CE2 3.58Å; L630-Y632 WeakPolarHBondContact CD2-OH 3.22Å; Y632-G636 WeakPolarHBondContact CD1-O 3.07Å; Y632-K637 WeakPolarHBondContact CA-O 3.33Å; Y632-L638 HydrophobicContact CD1-CB 4.04Å; Y632-L638 HydrophobicContact CD1-CD1 3.95Å; Y632-L638 HydrophobicContact CE1-CB 3.88Å; Y632-L638 HydrophobicContact CE1-CD1 3.51Å; Y632-L638 HydrophobicContact CE1-CG 4.28Å; Y632-L638 HydrophobicContact CE2-CD1 4.16Å; Y632-L638 HydrophobicContact CG-CD1 4.43Å |
| 633 | T | 94.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 20.4 Ų | 20.4 | 8% | 0.08 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 159 | 159.8 | 63 | 0 | 0 | 0 | 0 | 110.3 | L616 N635 G636 K637 I639 L701 L704 | L616-T633 HydrophobicContact CD1-CG2 4.19Å; T633-N635 PolarHBondContact O-N 3.07Å; T633-G636 PolarHBondContact O-N 2.91Å; T633-K637 HydrophobicContact CG2-CB 4.29Å; T633-K637 PolarHBondContact N-O 3.05Å; T633-K637 WeakPolarHBondContact OG1-CB 2.95Å; T633-K637 PolarHBondContact OG1-N 2.94Å; T633-K637 VanDerWaalsContact OG1-N 3.13Å; T633-K637 PolarHBondContact OG1-O 3.18Å; T633-I639 HydrophobicContact CG2-CD1 3.93Å; T633-I639 HydrophobicContact CG2-CG1 3.91Å; T633-L701 HydrophobicContact CG2-CD1 4.16Å; T633-L704 HydrophobicContact CG2-CD1 4.25Å |
| 634 | L | 95.1 | Very high | 87.7 | Confident | 24 Ų | 24 | 20.9 Ų | 20.9 | 13% | 0.126 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -1.3 | 174.9 | -59.4 | -174 | 0 | 0 | 0 | 115.2 | F529 K541 I608 E617 | F529-L634 HydrophobicContact CE1-CD2 4.32Å; F529-L634 HydrophobicContact CE2-CD2 4.15Å; F529-L634 HydrophobicContact CZ-CB 4.03Å; F529-L634 HydrophobicContact CZ-CD2 3.69Å; F529-L634 HydrophobicContact CZ-CG 4.38Å; K541-L634 WeakPolarHBondContact CD-O 3.07Å; K541-L634 WeakPolarHBondContact CE-O 3.46Å; K541-L634 PolarHBondContact NZ-O 2.89Å; I608-L634 HydrophobicContact CD1-CD2 4.25Å; E617-L634 HydrophobicContact CB-CD1 4.11Å; E617-L634 HydrophobicContact CB-CG 4.36Å; E617-L634 HydrophobicContact CG-CD1 4.03Å; E617-L634 HydrophobicContact CG-CD2 4.17Å; E617-L634 HydrophobicContact CG-CG 4.31Å |
| 635 | N | 91.9 | Very high | 87.2 | Confident | 129 Ų | 129 | 21 Ų | 21 | 69% | 0.69 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 12.1 | 176.5 | -65.1 | -14.5 | 0 | 0 | 0 | 112.8 | T633 K637 | T633-N635 PolarHBondContact O-N 3.07Å; N635-K637 PolarHBondContact O-N 2.92Å |
| 636 | G | 90.7 | Very high | 87.2 | Confident | 17 Ų | 17 | 18.7 Ų | 18.7 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 86.6 | -2.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | W552 Y632 T633 L638 | W552-G636 VanDerWaalsContact CE2-CA 3.47Å; Y632-G636 WeakPolarHBondContact CD1-O 3.07Å; T633-G636 PolarHBondContact O-N 2.91Å; G636-L638 PolarHBondContact O-N 2.98Å |
| 637 | K | 89.9 | Confident | 87.5 | Confident | 74 Ų | 74 | 17.5 Ų | 17.5 | 32% | 0.322 | 10% | 0.095 | S | C | . | . | trans | -69.1 | 125.1 | 170.1 | -167.3 | -176.9 | -170.3 | 178.1 | 0 | 109.8 | Y632 T633 N635 L701 E705 | Y632-K637 WeakPolarHBondContact CA-O 3.33Å; T633-K637 HydrophobicContact CG2-CB 4.29Å; T633-K637 PolarHBondContact N-O 3.05Å; T633-K637 WeakPolarHBondContact OG1-CB 2.95Å; T633-K637 PolarHBondContact OG1-N 2.94Å; T633-K637 VanDerWaalsContact OG1-N 3.13Å; T633-K637 PolarHBondContact OG1-O 3.18Å; N635-K637 PolarHBondContact O-N 2.92Å; K637-L701 HydrophobicContact CD-CD1 3.59Å; K637-L701 HydrophobicContact CD-CG 4.32Å; K637-E705 IonicContact NZ-OE1 2.77Å; K637-E705 PolarHBondContact NZ-OE1 2.9Å | ||
| 638 | L | 87.9 | Confident | 87.2 | Confident | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 134.4 | 178.2 | -176.1 | 68.2 | 0 | 0 | 0 | 111 | L630 C631 Y632 G636 P711 Y712 | L630-L638 HydrophobicContact CB-CD1 4.07Å; L630-L638 HydrophobicContact CD2-CD1 3.92Å; L630-L638 HydrophobicContact CG-CD1 4.44Å; C631-L638 WeakPolarHBondContact O-CD1 3.36Å; Y632-L638 HydrophobicContact CD1-CB 4.04Å; Y632-L638 HydrophobicContact CD1-CD1 3.95Å; Y632-L638 HydrophobicContact CE1-CB 3.88Å; Y632-L638 HydrophobicContact CE1-CD1 3.51Å; Y632-L638 HydrophobicContact CE1-CG 4.28Å; Y632-L638 HydrophobicContact CE2-CD1 4.16Å; Y632-L638 HydrophobicContact CG-CD1 4.43Å; G636-L638 PolarHBondContact O-N 2.98Å; L638-P711 HydrophobicContact CB-CG 4.49Å; L638-P711 HydrophobicContact CD2-CB 3.83Å; L638-P711 HydrophobicContact CD2-CG 3.93Å; L638-P711 HydrophobicContact CG-CB 3.95Å; L638-P711 HydrophobicContact CG-CG 4.26Å; L638-Y712 HydrophobicContact CD2-CD1 3.61Å; L638-Y712 HydrophobicContact CD2-CD2 4.48Å; L638-Y712 HydrophobicContact CD2-CE1 3.29Å; L638-Y712 HydrophobicContact CD2-CE2 4.23Å; L638-Y712 HydrophobicContact CD2-CG 4.17Å |
| 639 | I | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -51.1 | 174.4 | -64.8 | 175.2 | 0 | 0 | 0 | 109.8 | Q618 C631 T633 Y696 P698 L704 Y709 P711 | Q618-I639 HydrophobicContact CB-CD1 4.01Å; Q618-I639 VanDerWaalsContact CD-CD1 3.43Å; Q618-I639 HydrophobicContact CG-CD1 3.5Å; Q618-I639 VanDerWaalsContact CG-CD1 3.5Å; C631-I639 WeakPolarHBondContact O-CA 3.13Å; C631-I639 VanDerWaalsContact O-CB 3.3Å; C631-I639 WeakPolarHBondContact O-CB 3.44Å; C631-I639 PolarHBondContact O-N 3.41Å; T633-I639 HydrophobicContact CG2-CD1 3.93Å; T633-I639 HydrophobicContact CG2-CG1 3.91Å; I639-Y696 HydrophobicContact CG2-CD1 3.93Å; I639-Y696 HydrophobicContact CG2-CE1 4.44Å; I639-P698 HydrophobicContact CD1-CG 4.32Å; I639-P698 HydrophobicContact CG2-CG 3.88Å; I639-L704 HydrophobicContact CG1-CD1 3.86Å; I639-L704 HydrophobicContact CG2-CD2 4.19Å; I639-Y709 WeakPolarHBondContact O-CE1 3.39Å; I639-Y709 PolarHBondContact O-OH 2.85Å; I639-P711 WeakPolarHBondContact O-CB 3.46Å |
| 640 | R | 87 | Confident | 86.4 | Confident | 12 Ų | 12 | 23.2 Ų | 23.2 | 5% | 0.045 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 141.7 | 179.7 | -169.4 | 156.6 | 177.6 | 131.9 | -7.8 | 111.8 | C631 Y642 A714 Q718 G719 | C631-R640 PolarHBondContact N-O 3.34Å; C631-R640 PolarHBondContact O-N 3.19Å; R640-Y642 HydrophobicContact CB-CE1 4.36Å; R640-Y642 HydrophobicContact CB-CE2 4.12Å; R640-Y642 VanDerWaalsContact CD-CE1 3.42Å; R640-Y642 HydrophobicContact CG-CD1 4.17Å; R640-Y642 HydrophobicContact CG-CE1 3.67Å; R640-Y642 HydrophobicContact CG-CE2 4.18Å; R640-A714 HydrophobicContact CG-CB 3.94Å; R640-A714 PolarHBondContact NH2-O 3.47Å; R640-Q718 PolarHBondContact NH2-O 3.41Å; R640-G719 PolarHBondContact NH2-O 3.34Å |
| 641 | R | 86.5 | Confident | 86.4 | Confident | 28 Ų | 28 | 23.2 Ų | 23.2 | 11% | 0.106 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144.7 | 162.8 | -179.6 | 178.1 | -175.5 | -76.1 | -3 | 110.7 | L630 P711 D715 | L630-R641 HydrophobicContact CD1-CG 4.27Å; L630-R641 HydrophobicContact CD2-CB 3.99Å; L630-R641 HydrophobicContact CD2-CG 4Å; L630-R641 HydrophobicContact CG-CB 4.04Å; L630-R641 HydrophobicContact CG-CG 3.91Å; R641-P711 PolarHBondContact N-O 3.2Å; R641-D715 IonicContact NH1-OD2 3.4Å; R641-D715 PolarHBondContact NH1-OD2 2.87Å |
| 642 | Y | 86 | Confident | 86.3 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 102.1 | 172.2 | -47.1 | -86.8 | 0 | 0 | 0 | 108.8 | A628 V629 R640 L647 L693 P695 Y696 A721 | A628-Y642 CarbonylContact C-O 3.59Å; A628-Y642 WeakPolarHBondContact CA-O 3.48Å; V629-Y642 HydrophobicContact CB-CD2 4.14Å; V629-Y642 HydrophobicContact CG1-CD2 4.27Å; V629-Y642 PolarHBondContact N-O 2.84Å; V629-Y642 WeakPolarHBondContact O-CD2 3.18Å; V629-Y642 PolarHBondContact O-N 2.84Å; R640-Y642 HydrophobicContact CB-CE1 4.36Å; R640-Y642 HydrophobicContact CB-CE2 4.12Å; R640-Y642 VanDerWaalsContact CD-CE1 3.42Å; R640-Y642 HydrophobicContact CG-CD1 4.17Å; R640-Y642 HydrophobicContact CG-CE1 3.67Å; R640-Y642 HydrophobicContact CG-CE2 4.18Å; Y642-L647 WeakPolarHBondContact O-CD1 3.33Å; Y642-L693 HydrophobicContact CD1-CD1 4.03Å; Y642-L693 HydrophobicContact CD1-CD2 4.43Å; Y642-L693 HydrophobicContact CD2-CD1 4.02Å; Y642-L693 HydrophobicContact CD2-CD2 4.19Å; Y642-L693 HydrophobicContact CE1-CD2 4.26Å; Y642-L693 HydrophobicContact CE2-CD2 4.06Å; Y642-L693 HydrophobicContact CG-CD1 3.68Å; Y642-L693 HydrophobicContact CG-CD2 4.4Å; Y642-P695 WeakPolarHBondContact OH-CA 3.39Å; Y642-Y696 PolarHBondContact OH-N 2.79Å; Y642-A721 HydrophobicContact CD1-CB 3.51Å; Y642-A721 HydrophobicContact CE1-CB 3.5Å |
| 643 | G | 79.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | trans | -133.1 | 48.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D715 | G643-D715 WeakPolarHBondContact CA-OD2 3.45Å; G643-D715 PolarHBondContact N-OD2 2.75Å | ||
| 644 | D | 75.7 | Confident | 86.6 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | trans | -59.8 | 146.9 | 173.9 | -178 | -68.8 | 0 | 0 | 0 | 111.3 | E245 S646 L647 S720 L722 | E245-D644 VanDerWaalsContact OE2-CG 3.31Å; D644-S646 PolarHBondContact O-N 2.93Å; D644-S646 WeakPolarHBondContact OD1-CB 3.38Å; D644-S646 PolarHBondContact OD1-N 2.79Å; D644-S646 PolarHBondContact OD1-OG 3Å; D644-L647 PolarHBondContact O-N 2.88Å; D644-S720 WeakPolarHBondContact OD2-CB 3.19Å; D644-S720 PolarHBondContact OD2-OG 3.43Å; D644-L722 HydrophobicContact CB-CD1 3.79Å | ||
| 645 | S | 76.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -54.6 | -26.1 | -180 | 65.2 | 0 | 0 | 0 | 0 | 114 | E245 L647 Q648 | E245-S645 VanDerWaalsContact CD-OG 3.31Å; E245-S645 WeakPolarHBondContact OE1-CB 3.01Å; E245-S645 WeakPolarHBondContact OE2-CB 3.45Å; E245-S645 PolarHBondContact OE2-N 3.45Å; E245-S645 PolarHBondContact OE2-OG 2.84Å; S645-L647 VanDerWaalsContact C-N 3.27Å; S645-L647 PolarHBondContact O-N 3.1Å; S645-Q648 WeakPolarHBondContact O-CB 3.17Å; S645-Q648 WeakPolarHBondContact O-CG 3.46Å; S645-Q648 PolarHBondContact O-N 2.84Å; S645-Q648 PolarHBondContact O-NE2 2.99Å |
| 646 | S | 78.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 18.9 Ų | 18.9 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -70.1 | -15.5 | 179.8 | -44.7 | 0 | 0 | 0 | 0 | 114.6 | R154 D644 Q648 | R154-S646 PolarHBondContact NE-OG 2.88Å; R154-S646 PolarHBondContact NH1-OG 2.95Å; R154-S646 PolarHBondContact NH2-OG 2.98Å; D644-S646 PolarHBondContact O-N 2.93Å; D644-S646 WeakPolarHBondContact OD1-CB 3.38Å; D644-S646 PolarHBondContact OD1-N 2.79Å; D644-S646 PolarHBondContact OD1-OG 3Å; S646-Q648 VanDerWaalsContact C-N 3.32Å |
| 647 | L | 84.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -83.6 | -9.7 | 177.3 | -66 | -179.3 | 0 | 0 | 0 | 113.1 | A627 Y642 D644 S645 V651 F691 L722 | A627-L647 HydrophobicContact CB-CB 4.14Å; A627-L647 WeakPolarHBondContact CB-O 3.26Å; A627-L647 WeakPolarHBondContact O-CB 3.36Å; A627-L647 WeakPolarHBondContact O-CD1 3.44Å; Y642-L647 WeakPolarHBondContact O-CD1 3.33Å; D644-L647 PolarHBondContact O-N 2.88Å; S645-L647 VanDerWaalsContact C-N 3.27Å; S645-L647 PolarHBondContact O-N 3.1Å; L647-V651 HydrophobicContact CB-CG2 3.95Å; L647-V651 HydrophobicContact CD1-CG2 4.37Å; L647-V651 HydrophobicContact CD2-CG2 4.29Å; L647-V651 HydrophobicContact CG-CG2 4.44Å; L647-F691 HydrophobicContact CD2-CB 4.36Å; L647-F691 HydrophobicContact CD2-CD1 3.67Å; L647-F691 HydrophobicContact CD2-CD2 3.67Å; L647-F691 HydrophobicContact CD2-CE1 3.68Å; L647-F691 HydrophobicContact CD2-CE2 3.7Å; L647-F691 HydrophobicContact CD2-CG 3.64Å; L647-F691 HydrophobicContact CD2-CZ 3.69Å; L647-L722 HydrophobicContact CD2-CD1 4.13Å; L647-L722 HydrophobicContact CD2-CD2 4Å; L647-L722 HydrophobicContact CG-CD1 4.13Å |
| 648 | Q | 79 | Confident | 86.7 | Confident | 82 Ų | 82 | 17.6 Ų | 17.6 | 38% | 0.383 | 9% | 0.094 | S | C | . | . | trans | -62 | 148.5 | -179 | -71.9 | 179.5 | 68.8 | 0 | 0 | 112.5 | R596 A627 S645 S646 | R596-Q648 VanDerWaalsContact NH1-CD 3.35Å; R596-Q648 VanDerWaalsContact NH1-NE2 3.15Å; A627-Q648 HydrophobicContact CB-CG 4.18Å; S645-Q648 WeakPolarHBondContact O-CB 3.17Å; S645-Q648 WeakPolarHBondContact O-CG 3.46Å; S645-Q648 PolarHBondContact O-N 2.84Å; S645-Q648 PolarHBondContact O-NE2 2.99Å; S646-Q648 VanDerWaalsContact C-N 3.32Å | ||
| 649 | P | 76.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 20.9 Ų | 20.9 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | S | Bend | cis | -87.2 | -18.5 | 7.8 | 34.7 | -27.2 | 0 | 0 | 0 | 112.5 | G668 T670 | P649-G668 WeakPolarHBondContact CD-O 3.38Å; P649-T670 HydrophobicContact CB-CG2 4Å; P649-T670 VanDerWaalsContact CD-CG2 3.43Å; P649-T670 HydrophobicContact CG-CG2 3.67Å |
| 650 | S | 85.7 | Confident | 86 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | trans | -165.3 | 152.2 | -172.1 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | R624 Y652 T667 G668 | R624-S650 CarbonylContact O-C 3.58Å; R624-S650 WeakPolarHBondContact O-CA 3.22Å; R624-S650 WeakPolarHBondContact O-CB 3.29Å; S650-Y652 WeakPolarHBondContact OG-CE2 3.27Å; S650-T667 CarbonylContact O-C 3.54Å; S650-T667 WeakPolarHBondContact O-CA 3.28Å; S650-G668 PolarHBondContact O-N 3.35Å | ||
| 651 | V | 92 | Very high | 86 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 113.2 | 178.8 | 177 | 0 | 0 | 0 | 0 | 110.1 | A622 R624 V629 L647 I654 L666 F691 | A622-V651 HydrophobicContact CB-CB 4.47Å; A622-V651 HydrophobicContact CB-CG1 3.76Å; R624-V651 WeakPolarHBondContact CA-O 3.34Å; R624-V651 WeakPolarHBondContact CB-O 3.47Å; R624-V651 PolarHBondContact O-N 3.05Å; R624-V651 VanDerWaalsContact O-N 3.16Å; V629-V651 HydrophobicContact CG2-CG1 4.25Å; L647-V651 HydrophobicContact CB-CG2 3.95Å; L647-V651 HydrophobicContact CD1-CG2 4.37Å; L647-V651 HydrophobicContact CD2-CG2 4.29Å; L647-V651 HydrophobicContact CG-CG2 4.44Å; V651-I654 HydrophobicContact CG1-CG2 4.01Å; V651-L666 CarbonylContact C-O 3.58Å; V651-L666 WeakPolarHBondContact CA-O 3.32Å; V651-F691 HydrophobicContact CG1-CE1 3.83Å; V651-F691 HydrophobicContact CG1-CZ 3.75Å; V651-F691 HydrophobicContact CG2-CE1 4Å; V651-F691 HydrophobicContact CG2-CZ 4.15Å |
| 652 | Y | 92.4 | Very high | 86.2 | Confident | 21 Ų | 21 | 24.2 Ų | 24.2 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -53.3 | -175.2 | -78.6 | -109.6 | 0 | 0 | 0 | 112 | H604 S605 R624 S650 L666 | H604-Y652 AromaticContact CE1-CD1 3.86Å; H604-Y652 PolarHBondContact ND1-O 3.15Å; S605-Y652 WeakPolarHBondContact CB-O 3.41Å; R624-Y652 HydrophobicContact CG-CE2 4.46Å; R624-Y652 VanDerWaalsContact NH1-CE1 3.27Å; R624-Y652 PolarHBondContact NH2-OH 3.25Å; S650-Y652 WeakPolarHBondContact OG-CE2 3.27Å; Y652-L666 PolarHBondContact N-O 3.43Å |
| 653 | A | 96.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G665 L666 L737 | A653-G665 CarbonylContact O-C 3.58Å; A653-G665 VanDerWaalsContact O-CA 3.24Å; A653-G665 WeakPolarHBondContact O-CA 3.49Å; A653-L666 HydrophobicContact CB-CB 4.42Å; A653-L666 HydrophobicContact CB-CD2 4.38Å; A653-L666 PolarHBondContact O-N 2.8Å; A653-L737 HydrophobicContact CB-CD2 4Å; A653-L737 HydrophobicContact CB-CG 4.12Å; A653-L737 WeakPolarHBondContact O-CD2 3.5Å |
| 654 | I | 97.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139 | 175.1 | 54.4 | 172.8 | 0 | 0 | 0 | 110.7 | S605 T607 C620 A621 A622 V629 V651 I663 V664 F691 | S605-I654 PolarHBondContact OG-N 2.77Å; T607-I654 HydrophobicContact CG2-CD1 4.08Å; T607-I654 HydrophobicContact CG2-CG1 4.14Å; C620-I654 HydrophobicContact CB-CD1 4.24Å; A621-I654 VanDerWaalsContact C-CD1 3.5Å; A622-I654 HydrophobicContact CB-CD1 4.13Å; A622-I654 HydrophobicContact CB-CG1 4.05Å; A622-I654 HydrophobicContact CB-CG2 4.25Å; V629-I654 HydrophobicContact CG1-CD1 3.99Å; V629-I654 HydrophobicContact CG2-CG2 3.93Å; V651-I654 HydrophobicContact CG1-CG2 4.01Å; I654-I663 HydrophobicContact CB-CG2 3.81Å; I654-I663 HydrophobicContact CG2-CG2 3.99Å; I654-V664 CarbonylContact C-O 3.51Å; I654-V664 WeakPolarHBondContact CA-O 3.37Å; I654-F691 HydrophobicContact CG2-CZ 4.12Å |
| 655 | Q | 96.7 | Very high | 88.1 | Confident | 38 Ų | 38 | 22.9 Ų | 22.9 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 136.1 | 171.5 | -153.9 | -175 | 52.2 | 0 | 0 | 110.5 | V664 L737 T738 L739 | Q655-V664 PolarHBondContact N-O 2.98Å; Q655-V664 PolarHBondContact O-N 3.43Å; Q655-L737 HydrophobicContact CB-CD1 3.77Å; Q655-T738 PolarHBondContact NE2-OG1 2.8Å; Q655-T738 VanDerWaalsContact NE2-OG1 3.1Å; Q655-L739 VanDerWaalsContact OE1-CG 3.32Å |
| 656 | Y | 95.5 | Very high | 89 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128.5 | 175.3 | -177.9 | -106.5 | 0 | 0 | 0 | 111.8 | T607 I609 P610 Q612 P658 K661 L662 I663 P695 K697 | T607-Y656 PolarHBondContact OG1-N 2.92Å; I609-Y656 HydrophobicContact CB-CD2 4.46Å; I609-Y656 HydrophobicContact CG1-CD2 3.84Å; I609-Y656 HydrophobicContact CG1-CE2 4.22Å; I609-Y656 HydrophobicContact CG1-CG 4.24Å; I609-Y656 HydrophobicContact CG2-CD2 4.34Å; I609-Y656 HydrophobicContact CG2-CE1 4.42Å; I609-Y656 HydrophobicContact CG2-CE2 3.94Å; P610-Y656 HydrophobicContact CG-CD1 4.3Å; P610-Y656 HydrophobicContact CG-CE1 3.96Å; Q612-Y656 PolarHBondContact OE1-OH 2.68Å; Y656-P658 HydrophobicContact CD1-CB 4.47Å; Y656-P658 HydrophobicContact CE1-CB 4.16Å; Y656-P658 WeakPolarHBondContact O-CD 3.26Å; Y656-K661 WeakPolarHBondContact OH-CA 3.44Å; Y656-L662 WeakPolarHBondContact CD2-O 3.31Å; Y656-I663 HydrophobicContact CD2-CG1 4.17Å; Y656-P695 HydrophobicContact CE2-CG 4.37Å; Y656-K697 PolarHBondContact OH-NZ 2.84Å |
| 657 | D | 90.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.7 | 171.2 | -173.7 | -28.5 | 0 | 0 | 0 | 110 | V659 H660 K661 L662 V664 L739 N743 | D657-V659 VanDerWaalsContact C-N 3.28Å; D657-V659 PolarHBondContact O-N 3.2Å; D657-V659 WeakPolarHBondContact OD1-CA 3.5Å; D657-V659 WeakPolarHBondContact OD1-CB 3.37Å; D657-V659 PolarHBondContact OD1-N 3.03Å; D657-H660 PolarHBondContact OD1-N 3.43Å; D657-H660 IonicContact OD1-ND1 3.56Å; D657-H660 IonicContact OD2-CE1 3.65Å; D657-H660 IonicContact OD2-CG 3Å; D657-H660 IonicContact OD2-ND1 3.86Å; D657-H660 PolarHBondContact OD2-ND1 2.76Å; D657-K661 WeakPolarHBondContact O-CA 3.48Å; D657-K661 PolarHBondContact O-N 3.09Å; D657-L662 PolarHBondContact N-O 2.98Å; D657-L662 PolarHBondContact O-N 3.08Å; D657-V664 HydrophobicContact CB-CG2 4.34Å; D657-L739 HydrophobicContact CB-CD1 3.68Å; D657-N743 PolarHBondContact OD1-ND2 2.88Å |
| 658 | P | 86.7 | Confident | 89.6 | Confident | 62 Ų | 62 | 22.1 Ų | 22.1 | 40% | 0.403 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.7 | 177.9 | 26.6 | -37.4 | 0 | 0 | 0 | 115.2 | Y656 N743 | Y656-P658 HydrophobicContact CD1-CB 4.47Å; Y656-P658 HydrophobicContact CE1-CB 4.16Å; Y656-P658 WeakPolarHBondContact O-CD 3.26Å; P658-N743 WeakPolarHBondContact CD-ND2 3.16Å |
