| 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 | 61.4 | Low | 72.3 | Confident | 133 Ų | 133 | 92.5 Ų | 92.5 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | 0 | 143.3 | 0 | 82.8 | -175.3 | 103.6 | 0 | 0 | 107.4 | K14 R15 Y16 F23 | M1-K14 WeakPolarHBondContact SD-CE 3.46Å; M1-R15 CarbonylContact C-O 3.54Å; M1-R15 VanDerWaalsContact CA-O 3.31Å; M1-R15 WeakPolarHBondContact CA-O 3.36Å; M1-Y16 HydrophobicContact CB-CD1 4.37Å; M1-F23 VanDerWaalsContact O-CD1 3.32Å; M1-F23 WeakPolarHBondContact O-CD1 2.98Å | |||
| 2 | F | 73.1 | Confident | 72.4 | Confident | 41 Ų | 41 | 99.1 Ų | 99.1 | 18% | 0.18 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.6 | 176.8 | 65.3 | -79.9 | 0 | 0 | 0 | 110.5 | E4 R15 F23 C30 | F2-E4 HydrophobicContact CD2-CG 3.75Å; F2-E4 HydrophobicContact CE2-CG 3.49Å; F2-E4 VanDerWaalsContact CE2-CG 3.49Å; F2-R15 HydrophobicContact CD1-CB 4.21Å; F2-R15 HydrophobicContact CD2-CB 4.46Å; F2-R15 HydrophobicContact CE1-CB 3.74Å; F2-R15 HydrophobicContact CE2-CB 4.06Å; F2-R15 HydrophobicContact CZ-CB 3.67Å; F2-R15 HydrophobicContact CZ-CG 4.45Å; F2-R15 PolarHBondContact N-O 3.45Å; F2-R15 PolarHBondContact O-N 3.06Å; F2-F23 HydrophobicContact CB-CD1 3.94Å; F2-F23 HydrophobicContact CB-CD2 3.5Å; F2-F23 HydrophobicContact CB-CE1 3.76Å; F2-F23 HydrophobicContact CB-CE2 3.31Å; F2-F23 HydrophobicContact CB-CG 3.8Å; F2-F23 HydrophobicContact CB-CZ 3.46Å; F2-F23 VanDerWaalsContact CB-CZ 3.46Å; F2-F23 HydrophobicContact CD1-CD2 4.05Å; F2-F23 HydrophobicContact CD1-CE2 4.4Å; F2-F23 HydrophobicContact CD2-CE2 4.45Å; F2-F23 AromaticContact CG-CD2 3.95Å; F2-F23 HydrophobicContact CG-CD2 3.95Å; F2-F23 AromaticContact CG-CE2 3.86Å; F2-F23 HydrophobicContact CG-CE2 3.86Å; F2-F23 HydrophobicContact CG-CZ 4.43Å; F2-C30 VanDerWaalsContact CE1-SG 3.54Å |
| 3 | L | 70.8 | Confident | 72.8 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.9 | -177.1 | -68.6 | 161.9 | 0 | 0 | 0 | 107.5 | Y12 K14 | L3-Y12 HydrophobicContact CB-CD1 4.24Å; L3-K14 HydrophobicContact CD2-CB 4.24Å |
| 4 | E | 74.3 | Confident | 72.9 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 144 | 171 | -67.8 | -173.6 | 132 | 0 | 0 | 109.4 | F2 S6 Y12 I13 R15 | F2-E4 HydrophobicContact CD2-CG 3.75Å; F2-E4 HydrophobicContact CE2-CG 3.49Å; F2-E4 VanDerWaalsContact CE2-CG 3.49Å; E4-S6 PolarHBondContact O-N 3.26Å; E4-Y12 CarbonylContact O-C 3.43Å; E4-Y12 VanDerWaalsContact O-CA 3.3Å; E4-Y12 WeakPolarHBondContact O-CA 3.3Å; E4-I13 PolarHBondContact N-O 3.31Å; E4-I13 PolarHBondContact O-N 3.15Å; E4-R15 WeakPolarHBondContact OE2-CD 3.5Å; E4-R15 IonicContact OE2-CZ 3.34Å; E4-R15 IonicContact OE2-NE 2.65Å; E4-R15 PolarHBondContact OE2-NE 3.35Å; E4-R15 IonicContact OE2-NH2 3.76Å |