| 659 | V | 82.8 | Confident | 89.3 | Confident | 83 Ų | 83 | 18.9 Ų | 18.9 | 50% | 0.503 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -53.4 | -179.2 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | D657 K661 N743 | D657-V659 VanDerWaalsContact C-N 3.28Å; D657-V659 PolarHBondContact O-N 3.2Å; D657-V659 WeakPolarHBondContact OD1-CA 3.5Å; D657-V659 WeakPolarHBondContact OD1-CB 3.37Å; D657-V659 PolarHBondContact OD1-N 3.03Å; V659-K661 VanDerWaalsContact C-N 3.31Å; V659-N743 HydrophobicContact CB-CB 3.92Å; V659-N743 HydrophobicContact CG2-CB 3.76Å |
| 660 | H | 81.2 | Confident | 88.7 | Confident | 19 Ų | 19 | 18.4 Ų | 18.4 | 9% | 0.088 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.7 | 178.8 | -57 | 108.6 | 0 | 0 | 0 | 113.1 | L342 D657 L662 | L342-H660 HydrophobicContact CB-CB 4.39Å; D657-H660 PolarHBondContact OD1-N 3.43Å; D657-H660 IonicContact OD1-ND1 3.56Å; D657-H660 IonicContact OD2-CE1 3.65Å; D657-H660 IonicContact OD2-CG 3Å; D657-H660 IonicContact OD2-ND1 3.86Å; D657-H660 PolarHBondContact OD2-ND1 2.76Å; H660-L662 VanDerWaalsContact C-N 3.31Å; H660-L662 HydrophobicContact CB-CD1 4.38Å; H660-L662 HydrophobicContact CB-CG 4.49Å; H660-L662 PolarHBondContact O-N 2.94Å |
| 661 | K | 86.9 | Confident | 87.1 | Confident | 81 Ų | 81 | 22.9 Ų | 22.9 | 35% | 0.352 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 25.4 | 179.6 | -62.2 | -168.6 | 176.2 | -169.2 | 0 | 114.6 | Q612 D613 Y656 D657 V659 K697 | Q612-K661 VanDerWaalsContact OE1-CD 3.32Å; D613-K661 IonicContact OD2-NZ 3.36Å; D613-K661 PolarHBondContact OD2-NZ 2.91Å; Y656-K661 WeakPolarHBondContact OH-CA 3.44Å; D657-K661 WeakPolarHBondContact O-CA 3.48Å; D657-K661 PolarHBondContact O-N 3.09Å; V659-K661 VanDerWaalsContact C-N 3.31Å; K661-K697 PolarHBondContact O-NZ 2.78Å |
| 662 | L | 89 | Confident | 84.7 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 164.4 | -176.5 | -61.2 | 173.9 | 0 | 0 | 0 | 111.6 | L342 Y656 D657 H660 F692 L693 N694 | L342-L662 HydrophobicContact CD2-CD1 3.45Å; L342-L662 VanDerWaalsContact CD2-CD1 3.45Å; Y656-L662 WeakPolarHBondContact CD2-O 3.31Å; D657-L662 PolarHBondContact N-O 2.98Å; D657-L662 PolarHBondContact O-N 3.08Å; H660-L662 VanDerWaalsContact C-N 3.31Å; H660-L662 HydrophobicContact CB-CD1 4.38Å; H660-L662 HydrophobicContact CB-CG 4.49Å; H660-L662 PolarHBondContact O-N 2.94Å; L662-F692 HydrophobicContact CD1-CB 4.48Å; L662-L693 CarbonylContact C-O 3.58Å; L662-L693 WeakPolarHBondContact CA-O 3.47Å; L662-L693 WeakPolarHBondContact CB-O 3.28Å; L662-N694 HydrophobicContact CD2-CB 3.58Å |
| 663 | I | 93.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.8 | 159.3 | -63.4 | 178.6 | 0 | 0 | 0 | 107.6 | I609 C620 V629 I654 Y656 L693 P695 | I609-I663 HydrophobicContact CD1-CD1 4.28Å; C620-I663 HydrophobicContact CB-CD1 4.04Å; V629-I663 HydrophobicContact CG1-CD1 4.33Å; I654-I663 HydrophobicContact CB-CG2 3.81Å; I654-I663 HydrophobicContact CG2-CG2 3.99Å; Y656-I663 HydrophobicContact CD2-CG1 4.17Å; I663-L693 HydrophobicContact CB-CB 4.35Å; I663-L693 HydrophobicContact CB-CD2 4.35Å; I663-L693 HydrophobicContact CD1-CD2 4.21Å; I663-L693 PolarHBondContact N-O 3.26Å; I663-L693 PolarHBondContact O-N 3.35Å; I663-P695 HydrophobicContact CD1-CB 4.23Å; I663-P695 HydrophobicContact CD1-CG 4.35Å; I663-P695 HydrophobicContact CG1-CB 4.49Å; I663-P695 HydrophobicContact CG1-CG 4.1Å |
| 664 | V | 94.4 | Very high | 79 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.5 | 164.5 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | I654 Q655 D657 L690 F692 L737 L739 I746 | I654-V664 CarbonylContact C-O 3.51Å; I654-V664 WeakPolarHBondContact CA-O 3.37Å; Q655-V664 PolarHBondContact N-O 2.98Å; Q655-V664 PolarHBondContact O-N 3.43Å; D657-V664 HydrophobicContact CB-CG2 4.34Å; V664-L690 HydrophobicContact CG1-CD2 4.29Å; V664-F692 HydrophobicContact CG1-CE1 4.11Å; V664-F692 HydrophobicContact CG2-CD1 3.93Å; V664-F692 HydrophobicContact CG2-CE1 3.81Å; V664-L737 HydrophobicContact CB-CD1 4.32Å; V664-L737 HydrophobicContact CG1-CD1 4.08Å; V664-L739 HydrophobicContact CG2-CD1 4.46Å; V664-L739 HydrophobicContact CG2-CD2 4.26Å; V664-I746 HydrophobicContact CG1-CD1 4.13Å |
| 665 | G | 95.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 167.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A653 L690 F691 | A653-G665 CarbonylContact O-C 3.58Å; A653-G665 VanDerWaalsContact O-CA 3.24Å; A653-G665 WeakPolarHBondContact O-CA 3.49Å; G665-L690 CarbonylContact O-C 3.58Å; G665-L690 VanDerWaalsContact O-CA 3.25Å; G665-L690 WeakPolarHBondContact O-CA 3.45Å; G665-F691 VanDerWaalsContact CA-CE1 3.49Å; G665-F691 PolarHBondContact N-O 3.09Å; G665-F691 WeakPolarHBondContact O-CD1 3.3Å; G665-F691 PolarHBondContact O-N 3.07Å |
| 666 | L | 94.1 | Very high | 73 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.9 | -174.8 | 173.4 | 72.9 | 0 | 0 | 0 | 110.8 | V651 Y652 A653 L690 L728 P734 L737 V748 | V651-L666 CarbonylContact C-O 3.58Å; V651-L666 WeakPolarHBondContact CA-O 3.32Å; Y652-L666 PolarHBondContact N-O 3.43Å; A653-L666 HydrophobicContact CB-CB 4.42Å; A653-L666 HydrophobicContact CB-CD2 4.38Å; A653-L666 PolarHBondContact O-N 2.8Å; L666-L690 HydrophobicContact CD1-CD2 4.39Å; L666-L728 HydrophobicContact CD1-CD1 3.6Å; L666-P734 HydrophobicContact CD1-CB 3.75Å; L666-P734 HydrophobicContact CD1-CG 3.73Å; L666-P734 HydrophobicContact CD2-CB 3.66Å; L666-P734 HydrophobicContact CD2-CG 4.08Å; L666-P734 HydrophobicContact CG-CB 4.15Å; L666-P734 HydrophobicContact CG-CG 4.13Å; L666-L737 HydrophobicContact CB-CD2 3.63Å; L666-V748 HydrophobicContact CD1-CG1 4.25Å; L666-V748 HydrophobicContact CD2-CG1 4.26Å |
| 667 | T | 91.2 | Very high | 70.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 157.6 | 172.2 | 78.9 | 0 | 0 | 0 | 0 | 112.4 | S650 P688 N689 F691 | S650-T667 CarbonylContact O-C 3.54Å; S650-T667 WeakPolarHBondContact O-CA 3.28Å; T667-P688 WeakPolarHBondContact O-CB 3.39Å; T667-N689 HydrophobicContact CG2-CB 4.45Å; T667-N689 PolarHBondContact N-O 2.73Å; T667-N689 PolarHBondContact OG1-N 3.46Å; T667-F691 HydrophobicContact CG2-CD1 3.73Å; T667-F691 HydrophobicContact CG2-CE1 4.16Å |
| 668 | G | 83.9 | Confident | 67.8 | Low | 4 Ų | 4 | 51.9 Ų | 51.9 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 170.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P649 S650 | P649-G668 WeakPolarHBondContact CD-O 3.38Å; S650-G668 PolarHBondContact O-N 3.35Å |
| 669 | S | 74.3 | Confident | 65.6 | Low | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 136.2 | 172.2 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | L686 P688 R732 | S669-L686 WeakPolarHBondContact CA-O 3.36Å; S669-P688 WeakPolarHBondContact OG-CD 3.47Å; S669-R732 PolarHBondContact OG-O 2.9Å |
| 670 | T | 62.2 | Low | 63.7 | Low | 32 Ų | 32 | 53.3 Ų | 53.3 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.8 | 177.7 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | P649 L685 L686 | P649-T670 HydrophobicContact CB-CG2 4Å; P649-T670 VanDerWaalsContact CD-CG2 3.43Å; P649-T670 HydrophobicContact CG-CG2 3.67Å; T670-L685 VanDerWaalsContact O-CA 3.28Å; T670-L685 WeakPolarHBondContact O-CA 3.44Å; T670-L685 WeakPolarHBondContact O-CD1 3.48Å; T670-L686 PolarHBondContact N-O 3.34Å; T670-L686 PolarHBondContact O-N 3.27Å; T670-L686 VanDerWaalsContact O-N 3.1Å; T670-L686 VanDerWaalsContact OG1-CB 3.26Å; T670-L686 WeakPolarHBondContact OG1-CB 3.46Å; T670-L686 WeakPolarHBondContact OG1-CG 3.35Å |
| 671 | Y | 52.8 | Low | 61.8 | Low | 96 Ų | 96 | 58.6 Ų | 58.6 | 38% | 0.376 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.9 | 160.4 | -76.1 | -75.2 | 0 | 0 | 0 | 109.6 | S673 L685 | Y671-S673 PolarHBondContact O-N 2.97Å; Y671-L685 HydrophobicContact CD1-CB 4.4Å; Y671-L685 HydrophobicContact CD1-CD1 3.93Å; Y671-L685 HydrophobicContact CD2-CD1 4.19Å; Y671-L685 HydrophobicContact CE1-CB 4.27Å; Y671-L685 HydrophobicContact CE1-CD1 3.83Å; Y671-L685 HydrophobicContact CE1-CD2 4.06Å; Y671-L685 HydrophobicContact CE1-CG 4.28Å; Y671-L685 HydrophobicContact CE2-CD1 4.09Å; Y671-L685 HydrophobicContact CG-CD1 4.11Å |
| 672 | M | 42 | Very low | 59.7 | Low | 54 Ų | 54 | 61.3 Ų | 61.3 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 117.2 | 173.1 | -168.2 | 164.3 | 73.9 | 0 | 0 | 110.7 | L289 V674 V684 | L289-M672 HydrophobicContact CD1-SD 4.11Å; M672-V674 HydrophobicContact CE-CG1 4.45Å; M672-V674 HydrophobicContact CE-CG2 3.73Å; M672-V674 HydrophobicContact CG-CG2 4.21Å; M672-V684 HydrophobicContact CE-CB 4.14Å; M672-V684 HydrophobicContact CE-CG2 4.05Å |
| 673 | S | 32.6 | Very low | 57.6 | Low | 109 Ų | 109 | 66 Ų | 66 | 76% | 0.762 | 39% | 0.389 | S | S | * | . | trans | -83.4 | 101.4 | 151.9 | 59 | 0 | 0 | 0 | 0 | 107.3 | Y671 V675 | Y671-S673 PolarHBondContact O-N 2.97Å; S673-V675 PolarHBondContact O-N 2.99Å | ||
| 674 | V | 35.3 | Very low | 55.8 | Low | 53 Ų | 53 | 69.2 Ų | 69.2 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | trans | -61.6 | 134.7 | -176.5 | -162.1 | 0 | 0 | 0 | 0 | 110 | M672 D676 | M672-V674 HydrophobicContact CE-CG1 4.45Å; M672-V674 HydrophobicContact CE-CG2 3.73Å; M672-V674 HydrophobicContact CG-CG2 4.21Å; V674-D676 PolarHBondContact O-N 2.65Å | ||
| 675 | V | 36.4 | Very low | 54.3 | Low | 153 Ų | 153 | 72.3 Ų | 72.3 | 93% | 0.927 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -74.5 | 21.3 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 112 | S673 | S673-V675 PolarHBondContact O-N 2.99Š|
| 676 | D | 32.4 | Very low | 53.1 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | trans | -140.9 | 106.4 | 173 | -170.2 | -16.2 | 0 | 0 | 0 | 110.3 | V674 T678 S679 | V674-D676 PolarHBondContact O-N 2.65Å; D676-T678 VanDerWaalsContact CG-OG1 3.25Å; D676-T678 PolarHBondContact O-N 2.77Å; D676-T678 VanDerWaalsContact O-N 3.09Å; D676-T678 WeakPolarHBondContact OD1-CA 3.49Å; D676-T678 VanDerWaalsContact OD1-CB 3.29Å; D676-T678 WeakPolarHBondContact OD1-CB 3.29Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.18Å; D676-T678 PolarHBondContact OD1-N 3.26Å; D676-T678 PolarHBondContact OD1-OG1 2.97Å; D676-T678 PolarHBondContact OD2-OG1 2.72Å; D676-S679 PolarHBondContact O-N 2.77Å; D676-S679 PolarHBondContact O-OG 3.34Å | ||
| 677 | P | 35.7 | Very low | 52.3 | Low | 135 Ų | 135 | 75.8 Ų | 75.8 | 88% | 0.877 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.4 | 176.9 | 29.4 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 678 | T | 40.7 | Very low | 52.1 | Low | 113 Ų | 113 | 75.8 Ų | 75.8 | 69% | 0.693 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -16.3 | 176.9 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | D676 S680 | D676-T678 VanDerWaalsContact CG-OG1 3.25Å; D676-T678 PolarHBondContact O-N 2.77Å; D676-T678 VanDerWaalsContact O-N 3.09Å; D676-T678 WeakPolarHBondContact OD1-CA 3.49Å; D676-T678 VanDerWaalsContact OD1-CB 3.29Å; D676-T678 WeakPolarHBondContact OD1-CB 3.29Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.18Å; D676-T678 PolarHBondContact OD1-N 3.26Å; D676-T678 PolarHBondContact OD1-OG1 2.97Å; D676-T678 PolarHBondContact OD2-OG1 2.72Å; T678-S680 PolarHBondContact O-N 2.9Å |
| 679 | S | 41.3 | Very low | 52.3 | Low | 58 Ų | 58 | 76.6 Ų | 76.6 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | trans | -84.6 | 106.8 | 175.8 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | D676 N681 | D676-S679 PolarHBondContact O-N 2.77Å; D676-S679 PolarHBondContact O-OG 3.34Å; S679-N681 VanDerWaalsContact C-N 3.33Å; S679-N681 PolarHBondContact O-N 2.84Å | ||
| 680 | S | 43.6 | Very low | 53.1 | Low | 116 Ų | 116 | 76 Ų | 76 | 81% | 0.811 | 44% | 0.444 | S | S | * | . | trans | -87.5 | 13.8 | -174.6 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | T678 | T678-S680 PolarHBondContact O-N 2.9Š| ||
| 681 | N | 40.3 | Very low | 54.4 | Low | 131 Ų | 131 | 74.4 Ų | 74.4 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -115.9 | 123 | -175.1 | -75.6 | -20.8 | 0 | 0 | 0 | 112.8 | S679 | S679-N681 VanDerWaalsContact C-N 3.33Å; S679-N681 PolarHBondContact O-N 2.84Å |
| 682 | D | 43.3 | Very low | 56.1 | Low | 138 Ų | 138 | 70 Ų | 70 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | trans | 45.1 | 100.3 | 158.5 | -59.2 | -24.2 | 0 | 0 | 0 | 118.3 | V684 | D682-V684 PolarHBondContact O-N 3.46Š| ||
| 683 | N | 44.7 | Very low | 58.2 | Low | 107 Ų | 107 | 67.4 Ų | 67.4 | 57% | 0.572 | 40% | 0.404 | S | S | * | . | trans | -55.7 | 101.3 | 159.1 | -65.1 | 1.9 | 0 | 0 | 0 | 109.1 | L685 | N683-L685 PolarHBondContact O-N 3.17Š| ||
| 684 | V | 55.3 | Low | 60.7 | Low | 68 Ų | 68 | 65.7 Ų | 65.7 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | trans | -66.7 | 104.7 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L289 M672 D682 L686 | L289-V684 HydrophobicContact CD2-CG1 4.45Å; M672-V684 HydrophobicContact CE-CB 4.14Å; M672-V684 HydrophobicContact CE-CG2 4.05Å; D682-V684 PolarHBondContact O-N 3.46Å; V684-L686 HydrophobicContact CG1-CD2 4.4Å; V684-L686 PolarHBondContact O-N 2.94Å | ||
| 685 | L | 63.8 | Low | 63.2 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 108.4 | 171.8 | 176.1 | 60.5 | 0 | 0 | 0 | 108 | T670 Y671 N683 | T670-L685 VanDerWaalsContact O-CA 3.28Å; T670-L685 WeakPolarHBondContact O-CA 3.44Å; T670-L685 WeakPolarHBondContact O-CD1 3.48Å; Y671-L685 HydrophobicContact CD1-CB 4.4Å; Y671-L685 HydrophobicContact CD1-CD1 3.93Å; Y671-L685 HydrophobicContact CD2-CD1 4.19Å; Y671-L685 HydrophobicContact CE1-CB 4.27Å; Y671-L685 HydrophobicContact CE1-CD1 3.83Å; Y671-L685 HydrophobicContact CE1-CD2 4.06Å; Y671-L685 HydrophobicContact CE1-CG 4.28Å; Y671-L685 HydrophobicContact CE2-CD1 4.09Å; Y671-L685 HydrophobicContact CG-CD1 4.11Å; N683-L685 PolarHBondContact O-N 3.17Å |
| 686 | L | 68.4 | Low | 65.6 | Low | 40 Ų | 40 | 58.9 Ų | 58.9 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 136.4 | 170.3 | -62.4 | -179.4 | 0 | 0 | 0 | 108.9 | L289 S669 T670 V684 | L289-L686 HydrophobicContact CD1-CD1 3.68Å; L289-L686 HydrophobicContact CD1-CD2 4.07Å; L289-L686 HydrophobicContact CD1-CG 3.89Å; L289-L686 HydrophobicContact CD2-CD2 4.34Å; L289-L686 HydrophobicContact CG-CD1 4.16Å; L289-L686 HydrophobicContact CG-CD2 4.09Å; L289-L686 HydrophobicContact CG-CG 4.42Å; S669-L686 WeakPolarHBondContact CA-O 3.36Å; T670-L686 PolarHBondContact N-O 3.34Å; T670-L686 PolarHBondContact O-N 3.27Å; T670-L686 VanDerWaalsContact O-N 3.1Å; T670-L686 VanDerWaalsContact OG1-CB 3.26Å; T670-L686 WeakPolarHBondContact OG1-CB 3.46Å; T670-L686 WeakPolarHBondContact OG1-CG 3.35Å; V684-L686 HydrophobicContact CG1-CD2 4.4Å; V684-L686 PolarHBondContact O-N 2.94Å |
| 687 | P | 77.8 | Confident | 68.3 | Low | 32 Ų | 32 | 57.3 Ų | 57.3 | 21% | 0.208 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 155.1 | 174.2 | 30.5 | -36.9 | 0 | 0 | 0 | 110.6 | N689 S727 | P687-N689 PolarHBondContact O-ND2 3.09Å; P687-S727 WeakPolarHBondContact CG-OG 3.38Å |
| 688 | P | 87.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 158 | 171.9 | 26.8 | -23.9 | 0 | 0 | 0 | 110 | T667 S669 L728 V731 P734 | T667-P688 WeakPolarHBondContact O-CB 3.39Å; S669-P688 WeakPolarHBondContact OG-CD 3.47Å; P688-L728 HydrophobicContact CG-CB 4.16Å; P688-L728 WeakPolarHBondContact O-CB 3.41Å; P688-L728 PolarHBondContact O-N 3.47Å; P688-V731 WeakPolarHBondContact CD-O 3.32Å; P688-V731 HydrophobicContact CG-CB 4.34Å; P688-V731 WeakPolarHBondContact CG-O 3.35Å; P688-P734 HydrophobicContact CB-CG 3.61Å; P688-P734 HydrophobicContact CG-CG 3.61Å |
| 689 | N | 88.3 | Confident | 73.2 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141 | -176.6 | -55.2 | -70.3 | 0 | 0 | 0 | 110.5 | P153 T667 P687 V726 | P153-N689 WeakPolarHBondContact CB-OD1 3.32Å; P153-N689 VanDerWaalsContact CG-OD1 3.26Å; P153-N689 WeakPolarHBondContact CG-OD1 3.33Å; T667-N689 HydrophobicContact CG2-CB 4.45Å; T667-N689 PolarHBondContact N-O 2.73Å; T667-N689 PolarHBondContact OG1-N 3.46Å; P687-N689 PolarHBondContact O-ND2 3.09Å; N689-V726 CarbonylContact C-O 3.54Å; N689-V726 VanDerWaalsContact CA-O 3.32Å; N689-V726 WeakPolarHBondContact CA-O 3.38Å |
| 690 | L | 90.7 | Very high | 75.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 138.8 | 152.2 | -68.5 | 166.4 | 0 | 0 | 0 | 107.7 | V664 G665 L666 F692 F725 V726 L728 L737 I746 V748 F759 | V664-L690 HydrophobicContact CG1-CD2 4.29Å; G665-L690 CarbonylContact O-C 3.58Å; G665-L690 VanDerWaalsContact O-CA 3.25Å; G665-L690 WeakPolarHBondContact O-CA 3.45Å; L666-L690 HydrophobicContact CD1-CD2 4.39Å; L690-F692 HydrophobicContact CB-CE2 4.49Å; L690-F725 CarbonylContact O-C 3.58Å; L690-F725 WeakPolarHBondContact O-CA 3.44Å; L690-V726 HydrophobicContact CB-CB 4.29Å; L690-V726 PolarHBondContact N-O 2.96Å; L690-V726 PolarHBondContact O-N 3.35Å; L690-L728 HydrophobicContact CD1-CD2 3.81Å; L690-L728 HydrophobicContact CG-CD1 4.17Å; L690-L728 HydrophobicContact CG-CD2 3.86Å; L690-L728 HydrophobicContact CG-CG 4.23Å; L690-L737 HydrophobicContact CD2-CD2 4.46Å; L690-I746 HydrophobicContact CD1-CD1 3.83Å; L690-I746 HydrophobicContact CD1-CG2 4.31Å; L690-I746 HydrophobicContact CD2-CG2 4.25Å; L690-V748 HydrophobicContact CD2-CG2 4.2Å; L690-F759 HydrophobicContact CD1-CD2 4.41Å |
| 691 | F | 90 | Very high | 77.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.4 | 170.4 | 67.5 | -93.5 | 0 | 0 | 0 | 110.7 | V629 L647 V651 I654 G665 T667 L693 L722 G724 F725 | V629-F691 HydrophobicContact CG2-CE2 4.24Å; V629-F691 HydrophobicContact CG2-CZ 3.98Å; L647-F691 HydrophobicContact CD2-CB 4.36Å; L647-F691 HydrophobicContact CD2-CD1 3.67Å; L647-F691 HydrophobicContact CD2-CD2 3.67Å; L647-F691 HydrophobicContact CD2-CE1 3.68Å; L647-F691 HydrophobicContact CD2-CE2 3.7Å; L647-F691 HydrophobicContact CD2-CG 3.64Å; L647-F691 HydrophobicContact CD2-CZ 3.69Å; V651-F691 HydrophobicContact CG1-CE1 3.83Å; V651-F691 HydrophobicContact CG1-CZ 3.75Å; V651-F691 HydrophobicContact CG2-CE1 4Å; V651-F691 HydrophobicContact CG2-CZ 4.15Å; I654-F691 HydrophobicContact CG2-CZ 4.12Å; G665-F691 VanDerWaalsContact CA-CE1 3.49Å; G665-F691 PolarHBondContact N-O 3.09Å; G665-F691 WeakPolarHBondContact O-CD1 3.3Å; G665-F691 PolarHBondContact O-N 3.07Å; T667-F691 HydrophobicContact CG2-CD1 3.73Å; T667-F691 HydrophobicContact CG2-CE1 4.16Å; F691-L693 HydrophobicContact CD2-CB 4.25Å; F691-L693 HydrophobicContact CE2-CB 4.28Å; F691-L693 HydrophobicContact CE2-CD1 4.47Å; F691-L722 HydrophobicContact CB-CD2 4.47Å; F691-L722 HydrophobicContact CD2-CD2 3.78Å; F691-L722 HydrophobicContact CE2-CD2 4.45Å; F691-L722 HydrophobicContact CG-CD2 4.45Å; F691-G724 WeakPolarHBondContact CA-O 3.46Å; F691-F725 HydrophobicContact CB-CD1 3.8Å; F691-F725 HydrophobicContact CB-CE1 4.01Å |
| 692 | F | 88.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.1 | 177.8 | -60 | -87 | 0 | 0 | 0 | 108.3 | L111 L342 V351 L662 V664 L690 L722 T723 G724 V726 I746 | L111-F692 HydrophobicContact CD2-CD2 4.16Å; L111-F692 HydrophobicContact CD2-CE2 3.83Å; L342-F692 HydrophobicContact CD1-CE1 4.33Å; L342-F692 HydrophobicContact CD2-CB 4.47Å; L342-F692 HydrophobicContact CD2-CD1 3.61Å; L342-F692 HydrophobicContact CD2-CE1 4.05Å; L342-F692 HydrophobicContact CD2-CG 4.05Å; V351-F692 HydrophobicContact CG2-CE2 4.47Å; V351-F692 HydrophobicContact CG2-CZ 3.96Å; L662-F692 HydrophobicContact CD1-CB 4.48Å; V664-F692 HydrophobicContact CG1-CE1 4.11Å; V664-F692 HydrophobicContact CG2-CD1 3.93Å; V664-F692 HydrophobicContact CG2-CE1 3.81Å; L690-F692 HydrophobicContact CB-CE2 4.49Å; F692-L722 CarbonylContact O-C 3.52Å; F692-L722 WeakPolarHBondContact O-CA 3.2Å; F692-T723 WeakPolarHBondContact CB-OG1 3.25Å; F692-T723 PolarHBondContact O-N 2.89Å; F692-T723 PolarHBondContact O-OG1 2.89Å; F692-G724 PolarHBondContact N-O 3.4Å; F692-V726 HydrophobicContact CE2-CG2 3.89Å; F692-I746 HydrophobicContact CE1-CD1 4.23Å; F692-I746 HydrophobicContact CZ-CD1 4.02Å |
| 693 | L | 86.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.9 | -174.9 | -177.7 | 145.6 | 0 | 0 | 0 | 109.6 | Y642 L662 I663 F691 P695 A721 L722 | Y642-L693 HydrophobicContact CD1-CD1 4.03Å; Y642-L693 HydrophobicContact CD1-CD2 4.43Å; Y642-L693 HydrophobicContact CD2-CD1 4.02Å; Y642-L693 HydrophobicContact CD2-CD2 4.19Å; Y642-L693 HydrophobicContact CE1-CD2 4.26Å; Y642-L693 HydrophobicContact CE2-CD2 4.06Å; Y642-L693 HydrophobicContact CG-CD1 3.68Å; Y642-L693 HydrophobicContact CG-CD2 4.4Å; L662-L693 CarbonylContact C-O 3.58Å; L662-L693 WeakPolarHBondContact CA-O 3.47Å; L662-L693 WeakPolarHBondContact CB-O 3.28Å; I663-L693 HydrophobicContact CB-CB 4.35Å; I663-L693 HydrophobicContact CB-CD2 4.35Å; I663-L693 HydrophobicContact CD1-CD2 4.21Å; I663-L693 PolarHBondContact N-O 3.26Å; I663-L693 PolarHBondContact O-N 3.35Å; F691-L693 HydrophobicContact CD2-CB 4.25Å; F691-L693 HydrophobicContact CE2-CB 4.28Å; F691-L693 HydrophobicContact CE2-CD1 4.47Å; L693-P695 HydrophobicContact CD2-CB 4Å; L693-P695 WeakPolarHBondContact O-CD 3.41Å; L693-A721 WeakPolarHBondContact CA-O 3.48Å; L693-A721 HydrophobicContact CG-CB 4.13Å; L693-L722 HydrophobicContact CB-CD2 4.01Å; L693-L722 HydrophobicContact CD1-CD2 3.92Å; L693-L722 HydrophobicContact CG-CD2 4.3Å |
| 694 | N | 85 | Confident | 83 | Confident | 73 Ų | 73 | 42 Ų | 42 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | trans | -97.5 | 96.6 | 175.9 | -173.2 | 9.3 | 0 | 0 | 0 | 110 | L662 A721 T723 | L662-N694 HydrophobicContact CD2-CB 3.58Å; N694-A721 PolarHBondContact N-O 3.46Å; N694-T723 HydrophobicContact CB-CG2 3.87Å | ||
| 695 | P | 88.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -73.2 | 142.7 | -172.5 | 30.4 | -35.8 | 0 | 0 | 0 | 111.4 | I609 Y642 Y656 I663 L693 | I609-P695 HydrophobicContact CD1-CB 3.55Å; I609-P695 HydrophobicContact CD1-CG 3.53Å; Y642-P695 WeakPolarHBondContact OH-CA 3.39Å; Y656-P695 HydrophobicContact CE2-CG 4.37Å; I663-P695 HydrophobicContact CD1-CB 4.23Å; I663-P695 HydrophobicContact CD1-CG 4.35Å; I663-P695 HydrophobicContact CG1-CB 4.49Å; I663-P695 HydrophobicContact CG1-CG 4.1Å; L693-P695 HydrophobicContact CD2-CB 4Å; L693-P695 WeakPolarHBondContact O-CD 3.41Å | ||
| 696 | Y | 86.3 | Confident | 84.3 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | trans | -65.9 | 132.8 | 170.8 | 174.6 | -127.7 | 0 | 0 | 0 | 110.8 | Q618 I639 Y642 P698 E703 L704 Y709 | Q618-Y696 PolarHBondContact NE2-O 2.91Å; I639-Y696 HydrophobicContact CG2-CD1 3.93Å; I639-Y696 HydrophobicContact CG2-CE1 4.44Å; Y642-Y696 PolarHBondContact OH-N 2.79Å; Y696-P698 HydrophobicContact CE1-CB 4.1Å; Y696-P698 HydrophobicContact CE1-CG 4.29Å; Y696-E703 WeakPolarHBondContact OH-CG 3.36Å; Y696-E703 PolarHBondContact OH-OE1 2.74Å; Y696-L704 HydrophobicContact CE1-CD2 3.94Å; Y696-Y709 HydrophobicContact CD1-CE2 4.43Å; Y696-Y709 WeakPolarHBondContact CD1-OH 3.46Å; Y696-Y709 HydrophobicContact CE1-CE1 4.44Å; Y696-Y709 HydrophobicContact CE1-CE2 4.15Å; Y696-Y709 AromaticContact CE1-CZ 3.86Å | ||
| 697 | K | 88.4 | Confident | 83.8 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | trans | -126.3 | 82 | -173.6 | -63 | 173.1 | -161.1 | 176.8 | 0 | 110.4 | I609 T615 Y656 K661 | I609-K697 HydrophobicContact CG2-CD 4.35Å; T615-K697 HydrophobicContact CG2-CB 3.67Å; T615-K697 WeakPolarHBondContact CG2-O 3.41Å; Y656-K697 PolarHBondContact OH-NZ 2.84Å; K661-K697 PolarHBondContact O-NZ 2.78Å | ||
| 698 | P | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -62.4 | 150.4 | 176.8 | 28.7 | -37.6 | 0 | 0 | 0 | 111 | T615 L616 I639 Y696 E703 L704 | T615-P698 WeakPolarHBondContact CA-O 3.24Å; L616-P698 HydrophobicContact CD1-CG 4.22Å; L616-P698 PolarHBondContact N-O 3.21Å; I639-P698 HydrophobicContact CD1-CG 4.32Å; I639-P698 HydrophobicContact CG2-CG 3.88Å; Y696-P698 HydrophobicContact CE1-CB 4.1Å; Y696-P698 HydrophobicContact CE1-CG 4.29Å; P698-E703 WeakPolarHBondContact CA-OE2 3.11Å; P698-E703 HydrophobicContact CB-CB 4.29Å; P698-L704 HydrophobicContact CB-CD2 4.21Å; P698-L704 HydrophobicContact CB-CG 4.28Å; P698-L704 HydrophobicContact CG-CD1 4.24Å; P698-L704 HydrophobicContact CG-CD2 4.11Å; P698-L704 HydrophobicContact CG-CG 4.3Å | ||
| 699 | K | 89.8 | Confident | 82 | Confident | 144 Ų | 144 | 55.2 Ų | 55.2 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -90.1 | -20.4 | 177.2 | -67.7 | -179 | 179 | 177.9 | 0 | 113.5 | E703 | K699-E703 PolarHBondContact N-OE2 2.81Š|
| 700 | S | 88.6 | Confident | 81.2 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -154.2 | 159.9 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | N702 E703 | S700-N702 PolarHBondContact O-N 3.18Å; S700-E703 WeakPolarHBondContact O-CB 3.06Å; S700-E703 PolarHBondContact O-N 2.91Å |
| 701 | L | 86.1 | Confident | 80.4 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.7 | -34.6 | 175.9 | -161.9 | 69.4 | 0 | 0 | 0 | 111.9 | T633 K637 E703 L704 E705 | T633-L701 HydrophobicContact CG2-CD1 4.16Å; K637-L701 HydrophobicContact CD-CD1 3.59Å; K637-L701 HydrophobicContact CD-CG 4.32Å; L701-E703 PolarHBondContact O-N 2.76Å; L701-L704 WeakPolarHBondContact O-CB 3.43Å; L701-L704 PolarHBondContact O-N 3.36Å; L701-E705 PolarHBondContact O-N 2.83Å |
| 702 | N | 85.3 | Confident | 79.5 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.6 | 178.9 | -56.1 | 23.2 | 0 | 0 | 0 | 112.7 | S700 L704 E705 | S700-N702 PolarHBondContact O-N 3.18Å; N702-L704 PolarHBondContact O-N 2.91Å; N702-E705 PolarHBondContact O-N 3.01Å |
| 703 | E | 81.2 | Confident | 78.2 | Confident | 74 Ų | 74 | 61 Ų | 61 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -65.4 | -32.7 | 176.4 | -156.6 | 179.4 | 152.1 | 0 | 0 | 111.2 | Y696 P698 K699 S700 L701 | Y696-E703 WeakPolarHBondContact OH-CG 3.36Å; Y696-E703 PolarHBondContact OH-OE1 2.74Å; P698-E703 WeakPolarHBondContact CA-OE2 3.11Å; P698-E703 HydrophobicContact CB-CB 4.29Å; K699-E703 PolarHBondContact N-OE2 2.81Å; S700-E703 WeakPolarHBondContact O-CB 3.06Å; S700-E703 PolarHBondContact O-N 2.91Å; L701-E703 PolarHBondContact O-N 2.76Å |
| 704 | L | 78.7 | Confident | 77.2 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -84.4 | -8.1 | 176.4 | -56 | 169.9 | 0 | 0 | 0 | 113.3 | T633 I639 Y696 P698 L701 N702 Y709 | T633-L704 HydrophobicContact CG2-CD1 4.25Å; I639-L704 HydrophobicContact CG1-CD1 3.86Å; I639-L704 HydrophobicContact CG2-CD2 4.19Å; Y696-L704 HydrophobicContact CE1-CD2 3.94Å; P698-L704 HydrophobicContact CB-CD2 4.21Å; P698-L704 HydrophobicContact CB-CG 4.28Å; P698-L704 HydrophobicContact CG-CD1 4.24Å; P698-L704 HydrophobicContact CG-CD2 4.11Å; P698-L704 HydrophobicContact CG-CG 4.3Å; L701-L704 WeakPolarHBondContact O-CB 3.43Å; L701-L704 PolarHBondContact O-N 3.36Å; N702-L704 PolarHBondContact O-N 2.91Å; L704-Y709 HydrophobicContact CD2-CD1 4.46Å; L704-Y709 HydrophobicContact CD2-CE1 3.95Å |
| 705 | E | 77 | Confident | 76 | Confident | 115 Ų | 115 | 58.2 Ų | 58.2 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -96.9 | 1.9 | 176.3 | -67.9 | 172.9 | -176.1 | 0 | 0 | 111.7 | K637 L701 N702 K707 | K637-E705 IonicContact NZ-OE1 2.77Å; K637-E705 PolarHBondContact NZ-OE1 2.9Å; L701-E705 PolarHBondContact O-N 2.83Å; N702-E705 PolarHBondContact O-N 3.01Å; E705-K707 PolarHBondContact O-N 3.18Å |
| 706 | N | 69.2 | Low | 74.7 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | trans | -67.3 | 115.6 | 172 | -177.1 | 12.1 | 0 | 0 | 0 | 110.1 | S708 Y709 | N706-S708 PolarHBondContact ND2-OG 3.17Å; N706-S708 PolarHBondContact O-N 2.86Å; N706-S708 PolarHBondContact OD1-N 3Å; N706-S708 PolarHBondContact OD1-OG 3.14Å; N706-Y709 WeakPolarHBondContact O-CB 3.4Å; N706-Y709 PolarHBondContact O-N 2.82Å | ||
| 707 | K | 57.6 | Low | 73.2 | Confident | 166 Ų | 166 | 61.4 Ų | 61.4 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -20.3 | 179.1 | -95.2 | -171 | 178.9 | -167.1 | 0 | 116.1 | P570 E705 | P570-K707 HydrophobicContact CB-CB 4.49Å; P570-K707 HydrophobicContact CB-CD 4.1Å; P570-K707 WeakPolarHBondContact CD-O 3.26Å; P570-K707 HydrophobicContact CG-CB 3.56Å; P570-K707 HydrophobicContact CG-CD 4.01Å; P570-K707 HydrophobicContact CG-CG 3.94Å; P570-K707 WeakPolarHBondContact CG-O 3.32Å; E705-K707 PolarHBondContact O-N 3.18Å |
| 708 | S | 61.9 | Low | 71.8 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 58% | 0.58 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.8 | 175.2 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | N706 | N706-S708 PolarHBondContact ND2-OG 3.17Å; N706-S708 PolarHBondContact O-N 2.86Å; N706-S708 PolarHBondContact OD1-N 3Å; N706-S708 PolarHBondContact OD1-OG 3.14Å |
| 709 | Y | 65 | Low | 70.6 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | trans | -114.8 | 108.2 | -175.4 | -178 | -94.5 | 0 | 0 | 0 | 110.6 | I639 Y696 L704 N706 P711 Q718 | I639-Y709 WeakPolarHBondContact O-CE1 3.39Å; I639-Y709 PolarHBondContact O-OH 2.85Å; Y696-Y709 HydrophobicContact CD1-CE2 4.43Å; Y696-Y709 WeakPolarHBondContact CD1-OH 3.46Å; Y696-Y709 HydrophobicContact CE1-CE1 4.44Å; Y696-Y709 HydrophobicContact CE1-CE2 4.15Å; Y696-Y709 AromaticContact CE1-CZ 3.86Å; L704-Y709 HydrophobicContact CD2-CD1 4.46Å; L704-Y709 HydrophobicContact CD2-CE1 3.95Å; N706-Y709 WeakPolarHBondContact O-CB 3.4Å; N706-Y709 PolarHBondContact O-N 2.82Å; Y709-P711 HydrophobicContact CE1-CB 3.91Å; Y709-Q718 VanDerWaalsContact CD2-NE2 3.32Å | ||
| 710 | N | 72 | Confident | 69.6 | Low | 34 Ų | 34 | 54.6 Ų | 54.6 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | trans | -101.6 | 118.5 | 168.5 | -168.6 | -54.9 | 0 | 0 | 0 | 109.8 | D565 Y712 A714 | D565-N710 VanDerWaalsContact CG-ND2 3.3Å; D565-N710 PolarHBondContact OD2-ND2 2.8Å; N710-Y712 VanDerWaalsContact C-N 3.35Å; N710-Y712 PolarHBondContact O-N 2.92Å; N710-Y712 WeakPolarHBondContact OD1-CB 3.28Å; N710-Y712 WeakPolarHBondContact OD1-CD2 3.35Å; N710-Y712 PolarHBondContact OD1-N 3.5Å; N710-A714 PolarHBondContact O-N 2.82Å | ||
| 711 | P | 74.6 | Confident | 69 | Low | 21 Ų | 21 | 53.3 Ų | 53.3 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -73 | -21.1 | -176.3 | 29.7 | -36 | 0 | 0 | 0 | 114.5 | L638 I639 R641 Y709 | L638-P711 HydrophobicContact CB-CG 4.49Å; L638-P711 HydrophobicContact CD2-CB 3.83Å; L638-P711 HydrophobicContact CD2-CG 3.93Å; L638-P711 HydrophobicContact CG-CB 3.95Å; L638-P711 HydrophobicContact CG-CG 4.26Å; I639-P711 WeakPolarHBondContact O-CB 3.46Å; R641-P711 PolarHBondContact N-O 3.2Å; Y709-P711 HydrophobicContact CE1-CB 3.91Å |
| 712 | Y | 69.4 | Low | 68.7 | Low | 30 Ų | 30 | 50.7 Ų | 50.7 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -76.8 | -39.8 | -179.2 | -63.9 | -74.3 | 0 | 0 | 0 | 112.4 | G556 L557 L638 N710 | G556-Y712 WeakPolarHBondContact CA-OH 3.45Å; G556-Y712 PolarHBondContact O-OH 3.2Å; L557-Y712 HydrophobicContact CD2-CD2 4.25Å; L557-Y712 HydrophobicContact CD2-CE1 4.45Å; L557-Y712 HydrophobicContact CD2-CE2 3.9Å; L557-Y712 HydrophobicContact CG-CD1 4.46Å; L557-Y712 HydrophobicContact CG-CE1 4.1Å; L557-Y712 HydrophobicContact CG-CE2 4.44Å; L638-Y712 HydrophobicContact CD2-CD1 3.61Å; L638-Y712 HydrophobicContact CD2-CD2 4.48Å; L638-Y712 HydrophobicContact CD2-CE1 3.29Å; L638-Y712 HydrophobicContact CD2-CE2 4.23Å; L638-Y712 HydrophobicContact CD2-CG 4.17Å; N710-Y712 VanDerWaalsContact C-N 3.35Å; N710-Y712 PolarHBondContact O-N 2.92Å; N710-Y712 WeakPolarHBondContact OD1-CB 3.28Å; N710-Y712 WeakPolarHBondContact OD1-CD2 3.35Å; N710-Y712 PolarHBondContact OD1-N 3.5Å |
| 713 | W | 62.3 | Low | 68.2 | Low | 59 Ų | 59 | 46.3 Ų | 46.3 | 22% | 0.223 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -100.7 | 16.9 | -177 | -52.8 | 92 | 0 | 0 | 0 | 112.8 | T566 D715 I716 Y717 | T566-W713 HydrophobicContact CG2-CZ2 4.28Å; W713-D715 VanDerWaalsContact C-N 3.29Å; W713-D715 PolarHBondContact O-N 2.9Å; W713-I716 HydrophobicContact CE3-CB 4.4Å; W713-I716 HydrophobicContact CE3-CD1 3.5Å; W713-I716 HydrophobicContact CE3-CG2 4.41Å; W713-I716 HydrophobicContact CZ3-CD1 3.76Å; W713-I716 PolarHBondContact O-N 3.03Å; W713-I716 VanDerWaalsContact O-N 3.16Å; W713-Y717 HydrophobicContact CB-CD2 3.51Å; W713-Y717 HydrophobicContact CB-CE2 3.71Å; W713-Y717 HydrophobicContact CD2-CE2 4.25Å; W713-Y717 HydrophobicContact CE3-CE2 4.13Å; W713-Y717 HydrophobicContact CG-CD2 4.39Å; W713-Y717 HydrophobicContact CG-CE2 4.11Å; W713-Y717 PolarHBondContact O-N 2.87Å |
| 714 | A | 64.5 | Low | 68.1 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R640 N710 Q718 G719 | R640-A714 HydrophobicContact CG-CB 3.94Å; R640-A714 PolarHBondContact NH2-O 3.47Å; N710-A714 PolarHBondContact O-N 2.82Å; A714-Q718 HydrophobicContact CB-CB 4.4Å; A714-Q718 CarbonylContact O-C 3.57Å; A714-Q718 WeakPolarHBondContact O-CA 3.37Å; A714-Q718 WeakPolarHBondContact O-CB 3.47Å; A714-Q718 PolarHBondContact O-N 3.42Å; A714-G719 PolarHBondContact O-N 3.03Å |
| 715 | D | 61.2 | Low | 68.3 | Low | 15 Ų | 15 | 42.2 Ų | 42.2 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -47.5 | 164.2 | 41.5 | 17.5 | 0 | 0 | 0 | 110.9 | R641 G643 W713 G719 | R641-D715 IonicContact NH1-OD2 3.4Å; R641-D715 PolarHBondContact NH1-OD2 2.87Å; G643-D715 WeakPolarHBondContact CA-OD2 3.45Å; G643-D715 PolarHBondContact N-OD2 2.75Å; W713-D715 VanDerWaalsContact C-N 3.29Å; W713-D715 PolarHBondContact O-N 2.9Å; D715-G719 PolarHBondContact O-N 2.95Å |
| 716 | I | 59.8 | Low | 68.6 | Low | 50 Ų | 50 | 37 Ų | 37 | 26% | 0.256 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -46.5 | -173.6 | -70.2 | 164.3 | 0 | 0 | 0 | 113.1 | R209 W713 | R209-I716 PolarHBondContact NH1-O 2.77Å; R209-I716 PolarHBondContact NH2-O 2.83Å; W713-I716 HydrophobicContact CE3-CB 4.4Å; W713-I716 HydrophobicContact CE3-CD1 3.5Å; W713-I716 HydrophobicContact CE3-CG2 4.41Å; W713-I716 HydrophobicContact CZ3-CD1 3.76Å; W713-I716 PolarHBondContact O-N 3.03Å; W713-I716 VanDerWaalsContact O-N 3.16Å |
| 717 | Y | 54 | Low | 69.2 | Low | 80 Ų | 80 | 33 Ų | 33 | 31% | 0.314 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -16 | 179.7 | -61.3 | -87 | 0 | 0 | 0 | 113.7 | P211 Q218 W713 | P211-Y717 HydrophobicContact CB-CD1 4.04Å; P211-Y717 HydrophobicContact CB-CE1 3.7Å; P211-Y717 HydrophobicContact CG-CD1 3.78Å; P211-Y717 HydrophobicContact CG-CE1 3.92Å; Q218-Y717 VanDerWaalsContact CD-O 3.3Å; Q218-Y717 PolarHBondContact NE2-O 3.32Å; W713-Y717 HydrophobicContact CB-CD2 3.51Å; W713-Y717 HydrophobicContact CB-CE2 3.71Å; W713-Y717 HydrophobicContact CD2-CE2 4.25Å; W713-Y717 HydrophobicContact CE3-CE2 4.13Å; W713-Y717 HydrophobicContact CG-CD2 4.39Å; W713-Y717 HydrophobicContact CG-CE2 4.11Å; W713-Y717 PolarHBondContact O-N 2.87Å |
| 718 | Q | 59.7 | Low | 70.3 | Confident | 27 Ų | 27 | 25 Ų | 25 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 26.4 | -173.5 | -75.9 | 177.9 | 27.7 | 0 | 0 | 112.7 | F241 R640 Y709 A714 | F241-Q718 WeakPolarHBondContact CD1-O 3.46Å; F241-Q718 HydrophobicContact CD2-CB 4.2Å; F241-Q718 WeakPolarHBondContact CD2-O 3.3Å; F241-Q718 HydrophobicContact CE1-CB 4.03Å; F241-Q718 WeakPolarHBondContact CE1-O 3.43Å; F241-Q718 VanDerWaalsContact CE2-C 3.45Å; F241-Q718 HydrophobicContact CE2-CB 3.39Å; F241-Q718 HydrophobicContact CE2-CG 3.66Å; F241-Q718 VanDerWaalsContact CE2-O 3.28Å; F241-Q718 WeakPolarHBondContact CE2-O 3.35Å; F241-Q718 WeakPolarHBondContact CG-O 3.41Å; F241-Q718 HydrophobicContact CZ-CB 3.31Å; F241-Q718 HydrophobicContact CZ-CG 3.54Å; F241-Q718 WeakPolarHBondContact CZ-O 3.38Å; R640-Q718 PolarHBondContact NH2-O 3.41Å; Y709-Q718 VanDerWaalsContact CD2-NE2 3.32Å; A714-Q718 HydrophobicContact CB-CB 4.4Å; A714-Q718 CarbonylContact O-C 3.57Å; A714-Q718 WeakPolarHBondContact O-CA 3.37Å; A714-Q718 WeakPolarHBondContact O-CB 3.47Å; A714-Q718 PolarHBondContact O-N 3.42Å |
| 719 | G | 64 | Low | 70.8 | Confident | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | trans | 70.9 | 173.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | G243 R640 A714 D715 | G243-G719 CarbonylContact O-C 3.56Å; G243-G719 WeakPolarHBondContact O-CA 3.46Å; R640-G719 PolarHBondContact NH2-O 3.34Å; A714-G719 PolarHBondContact O-N 3.03Å; D715-G719 PolarHBondContact O-N 2.95Å | ||
| 720 | S | 70.7 | Confident | 71.1 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 133.7 | -175.5 | -163.6 | 0 | 0 | 0 | 0 | 111.7 | G243 D644 L722 | G243-S720 PolarHBondContact O-N 2.95Å; D644-S720 WeakPolarHBondContact OD2-CB 3.19Å; D644-S720 PolarHBondContact OD2-OG 3.43Å; S720-L722 PolarHBondContact OG-N 3.33Å |
| 721 | A | 75.2 | Confident | 71.4 | Confident | 19 Ų | 19 | 26.9 Ų | 26.9 | 16% | 0.157 | 14% | 0.135 | C | C | . | . | trans | -92.7 | 2.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y642 L693 N694 | Y642-A721 HydrophobicContact CD1-CB 3.51Å; Y642-A721 HydrophobicContact CE1-CB 3.5Å; L693-A721 WeakPolarHBondContact CA-O 3.48Å; L693-A721 HydrophobicContact CG-CB 4.13Å; N694-A721 PolarHBondContact N-O 3.46Å | ||