| 5 | C | 66.1 | Low | 73.1 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.5 | 171.9 | -159.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 6 | S | 77.1 | Confident | 73.5 | Confident | 12 Ų | 12 | 103 Ų | 103 | 8% | 0.084 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 149.7 | 170.5 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | E4 D8 G9 E11 | E4-S6 PolarHBondContact O-N 3.26Å; S6-D8 PolarHBondContact O-N 3.2Å; S6-D8 VanDerWaalsContact O-N 3.07Å; S6-G9 WeakPolarHBondContact O-CA 3.15Å; S6-G9 PolarHBondContact O-N 3.15Å; S6-E11 VanDerWaalsContact CB-O 3.24Å; S6-E11 WeakPolarHBondContact CB-O 3.24Å; S6-E11 PolarHBondContact N-O 2.85Å |
| 7 | T | 72.2 | Confident | 73.6 | Confident | 142 Ų | 142 | 98.4 Ų | 98.4 | 87% | 0.871 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.4 | -178.8 | 36.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 8 | D | 78 | Confident | 73.9 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.4 | 178.2 | -58.6 | -86.5 | 0 | 0 | 0 | 113.1 | S6 T10 | S6-D8 PolarHBondContact O-N 3.2Å; S6-D8 VanDerWaalsContact O-N 3.07Å; D8-T10 PolarHBondContact O-N 3.07Å; D8-T10 VanDerWaalsContact O-N 3.15Å |
| 9 | G | 70.7 | Confident | 73.4 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 70.3 | 4.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S6 | S6-G9 WeakPolarHBondContact O-CA 3.15Å; S6-G9 PolarHBondContact O-N 3.15Å |
| 10 | T | 74.9 | Confident | 73.2 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 72% | 0.718 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -91.9 | -19.7 | -172.7 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | D8 | D8-T10 PolarHBondContact O-N 3.07Å; D8-T10 VanDerWaalsContact O-N 3.15Å |
| 11 | E | 76.4 | Confident | 73.2 | Confident | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | trans | -148.4 | 157.2 | -175.7 | 68 | -175.6 | 161.7 | 0 | 0 | 113.2 | S6 | S6-E11 VanDerWaalsContact CB-O 3.24Å; S6-E11 WeakPolarHBondContact CB-O 3.24Å; S6-E11 PolarHBondContact N-O 2.85Å | ||
| 12 | Y | 73.9 | Confident | 74.1 | Confident | 172 Ų | 172 | 97 Ų | 97 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.6 | 173.2 | -68.1 | -81.5 | 0 | 0 | 0 | 110.4 | L3 E4 K14 | L3-Y12 HydrophobicContact CB-CD1 4.24Å; E4-Y12 CarbonylContact O-C 3.43Å; E4-Y12 VanDerWaalsContact O-CA 3.3Å; E4-Y12 WeakPolarHBondContact O-CA 3.3Å; Y12-K14 PolarHBondContact O-N 3.49Å |
| 13 | I | 76.9 | Confident | 74.3 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 32% | 0.323 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.9 | 176.6 | -56 | 170.6 | 0 | 0 | 0 | 108.3 | E4 R15 | E4-I13 PolarHBondContact N-O 3.31Å; E4-I13 PolarHBondContact O-N 3.15Å; I13-R15 HydrophobicContact CG2-CG 4.18Å; I13-R15 PolarHBondContact O-N 2.96Å |
| 14 | K | 74.5 | Confident | 74.6 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 109.3 | 176.3 | -171.4 | -179.7 | -172.7 | 177.9 | 0 | 110 | M1 L3 Y12 Y16 | M1-K14 WeakPolarHBondContact SD-CE 3.46Å; L3-K14 HydrophobicContact CD2-CB 4.24Å; Y12-K14 PolarHBondContact O-N 3.49Å; K14-Y16 HydrophobicContact CD-CE2 4.34Å; K14-Y16 VanDerWaalsContact CE-OH 3.31Å; K14-Y16 WeakPolarHBondContact CE-OH 3.45Å; K14-Y16 HydrophobicContact CG-CE2 4.29Å; K14-Y16 PolarHBondContact NZ-OH 2.76Å |