| 722 | L | 79.6 | Confident | 71.5 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.6 | -176.6 | -62 | 173 | 0 | 0 | 0 | 110.4 | D644 L647 F691 F692 L693 S720 F725 | D644-L722 HydrophobicContact CB-CD1 3.79Å; L647-L722 HydrophobicContact CD2-CD1 4.13Å; L647-L722 HydrophobicContact CD2-CD2 4Å; L647-L722 HydrophobicContact CG-CD1 4.13Å; F691-L722 HydrophobicContact CB-CD2 4.47Å; F691-L722 HydrophobicContact CD2-CD2 3.78Å; F691-L722 HydrophobicContact CE2-CD2 4.45Å; F691-L722 HydrophobicContact CG-CD2 4.45Å; F692-L722 CarbonylContact O-C 3.52Å; F692-L722 WeakPolarHBondContact O-CA 3.2Å; L693-L722 HydrophobicContact CB-CD2 4.01Å; L693-L722 HydrophobicContact CD1-CD2 3.92Å; L693-L722 HydrophobicContact CG-CD2 4.3Å; S720-L722 PolarHBondContact OG-N 3.33Å; L722-F725 HydrophobicContact CB-CZ 3.92Å; L722-F725 HydrophobicContact CD1-CE1 3.93Å; L722-F725 HydrophobicContact CD1-CZ 3.64Å; L722-F725 HydrophobicContact CG-CZ 4.3Å |
| 723 | T | 74.3 | Confident | 72.2 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 16% | 0.16 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -11.9 | -177.6 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | L340 F692 N694 | L340-T723 HydrophobicContact CD1-CG2 4.42Å; F692-T723 WeakPolarHBondContact CB-OG1 3.25Å; F692-T723 PolarHBondContact O-N 2.89Å; F692-T723 PolarHBondContact O-OG1 2.89Å; N694-T723 HydrophobicContact CB-CG2 3.87Å |
| 724 | G | 80.1 | Confident | 73.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L111 F691 F692 | L111-G724 CarbonylContact O-C 3.54Å; L111-G724 WeakPolarHBondContact O-CA 3.48Å; F691-G724 WeakPolarHBondContact CA-O 3.46Å; F692-G724 PolarHBondContact N-O 3.4Å |
| 725 | F | 82.5 | Confident | 74.8 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154.3 | -173.4 | -51.7 | -91.3 | 0 | 0 | 0 | 111.1 | L111 G112 P153 R154 L690 F691 L722 | L111-F725 CarbonylContact C-O 3.56Å; L111-F725 VanDerWaalsContact C-O 3.31Å; L111-F725 PolarHBondContact O-N 2.86Å; G112-F725 WeakPolarHBondContact CA-O 3.26Å; G112-F725 PolarHBondContact N-O 3.42Å; G112-F725 VanDerWaalsContact N-O 3.13Å; P153-F725 HydrophobicContact CB-CB 3.72Å; P153-F725 HydrophobicContact CB-CG 4.37Å; P153-F725 HydrophobicContact CG-CB 3.73Å; R154-F725 HydrophobicContact CG-CD2 3.81Å; R154-F725 HydrophobicContact CG-CE2 3.89Å; L690-F725 CarbonylContact O-C 3.58Å; L690-F725 WeakPolarHBondContact O-CA 3.44Å; F691-F725 HydrophobicContact CB-CD1 3.8Å; F691-F725 HydrophobicContact CB-CE1 4.01Å; L722-F725 HydrophobicContact CB-CZ 3.92Å; L722-F725 HydrophobicContact CD1-CE1 3.93Å; L722-F725 HydrophobicContact CD1-CZ 3.64Å; L722-F725 HydrophobicContact CG-CZ 4.3Å |
| 726 | V | 83.2 | Confident | 76.4 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | L111 V351 T353 N689 L690 F692 L728 | L111-V726 HydrophobicContact CD1-CG2 4.42Å; L111-V726 HydrophobicContact CD2-CG2 3.6Å; L111-V726 HydrophobicContact CG-CG2 3.89Å; V351-V726 HydrophobicContact CB-CB 4.5Å; V351-V726 HydrophobicContact CB-CG1 4.12Å; V351-V726 HydrophobicContact CB-CG2 3.75Å; V351-V726 HydrophobicContact CG1-CG1 4.2Å; V351-V726 HydrophobicContact CG2-CG2 3.91Å; T353-V726 HydrophobicContact CG2-CG1 4.02Å; N689-V726 CarbonylContact C-O 3.54Å; N689-V726 VanDerWaalsContact CA-O 3.32Å; N689-V726 WeakPolarHBondContact CA-O 3.38Å; L690-V726 HydrophobicContact CB-CB 4.29Å; L690-V726 PolarHBondContact N-O 2.96Å; L690-V726 PolarHBondContact O-N 3.35Å; F692-V726 HydrophobicContact CE2-CG2 3.89Å; V726-L728 PolarHBondContact O-N 2.84Å |
| 727 | S | 81.7 | Confident | 78.1 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.3 | 179.9 | -168 | 0 | 0 | 0 | 0 | 111.1 | P687 Q729 | P687-S727 WeakPolarHBondContact CG-OG 3.38Å; S727-Q729 VanDerWaalsContact C-N 3.26Å; S727-Q729 PolarHBondContact O-N 3.31Å; S727-Q729 PolarHBondContact OG-NE2 2.88Å |
| 728 | L | 81.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -84.2 | 68.2 | 177.8 | -61.2 | -171.7 | 0 | 0 | 0 | 111.2 | L666 P688 L690 V726 N730 V731 V748 F759 | L666-L728 HydrophobicContact CD1-CD1 3.6Å; P688-L728 HydrophobicContact CG-CB 4.16Å; P688-L728 WeakPolarHBondContact O-CB 3.41Å; P688-L728 PolarHBondContact O-N 3.47Å; L690-L728 HydrophobicContact CD1-CD2 3.81Å; L690-L728 HydrophobicContact CG-CD1 4.17Å; L690-L728 HydrophobicContact CG-CD2 3.86Å; L690-L728 HydrophobicContact CG-CG 4.23Å; V726-L728 PolarHBondContact O-N 2.84Å; L728-N730 PolarHBondContact O-N 2.76Å; L728-V731 HydrophobicContact CB-CB 3.94Å; L728-V731 HydrophobicContact CB-CG2 3.89Å; L728-V731 PolarHBondContact O-N 2.85Å; L728-V748 HydrophobicContact CD1-CG1 4.48Å; L728-F759 HydrophobicContact CD2-CD1 4.34Å; L728-F759 HydrophobicContact CD2-CD2 4.36Å; L728-F759 HydrophobicContact CD2-CE1 3.84Å; L728-F759 HydrophobicContact CD2-CE2 3.86Å; L728-F759 HydrophobicContact CD2-CZ 3.59Å | ||
| 729 | Q | 71.5 | Confident | 81.7 | Confident | 60 Ų | 60 | 23.7 Ų | 23.7 | 28% | 0.28 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 130 | 176.4 | -64.9 | -65.1 | -43.3 | 0 | 0 | 111.2 | S727 V731 | S727-Q729 VanDerWaalsContact C-N 3.26Å; S727-Q729 PolarHBondContact O-N 3.31Å; S727-Q729 PolarHBondContact OG-NE2 2.88Å; Q729-V731 VanDerWaalsContact C-N 3.29Å; Q729-V731 PolarHBondContact O-N 2.93Å |
| 730 | N | 71.8 | Confident | 83 | Confident | 120 Ų | 120 | 23.7 Ų | 23.7 | 64% | 0.642 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -0.6 | -175.3 | -49.7 | -72.7 | 0 | 0 | 0 | 117.4 | L728 | L728-N730 PolarHBondContact O-N 2.76Š|
| 731 | V | 79 | Confident | 83.9 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | trans | -91.3 | 132.5 | 167.1 | -165.9 | 0 | 0 | 0 | 0 | 108.3 | P688 L728 Q729 P734 E750 F759 | P688-V731 WeakPolarHBondContact CD-O 3.32Å; P688-V731 HydrophobicContact CG-CB 4.34Å; P688-V731 WeakPolarHBondContact CG-O 3.35Å; L728-V731 HydrophobicContact CB-CB 3.94Å; L728-V731 HydrophobicContact CB-CG2 3.89Å; L728-V731 PolarHBondContact O-N 2.85Å; Q729-V731 VanDerWaalsContact C-N 3.29Å; Q729-V731 PolarHBondContact O-N 2.93Å; V731-P734 HydrophobicContact CG1-CB 3.77Å; V731-P734 HydrophobicContact CG1-CG 4.16Å; V731-E750 HydrophobicContact CG1-CB 4.4Å; V731-E750 HydrophobicContact CG1-CG 4.28Å; V731-F759 HydrophobicContact CG2-CZ 4.13Å | ||
| 732 | R | 76.1 | Confident | 84.3 | Confident | 146 Ų | 146 | 29 Ų | 29 | 55% | 0.551 | 15% | 0.152 | S | C | * | . | trans | -112.6 | -43 | -171.9 | -62.2 | -177.5 | 179 | -167.2 | -1.6 | 113.4 | S669 E750 | S669-R732 PolarHBondContact OG-O 2.9Å; R732-E750 PolarHBondContact N-OE1 2.88Å | ||
| 733 | S | 83.6 | Confident | 84.5 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 19% | 0.189 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -134.9 | 63.2 | -176.8 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | E750 I751 Y752 | S733-E750 PolarHBondContact N-OE1 3.07Å; S733-E750 WeakPolarHBondContact O-CA 3.46Å; S733-I751 PolarHBondContact O-N 2.75Å; S733-Y752 WeakPolarHBondContact OG-CA 3.3Å; S733-Y752 PolarHBondContact OG-N 2.88Å; S733-Y752 PolarHBondContact OG-O 2.86Å |
| 734 | P | 89.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 146.5 | 175.8 | 35.8 | -36.1 | 0 | 0 | 0 | 109.3 | L666 P688 V731 V748 S749 | L666-P734 HydrophobicContact CD1-CB 3.75Å; L666-P734 HydrophobicContact CD1-CG 3.73Å; L666-P734 HydrophobicContact CD2-CB 3.66Å; L666-P734 HydrophobicContact CD2-CG 4.08Å; L666-P734 HydrophobicContact CG-CB 4.15Å; L666-P734 HydrophobicContact CG-CG 4.13Å; P688-P734 HydrophobicContact CB-CG 3.61Å; P688-P734 HydrophobicContact CG-CG 3.61Å; V731-P734 HydrophobicContact CG1-CB 3.77Å; V731-P734 HydrophobicContact CG1-CG 4.16Å; P734-V748 HydrophobicContact CB-CG1 3.6Å; P734-S749 CarbonylContact C-O 3.59Å; P734-S749 VanDerWaalsContact CA-O 3.22Å; P734-S749 WeakPolarHBondContact CA-O 2.96Å |
| 735 | H | 91.6 | Very high | 85.3 | Confident | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | -40.7 | -172.3 | -177.2 | -91 | 0 | 0 | 0 | 113.4 | S372 H442 H604 S749 I751 | S372-H735 PolarHBondContact O-CE1 2.88Å; S372-H735 PolarHBondContact O-ND1 3.41Å; H442-H735 AromaticContact CE1-CE1 3.49Å; H442-H735 PolarHBondContact CE1-CE1 2.82Å; H442-H735 VanDerWaalsContact CE1-CE1 3.49Å; H442-H735 AromaticContact CE1-NE2 3.77Å; H442-H735 AromaticContact NE2-CE1 3.35Å; H442-H735 PolarHBondContact NE2-CE1 2.92Å; H442-H735 AromaticContact NE2-NE2 3.27Å; H442-H735 PolarHBondContact NE2-NE2 2.76Å; H604-H735 AromaticContact CE1-CD2 3.79Å; H604-H735 AromaticContact CE1-CE1 3.81Å; H604-H735 AromaticContact CE1-NE2 3.51Å; H604-H735 AromaticContact NE2-CD2 3.94Å; H604-H735 AromaticContact NE2-NE2 3.53Å; H735-S749 PolarHBondContact N-O 3.17Å; H735-I751 HydrophobicContact CB-CB 4.49Å; H735-I751 HydrophobicContact CB-CD1 3.87Å; H735-I751 HydrophobicContact CB-CG1 3.78Å; H735-I751 WeakPolarHBondContact CD2-CD1 3.27Å |
| 736 | D | 95.5 | Very high | 85.7 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 158.6 | -178.1 | -171.1 | 26.7 | 0 | 0 | 0 | 111.8 | S372 S373 V374 V748 S749 | S372-D736 WeakPolarHBondContact O-CB 3.48Å; S373-D736 WeakPolarHBondContact CA-OD2 3.38Å; S373-D736 WeakPolarHBondContact CB-OD2 3.5Å; S373-D736 PolarHBondContact OG-OD2 3.41Å; V374-D736 PolarHBondContact N-OD2 2.75Å; D736-V748 CarbonylContact O-C 3.58Å; D736-V748 WeakPolarHBondContact O-CA 3.46Å; D736-S749 WeakPolarHBondContact CA-OG 3.36Å; D736-S749 VanDerWaalsContact CB-OG 3.31Å; D736-S749 WeakPolarHBondContact CB-OG 3.08Å; D736-S749 PolarHBondContact N-OG 2.87Å; D736-S749 PolarHBondContact O-N 3.05Å; D736-S749 PolarHBondContact O-OG 2.85Å |
| 737 | L | 95.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.8 | -179.8 | 81.2 | 93.1 | 0 | 0 | 0 | 112.7 | A653 Q655 V664 L666 L690 I746 Y747 V748 | A653-L737 HydrophobicContact CB-CD2 4Å; A653-L737 HydrophobicContact CB-CG 4.12Å; A653-L737 WeakPolarHBondContact O-CD2 3.5Å; Q655-L737 HydrophobicContact CB-CD1 3.77Å; V664-L737 HydrophobicContact CB-CD1 4.32Å; V664-L737 HydrophobicContact CG1-CD1 4.08Å; L666-L737 HydrophobicContact CB-CD2 3.63Å; L690-L737 HydrophobicContact CD2-CD2 4.46Å; L737-I746 HydrophobicContact CD1-CG2 4.48Å; L737-Y747 CarbonylContact C-O 3.51Å; L737-Y747 VanDerWaalsContact CA-O 3.23Å; L737-Y747 WeakPolarHBondContact CA-O 3.12Å; L737-V748 HydrophobicContact CB-CG2 4.27Å |
| 738 | T | 95.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.9 | 171.6 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | V374 E375 T376 Q655 Y747 | V374-T738 HydrophobicContact CB-CG2 4.4Å; V374-T738 HydrophobicContact CG1-CG2 4.11Å; V374-T738 HydrophobicContact CG2-CG2 3.93Å; V374-T738 WeakPolarHBondContact O-CB 3.4Å; V374-T738 WeakPolarHBondContact O-CG2 3.49Å; E375-T738 PolarHBondContact OE2-OG1 2.9Å; E375-T738 VanDerWaalsContact OE2-OG1 3.07Å; T376-T738 HydrophobicContact CG2-CG2 3.47Å; T376-T738 VanDerWaalsContact CG2-CG2 3.47Å; Q655-T738 PolarHBondContact NE2-OG1 2.8Å; Q655-T738 VanDerWaalsContact NE2-OG1 3.1Å; T738-Y747 HydrophobicContact CG2-CD2 4.41Å; T738-Y747 PolarHBondContact N-O 3.04Å; T738-Y747 PolarHBondContact O-N 3.45Å |
| 739 | L | 93.2 | Very high | 87.1 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 149.7 | 177 | -60.7 | 173.7 | 0 | 0 | 0 | 111.2 | T376 Q655 D657 V664 I745 I746 | T376-L739 WeakPolarHBondContact CG2-O 3.45Å; T376-L739 PolarHBondContact OG1-O 3.07Å; Q655-L739 VanDerWaalsContact OE1-CG 3.32Å; D657-L739 HydrophobicContact CB-CD1 3.68Å; V664-L739 HydrophobicContact CG2-CD1 4.46Å; V664-L739 HydrophobicContact CG2-CD2 4.26Å; L739-I745 CarbonylContact C-O 3.6Å; L739-I745 WeakPolarHBondContact CA-O 3.47Å; L739-I746 HydrophobicContact CD2-CB 4.38Å; L739-I746 HydrophobicContact CD2-CG1 3.79Å; L739-I746 HydrophobicContact CD2-CG2 4.36Å |
| 740 | S | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | trans | -61.6 | 156.5 | 164.7 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | T742 N743 D744 I745 | S740-T742 PolarHBondContact O-N 2.88Å; S740-T742 PolarHBondContact OG-OG1 3.35Å; S740-N743 PolarHBondContact O-N 2.86Å; S740-N743 PolarHBondContact O-OD1 3.31Å; S740-N743 PolarHBondContact OG-N 3.02Å; S740-D744 PolarHBondContact OG-N 3.12Å; S740-D744 VanDerWaalsContact OG-N 3.14Å; S740-D744 PolarHBondContact OG-OD1 3.03Å; S740-I745 PolarHBondContact N-O 3.24Å; S740-I745 PolarHBondContact OG-N 2.95Å; S740-I745 PolarHBondContact OG-O 3Å | ||
| 741 | P | 88.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 34% | 0.338 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -9.3 | 176.1 | -21 | 35.1 | 0 | 0 | 0 | 114.5 | T376 V378 H384 | T376-P741 VanDerWaalsContact OG1-CD 3.32Å; T376-P741 WeakPolarHBondContact OG1-CD 3.26Å; V378-P741 HydrophobicContact CG2-CB 3.46Å; V378-P741 VanDerWaalsContact CG2-CB 3.46Å; V378-P741 HydrophobicContact CG2-CG 3.79Å; H384-P741 HydrophobicContact CB-CG 3.7Å |
| 742 | T | 84.2 | Confident | 88.1 | Confident | 91 Ų | 91 | 26.2 Ų | 26.2 | 56% | 0.558 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -3.3 | 173.8 | 33 | 0 | 0 | 0 | 0 | 113 | S740 D744 | S740-T742 PolarHBondContact O-N 2.88Å; S740-T742 PolarHBondContact OG-OG1 3.35Å; T742-D744 WeakPolarHBondContact CB-OD1 3.49Å; T742-D744 PolarHBondContact O-N 2.88Å; T742-D744 PolarHBondContact OG1-OD1 3.11Å |
| 743 | N | 85 | Confident | 88 | Confident | 17 Ų | 17 | 21.2 Ų | 21.2 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 55.6 | 30.5 | 179.2 | -60.4 | 48.4 | 0 | 0 | 0 | 113.7 | D657 P658 V659 S740 I761 | D657-N743 PolarHBondContact OD1-ND2 2.88Å; P658-N743 WeakPolarHBondContact CD-ND2 3.16Å; V659-N743 HydrophobicContact CB-CB 3.92Å; V659-N743 HydrophobicContact CG2-CB 3.76Å; S740-N743 PolarHBondContact O-N 2.86Å; S740-N743 PolarHBondContact O-OD1 3.31Å; S740-N743 PolarHBondContact OG-N 3.02Å; N743-I761 WeakPolarHBondContact O-CD1 3.29Å |
| 744 | D | 82.7 | Confident | 88 | Confident | 68 Ų | 68 | 23.6 Ų | 23.6 | 36% | 0.364 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -114.2 | -6.3 | -177.7 | 67.2 | -26.6 | 0 | 0 | 0 | 113.2 | S740 T742 I761 | S740-D744 PolarHBondContact OG-N 3.12Å; S740-D744 VanDerWaalsContact OG-N 3.14Å; S740-D744 PolarHBondContact OG-OD1 3.03Å; T742-D744 WeakPolarHBondContact CB-OD1 3.49Å; T742-D744 PolarHBondContact O-N 2.88Å; T742-D744 PolarHBondContact OG1-OD1 3.11Å; D744-I761 PolarHBondContact O-N 2.77Å |
| 745 | I | 87.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.4 | 179.2 | -55.8 | 169.6 | 0 | 0 | 0 | 108.9 | L739 S740 Y747 R758 F759 | L739-I745 CarbonylContact C-O 3.6Å; L739-I745 WeakPolarHBondContact CA-O 3.47Å; S740-I745 PolarHBondContact N-O 3.24Å; S740-I745 PolarHBondContact OG-N 2.95Å; S740-I745 PolarHBondContact OG-O 3Å; I745-Y747 HydrophobicContact CB-CE2 4.15Å; I745-Y747 HydrophobicContact CG2-CD1 4.33Å; I745-Y747 HydrophobicContact CG2-CD2 4.24Å; I745-Y747 HydrophobicContact CG2-CE1 3.78Å; I745-Y747 HydrophobicContact CG2-CE2 3.7Å; I745-Y747 VanDerWaalsContact CG2-CZ 3.46Å; I745-R758 HydrophobicContact CG2-CG 3.7Å; I745-F759 CarbonylContact C-O 3.5Å; I745-F759 VanDerWaalsContact CA-O 3.31Å; I745-F759 WeakPolarHBondContact CA-O 3.41Å; I745-F759 WeakPolarHBondContact CG2-O 3.26Å |
| 746 | I | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.5 | 170.4 | -45 | 174.5 | 0 | 0 | 0 | 107.6 | V351 V664 L690 F692 L737 L739 V748 F759 I761 | V351-I746 HydrophobicContact CG2-CD1 4.48Å; V664-I746 HydrophobicContact CG1-CD1 4.13Å; L690-I746 HydrophobicContact CD1-CD1 3.83Å; L690-I746 HydrophobicContact CD1-CG2 4.31Å; L690-I746 HydrophobicContact CD2-CG2 4.25Å; F692-I746 HydrophobicContact CE1-CD1 4.23Å; F692-I746 HydrophobicContact CZ-CD1 4.02Å; L737-I746 HydrophobicContact CD1-CG2 4.48Å; L739-I746 HydrophobicContact CD2-CB 4.38Å; L739-I746 HydrophobicContact CD2-CG1 3.79Å; L739-I746 HydrophobicContact CD2-CG2 4.36Å; I746-V748 HydrophobicContact CG2-CG2 4.3Å; I746-F759 HydrophobicContact CB-CB 4.35Å; I746-F759 PolarHBondContact N-O 3.22Å; I746-F759 PolarHBondContact O-N 2.99Å; I746-I761 HydrophobicContact CD1-CD1 4.06Å; I746-I761 HydrophobicContact CD1-CG1 4.02Å; I746-I761 HydrophobicContact CG1-CD1 3.73Å; I746-I761 HydrophobicContact CG1-CG1 3.86Å |
| 747 | Y | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.3 | 170.5 | -61.1 | -76.4 | 0 | 0 | 0 | 109.4 | I361 T376 H384 L386 P424 L737 T738 I745 V756 H757 R758 | I361-Y747 HydrophobicContact CD1-CD1 3.74Å; I361-Y747 HydrophobicContact CD1-CE1 3.46Å; I361-Y747 VanDerWaalsContact CD1-CE1 3.46Å; T376-Y747 HydrophobicContact CG2-CD2 3.73Å; T376-Y747 HydrophobicContact CG2-CE2 4.03Å; H384-Y747 AromaticContact NE2-CE2 3.78Å; H384-Y747 AromaticContact NE2-CZ 3.69Å; H384-Y747 PolarHBondContact NE2-OH 2.89Å; L386-Y747 HydrophobicContact CD1-CD1 4.03Å; L386-Y747 HydrophobicContact CD1-CE1 4.17Å; L386-Y747 HydrophobicContact CD1-CG 4.45Å; L386-Y747 HydrophobicContact CD2-CD1 4.08Å; L386-Y747 HydrophobicContact CD2-CD2 3.64Å; L386-Y747 HydrophobicContact CD2-CE1 4.1Å; L386-Y747 HydrophobicContact CD2-CE2 3.65Å; L386-Y747 HydrophobicContact CD2-CG 3.84Å; P424-Y747 HydrophobicContact CB-CE1 4.29Å; P424-Y747 WeakPolarHBondContact CB-OH 3.13Å; L737-Y747 CarbonylContact C-O 3.51Å; L737-Y747 VanDerWaalsContact CA-O 3.23Å; L737-Y747 WeakPolarHBondContact CA-O 3.12Å; T738-Y747 HydrophobicContact CG2-CD2 4.41Å; T738-Y747 PolarHBondContact N-O 3.04Å; T738-Y747 PolarHBondContact O-N 3.45Å; I745-Y747 HydrophobicContact CB-CE2 4.15Å; I745-Y747 HydrophobicContact CG2-CD1 4.33Å; I745-Y747 HydrophobicContact CG2-CD2 4.24Å; I745-Y747 HydrophobicContact CG2-CE1 3.78Å; I745-Y747 HydrophobicContact CG2-CE2 3.7Å; I745-Y747 VanDerWaalsContact CG2-CZ 3.46Å; Y747-V756 HydrophobicContact CD1-CG1 4.45Å; Y747-H757 VanDerWaalsContact CA-O 3.3Å; Y747-H757 WeakPolarHBondContact CA-O 3.48Å; Y747-R758 HydrophobicContact CD1-CB 4.23Å; Y747-R758 HydrophobicContact CD1-CG 4.37Å; Y747-R758 HydrophobicContact CE1-CB 4.1Å; Y747-R758 HydrophobicContact CE1-CG 3.83Å |
| 748 | V | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.9 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | L666 L690 L728 P734 D736 L737 I746 V756 H757 F759 | L666-V748 HydrophobicContact CD1-CG1 4.25Å; L666-V748 HydrophobicContact CD2-CG1 4.26Å; L690-V748 HydrophobicContact CD2-CG2 4.2Å; L728-V748 HydrophobicContact CD1-CG1 4.48Å; P734-V748 HydrophobicContact CB-CG1 3.6Å; D736-V748 CarbonylContact O-C 3.58Å; D736-V748 WeakPolarHBondContact O-CA 3.46Å; L737-V748 HydrophobicContact CB-CG2 4.27Å; I746-V748 HydrophobicContact CG2-CG2 4.3Å; V748-V756 WeakPolarHBondContact O-CA 3.45Å; V748-H757 PolarHBondContact N-O 3.34Å; V748-H757 VanDerWaalsContact N-O 3.09Å; V748-H757 PolarHBondContact O-N 3.31Å; V748-F759 HydrophobicContact CB-CE2 4.01Å; V748-F759 HydrophobicContact CG2-CD2 3.96Å; V748-F759 HydrophobicContact CG2-CE2 3.72Å |
| 749 | S | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 142.8 | 171.1 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | P734 H735 D736 | P734-S749 CarbonylContact C-O 3.59Å; P734-S749 VanDerWaalsContact CA-O 3.22Å; P734-S749 WeakPolarHBondContact CA-O 2.96Å; H735-S749 PolarHBondContact N-O 3.17Å; D736-S749 WeakPolarHBondContact CA-OG 3.36Å; D736-S749 VanDerWaalsContact CB-OG 3.31Å; D736-S749 WeakPolarHBondContact CB-OG 3.08Å; D736-S749 PolarHBondContact N-OG 2.87Å; D736-S749 PolarHBondContact O-N 3.05Å; D736-S749 PolarHBondContact O-OG 2.85Å |
| 750 | E | 86 | Confident | 85.2 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123 | 172.4 | -176.7 | 174.3 | -145.6 | 0 | 0 | 109.6 | V731 R732 S733 Y752 P753 K755 H757 | V731-E750 HydrophobicContact CG1-CB 4.4Å; V731-E750 HydrophobicContact CG1-CG 4.28Å; R732-E750 PolarHBondContact N-OE1 2.88Å; S733-E750 PolarHBondContact N-OE1 3.07Å; S733-E750 WeakPolarHBondContact O-CA 3.46Å; E750-Y752 VanDerWaalsContact C-N 3.33Å; E750-P753 WeakPolarHBondContact CG-O 3.09Å; E750-K755 HydrophobicContact CB-CB 4.33Å; E750-K755 PolarHBondContact N-O 3.05Å; E750-K755 PolarHBondContact O-N 3.43Å; E750-H757 IonicContact OE2-CD2 2.76Å; E750-H757 IonicContact OE2-CE1 3.78Å; E750-H757 PolarHBondContact OE2-CE1 2.8Å; E750-H757 IonicContact OE2-NE2 2.84Å; E750-H757 PolarHBondContact OE2-NE2 3.39Å |
| 751 | I | 84.5 | Confident | 84.2 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.4 | 179.9 | -92.3 | -174.2 | 0 | 0 | 0 | 111.7 | Q370 S733 H735 Y754 | Q370-I751 HydrophobicContact CB-CG1 4.47Å; Q370-I751 HydrophobicContact CG-CG2 4.15Å; S733-I751 PolarHBondContact O-N 2.75Å; H735-I751 HydrophobicContact CB-CB 4.49Å; H735-I751 HydrophobicContact CB-CD1 3.87Å; H735-I751 HydrophobicContact CB-CG1 3.78Å; H735-I751 WeakPolarHBondContact CD2-CD1 3.27Å; I751-Y754 WeakPolarHBondContact O-CD1 3.49Å; I751-Y754 WeakPolarHBondContact O-CE1 3.28Å |
| 752 | Y | 72.1 | Confident | 82.8 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 33% | 0.333 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -157.6 | 120.1 | 172.8 | -175.5 | -93.6 | 0 | 0 | 0 | 112.8 | S733 E750 Y754 L921 | S733-Y752 WeakPolarHBondContact OG-CA 3.3Å; S733-Y752 PolarHBondContact OG-N 2.88Å; S733-Y752 PolarHBondContact OG-O 2.86Å; E750-Y752 VanDerWaalsContact C-N 3.33Å; Y752-Y754 HydrophobicContact CD2-CE1 4.2Å; Y752-L921 HydrophobicContact CD1-CD1 3.44Å; Y752-L921 VanDerWaalsContact CD1-CD1 3.44Å; Y752-L921 HydrophobicContact CD1-CD2 4.5Å; Y752-L921 HydrophobicContact CE1-CD1 3.61Å; Y752-L921 HydrophobicContact CE1-CD2 4.03Å; Y752-L921 HydrophobicContact CE1-CG 4.44Å; Y752-L921 HydrophobicContact CG-CD1 4.26Å |
| 753 | P | 74.2 | Confident | 81.1 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 27% | 0.266 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -68.3 | 150.5 | -4.7 | 28.6 | -37 | 0 | 0 | 0 | 113.5 | E750 K755 | E750-P753 WeakPolarHBondContact CG-O 3.09Å; P753-K755 HydrophobicContact CB-CD 4.4Å; P753-K755 HydrophobicContact CG-CD 3.86Å; P753-K755 VanDerWaalsContact CG-CE 3.5Å; P753-K755 HydrophobicContact CG-CG 4.42Å; P753-K755 PolarHBondContact O-N 2.79Å |
| 754 | Y | 83.9 | Confident | 79.1 | Confident | 78 Ų | 78 | 30.6 Ų | 30.6 | 31% | 0.306 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 92.5 | -176.1 | -49 | -32.2 | 0 | 0 | 0 | 112.8 | L368 G369 Q370 I751 Y752 | L368-Y754 WeakPolarHBondContact O-CD2 3.03Å; G369-Y754 VanDerWaalsContact C-CG 3.45Å; G369-Y754 WeakPolarHBondContact O-CB 3.18Å; G369-Y754 WeakPolarHBondContact O-CD1 3.49Å; Q370-Y754 VanDerWaalsContact CA-CD1 3.5Å; Q370-Y754 HydrophobicContact CB-CE1 4.26Å; Q370-Y754 HydrophobicContact CG-CD1 4.4Å; Q370-Y754 HydrophobicContact CG-CE1 3.71Å; I751-Y754 WeakPolarHBondContact O-CD1 3.49Å; I751-Y754 WeakPolarHBondContact O-CE1 3.28Å; Y752-Y754 HydrophobicContact CD2-CE1 4.2Å |
| 755 | K | 84 | Confident | 76.7 | Confident | 64 Ų | 64 | 30.7 Ų | 30.7 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 159.3 | -169.9 | -70.7 | 178.9 | -175.3 | 167.7 | 0 | 112.3 | V360 E750 P753 | V360-K755 HydrophobicContact CG1-CB 4Å; V360-K755 HydrophobicContact CG1-CD 3.67Å; V360-K755 HydrophobicContact CG1-CG 3.67Å; V360-K755 HydrophobicContact CG2-CD 4.16Å; E750-K755 HydrophobicContact CB-CB 4.33Å; E750-K755 PolarHBondContact N-O 3.05Å; E750-K755 PolarHBondContact O-N 3.43Å; P753-K755 HydrophobicContact CB-CD 4.4Å; P753-K755 HydrophobicContact CG-CD 3.86Å; P753-K755 VanDerWaalsContact CG-CE 3.5Å; P753-K755 HydrophobicContact CG-CG 4.42Å; P753-K755 PolarHBondContact O-N 2.79Å |
| 756 | V | 88.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.5 | 160.5 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | I361 L362 V371 V374 L386 V388 Y747 V748 | I361-V756 PolarHBondContact N-O 2.84Å; I361-V756 VanDerWaalsContact N-O 3.13Å; L362-V756 HydrophobicContact CD1-CG2 4.22Å; V371-V756 HydrophobicContact CG1-CG2 4.02Å; V374-V756 HydrophobicContact CG2-CG1 4.14Å; L386-V756 HydrophobicContact CD1-CG1 4.16Å; V388-V756 HydrophobicContact CG1-CG2 4.17Å; V388-V756 HydrophobicContact CG2-CG2 4.19Å; Y747-V756 HydrophobicContact CD1-CG1 4.45Å; V748-V756 WeakPolarHBondContact O-CA 3.45Å |
| 757 | H | 85.9 | Confident | 71.5 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 156.1 | 177.5 | -61.1 | -88.7 | 0 | 0 | 0 | 110.6 | N359 Y747 V748 E750 F759 | N359-H757 CarbonylContact O-C 3.54Å; N359-H757 WeakPolarHBondContact O-CA 3.47Å; Y747-H757 VanDerWaalsContact CA-O 3.3Å; Y747-H757 WeakPolarHBondContact CA-O 3.48Å; V748-H757 PolarHBondContact N-O 3.34Å; V748-H757 VanDerWaalsContact N-O 3.09Å; V748-H757 PolarHBondContact O-N 3.31Å; E750-H757 IonicContact OE2-CD2 2.76Å; E750-H757 IonicContact OE2-CE1 3.78Å; E750-H757 PolarHBondContact OE2-CE1 2.8Å; E750-H757 IonicContact OE2-NE2 2.84Å; E750-H757 PolarHBondContact OE2-NE2 3.39Å; H757-F759 HydrophobicContact CB-CE2 3.63Å; H757-F759 HydrophobicContact CB-CZ 3.75Å |
| 758 | R | 85.9 | Confident | 68.6 | Low | 34 Ų | 34 | 38.7 Ų | 38.7 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.8 | -178.9 | 179.1 | -179.3 | 175.5 | -90.2 | -4.6 | 109.8 | N359 I361 I745 Y747 E760 | N359-R758 HydrophobicContact CB-CB 4.14Å; N359-R758 VanDerWaalsContact CG-O 3.3Å; N359-R758 PolarHBondContact ND2-O 3.09Å; N359-R758 WeakPolarHBondContact O-CB 3.37Å; N359-R758 PolarHBondContact O-N 3.01Å; N359-R758 PolarHBondContact OD1-NH1 3.33Å; N359-R758 VanDerWaalsContact OD1-NH1 3.09Å; I361-R758 HydrophobicContact CD1-CB 4.19Å; I745-R758 HydrophobicContact CG2-CG 3.7Å; Y747-R758 HydrophobicContact CD1-CB 4.23Å; Y747-R758 HydrophobicContact CD1-CG 4.37Å; Y747-R758 HydrophobicContact CE1-CB 4.1Å; Y747-R758 HydrophobicContact CE1-CG 3.83Å; R758-E760 IonicContact CZ-OE1 2.89Å; R758-E760 IonicContact NH1-OE1 2.77Å; R758-E760 PolarHBondContact NH1-OE1 3.23Å; R758-E760 IonicContact NH2-OE1 2.78Å; R758-E760 PolarHBondContact NH2-OE1 2.73Å |
| 759 | F | 82.5 | Confident | 65.4 | Low | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.3 | 177.4 | -56.1 | -75.3 | 0 | 0 | 0 | 109.8 | V351 T353 L690 L728 V731 I745 I746 V748 H757 | V351-F759 HydrophobicContact CG1-CB 3.76Å; T353-F759 HydrophobicContact CG2-CD1 3.89Å; T353-F759 HydrophobicContact CG2-CE1 3.99Å; L690-F759 HydrophobicContact CD1-CD2 4.41Å; L728-F759 HydrophobicContact CD2-CD1 4.34Å; L728-F759 HydrophobicContact CD2-CD2 4.36Å; L728-F759 HydrophobicContact CD2-CE1 3.84Å; L728-F759 HydrophobicContact CD2-CE2 3.86Å; L728-F759 HydrophobicContact CD2-CZ 3.59Å; V731-F759 HydrophobicContact CG2-CZ 4.13Å; I745-F759 CarbonylContact C-O 3.5Å; I745-F759 VanDerWaalsContact CA-O 3.31Å; I745-F759 WeakPolarHBondContact CA-O 3.41Å; I745-F759 WeakPolarHBondContact CG2-O 3.26Å; I746-F759 HydrophobicContact CB-CB 4.35Å; I746-F759 PolarHBondContact N-O 3.22Å; I746-F759 PolarHBondContact O-N 2.99Å; V748-F759 HydrophobicContact CB-CE2 4.01Å; V748-F759 HydrophobicContact CG2-CD2 3.96Å; V748-F759 HydrophobicContact CG2-CE2 3.72Å; H757-F759 HydrophobicContact CB-CE2 3.63Å; H757-F759 HydrophobicContact CB-CZ 3.75Å |
| 760 | E | 75.9 | Confident | 62.5 | Low | 51 Ų | 51 | 46.8 Ų | 46.8 | 24% | 0.238 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129 | 178.2 | -69.4 | 177.3 | -177.3 | 0 | 0 | 110.6 | V351 Q352 R758 Q762 | V351-E760 CarbonylContact C-O 3.6Å; V351-E760 VanDerWaalsContact CA-O 3.29Å; V351-E760 WeakPolarHBondContact CA-O 3.13Å; Q352-E760 PolarHBondContact N-O 3.21Å; Q352-E760 VanDerWaalsContact N-O 3.08Å; R758-E760 IonicContact CZ-OE1 2.89Å; R758-E760 IonicContact NH1-OE1 2.77Å; R758-E760 PolarHBondContact NH1-OE1 3.23Å; R758-E760 IonicContact NH2-OE1 2.78Å; R758-E760 PolarHBondContact NH2-OE1 2.73Å; E760-Q762 HydrophobicContact CB-CG 4.15Å; E760-Q762 PolarHBondContact O-N 3.06Å; E760-Q762 PolarHBondContact OE2-NE2 3.4Å |
| 761 | I | 70 | Confident | 59.8 | Low | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 94.2 | 166.4 | -55.1 | 169.1 | 0 | 0 | 0 | 106.7 | L342 A349 V351 N743 D744 I746 | L342-I761 HydrophobicContact CD1-CG2 3.57Å; A349-I761 HydrophobicContact CB-CG2 4.39Å; V351-I761 HydrophobicContact CG2-CG1 4.33Å; N743-I761 WeakPolarHBondContact O-CD1 3.29Å; D744-I761 PolarHBondContact O-N 2.77Å; I746-I761 HydrophobicContact CD1-CD1 4.06Å; I746-I761 HydrophobicContact CD1-CG1 4.02Å; I746-I761 HydrophobicContact CG1-CD1 3.73Å; I746-I761 HydrophobicContact CG1-CG1 3.86Å |
| 762 | Q | 58.3 | Low | 57 | Low | 53 Ų | 53 | 61.6 Ų | 61.6 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.8 | 176.3 | -68.5 | -178.4 | 6 | 0 | 0 | 109.6 | A349 S350 E760 D764 | A349-Q762 CarbonylContact C-O 3.47Å; A349-Q762 WeakPolarHBondContact CA-O 3.39Å; S350-Q762 PolarHBondContact N-O 3.32Å; S350-Q762 PolarHBondContact O-N 3.19Å; E760-Q762 HydrophobicContact CB-CG 4.15Å; E760-Q762 PolarHBondContact O-N 3.06Å; E760-Q762 PolarHBondContact OE2-NE2 3.4Å; Q762-D764 PolarHBondContact O-N 3.38Å |
| 763 | N | 49.5 | Very low | 54.7 | Low | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 95.8 | 162.2 | -79.4 | -26.2 | 0 | 0 | 0 | 108.8 | S347 I348 S765 | S347-N763 PolarHBondContact OG-OD1 3.37Å; I348-N763 CarbonylContact O-C 3.6Å; I348-N763 WeakPolarHBondContact O-CA 3.34Å; N763-S765 PolarHBondContact O-N 3.16Å; N763-S765 PolarHBondContact O-OG 2.8Å |
| 764 | D | 42.4 | Very low | 52.5 | Low | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 59.7 | 160.1 | -89.9 | -44.2 | 0 | 0 | 0 | 111.4 | I348 S350 Q762 F767 | I348-D764 HydrophobicContact CB-CB 3.85Å; I348-D764 HydrophobicContact CG2-CB 4.07Å; I348-D764 PolarHBondContact N-O 3.35Å; I348-D764 CarbonylContact O-C 3.56Å; I348-D764 VanDerWaalsContact O-CA 3.25Å; I348-D764 WeakPolarHBondContact O-CA 3.07Å; I348-D764 WeakPolarHBondContact O-CB 3.42Å; I348-D764 PolarHBondContact O-N 3.49Å; S350-D764 WeakPolarHBondContact CB-OD2 3.49Å; S350-D764 PolarHBondContact OG-OD2 3.19Å; Q762-D764 PolarHBondContact O-N 3.38Å; D764-F767 HydrophobicContact CB-CD2 4.37Å |
| 765 | S | 31.6 | Very low | 49.8 | Very low | 70 Ų | 70 | 75 Ų | 75 | 49% | 0.49 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.8 | -19.2 | 157.2 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | N763 F767 T768 G769 | N763-S765 PolarHBondContact O-N 3.16Å; N763-S765 PolarHBondContact O-OG 2.8Å; S765-F767 VanDerWaalsContact C-N 3.26Å; S765-F767 PolarHBondContact O-N 3.05Å; S765-T768 PolarHBondContact O-N 3.37Å; S765-T768 PolarHBondContact O-OG1 2.79Å; S765-G769 PolarHBondContact O-N 2.82Å |
| 766 | G | 28.8 | Very low | 46.9 | Very low | 57 Ų | 57 | 80.4 Ų | 80.4 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60 | -31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 767 | F | 40 | Very low | 43.8 | Very low | 84 Ų | 84 | 85.1 Ų | 85.1 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -87.2 | -27.8 | 178.1 | -72.7 | -83 | 0 | 0 | 0 | 113.6 | D764 S765 | D764-F767 HydrophobicContact CB-CD2 4.37Å; S765-F767 VanDerWaalsContact C-N 3.26Å; S765-F767 PolarHBondContact O-N 3.05Å |
| 768 | T | 32.2 | Very low | 40.8 | Very low | 34 Ų | 34 | 92.2 Ų | 92.2 | 21% | 0.209 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -81.9 | -22.6 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | N346 S765 L770 E771 | N346-T768 WeakPolarHBondContact O-CG2 3.45Å; S765-T768 PolarHBondContact O-N 3.37Å; S765-T768 PolarHBondContact O-OG1 2.79Å; T768-L770 PolarHBondContact O-N 2.84Å; T768-L770 VanDerWaalsContact O-N 3.07Å; T768-E771 PolarHBondContact O-N 3.4Å |
| 769 | G | 25 | Very low | 37.8 | Very low | 47 Ų | 47 | 98.9 Ų | 98.9 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.3 | S765 | S765-G769 PolarHBondContact O-N 2.82Š|
| 770 | L | 31.1 | Very low | 35 | Very low | 123 Ų | 123 | 104.3 Ų | 104.3 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -18.4 | 178.7 | -72.5 | 173.3 | 0 | 0 | 0 | 114.5 | T768 | T768-L770 PolarHBondContact O-N 2.84Å; T768-L770 VanDerWaalsContact O-N 3.07Å |
| 771 | E | 29.7 | Very low | 32.5 | Very low | 147 Ų | 147 | 105.2 Ų | 105.2 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -20.6 | 177.3 | -74 | -175.4 | 148.6 | 0 | 0 | 113.4 | T768 | T768-E771 PolarHBondContact O-N 3.4Š|
| 772 | Q | 25.4 | Very low | 30.5 | Very low | 178 Ų | 178 | 112.2 Ų | 112.2 | 83% | 0.832 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -99.1 | 7.1 | -172.6 | -136.2 | 174.4 | 9.3 | 0 | 0 | 114.9 | N774 | Q772-N774 PolarHBondContact O-N 2.88Š|
| 773 | R | 24 | Very low | 29 | Very low | 191 Ų | 191 | 118.8 Ų | 118.8 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | trans | -84.7 | 53.9 | -178.9 | -143.3 | -178.2 | -156.2 | -146.9 | 5.7 | 113 | ||||
| 774 | N | 28.2 | Very low | 27.9 | Very low | 153 Ų | 153 | 118.8 Ų | 118.8 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -86.8 | -7.9 | 173.5 | -92.5 | -13.6 | 0 | 0 | 0 | 113.9 | Q772 | Q772-N774 PolarHBondContact O-N 2.88Š| ||
| 775 | D | 26.1 | Very low | 27.1 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -79 | 129 | 174.4 | -74.3 | -31.9 | 0 | 0 | 0 | 111.6 | V777 | D775-V777 VanDerWaalsContact C-N 3.34Å; D775-V777 PolarHBondContact O-N 2.85Å |
| 776 | L | 22.7 | Very low | 27 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 93% | 0.927 | 72% | 0.715 | S | S | * | * | trans | -58.7 | 86.2 | 176.6 | -71.2 | 151 | 0 | 0 | 0 | 111.1 | E778 | L776-E778 VanDerWaalsContact C-N 3.33Å; L776-E778 PolarHBondContact O-N 2.79Å | ||
| 777 | V | 25 | Very low | 27 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | trans | -72.9 | 96.1 | 164.6 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | D775 L779 | D775-V777 VanDerWaalsContact C-N 3.34Å; D775-V777 PolarHBondContact O-N 2.85Å; V777-L779 PolarHBondContact O-N 2.81Å | ||
| 778 | E | 22.8 | Very low | 26.4 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | -44.4 | 127 | 167.4 | -139.2 | 175.4 | -173.6 | 0 | 0 | 109.8 | L776 V780 | L776-E778 VanDerWaalsContact C-N 3.33Å; L776-E778 PolarHBondContact O-N 2.79Å; E778-V780 PolarHBondContact O-N 3.02Å | ||
| 779 | L | 22.6 | Very low | 26 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 76.3 | 178.7 | -85.8 | 120.3 | 0 | 0 | 0 | 110.7 | V777 G781 | V777-L779 PolarHBondContact O-N 2.81Å; L779-G781 VanDerWaalsContact C-N 3.28Å; L779-G781 PolarHBondContact O-N 2.86Å | ||
| 780 | V | 24.7 | Very low | 26.2 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 94.3 | 159.7 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | E778 I782 | E778-V780 PolarHBondContact O-N 3.02Å; V780-I782 PolarHBondContact O-N 2.79Å | ||
| 781 | G | 22.6 | Very low | 26.2 | Very low | 70 Ų | 70 | 159.5 Ų | 159.5 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 120.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L779 | L779-G781 VanDerWaalsContact C-N 3.28Å; L779-G781 PolarHBondContact O-N 2.86Å | ||
| 782 | I | 27.6 | Very low | 26.6 | Very low | 161 Ų | 161 | 158.8 Ų | 158.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 130 | 153.7 | -57.9 | -178.2 | 0 | 0 | 0 | 106.4 | V780 | V780-I782 PolarHBondContact O-N 2.79Š| ||
| 783 | E | 27 | Very low | 28 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -59.4 | 145.4 | -165.6 | -61.6 | 172.3 | 133.6 | 0 | 0 | 113.3 | ||||
| 784 | G | 25.7 | Very low | 29.6 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -62.8 | 138.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 785 | R | 25.3 | Very low | 31.3 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -108.2 | 102 | 162.2 | -67.9 | -171.3 | -174.9 | -168.2 | 2.6 | 109.7 | ||||
| 786 | Y | 29.8 | Very low | 33.1 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 140.8 | 163.6 | -80.4 | -90.3 | 0 | 0 | 0 | 110.1 | ||||
| 787 | I | 30.2 | Very low | 35.1 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -61.3 | 137.9 | 178.4 | -63.6 | 161.6 | 0 | 0 | 0 | 109.4 | K789 | I787-K789 PolarHBondContact O-N 2.79Š| ||
| 788 | W | 25.7 | Very low | 37.3 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -65.5 | 87.1 | -169.1 | -66.6 | 83.5 | 0 | 0 | 0 | 113.5 | L790 H791 | W788-L790 PolarHBondContact O-N 2.82Å; W788-H791 AromaticContact CE3-CD2 3.97Å; W788-H791 AromaticContact CE3-NE2 3.97Å; W788-H791 AromaticContact CZ3-CD2 3.67Å; W788-H791 AromaticContact CZ3-NE2 3.92Å | ||
| 789 | K | 24.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -65.3 | 125.5 | 145.6 | -84.1 | -176.6 | 175.2 | 177 | 0 | 107.7 | I787 H791 | I787-K789 PolarHBondContact O-N 2.79Å; K789-H791 PolarHBondContact O-N 3.05Å; K789-H791 PolarHBondContact O-ND1 2.8Å | ||
| 790 | L | 29.6 | Very low | 42.3 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 91% | 0.911 | 70% | 0.697 | S | S | * | * | trans | -40 | 106.6 | -178 | -162.4 | 76 | 0 | 0 | 0 | 110.8 | W788 T792 | W788-L790 PolarHBondContact O-N 2.82Å; L790-T792 PolarHBondContact O-N 2.04Å; L790-T792 VanDerWaalsContact O-N 3.09Å | ||