| 15 | R | 76.9 | Confident | 74.4 | Confident | 128 Ų | 128 | 97.4 Ų | 97.4 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.5 | 173.6 | -64.4 | -150.2 | -171.3 | -152.1 | 0.7 | 112.1 | M1 F2 E4 I13 | M1-R15 CarbonylContact C-O 3.54Å; M1-R15 VanDerWaalsContact CA-O 3.31Å; M1-R15 WeakPolarHBondContact CA-O 3.36Å; F2-R15 HydrophobicContact CD1-CB 4.21Å; F2-R15 HydrophobicContact CD2-CB 4.46Å; F2-R15 HydrophobicContact CE1-CB 3.74Å; F2-R15 HydrophobicContact CE2-CB 4.06Å; F2-R15 HydrophobicContact CZ-CB 3.67Å; F2-R15 HydrophobicContact CZ-CG 4.45Å; F2-R15 PolarHBondContact N-O 3.45Å; F2-R15 PolarHBondContact O-N 3.06Å; E4-R15 WeakPolarHBondContact OE2-CD 3.5Å; E4-R15 IonicContact OE2-CZ 3.34Å; E4-R15 IonicContact OE2-NE 2.65Å; E4-R15 PolarHBondContact OE2-NE 3.35Å; E4-R15 IonicContact OE2-NH2 3.76Å; I13-R15 HydrophobicContact CG2-CG 4.18Å; I13-R15 PolarHBondContact O-N 2.96Å |
| 16 | Y | 79.3 | Confident | 74.6 | Confident | 159 Ų | 159 | 104.5 Ų | 104.5 | 62% | 0.624 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 141.5 | 173.6 | -63.5 | -93.2 | 0 | 0 | 0 | 108.2 | M1 K14 | M1-Y16 HydrophobicContact CB-CD1 4.37Å; K14-Y16 HydrophobicContact CD-CE2 4.34Å; K14-Y16 VanDerWaalsContact CE-OH 3.31Å; K14-Y16 WeakPolarHBondContact CE-OH 3.45Å; K14-Y16 HydrophobicContact CG-CE2 4.29Å; K14-Y16 PolarHBondContact NZ-OH 2.76Å |
| 17 | C | 75.6 | Confident | 74 | Confident | 24 Ų | 24 | 109.2 Ų | 109.2 | 16% | 0.162 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 157.8 | 169.6 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | A21 C30 | C17-A21 HydrophobicContact CB-CB 3.93Å; C17-A21 VanDerWaalsContact CB-O 3.27Å; C17-A21 WeakPolarHBondContact CB-O 2.9Å; C17-C30 VanDerWaalsContact CA-SG 3.53Å; C17-C30 HydrophobicContact CB-CB 3.74Å; C17-C30 WeakPolarHBondContact CB-SG 3.26Å; C17-C30 WeakPolarHBondContact SG-CB 3.24Å; C17-C30 CovalentContact SG-SG 2.04Å; C17-C30 PolarHBondContact SG-SG 3.28Å |
| 18 | Q | 77.4 | Confident | 74.1 | Confident | 161 Ų | 161 | 108.2 Ų | 108.2 | 75% | 0.752 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 154 | 169 | -70.4 | -176 | -69.8 | 0 | 0 | 110.4 | D20 A21 | Q18-D20 PolarHBondContact O-N 3.19Å; Q18-A21 PolarHBondContact O-N 2.63Å |
| 19 | P | 66.1 | Low | 73.6 | Confident | 117 Ų | 117 | 104.6 Ų | 104.6 | 76% | 0.76 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.9 | 173.3 | 21 | -31.3 | 0 | 0 | 0 | 109.7 | A21 | P19-A21 VanDerWaalsContact C-N 3.35Å; P19-A21 PolarHBondContact O-N 2.93Å |
| 20 | D | 68.6 | Low | 73.9 | Confident | 125 Ų | 125 | 104 Ų | 104 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 25.7 | -174.7 | -48.9 | -52.6 | 0 | 0 | 0 | 115.9 | Q18 A32 I33 | Q18-D20 PolarHBondContact O-N 3.19Å; D20-A32 CarbonylContact O-C 3.52Å; D20-A32 WeakPolarHBondContact O-CA 3.26Å; D20-I33 HydrophobicContact CB-CG1 4.35Å; D20-I33 WeakPolarHBondContact O-CG1 3.09Å; D20-I33 PolarHBondContact O-N 3.07Å |