| 791 | H | 32.2 | Very low | 45 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 55% | 0.546 | 69% | 0.685 | S | S | . | * | trans | -68.7 | 111 | -166.1 | -81.7 | 7.4 | 0 | 0 | 0 | 111.6 | W788 K789 L793 | W788-H791 AromaticContact CE3-CD2 3.97Å; W788-H791 AromaticContact CE3-NE2 3.97Å; W788-H791 AromaticContact CZ3-CD2 3.67Å; W788-H791 AromaticContact CZ3-NE2 3.92Å; K789-H791 PolarHBondContact O-N 3.05Å; K789-H791 PolarHBondContact O-ND1 2.8Å; H791-L793 PolarHBondContact O-N 3.01Å; H791-L793 VanDerWaalsContact O-N 3.11Å | ||
| 792 | T | 37.5 | Very low | 47.6 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | trans | -62.2 | 107.5 | 153.8 | 39.3 | 0 | 0 | 0 | 0 | 107.7 | L790 T794 | L790-T792 PolarHBondContact O-N 2.04Å; L790-T792 VanDerWaalsContact O-N 3.09Å; T792-T794 PolarHBondContact O-N 2.84Å | ||
| 793 | L | 53.8 | Low | 50.4 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 47% | 0.466 | 67% | 0.665 | S | S | . | * | trans | -56.4 | 130.2 | 176.6 | -70.8 | 100.8 | 0 | 0 | 0 | 109.2 | H791 Q797 L798 L801 | H791-L793 PolarHBondContact O-N 3.01Å; H791-L793 VanDerWaalsContact O-N 3.11Å; L793-Q797 HydrophobicContact CB-CB 4.38Å; L793-Q797 HydrophobicContact CD2-CB 4.33Å; L793-L798 HydrophobicContact CB-CD1 4.1Å; L793-L798 HydrophobicContact CB-CG 3.88Å; L793-L798 WeakPolarHBondContact O-CD1 3.23Å; L793-L801 HydrophobicContact CD2-CD1 4.14Å | ||
| 794 | T | 58.6 | Low | 53.2 | Low | 73 Ų | 73 | 129.1 Ų | 129.1 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | trans | -64.8 | 155.5 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | T792 Y796 Q797 L798 | T792-T794 PolarHBondContact O-N 2.84Å; T794-Y796 PolarHBondContact O-N 2.9Å; T794-Q797 PolarHBondContact O-N 3.11Å; T794-Q797 WeakPolarHBondContact OG1-CG 3.18Å; T794-Q797 PolarHBondContact OG1-N 3.08Å; T794-L798 PolarHBondContact O-N 3.4Å | ||
| 795 | P | 63.2 | Low | 56.1 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -53.6 | -33.3 | 179.8 | -28.1 | 35.8 | 0 | 0 | 0 | 113.4 | S799 | P795-S799 WeakPolarHBondContact O-CB 3.3Å; P795-S799 PolarHBondContact O-N 2.82Å; P795-S799 PolarHBondContact O-OG 3.36Å |
| 796 | Y | 64.6 | Low | 59.1 | Low | 193 Ų | 193 | 125.4 Ų | 125.4 | 76% | 0.757 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -37 | 176.3 | -59.1 | -72.9 | 0 | 0 | 0 | 113.7 | T794 S799 G800 | T794-Y796 PolarHBondContact O-N 2.9Å; Y796-S799 WeakPolarHBondContact CA-OG 3.42Å; Y796-S799 PolarHBondContact O-OG 3.09Å; Y796-G800 PolarHBondContact O-N 3.38Å |
| 797 | Q | 64.4 | Low | 61.8 | Low | 124 Ų | 124 | 118.5 Ų | 118.5 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -39.5 | 173.5 | -68.9 | -67.5 | -14.4 | 0 | 0 | 110.8 | L793 T794 G800 L801 | L793-Q797 HydrophobicContact CB-CB 4.38Å; L793-Q797 HydrophobicContact CD2-CB 4.33Å; T794-Q797 PolarHBondContact O-N 3.11Å; T794-Q797 WeakPolarHBondContact OG1-CG 3.18Å; T794-Q797 PolarHBondContact OG1-N 3.08Å; Q797-G800 PolarHBondContact O-N 3.15Å; Q797-L801 VanDerWaalsContact O-CB 3.27Å; Q797-L801 WeakPolarHBondContact O-CB 3.31Å; Q797-L801 PolarHBondContact O-N 3Å |
| 798 | L | 70.6 | Confident | 64.5 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62 | -44 | 171.5 | -89.5 | 155.9 | 0 | 0 | 0 | 112.4 | L793 T794 S802 | L793-L798 HydrophobicContact CB-CD1 4.1Å; L793-L798 HydrophobicContact CB-CG 3.88Å; L793-L798 WeakPolarHBondContact O-CD1 3.23Å; T794-L798 PolarHBondContact O-N 3.4Å; L798-S802 VanDerWaalsContact O-CB 3.23Å; L798-S802 WeakPolarHBondContact O-CB 3.37Å; L798-S802 PolarHBondContact O-N 3.06Å |
| 799 | S | 72.5 | Confident | 67.5 | Low | 66 Ų | 66 | 110 Ų | 110 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67 | -38.4 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | P795 Y796 S802 F803 | P795-S799 WeakPolarHBondContact O-CB 3.3Å; P795-S799 PolarHBondContact O-N 2.82Å; P795-S799 PolarHBondContact O-OG 3.36Å; Y796-S799 WeakPolarHBondContact CA-OG 3.42Å; Y796-S799 PolarHBondContact O-OG 3.09Å; S799-S802 PolarHBondContact O-N 3.39Å; S799-F803 VanDerWaalsContact O-CB 3.28Å; S799-F803 WeakPolarHBondContact O-CB 3.39Å; S799-F803 PolarHBondContact O-N 3.15Å |
| 800 | G | 79.1 | Confident | 70.5 | Confident | 34 Ų | 34 | 103.7 Ų | 103.7 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y796 Q797 F803 L804 | Y796-G800 PolarHBondContact O-N 3.38Å; Q797-G800 PolarHBondContact O-N 3.15Å; G800-F803 PolarHBondContact O-N 3.36Å; G800-L804 WeakPolarHBondContact O-CB 3.48Å; G800-L804 PolarHBondContact O-N 3.29Å |
| 801 | L | 81.9 | Confident | 73.1 | Confident | 94 Ų | 94 | 100.7 Ų | 100.7 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 179 | -152 | 154.2 | 0 | 0 | 0 | 111.3 | L793 Q797 L804 L805 | L793-L801 HydrophobicContact CD2-CD1 4.14Å; Q797-L801 VanDerWaalsContact O-CB 3.27Å; Q797-L801 WeakPolarHBondContact O-CB 3.31Å; Q797-L801 PolarHBondContact O-N 3Å; L801-L804 PolarHBondContact O-N 2.64Å; L801-L805 HydrophobicContact CD2-CD1 3.73Å; L801-L805 HydrophobicContact CD2-CG 4.24Å; L801-L805 WeakPolarHBondContact O-CB 3.36Å; L801-L805 WeakPolarHBondContact O-CG 3.42Å; L801-L805 PolarHBondContact O-N 3.12Å |
| 802 | S | 77.1 | Confident | 75.6 | Confident | 77 Ų | 77 | 100.1 Ų | 100.1 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 170.8 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | L798 S799 L805 F806 | L798-S802 VanDerWaalsContact O-CB 3.23Å; L798-S802 WeakPolarHBondContact O-CB 3.37Å; L798-S802 PolarHBondContact O-N 3.06Å; S799-S802 PolarHBondContact O-N 3.39Å; S802-L805 PolarHBondContact O-N 3.48Å; S802-F806 WeakPolarHBondContact O-CB 3.36Å; S802-F806 PolarHBondContact O-N 3.25Å |
| 803 | F | 86.3 | Confident | 77.7 | Confident | 137 Ų | 137 | 97.7 Ų | 97.7 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -38.4 | 175.3 | -174.3 | -109.7 | 0 | 0 | 0 | 112.3 | S799 G800 F806 I807 | S799-F803 VanDerWaalsContact O-CB 3.28Å; S799-F803 WeakPolarHBondContact O-CB 3.39Å; S799-F803 PolarHBondContact O-N 3.15Å; G800-F803 PolarHBondContact O-N 3.36Å; F803-F806 WeakPolarHBondContact O-CB 3.46Å; F803-F806 PolarHBondContact O-N 3.3Å; F803-I807 HydrophobicContact CD1-CD1 3.79Å; F803-I807 HydrophobicContact CE1-CD1 3.48Å; F803-I807 VanDerWaalsContact CE1-CD1 3.48Å; F803-I807 HydrophobicContact CE1-CG1 4.39Å; F803-I807 HydrophobicContact CZ-CD1 4.01Å; F803-I807 WeakPolarHBondContact O-CG1 3.26Å; F803-I807 PolarHBondContact O-N 3.12Å |
| 804 | L | 84.2 | Confident | 79 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | 176.4 | -152 | 160.3 | 0 | 0 | 0 | 111 | G800 L801 F806 I807 V808 | G800-L804 WeakPolarHBondContact O-CB 3.48Å; G800-L804 PolarHBondContact O-N 3.29Å; L801-L804 PolarHBondContact O-N 2.64Å; L804-F806 VanDerWaalsContact C-N 3.34Å; L804-F806 PolarHBondContact O-N 2.94Å; L804-I807 PolarHBondContact O-N 2.81Å; L804-V808 HydrophobicContact CD2-CG2 4.17Å; L804-V808 WeakPolarHBondContact O-CG2 3.38Å; L804-V808 PolarHBondContact O-N 2.96Å |
| 805 | L | 87.8 | Confident | 80 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -38.6 | 170.1 | -77.4 | 169 | 0 | 0 | 0 | 112.3 | L801 S802 V808 F809 | L801-L805 HydrophobicContact CD2-CD1 3.73Å; L801-L805 HydrophobicContact CD2-CG 4.24Å; L801-L805 WeakPolarHBondContact O-CB 3.36Å; L801-L805 WeakPolarHBondContact O-CG 3.42Å; L801-L805 PolarHBondContact O-N 3.12Å; S802-L805 PolarHBondContact O-N 3.48Å; L805-V808 PolarHBondContact O-N 2.86Å; L805-F809 WeakPolarHBondContact O-CB 3.44Å; L805-F809 PolarHBondContact O-N 2.87Å |
| 806 | F | 87.2 | Confident | 80.6 | Confident | 126 Ų | 126 | 95 Ų | 95 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 174.3 | -178.4 | -99.1 | 0 | 0 | 0 | 111.7 | S802 F803 L804 F809 V810 | S802-F806 WeakPolarHBondContact O-CB 3.36Å; S802-F806 PolarHBondContact O-N 3.25Å; F803-F806 WeakPolarHBondContact O-CB 3.46Å; F803-F806 PolarHBondContact O-N 3.3Å; L804-F806 VanDerWaalsContact C-N 3.34Å; L804-F806 PolarHBondContact O-N 2.94Å; F806-F809 PolarHBondContact O-N 2.96Å; F806-V810 HydrophobicContact CD1-CG2 4.14Å; F806-V810 HydrophobicContact CE1-CG2 3.76Å; F806-V810 HydrophobicContact CE2-CG2 4.19Å; F806-V810 HydrophobicContact CZ-CG2 3.79Å; F806-V810 WeakPolarHBondContact O-CB 3.19Å; F806-V810 WeakPolarHBondContact O-CG2 3.46Å; F806-V810 PolarHBondContact O-N 2.02Å |
| 807 | I | 87.9 | Confident | 81.2 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 172.9 | -72.1 | 167.6 | 0 | 0 | 0 | 110.7 | F803 L804 F809 V810 L811 | F803-I807 HydrophobicContact CD1-CD1 3.79Å; F803-I807 HydrophobicContact CE1-CD1 3.48Å; F803-I807 VanDerWaalsContact CE1-CD1 3.48Å; F803-I807 HydrophobicContact CE1-CG1 4.39Å; F803-I807 HydrophobicContact CZ-CD1 4.01Å; F803-I807 WeakPolarHBondContact O-CG1 3.26Å; F803-I807 PolarHBondContact O-N 3.12Å; L804-I807 PolarHBondContact O-N 2.81Å; I807-F809 VanDerWaalsContact C-N 3.31Å; I807-F809 PolarHBondContact O-N 3.22Å; I807-V810 PolarHBondContact O-N 2.92Å; I807-L811 HydrophobicContact CG2-CD1 3.83Å; I807-L811 HydrophobicContact CG2-CG 4.32Å; I807-L811 WeakPolarHBondContact O-CB 2.93Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.42Å; I807-L811 PolarHBondContact O-N 3.29Å |
| 808 | V | 86.8 | Confident | 80.8 | Confident | 68 Ų | 68 | 94.3 Ų | 94.3 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L804 L805 L811 L812 | L804-V808 HydrophobicContact CD2-CG2 4.17Å; L804-V808 WeakPolarHBondContact O-CG2 3.38Å; L804-V808 PolarHBondContact O-N 2.96Å; L805-V808 PolarHBondContact O-N 2.86Å; V808-L811 PolarHBondContact O-N 2.03Å; V808-L812 HydrophobicContact CG1-CD1 4.04Å; V808-L812 WeakPolarHBondContact O-CB 3.36Å; V808-L812 WeakPolarHBondContact O-CG 3.34Å; V808-L812 PolarHBondContact O-N 3.45Å |
| 809 | F | 87.2 | Confident | 80.1 | Confident | 125 Ų | 125 | 96.4 Ų | 96.4 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 176.9 | -172.2 | -106.6 | 0 | 0 | 0 | 112.6 | L805 F806 I807 L812 L813 | L805-F809 WeakPolarHBondContact O-CB 3.44Å; L805-F809 PolarHBondContact O-N 2.87Å; F806-F809 PolarHBondContact O-N 2.96Å; I807-F809 VanDerWaalsContact C-N 3.31Å; I807-F809 PolarHBondContact O-N 3.22Å; F809-L812 CarbonylContact O-C 3.41Å; F809-L812 PolarHBondContact O-N 3.28Å; F809-L813 HydrophobicContact CD1-CD1 4.01Å; F809-L813 HydrophobicContact CE1-CD1 3.49Å; F809-L813 VanDerWaalsContact CE1-CD1 3.49Å; F809-L813 HydrophobicContact CZ-CD1 4.04Å; F809-L813 WeakPolarHBondContact O-CB 3.03Å; F809-L813 PolarHBondContact O-N 3.33Å |
| 810 | V | 87.7 | Confident | 79.1 | Confident | 52 Ų | 52 | 96 Ų | 96 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | F806 I807 L812 L813 L814 | F806-V810 HydrophobicContact CD1-CG2 4.14Å; F806-V810 HydrophobicContact CE1-CG2 3.76Å; F806-V810 HydrophobicContact CE2-CG2 4.19Å; F806-V810 HydrophobicContact CZ-CG2 3.79Å; F806-V810 WeakPolarHBondContact O-CB 3.19Å; F806-V810 WeakPolarHBondContact O-CG2 3.46Å; F806-V810 PolarHBondContact O-N 2.02Å; I807-V810 PolarHBondContact O-N 2.92Å; V810-L812 VanDerWaalsContact C-N 3.34Å; V810-L813 PolarHBondContact O-N 3.22Å; V810-L814 HydrophobicContact CG1-CD1 3.89Å; V810-L814 HydrophobicContact CG1-CG 4.35Å; V810-L814 WeakPolarHBondContact O-CB 3.25Å; V810-L814 VanDerWaalsContact O-CG 3.31Å; V810-L814 WeakPolarHBondContact O-CG 3.23Å; V810-L814 PolarHBondContact O-N 2.91Å |
| 811 | L | 85.4 | Confident | 77.7 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.2 | -35 | 172.6 | -72.3 | 172.4 | 0 | 0 | 0 | 112 | I807 V808 G815 | I807-L811 HydrophobicContact CG2-CD1 3.83Å; I807-L811 HydrophobicContact CG2-CG 4.32Å; I807-L811 WeakPolarHBondContact O-CB 2.93Å; I807-L811 VanDerWaalsContact O-CG 3.28Å; I807-L811 WeakPolarHBondContact O-CG 3.42Å; I807-L811 PolarHBondContact O-N 3.29Å; V808-L811 PolarHBondContact O-N 2.03Å; L811-G815 WeakPolarHBondContact O-CA 3.42Å; L811-G815 PolarHBondContact O-N 3.4Å |
| 812 | L | 84.8 | Confident | 75.7 | Confident | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70 | -36.4 | 170.6 | -77.7 | 164.6 | 0 | 0 | 0 | 112.2 | V808 F809 V810 G815 C816 | V808-L812 HydrophobicContact CG1-CD1 4.04Å; V808-L812 WeakPolarHBondContact O-CB 3.36Å; V808-L812 WeakPolarHBondContact O-CG 3.34Å; V808-L812 PolarHBondContact O-N 3.45Å; F809-L812 CarbonylContact O-C 3.41Å; F809-L812 PolarHBondContact O-N 3.28Å; V810-L812 VanDerWaalsContact C-N 3.34Å; L812-G815 CarbonylContact O-C 3.46Å; L812-G815 WeakPolarHBondContact O-CA 3.48Å; L812-G815 PolarHBondContact O-N 3.37Å; L812-C816 WeakPolarHBondContact O-CB 3.4Å; L812-C816 PolarHBondContact O-N 3.3Å; L812-C816 PolarHBondContact O-SG 2.62Å |
| 813 | L | 81.4 | Confident | 73.7 | Confident | 82 Ų | 82 | 110.8 Ų | 110.8 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.2 | -46.7 | 176.4 | -112.8 | 161.6 | 0 | 0 | 0 | 111.9 | F809 V810 G815 C816 I817 | F809-L813 HydrophobicContact CD1-CD1 4.01Å; F809-L813 HydrophobicContact CE1-CD1 3.49Å; F809-L813 VanDerWaalsContact CE1-CD1 3.49Å; F809-L813 HydrophobicContact CZ-CD1 4.04Å; F809-L813 WeakPolarHBondContact O-CB 3.03Å; F809-L813 PolarHBondContact O-N 3.33Å; V810-L813 PolarHBondContact O-N 3.22Å; L813-G815 PolarHBondContact O-N 3.17Å; L813-C816 PolarHBondContact O-N 3.15Å; L813-C816 VanDerWaalsContact O-N 3.12Å; L813-I817 HydrophobicContact CD2-CD1 4.38Å; L813-I817 VanDerWaalsContact O-CG1 3.28Å; L813-I817 WeakPolarHBondContact O-CG1 3.5Å; L813-I817 PolarHBondContact O-N 2.88Å |
| 814 | L | 80.9 | Confident | 71.3 | Confident | 93 Ų | 93 | 114.4 Ų | 114.4 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -36.3 | 169.1 | -71.3 | 169.3 | 0 | 0 | 0 | 110.7 | V810 I817 R818 | V810-L814 HydrophobicContact CG1-CD1 3.89Å; V810-L814 HydrophobicContact CG1-CG 4.35Å; V810-L814 WeakPolarHBondContact O-CB 3.25Å; V810-L814 VanDerWaalsContact O-CG 3.31Å; V810-L814 WeakPolarHBondContact O-CG 3.23Å; V810-L814 PolarHBondContact O-N 2.91Å; L814-I817 PolarHBondContact O-N 3.1Å; L814-R818 WeakPolarHBondContact O-CB 3.31Å; L814-R818 WeakPolarHBondContact O-CG 3.18Å; L814-R818 PolarHBondContact O-N 2.9Å |
| 815 | G | 78.1 | Confident | 68.7 | Low | 29 Ų | 29 | 118.6 Ų | 118.6 | 30% | 0.299 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -37.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L811 L812 L813 R818 L819 | L811-G815 WeakPolarHBondContact O-CA 3.42Å; L811-G815 PolarHBondContact O-N 3.4Å; L812-G815 CarbonylContact O-C 3.46Å; L812-G815 WeakPolarHBondContact O-CA 3.48Å; L812-G815 PolarHBondContact O-N 3.37Å; L813-G815 PolarHBondContact O-N 3.17Å; G815-R818 CarbonylContact O-C 3.53Å; G815-L819 VanDerWaalsContact O-CB 3.26Å; G815-L819 WeakPolarHBondContact O-CB 3.4Å; G815-L819 WeakPolarHBondContact O-CG 3.22Å; G815-L819 PolarHBondContact O-N 3.3Å |
| 816 | C | 76.7 | Confident | 65.9 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.6 | -36.8 | 175.1 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | L812 L813 L819 C820 | L812-C816 WeakPolarHBondContact O-CB 3.4Å; L812-C816 PolarHBondContact O-N 3.3Å; L812-C816 PolarHBondContact O-SG 2.62Å; L813-C816 PolarHBondContact O-N 3.15Å; L813-C816 VanDerWaalsContact O-N 3.12Å; C816-L819 CarbonylContact O-C 3.45Å; C816-L819 VanDerWaalsContact O-C 3.32Å; C816-L819 PolarHBondContact O-N 3.24Å; C816-C820 PolarHBondContact O-N 2.81Å |
| 817 | I | 76.7 | Confident | 63 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.1 | -32.8 | 174.1 | -63.5 | 162.1 | 0 | 0 | 0 | 110.6 | L813 L814 C820 | L813-I817 HydrophobicContact CD2-CD1 4.38Å; L813-I817 VanDerWaalsContact O-CG1 3.28Å; L813-I817 WeakPolarHBondContact O-CG1 3.5Å; L813-I817 PolarHBondContact O-N 2.88Å; L814-I817 PolarHBondContact O-N 3.1Å; I817-C820 WeakPolarHBondContact O-CA 3.25Å; I817-C820 PolarHBondContact O-N 3.49Å |
| 818 | R | 57.5 | Low | 60.3 | Low | 209 Ų | 209 | 118.6 Ų | 118.6 | 79% | 0.789 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.7 | -7.7 | 170.2 | -72.5 | -174 | 170.9 | -167.4 | -0.1 | 114.9 | L814 G815 C820 | L814-R818 WeakPolarHBondContact O-CB 3.31Å; L814-R818 WeakPolarHBondContact O-CG 3.18Å; L814-R818 PolarHBondContact O-N 2.9Å; G815-R818 CarbonylContact O-C 3.53Å; R818-C820 VanDerWaalsContact C-SG 3.59Å; R818-C820 WeakPolarHBondContact O-CB 3.43Å; R818-C820 PolarHBondContact O-N 3.01Å; R818-C820 PolarHBondContact O-SG 2.72Å |
| 819 | L | 54.9 | Low | 57.5 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 19 | 149.7 | -73.5 | 165.9 | 0 | 0 | 0 | 110.6 | G815 C816 | G815-L819 VanDerWaalsContact O-CB 3.26Å; G815-L819 WeakPolarHBondContact O-CB 3.4Å; G815-L819 WeakPolarHBondContact O-CG 3.22Å; G815-L819 PolarHBondContact O-N 3.3Å; C816-L819 CarbonylContact O-C 3.45Å; C816-L819 VanDerWaalsContact O-C 3.32Å; C816-L819 PolarHBondContact O-N 3.24Å |
| 820 | C | 51.1 | Low | 54.7 | Low | 56 Ų | 56 | 125.9 Ų | 125.9 | 38% | 0.378 | 66% | 0.66 | S | S | . | * | 63.3 | 121.4 | 121.8 | -99.6 | 0 | 0 | 0 | 0 | 113.4 | C816 I817 R818 C822 | C816-C820 PolarHBondContact O-N 2.81Å; I817-C820 WeakPolarHBondContact O-CA 3.25Å; I817-C820 PolarHBondContact O-N 3.49Å; R818-C820 VanDerWaalsContact C-SG 3.59Å; R818-C820 WeakPolarHBondContact O-CB 3.43Å; R818-C820 PolarHBondContact O-N 3.01Å; R818-C820 PolarHBondContact O-SG 2.72Å; C820-C822 CarbonylContact O-C 3.53Å; C820-C822 VanDerWaalsContact O-C 3.27Å; C820-C822 PolarHBondContact O-N 2.88Å | |||
| 821 | W | 50.8 | Low | 51.7 | Low | 205 Ų | 205 | 133.5 Ų | 133.5 | 78% | 0.777 | 68% | 0.683 | S | S | * | * | S | Bend | 51.4 | -11.1 | 65.4 | -70 | 32.2 | 0 | 0 | 0 | 115.5 | |||
| 822 | C | 38.4 | Very low | 48.8 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 86.6 | 142.5 | -60.2 | 0 | 0 | 0 | 0 | 106.8 | C820 | C820-C822 CarbonylContact O-C 3.53Å; C820-C822 VanDerWaalsContact O-C 3.27Å; C820-C822 PolarHBondContact O-N 2.88Å |
| 823 | K | 37.1 | Very low | 46 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | -149.5 | 117 | 55.4 | -77.2 | 165.9 | 176.6 | 173.2 | 0 | 111.5 | |||
| 824 | R | 34.9 | Very low | 43.4 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -65.9 | 160.9 | 164.8 | -106.7 | 172.2 | 169.6 | 171.3 | -4.4 | 111.1 | ||||
| 825 | K | 30.4 | Very low | 40.8 | Very low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -42.8 | 147.7 | -177.3 | -66.4 | 177.9 | 173.2 | -178.4 | 0 | 116.1 | ||||
| 826 | S | 28.6 | Very low | 38.3 | Very low | 110 Ų | 110 | 157.6 Ų | 157.6 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 42 | 130.4 | 136.2 | -169.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 827 | S | 26.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -3.4 | 122.3 | 142.6 | -170.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 828 | G | 31.4 | Very low | 33.5 | Very low | 73 Ų | 73 | 160.6 Ų | 160.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 178.8 | 103.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 829 | N | 26.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -44.2 | 137.2 | -178.6 | -67.3 | -44.9 | 0 | 0 | 0 | 116.4 | ||||
| 830 | M | 29 | Very low | 30.5 | Very low | 183 Ų | 183 | 157.2 Ų | 157.2 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | -175.5 | 160.4 | 106.1 | -102.5 | -167.7 | 73 | 0 | 0 | 116 | |||||
| 831 | R | 25.1 | Very low | 29.4 | Very low | 213 Ų | 213 | 164.3 Ų | 164.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 152.3 | -169.9 | -70.1 | 165.9 | 160.9 | 167.8 | -6.3 | 116.7 | ||||
| 832 | R | 24.3 | Very low | 28.1 | Very low | 220 Ų | 220 | 158.9 Ų | 158.9 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 54.3 | 117.4 | 139 | -73.2 | -179.8 | 169.2 | 171.5 | -4.4 | 120.5 | ||||
| 833 | N | 26.5 | Very low | 27.5 | Very low | 150 Ų | 150 | 160.7 Ų | 160.7 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | 176.8 | 134.7 | 100.9 | -94 | -26.2 | 0 | 0 | 0 | 116.5 | |||||
| 834 | K | 26.1 | Very low | 26.9 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 39.3 | 141.6 | 142.2 | -99.1 | 178.5 | 175.4 | 174.8 | 0 | 126.1 | ||||
| 835 | R | 26 | Very low | 26.5 | Very low | 204 Ų | 204 | 151.7 Ų | 151.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 70.3 | 130.9 | 154.4 | -73.4 | -176.4 | 163.8 | 163.1 | -5.2 | 117.3 | ||||
| 836 | E | 25.8 | Very low | 26 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | 98.3 | 120.8 | 38.1 | -86 | -169.9 | 137.4 | 0 | 0 | 114.2 | ||||
| 837 | S | 27.5 | Very low | 25.7 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 141.9 | 129.6 | 137.2 | 64.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 838 | N | 25.9 | Very low | 25.6 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 48.5 | 152 | 126.3 | -61 | -27.5 | 0 | 0 | 0 | 121.4 | |||||
| 839 | K | 26.8 | Very low | 25.1 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -170.1 | 156.3 | -9.8 | -112 | 177.9 | -177.4 | -178.4 | 0 | 109 | ||||
| 840 | V | 23.1 | Very low | 25 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | trans | 53 | 125.2 | 141.2 | 177.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 841 | F | 26.6 | Very low | 24.6 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | -162.1 | 147.3 | 113.9 | -102.1 | -69.4 | 0 | 0 | 0 | 111.3 | |||||
| 842 | A | 25 | Very low | 24.4 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -149 | 138.8 | 179 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 843 | V | 25.7 | Very low | 24.4 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -148 | 142.8 | 166.5 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 844 | S | 24.5 | Very low | 24 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -107.7 | 169.8 | 178 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 845 | P | 25.2 | Very low | 23.8 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 152 | 131.2 | 28.6 | -12.7 | 0 | 0 | 0 | 115.3 | ||||
| 846 | K | 19.5 | Very low | 23.6 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -132.7 | 170.7 | 168.2 | -90.2 | -173.9 | 173.3 | -178 | 0 | 108.2 | ||||
| 847 | I | 23.3 | Very low | 23.3 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 111.3 | 134.2 | -172.8 | -70.3 | 160.8 | 0 | 0 | 0 | 108.8 | ||||
| 848 | S | 23.5 | Very low | 23 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -155.2 | 157.1 | -12.2 | 42.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 849 | A | 20.9 | Very low | 22.9 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | cis | 76.1 | 72.4 | 31 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 850 | N | 24.3 | Very low | 22.6 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -176.4 | 150 | 153 | -90.5 | -23 | 0 | 0 | 0 | 107.5 | ||||
| 851 | G | 21.1 | Very low | 22.6 | Very low | 59 Ų | 59 | 148.7 Ų | 148.7 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | cis | 148.7 | 112.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 852 | I | 20.6 | Very low | 22.3 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 118.5 | 151.9 | -53.7 | 162.1 | 0 | 0 | 0 | 117.6 | ||||
| 853 | Y | 24.2 | Very low | 22.3 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | -165.2 | 130.7 | 107.8 | -106.4 | -71.7 | 0 | 0 | 0 | 112.8 | |||||
| 854 | S | 19.4 | Very low | 22.1 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -100.9 | 172.6 | 168.8 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 855 | R | 20.1 | Very low | 22.2 | Very low | 215 Ų | 215 | 153.3 Ų | 153.3 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 129.5 | 162.6 | 136.7 | -159.6 | 170.7 | -163.5 | 158.4 | 4.7 | 114.7 | ||||
| 856 | W | 22.8 | Very low | 22 | Very low | 232 Ų | 232 | 155.6 Ų | 155.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 79.8 | 102.7 | -176.2 | -61.7 | 70.5 | 0 | 0 | 0 | 113.5 | ||||
| 857 | S | 20.4 | Very low | 22.1 | Very low | 88 Ų | 88 | 154.1 Ų | 154.1 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | cis | 86.5 | 115.4 | 12.9 | 94.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 858 | S | 21 | Very low | 22.2 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 67.8 | 118.9 | 143.1 | 66.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 859 | K | 23.1 | Very low | 22.1 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | -175.8 | 109.7 | 123.7 | -98.3 | 160.9 | -177.7 | 176.7 | 0 | 107.8 | |||||
| 860 | Q | 20.3 | Very low | 22.1 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | 38.8 | 112.5 | 84.8 | -83.6 | -168.2 | -14.7 | 0 | 0 | 115 | |||||
| 861 | N | 23 | Very low | 22 | Very low | 174 Ų | 174 | 158.1 Ų | 158.1 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | -155.5 | 151.9 | 123.3 | -116.6 | -29.7 | 0 | 0 | 0 | 113.8 | |||||
| 862 | S | 21.3 | Very low | 22.5 | Very low | 94 Ų | 94 | 160 Ų | 160 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -109.3 | 146.2 | -177.9 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 863 | K | 24.9 | Very low | 22.7 | Very low | 202 Ų | 202 | 161.6 Ų | 161.6 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -177 | 109.6 | 155.3 | -98.1 | 154.8 | -172.1 | -173.9 | 0 | 106.8 | ||||
| 864 | K | 21.3 | Very low | 22.6 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | 51.3 | 97.5 | 70.7 | -79.3 | -169 | 174.6 | 179 | 0 | 114.7 | |||||
| 865 | N | 25.8 | Very low | 22.8 | Very low | 157 Ų | 157 | 164.5 Ų | 164.5 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -158.7 | 113 | 136.7 | -88.1 | -22.4 | 0 | 0 | 0 | 105.5 | ||||
| 866 | K | 22.3 | Very low | 22.9 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | 71.6 | 109.1 | 67.4 | -85 | -162.9 | 164.5 | -157.6 | 0 | 115.5 | |||||
| 867 | Q | 21.3 | Very low | 23.3 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 102.1 | 137.4 | -63.5 | 173.1 | -90.7 | 0 | 0 | 119.9 | ||||
| 868 | A | 24.5 | Very low | 23.4 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | -166.2 | 140.4 | 111.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 869 | G | 21.3 | Very low | 23.5 | Very low | 72 Ų | 72 | 155.9 Ų | 155.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | 120.2 | 33.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 870 | F | 21.4 | Very low | 23.8 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -127.7 | 111.5 | 173.5 | -85.3 | -82 | 0 | 0 | 0 | 113.2 | ||||
| 871 | R | 22.2 | Very low | 23.8 | Very low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -138.4 | 162.9 | 153.3 | -91.6 | -168.9 | 178.1 | -160.8 | 0.8 | 104.9 | ||||
| 872 | P | 30.9 | Very low | 24 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -124.1 | 173.2 | -26.1 | 37.9 | -24.6 | 0 | 0 | 0 | 110.9 | ||||
| 873 | L | 25.5 | Very low | 24.1 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -126.9 | 99.8 | 148.4 | -78.6 | 178.3 | 0 | 0 | 0 | 109 | ||||
| 874 | L | 21.8 | Very low | 24.1 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -62.9 | 130.9 | 154.2 | -73.4 | 154.2 | 0 | 0 | 0 | 107.4 | ||||
| 875 | R | 24.6 | Very low | 24.1 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -142.4 | 107.3 | 158 | -160 | 171.5 | -171.2 | 165.9 | 2.2 | 109.6 | ||||
| 876 | N | 22.3 | Very low | 24.1 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 137.6 | 165.4 | -63.6 | 0.3 | 0 | 0 | 0 | 109 | ||||
| 877 | S | 29.5 | Very low | 24.2 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -160.9 | 97.8 | 144.1 | 54.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 878 | D | 22.6 | Very low | 24.2 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | 64.2 | 70.7 | 77.7 | -62.5 | -31 | 0 | 0 | 0 | 113 | |||||
| 879 | G | 23.1 | Very low | 24.1 | Very low | 73 Ų | 73 | 155.3 Ų | 155.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 78.4 | 177.9 | 139 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 880 | P | 29.5 | Very low | 24.1 | Very low | 123 Ų | 123 | 159.1 Ų | 159.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -119.4 | 175.3 | -3.6 | 40.4 | -28.1 | 0 | 0 | 0 | 114.6 | ||||
| 881 | D | 21.7 | Very low | 24.1 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | trans | -45.6 | 142 | 175.9 | -52.7 | -77.4 | 0 | 0 | 0 | 116.1 | F883 | D881-F883 HydrophobicContact CB-CD2 4.39Š| ||
| 882 | Y | 26.3 | Very low | 24 | Very low | 234 Ų | 234 | 154.4 Ų | 154.4 | 92% | 0.918 | 80% | 0.797 | S | S | * | * | trans | -135.5 | 95.7 | 136.1 | -111.9 | -85.8 | 0 | 0 | 0 | 108.7 | ||||
| 883 | F | 22.6 | Very low | 23.6 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 125 | 164.3 | -87.2 | -95.9 | 0 | 0 | 0 | 109 | D881 | D881-F883 HydrophobicContact CB-CD2 4.39Š| ||
| 884 | A | 25.4 | Very low | 23.4 | Very low | 88 Ų | 88 | 156.5 Ų | 156.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -152.4 | 62.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q886 | A884-Q886 PolarHBondContact O-N 2.94Š| ||
| 885 | E | 21.7 | Very low | 23.6 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -64.9 | 111.2 | 151.4 | -68.9 | -177.8 | 157 | 0 | 0 | 105.7 | ||||
| 886 | Q | 26.1 | Very low | 23.5 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -129.3 | 128 | 166.1 | -156.9 | 161.9 | 8.2 | 0 | 0 | 108.5 | A884 | A884-Q886 PolarHBondContact O-N 2.94Š| ||
| 887 | E | 23.3 | Very low | 23.6 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -61.9 | 154.6 | -155.2 | -70.2 | 153.8 | 129.6 | 0 | 0 | 114.4 | E889 | E887-E889 PolarHBondContact O-N 2.55Š| ||
| 888 | L | 21.5 | Very low | 23.1 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -60.1 | 111.4 | 156.3 | -70.4 | 128.8 | 0 | 0 | 0 | 108.2 | ||||
| 889 | E | 22.5 | Very low | 23.2 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -112.4 | 134.9 | 158.6 | -74.8 | -165.6 | 142.3 | 0 | 0 | 109.7 | E887 | E887-E889 PolarHBondContact O-N 2.55Š| ||
| 890 | D | 21.3 | Very low | 23.2 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -70.2 | 131.2 | -176.2 | -62.2 | -64 | 0 | 0 | 0 | 111.2 | ||||
| 891 | Y | 22.6 | Very low | 23 | Very low | 234 Ų | 234 | 158.2 Ų | 158.2 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | trans | -104.7 | 99.2 | 159.5 | -100.8 | -85.4 | 0 | 0 | 0 | 109.1 | ||||
| 892 | V | 19.2 | Very low | 23.1 | Very low | 113 Ų | 113 | 162 Ų | 162 | 69% | 0.685 | 83% | 0.83 | S | S | * | * | trans | -124 | 159.9 | 167.9 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 893 | D | 22.9 | Very low | 22.9 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 75.7 | 104.1 | -170.5 | -50.9 | -27.4 | 0 | 0 | 0 | 112 | ||||
| 894 | E | 21.8 | Very low | 22.9 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | 64.7 | 99.8 | 75.3 | -70.4 | -163.7 | -178.8 | 0 | 0 | 112.7 | |||||
| 895 | D | 26 | Very low | 22.9 | Very low | 162 Ų | 162 | 157 Ų | 157 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -148.1 | 122.6 | 145.9 | -108.9 | -32.7 | 0 | 0 | 0 | 109.2 | V897 | D895-V897 PolarHBondContact O-N 3.37Š| ||
| 896 | E | 21.5 | Very low | 23 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -71.3 | 115 | 174.8 | -66.1 | -179.2 | 126.1 | 0 | 0 | 109.9 | ||||
| 897 | V | 23.6 | Very low | 23.1 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -113.7 | 97.4 | 165.6 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | D895 G899 | D895-V897 PolarHBondContact O-N 3.37Å; V897-G899 PolarHBondContact O-N 2.92Å | ||
| 898 | S | 20.4 | Very low | 23.2 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -63.1 | 118.1 | 164.2 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 899 | G | 24.8 | Very low | 23.5 | Very low | 63 Ų | 63 | 146 Ų | 146 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -154 | 96.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | V897 N901 | V897-G899 PolarHBondContact O-N 2.92Å; G899-N901 PolarHBondContact O-N 3.04Å | ||
| 900 | D | 21.7 | Very low | 23.8 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -58.4 | 123.6 | 174.7 | -61 | -55.7 | 0 | 0 | 0 | 110.5 | ||||
| 901 | N | 26.4 | Very low | 24.4 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -146.1 | 121.8 | 158.4 | -96.8 | -46 | 0 | 0 | 0 | 109.2 | G899 G903 | G899-N901 PolarHBondContact O-N 3.04Å; N901-G903 VanDerWaalsContact C-N 3.3Å; N901-G903 PolarHBondContact O-N 2.81Å | ||
| 902 | E | 23.3 | Very low | 25.1 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 94% | 0.935 | 71% | 0.714 | S | S | * | * | trans | -71.3 | 79.5 | -177.3 | -63.3 | 178.6 | 134.8 | 0 | 0 | 111.3 | N904 | E902-N904 PolarHBondContact O-N 3.45Š| ||
| 903 | G | 23.1 | Very low | 25.8 | Very low | 57 Ų | 57 | 125.4 Ų | 125.4 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | trans | -85 | 90.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N901 H905 | N901-G903 VanDerWaalsContact C-N 3.3Å; N901-G903 PolarHBondContact O-N 2.81Å; G903-H905 VanDerWaalsContact C-N 3.33Å; G903-H905 PolarHBondContact O-N 2.94Å | ||
| 904 | N | 22.8 | Very low | 26.4 | Very low | 159 Ų | 159 | 120 Ų | 120 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -63.4 | 90 | 167.7 | -89.2 | -28.4 | 0 | 0 | 0 | 110.5 | E902 | E902-N904 PolarHBondContact O-N 3.45Š| ||
| 905 | H | 25.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 111.4 Ų | 111.4 | 78% | 0.782 | 62% | 0.624 | S | S | * | * | trans | -114.6 | 114.4 | 168.7 | -79.6 | -71.4 | 0 | 0 | 0 | 110.7 | G903 S907 | G903-H905 VanDerWaalsContact C-N 3.33Å; G903-H905 PolarHBondContact O-N 2.94Å; H905-S907 PolarHBondContact O-N 3.06Å; H905-S907 VanDerWaalsContact O-N 3.13Å | ||
| 906 | N | 24.2 | Very low | 27.4 | Very low | 157 Ų | 157 | 108.1 Ų | 108.1 | 84% | 0.84 | 60% | 0.6 | S | S | * | * | trans | -64 | 106.6 | 178.5 | -61.8 | -41 | 0 | 0 | 0 | 110.2 | ||||
| 907 | S | 27.6 | Very low | 28 | Very low | 86 Ų | 86 | 100 Ų | 100 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | trans | -117.2 | 6.1 | 173.2 | 58 | 0 | 0 | 0 | 0 | 113.7 | H905 | H905-S907 PolarHBondContact O-N 3.06Å; H905-S907 VanDerWaalsContact O-N 3.13Å | ||
| 908 | D | 25.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 95.9 Ų | 95.9 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -88.2 | 2.8 | -177.6 | -81.4 | -16.5 | 0 | 0 | 0 | 113.7 | ||
| 909 | E | 27.4 | Very low | 29.4 | Very low | 126 Ų | 126 | 95.7 Ų | 95.7 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -109.2 | -6.5 | -176 | -69.8 | -141.7 | 144.4 | 0 | 0 | 115.7 | V911 L912 | E909-V911 VanDerWaalsContact C-N 3.34Å; E909-V911 PolarHBondContact O-N 2.79Å; E909-L912 HydrophobicContact CB-CD1 3.65Å; E909-L912 HydrophobicContact CB-CG 4.43Å; E909-L912 HydrophobicContact CG-CD1 3.79Å; E909-L912 WeakPolarHBondContact O-CB 3.45Å; E909-L912 VanDerWaalsContact O-CD1 3.32Å; E909-L912 WeakPolarHBondContact O-CD1 3.47Å; E909-L912 WeakPolarHBondContact O-CG 3.11Å |
| 910 | D | 28.4 | Very low | 30 | Very low | 72 Ų | 72 | 95 Ų | 95 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 5.6 | -169 | -59.2 | -44.9 | 0 | 0 | 0 | 115.4 | K601 | K601-D910 IonicContact NZ-OD1 2.78Å; K601-D910 PolarHBondContact NZ-OD1 2.91Å |
| 911 | V | 34.4 | Very low | 30.9 | Very low | 65 Ų | 65 | 88.3 Ų | 88.3 | 39% | 0.394 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 27.3 | 176.3 | -163 | 0 | 0 | 0 | 0 | 111.4 | Y398 E909 M913 | Y398-V911 HydrophobicContact CD2-CB 4.19Å; Y398-V911 HydrophobicContact CD2-CG1 4.38Å; Y398-V911 HydrophobicContact CE2-CB 4.33Å; E909-V911 VanDerWaalsContact C-N 3.34Å; E909-V911 PolarHBondContact O-N 2.79Å; V911-M913 PolarHBondContact O-N 2.74Å |
| 912 | L | 36.5 | Very low | 31.5 | Very low | 55 Ų | 55 | 86 Ų | 86 | 29% | 0.288 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.5 | -150.6 | -106 | -178.9 | 0 | 0 | 0 | 119.5 | E909 Y916 | E909-L912 HydrophobicContact CB-CD1 3.65Å; E909-L912 HydrophobicContact CB-CG 4.43Å; E909-L912 HydrophobicContact CG-CD1 3.79Å; E909-L912 WeakPolarHBondContact O-CB 3.45Å; E909-L912 VanDerWaalsContact O-CD1 3.32Å; E909-L912 WeakPolarHBondContact O-CD1 3.47Å; E909-L912 WeakPolarHBondContact O-CG 3.11Å; L912-Y916 HydrophobicContact CD2-CD2 3.92Å; L912-Y916 WeakPolarHBondContact O-CB 2.93Å |
| 913 | M | 34.3 | Very low | 32.2 | Very low | 47 Ų | 47 | 82 Ų | 82 | 23% | 0.232 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -37.7 | -174.2 | -76.3 | -62.6 | -83.6 | 0 | 0 | 118.1 | V911 A915 Y916 A917 | V911-M913 PolarHBondContact O-N 2.74Å; M913-A915 PolarHBondContact O-N 3.08Å; M913-A915 VanDerWaalsContact O-N 3.15Å; M913-Y916 PolarHBondContact O-N 3.11Å; M913-Y916 HydrophobicContact SD-CD1 4.24Å; M913-Y916 HydrophobicContact SD-CG 4.4Å; M913-A917 WeakPolarHBondContact O-CB 3.21Å; M913-A917 PolarHBondContact O-N 2.93Å; M913-A917 VanDerWaalsContact O-N 3.08Å |
| 914 | D | 36.3 | Very low | 33 | Very low | 23 Ų | 23 | 84.2 Ų | 84.2 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.6 | -35 | 171.4 | -80.8 | 47.8 | 0 | 0 | 0 | 110.6 | R624 | R624-D914 IonicContact CZ-OD1 2.74Å; R624-D914 VanDerWaalsContact CZ-OD1 3.29Å; R624-D914 IonicContact NH1-OD1 3.8Å; R624-D914 PolarHBondContact NH1-OD1 2.79Å; R624-D914 IonicContact NH2-OD1 2.73Å; R624-D914 PolarHBondContact NH2-OD1 2.78Å |
| 915 | A | 35.2 | Very low | 33.8 | Very low | 4 Ų | 4 | 80.1 Ų | 80.1 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -98.4 | -14.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y398 M913 R919 | Y398-A915 VanDerWaalsContact CA-CB 3.47Å; Y398-A915 VanDerWaalsContact CB-CB 3.42Å; Y398-A915 HydrophobicContact CD2-CB 4.46Å; Y398-A915 HydrophobicContact CG-CB 4.46Å; M913-A915 PolarHBondContact O-N 3.08Å; M913-A915 VanDerWaalsContact O-N 3.15Å; A915-R919 WeakPolarHBondContact O-CG 3.44Å; A915-R919 PolarHBondContact O-N 2.76Å |
| 916 | Y | 33.1 | Very low | 34.4 | Very low | 92 Ų | 92 | 76.5 Ų | 76.5 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84.1 | -30.7 | 174.7 | -164.5 | -84 | 0 | 0 | 0 | 111 | L912 M913 D918 R919 Q920 | L912-Y916 HydrophobicContact CD2-CD2 3.92Å; L912-Y916 WeakPolarHBondContact O-CB 2.93Å; M913-Y916 PolarHBondContact O-N 3.11Å; M913-Y916 HydrophobicContact SD-CD1 4.24Å; M913-Y916 HydrophobicContact SD-CG 4.4Å; Y916-D918 VanDerWaalsContact C-N 3.3Å; Y916-D918 PolarHBondContact O-N 3.38Å; Y916-R919 PolarHBondContact O-N 2.79Å; Y916-Q920 HydrophobicContact CD1-CG 3.67Å; Y916-Q920 HydrophobicContact CE1-CG 3.53Å; Y916-Q920 VanDerWaalsContact CE1-NE2 3.29Å; Y916-Q920 HydrophobicContact CG-CG 4.5Å; Y916-Q920 WeakPolarHBondContact O-CB 3.43Å; Y916-Q920 VanDerWaalsContact O-CG 3.31Å; Y916-Q920 WeakPolarHBondContact O-CG 3.45Å; Y916-Q920 PolarHBondContact O-N 2.8Å; Y916-Q920 PolarHBondContact OH-NE2 2.78Å; Y916-Q920 VanDerWaalsContact OH-NE2 3.13Å |
| 917 | A | 34.9 | Very low | 35.2 | Very low | 26 Ų | 26 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -49.5 | -53.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | M913 Q920 L921 | M913-A917 WeakPolarHBondContact O-CB 3.21Å; M913-A917 PolarHBondContact O-N 2.93Å; M913-A917 VanDerWaalsContact O-N 3.08Å; A917-Q920 PolarHBondContact O-N 2.85Å; A917-L921 VanDerWaalsContact O-CB 3.32Å; A917-L921 WeakPolarHBondContact O-CB 3.31Å; A917-L921 WeakPolarHBondContact O-CD1 3.29Å; A917-L921 VanDerWaalsContact O-CG 3.23Å; A917-L921 WeakPolarHBondContact O-CG 3.49Å; A917-L921 PolarHBondContact O-N 3.15Å |
| 918 | D | 35.4 | Very low | 35.6 | Very low | 48 Ų | 48 | 73.7 Ų | 73.7 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177 | -83.4 | -8.9 | 0 | 0 | 0 | 113.8 | Y916 Q920 L921 L922 | Y916-D918 VanDerWaalsContact C-N 3.3Å; Y916-D918 PolarHBondContact O-N 3.38Å; D918-Q920 VanDerWaalsContact C-N 3.31Å; D918-Q920 PolarHBondContact O-N 3.1Å; D918-L921 PolarHBondContact O-N 2.63Å; D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3.17Å |
| 919 | R | 36.5 | Very low | 36 | Very low | 119 Ų | 119 | 72.2 Ų | 72.2 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 178.9 | -76.7 | -175.5 | -170.3 | -168 | 7.8 | 112.2 | A915 Y916 K923 | A915-R919 WeakPolarHBondContact O-CG 3.44Å; A915-R919 PolarHBondContact O-N 2.76Å; Y916-R919 PolarHBondContact O-N 2.79Å; R919-K923 WeakPolarHBondContact O-CG 3.06Å; R919-K923 PolarHBondContact O-N 2.01Å; R919-K923 VanDerWaalsContact O-N 3.11Å |
| 920 | Q | 37.4 | Very low | 36.3 | Very low | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79.4 | -34.7 | 179 | -61.9 | -65.7 | -4.3 | 0 | 0 | 112 | Y916 A917 D918 L922 K923 Q924 | Y916-Q920 HydrophobicContact CD1-CG 3.67Å; Y916-Q920 HydrophobicContact CE1-CG 3.53Å; Y916-Q920 VanDerWaalsContact CE1-NE2 3.29Å; Y916-Q920 HydrophobicContact CG-CG 4.5Å; Y916-Q920 WeakPolarHBondContact O-CB 3.43Å; Y916-Q920 VanDerWaalsContact O-CG 3.31Å; Y916-Q920 WeakPolarHBondContact O-CG 3.45Å; Y916-Q920 PolarHBondContact O-N 2.8Å; Y916-Q920 PolarHBondContact OH-NE2 2.78Å; Y916-Q920 VanDerWaalsContact OH-NE2 3.13Å; A917-Q920 PolarHBondContact O-N 2.85Å; D918-Q920 VanDerWaalsContact C-N 3.31Å; D918-Q920 PolarHBondContact O-N 3.1Å; Q920-L922 VanDerWaalsContact C-N 3.35Å; Q920-K923 PolarHBondContact O-N 2.86Å; Q920-K923 VanDerWaalsContact OE1-CD 3.27Å; Q920-Q924 PolarHBondContact O-N 2.66Å |
| 921 | L | 40.4 | Very low | 36.4 | Very low | 26 Ų | 26 | 74.5 Ų | 74.5 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 168.9 | -75.9 | 165.1 | 0 | 0 | 0 | 111.8 | Y752 A917 D918 Q924 N925 | Y752-L921 HydrophobicContact CD1-CD1 3.44Å; Y752-L921 VanDerWaalsContact CD1-CD1 3.44Å; Y752-L921 HydrophobicContact CD1-CD2 4.5Å; Y752-L921 HydrophobicContact CE1-CD1 3.61Å; Y752-L921 HydrophobicContact CE1-CD2 4.03Å; Y752-L921 HydrophobicContact CE1-CG 4.44Å; Y752-L921 HydrophobicContact CG-CD1 4.26Å; A917-L921 VanDerWaalsContact O-CB 3.32Å; A917-L921 WeakPolarHBondContact O-CB 3.31Å; A917-L921 WeakPolarHBondContact O-CD1 3.29Å; A917-L921 VanDerWaalsContact O-CG 3.23Å; A917-L921 WeakPolarHBondContact O-CG 3.49Å; A917-L921 PolarHBondContact O-N 3.15Å; D918-L921 PolarHBondContact O-N 2.63Å; L921-Q924 PolarHBondContact O-N 3.32Å; L921-N925 WeakPolarHBondContact O-CB 3.09Å; L921-N925 PolarHBondContact O-N 3.43Å |
| 922 | L | 39.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 78.7 Ų | 78.7 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 175.1 | -154.1 | 89.4 | 0 | 0 | 0 | 111.5 | D918 Q920 N926 | D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3.17Å; Q920-L922 VanDerWaalsContact C-N 3.35Å; L922-N926 WeakPolarHBondContact O-CB 3.23Å; L922-N926 VanDerWaalsContact O-CG 3.26Å; L922-N926 PolarHBondContact O-N 3.11Å; L922-N926 PolarHBondContact O-ND2 2.82Å; L922-N926 VanDerWaalsContact O-ND2 3.13Å |
| 923 | K | 38.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 84.6 Ų | 84.6 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 171.1 | -78.4 | 171.8 | 177.1 | 176.3 | 0 | 111.5 | R919 Q920 N926 I927 | R919-K923 WeakPolarHBondContact O-CG 3.06Å; R919-K923 PolarHBondContact O-N 2.01Å; R919-K923 VanDerWaalsContact O-N 3.11Å; Q920-K923 PolarHBondContact O-N 2.86Å; Q920-K923 VanDerWaalsContact OE1-CD 3.27Å; K923-N926 PolarHBondContact O-N 3Å; K923-I927 WeakPolarHBondContact O-CB 3.32Å; K923-I927 WeakPolarHBondContact O-CD1 3.43Å; K923-I927 VanDerWaalsContact O-CG1 3.24Å; K923-I927 WeakPolarHBondContact O-CG1 3.45Å; K923-I927 PolarHBondContact O-N 2.98Å |
| 924 | Q | 39.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 90.8 Ų | 90.8 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.4 | -89.2 | -169.4 | -12.3 | 0 | 0 | 112.4 | Q920 L921 N926 I927 L928 | Q920-Q924 PolarHBondContact O-N 2.66Å; L921-Q924 PolarHBondContact O-N 3.32Å; Q924-N926 VanDerWaalsContact C-N 3.32Å; Q924-N926 PolarHBondContact O-N 3.18Å; Q924-I927 CarbonylContact O-C 3.09Å; Q924-I927 PolarHBondContact O-N 2.82Å; Q924-I927 VanDerWaalsContact O-N 3.14Å; Q924-L928 WeakPolarHBondContact O-CB 3.33Å; Q924-L928 PolarHBondContact O-N 3.15Å |
| 925 | N | 40.4 | Very low | 35 | Very low | 72 Ų | 72 | 96.6 Ų | 96.6 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 176 | -78.8 | -21.7 | 0 | 0 | 0 | 111.5 | L921 L928 N929 | L921-N925 WeakPolarHBondContact O-CB 3.09Å; L921-N925 PolarHBondContact O-N 3.43Å; N925-L928 PolarHBondContact O-N 3.2Å; N925-N929 WeakPolarHBondContact O-CB 3.4Å; N925-N929 PolarHBondContact O-N 3.38Å; N925-N929 PolarHBondContact O-ND2 3.34Å |
| 926 | N | 37.5 | Very low | 34.5 | Very low | 94 Ų | 94 | 101.9 Ų | 101.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -31.6 | 173 | -74.3 | -32.4 | 0 | 0 | 0 | 113.2 | L922 K923 Q924 S930 | L922-N926 WeakPolarHBondContact O-CB 3.23Å; L922-N926 VanDerWaalsContact O-CG 3.26Å; L922-N926 PolarHBondContact O-N 3.11Å; L922-N926 PolarHBondContact O-ND2 2.82Å; L922-N926 VanDerWaalsContact O-ND2 3.13Å; K923-N926 PolarHBondContact O-N 3Å; Q924-N926 VanDerWaalsContact C-N 3.32Å; Q924-N926 PolarHBondContact O-N 3.18Å; N926-S930 VanDerWaalsContact O-CB 3.24Å; N926-S930 WeakPolarHBondContact O-CB 3.47Å; N926-S930 PolarHBondContact O-N 3.44Å; N926-S930 PolarHBondContact O-OG 2.99Å |
| 927 | I | 40.7 | Very low | 34.1 | Very low | 89 Ų | 89 | 107.1 Ų | 107.1 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.2 | -41 | 174 | -68.8 | 162.8 | 0 | 0 | 0 | 111 | K923 Q924 S930 R931 | K923-I927 WeakPolarHBondContact O-CB 3.32Å; K923-I927 WeakPolarHBondContact O-CD1 3.43Å; K923-I927 VanDerWaalsContact O-CG1 3.24Å; K923-I927 WeakPolarHBondContact O-CG1 3.45Å; K923-I927 PolarHBondContact O-N 2.98Å; Q924-I927 CarbonylContact O-C 3.09Å; Q924-I927 PolarHBondContact O-N 2.82Å; Q924-I927 VanDerWaalsContact O-N 3.14Å; I927-S930 WeakPolarHBondContact CA-OG 3.44Å; I927-S930 PolarHBondContact O-N 3.01Å; I927-S930 PolarHBondContact O-OG 2.6Å; I927-R931 WeakPolarHBondContact O-CB 3.28Å; I927-R931 WeakPolarHBondContact O-CG 3.5Å; I927-R931 PolarHBondContact O-N 2.95Å |
| 928 | L | 36.6 | Very low | 33.7 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 175.1 | -78.8 | 159.3 | 0 | 0 | 0 | 111.4 | Q924 N925 S930 R931 Q932 | Q924-L928 WeakPolarHBondContact O-CB 3.33Å; Q924-L928 PolarHBondContact O-N 3.15Å; N925-L928 PolarHBondContact O-N 3.2Å; L928-S930 PolarHBondContact O-N 3.03Å; L928-R931 PolarHBondContact O-N 2.84Å; L928-Q932 WeakPolarHBondContact O-CG 3.31Å; L928-Q932 PolarHBondContact O-N 2.84Å |
| 929 | N | 33.6 | Very low | 33.2 | Very low | 82 Ų | 82 | 120 Ų | 120 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.6 | -30.6 | 176.1 | -69.9 | -21.9 | 0 | 0 | 0 | 112.9 | N925 K933 | N925-N929 WeakPolarHBondContact O-CB 3.4Å; N925-N929 PolarHBondContact O-N 3.38Å; N925-N929 PolarHBondContact O-ND2 3.34Å; N929-K933 PolarHBondContact O-N 3.47Å |
| 930 | S | 33.2 | Very low | 32.7 | Very low | 58 Ų | 58 | 118 Ų | 118 | 41% | 0.406 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75 | -37.3 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 112 | N926 I927 L928 Q932 K933 F934 | N926-S930 VanDerWaalsContact O-CB 3.24Å; N926-S930 WeakPolarHBondContact O-CB 3.47Å; N926-S930 PolarHBondContact O-N 3.44Å; N926-S930 PolarHBondContact O-OG 2.99Å; I927-S930 WeakPolarHBondContact CA-OG 3.44Å; I927-S930 PolarHBondContact O-N 3.01Å; I927-S930 PolarHBondContact O-OG 2.6Å; L928-S930 PolarHBondContact O-N 3.03Å; S930-Q932 VanDerWaalsContact C-N 3.35Å; S930-Q932 PolarHBondContact O-N 3Å; S930-K933 PolarHBondContact O-N 2.95Å; S930-K933 VanDerWaalsContact O-N 3.1Å; S930-F934 WeakPolarHBondContact O-CD2 3.24Å |
| 931 | R | 31.5 | Very low | 32 | Very low | 189 Ų | 189 | 121.4 Ų | 121.4 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 169.6 | -76.6 | -179.6 | 178.6 | -167.8 | 1 | 112.3 | I927 L928 K933 F934 | I927-R931 WeakPolarHBondContact O-CB 3.28Å; I927-R931 WeakPolarHBondContact O-CG 3.5Å; I927-R931 PolarHBondContact O-N 2.95Å; L928-R931 PolarHBondContact O-N 2.84Å; R931-K933 PolarHBondContact O-N 2.78Å; R931-F934 PolarHBondContact O-N 2.93Å |
| 932 | Q | 31.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.2 | -16.9 | 174 | -74.6 | -174.9 | -1.8 | 0 | 0 | 114.2 | L928 S930 | L928-Q932 WeakPolarHBondContact O-CG 3.31Å; L928-Q932 PolarHBondContact O-N 2.84Å; S930-Q932 VanDerWaalsContact C-N 3.35Å; S930-Q932 PolarHBondContact O-N 3Å |
| 933 | K | 28.7 | Very low | 30.5 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 78% | 0.778 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 2.5 | 177 | -80.3 | -178.8 | 177.2 | 174.7 | 0 | 114.9 | N929 S930 R931 I935 | N929-K933 PolarHBondContact O-N 3.47Å; S930-K933 PolarHBondContact O-N 2.95Å; S930-K933 VanDerWaalsContact O-N 3.1Å; R931-K933 PolarHBondContact O-N 2.78Å; K933-I935 PolarHBondContact O-N 3Å |
| 934 | F | 24.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 77% | 0.772 | 68% | 0.675 | S | S | * | * | trans | -77.5 | 64.6 | 170.5 | -87.2 | -83.8 | 0 | 0 | 0 | 112.7 | S930 R931 P936 | S930-F934 WeakPolarHBondContact O-CD2 3.24Å; R931-F934 PolarHBondContact O-N 2.93Å; F934-P936 WeakPolarHBondContact O-CD 3.04Å | ||
| 935 | I | 27.6 | Very low | 29 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -82.1 | 114.8 | 156.7 | -59.9 | 176.8 | 0 | 0 | 0 | 106.6 | K933 K937 | K933-I935 PolarHBondContact O-N 3Å; I935-K937 PolarHBondContact O-N 2.85Å | ||
| 936 | P | 24.3 | Very low | 28 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | -70.3 | 106 | -169.9 | 26.8 | -34.2 | 0 | 0 | 0 | 111.6 | F934 V938 | F934-P936 WeakPolarHBondContact O-CD 3.04Å; P936-V938 PolarHBondContact O-N 3.21Å | ||
| 937 | K | 25.3 | Very low | 27.4 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -75.2 | 119.5 | 167.4 | -77.9 | -173.3 | 175.1 | -179.6 | 0 | 109.9 | I935 | I935-K937 PolarHBondContact O-N 2.85Š| ||
| 938 | V | 27.2 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -56.9 | 134.9 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | P936 G940 | P936-V938 PolarHBondContact O-N 3.21Å; V938-G940 PolarHBondContact O-N 3.08Å; V938-G940 VanDerWaalsContact O-N 3.11Å | ||
| 939 | K | 23.4 | Very low | 26.1 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 103.9 | -178.4 | -72.5 | 178.3 | 174.8 | 176.9 | 0 | 111.5 | ||||
| 940 | G | 27.6 | Very low | 25.8 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -82.7 | 133.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V938 | V938-G940 PolarHBondContact O-N 3.08Å; V938-G940 VanDerWaalsContact O-N 3.11Å | ||
| 941 | T | 21.6 | Very low | 25.5 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -90.5 | 158.6 | -172.3 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 942 | N | 24.3 | Very low | 25.4 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 101.3 | 121.8 | 152.9 | -63.1 | -19.8 | 0 | 0 | 0 | 121.7 | ||||
| 943 | S | 24.7 | Very low | 25.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 68.4 | 105.5 | 135.7 | 60.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 944 | K | 20.1 | Very low | 25.2 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | 46.6 | 153.1 | 115.6 | -70.2 | -173.3 | 175.3 | -177.1 | 0 | 121.4 | |||||
| 945 | I | 25.3 | Very low | 25.5 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 103.9 | 107.2 | 174.5 | -60.8 | 160.2 | 0 | 0 | 0 | 109.9 | ||||
| 946 | S | 20.5 | Very low | 25.7 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | 91.6 | 112.9 | 34.1 | 85.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 947 | H | 23.8 | Very low | 25.6 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 73.2 | 137.9 | 157.4 | -68.4 | -71.7 | 0 | 0 | 0 | 123 | ||||
| 948 | S | 25.5 | Very low | 25.7 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 95.9 | 136.6 | 141.7 | 75.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 949 | N | 24.4 | Very low | 25.6 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -75.8 | 134.3 | -176.2 | -61.3 | -37.9 | 0 | 0 | 0 | 111.2 | ||||
| 950 | S | 27.8 | Very low | 25.8 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -154.9 | 136.7 | 157.1 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | S952 | S950-S952 PolarHBondContact O-N 2.64Š| ||
| 951 | L | 26 | Very low | 25.7 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -48.4 | 98.2 | 178.8 | -75.5 | 126.3 | 0 | 0 | 0 | 114.7 | ||||
| 952 | S | 30.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -110.6 | 2.8 | 164.8 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | S950 R954 | S950-S952 PolarHBondContact O-N 2.64Å; S952-R954 PolarHBondContact O-N 2.97Å | ||
| 953 | S | 28.8 | Very low | 26.1 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 20.8 | 177.9 | 56 | 0 | 0 | 0 | 0 | 115.6 | ||
| 954 | R | 27.6 | Very low | 26.2 | Very low | 227 Ų | 227 | 155.4 Ų | 155.4 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 7.2 | -179.5 | -74.9 | -162.7 | -178.9 | -158.6 | 2.3 | 117 | S952 | S952-R954 PolarHBondContact O-N 2.97Š|
| 955 | L | 30.3 | Very low | 27 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -122.6 | 10 | -178.8 | -97.6 | 164.2 | 0 | 0 | 0 | 117 | ||
| 956 | L | 30.3 | Very low | 27 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -121.9 | 52 | 170.5 | -87.9 | 155.8 | 0 | 0 | 0 | 112.5 | ||||
| 957 | R | 24 | Very low | 27.4 | Very low | 232 Ų | 232 | 151.7 Ų | 151.7 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -119.6 | 90.6 | 151.3 | -81.1 | -172 | -179.9 | 178.4 | 0.7 | 108.2 | ||||
| 958 | L | 25.9 | Very low | 28.2 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 165.1 | 135.1 | 153.9 | -93.1 | 154.3 | 0 | 0 | 0 | 109.5 | ||
| 959 | K | 26.4 | Very low | 28.6 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 85% | 0.853 | S | S | * | * | S | Bend | trans | 67.9 | 110.6 | -169.9 | -49.5 | 173.7 | -178.7 | 178 | 0 | 111.9 | ||
| 960 | T | 27.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | cis | -135.5 | 130.6 | 21.7 | 41.2 | 0 | 0 | 0 | 0 | 111.9 | I962 | T960-I962 PolarHBondContact O-N 3.33Š| ||
| 961 | G | 25.2 | Very low | 28.8 | Very low | 84 Ų | 84 | 154.5 Ų | 154.5 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | trans | -85.7 | 99.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 962 | I | 29.1 | Very low | 29 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 75% | 0.754 | 86% | 0.859 | S | S | * | * | trans | -137.2 | 112.8 | 159.9 | -60.2 | -176.7 | 0 | 0 | 0 | 107 | T960 | T960-I962 PolarHBondContact O-N 3.33Š| ||
| 963 | N | 25.6 | Very low | 28.9 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | trans | -88.2 | 132.5 | 173.5 | -78.8 | -29.7 | 0 | 0 | 0 | 109.5 | ||||
| 964 | K | 25.5 | Very low | 28.9 | Very low | 193 Ų | 193 | 160.9 Ų | 160.9 | 84% | 0.839 | 88% | 0.875 | S | S | * | * | trans | 65.5 | 160.8 | 174.6 | -64.7 | -172.3 | 176.4 | -170.1 | 0 | 113.2 | ||||
| 965 | P | 36.2 | Very low | 29 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 68% | 0.682 | 88% | 0.876 | S | S | * | * | cis | -135.5 | -170.4 | 21 | 44.6 | -26.6 | 0 | 0 | 0 | 116.4 | ||||
| 966 | D | 26 | Very low | 28.9 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 83% | 0.829 | 88% | 0.876 | S | S | * | * | trans | -27.4 | 132.2 | 166.3 | -45 | -55.4 | 0 | 0 | 0 | 116.3 | ||||
| 967 | S | 30.2 | Very low | 28.8 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 88% | 0.875 | S | S | * | * | trans | -174.6 | 80.4 | 149.3 | 36.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 968 | V | 39.3 | Very low | 29.2 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 92% | 0.915 | 88% | 0.875 | S | S | * | * | trans | -137.1 | 110.3 | 136.2 | -173.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 969 | A | 33.8 | Very low | 29.5 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 100% | 1.421 | 88% | 0.877 | S | S | * | * | trans | -96.6 | 0 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 969 of 969 residues in 1005.4 ms
(Link to these results)