| 21 | A | 73.1 | Confident | 74.1 | Confident | 26 Ų | 26 | 100.9 Ų | 100.9 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C17 Q18 P19 C30 V31 | C17-A21 HydrophobicContact CB-CB 3.93Å; C17-A21 VanDerWaalsContact CB-O 3.27Å; C17-A21 WeakPolarHBondContact CB-O 2.9Å; Q18-A21 PolarHBondContact O-N 2.63Å; P19-A21 VanDerWaalsContact C-N 3.35Å; P19-A21 PolarHBondContact O-N 2.93Å; A21-C30 HydrophobicContact CB-CB 4.26Å; A21-V31 CarbonylContact C-O 3.54Å; A21-V31 WeakPolarHBondContact CA-O 3.22Å; A21-V31 WeakPolarHBondContact CB-O 2.9Å |
| 22 | V | 79.6 | Confident | 73.9 | Confident | 69 Ų | 69 | 98.7 Ų | 98.7 | 42% | 0.418 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.2 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | V24 C30 V31 I33 | V22-V24 PolarHBondContact O-N 3.23Å; V22-C30 CarbonylContact O-C 3.6Å; V22-C30 WeakPolarHBondContact O-CA 3.49Å; V22-V31 PolarHBondContact N-O 3.41Å; V22-V31 PolarHBondContact O-N 2.89Å; V22-I33 HydrophobicContact CB-CG2 3.91Å; V22-I33 HydrophobicContact CG2-CB 4.42Å; V22-I33 HydrophobicContact CG2-CD1 4.07Å; V22-I33 HydrophobicContact CG2-CG1 4.24Å; V22-I33 HydrophobicContact CG2-CG2 3.35Å |
| 23 | F | 77.3 | Confident | 73.4 | Confident | 36 Ų | 36 | 95 Ų | 95 | 16% | 0.158 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 116.4 | 174.2 | -178.4 | -114.9 | 0 | 0 | 0 | 109.8 | M1 F2 Q25 N28 | M1-F23 VanDerWaalsContact O-CD1 3.32Å; M1-F23 WeakPolarHBondContact O-CD1 2.98Å; F2-F23 HydrophobicContact CB-CD1 3.94Å; F2-F23 HydrophobicContact CB-CD2 3.5Å; F2-F23 HydrophobicContact CB-CE1 3.76Å; F2-F23 HydrophobicContact CB-CE2 3.31Å; F2-F23 HydrophobicContact CB-CG 3.8Å; F2-F23 HydrophobicContact CB-CZ 3.46Å; F2-F23 VanDerWaalsContact CB-CZ 3.46Å; F2-F23 HydrophobicContact CD1-CD2 4.05Å; F2-F23 HydrophobicContact CD1-CE2 4.4Å; F2-F23 HydrophobicContact CD2-CE2 4.45Å; F2-F23 AromaticContact CG-CD2 3.95Å; F2-F23 HydrophobicContact CG-CD2 3.95Å; F2-F23 AromaticContact CG-CE2 3.86Å; F2-F23 HydrophobicContact CG-CE2 3.86Å; F2-F23 HydrophobicContact CG-CZ 4.43Å; F23-Q25 HydrophobicContact CD1-CG 3.96Å; F23-Q25 HydrophobicContact CE1-CB 4.48Å; F23-Q25 HydrophobicContact CE1-CG 3.74Å; F23-N28 VanDerWaalsContact CE2-C 3.43Å |
| 24 | V | 77.6 | Confident | 72.5 | Confident | 44 Ų | 44 | 99.1 Ų | 99.1 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115 | 173.4 | -157 | 0 | 0 | 0 | 0 | 108.4 | V22 R26 E27 N28 M29 V31 | V22-V24 PolarHBondContact O-N 3.23Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 2.74Å; V24-E27 VanDerWaalsContact CB-OE2 3.31Å; V24-E27 WeakPolarHBondContact CB-OE2 3.35Å; V24-E27 WeakPolarHBondContact CG1-OE2 3.18Å; V24-E27 PolarHBondContact O-N 3.39Å; V24-N28 WeakPolarHBondContact O-CA 3.3Å; V24-N28 PolarHBondContact O-N 2.85Å; V24-M29 PolarHBondContact N-O 2.85Å; V24-M29 PolarHBondContact O-N 3.14Å; V24-V31 HydrophobicContact CG2-CB 4.2Å; V24-V31 HydrophobicContact CG2-CG1 3.8Å; V24-V31 HydrophobicContact CG2-CG2 3.35Å |
| 25 | Q | 70.4 | Confident | 71.4 | Confident | 159 Ų | 159 | 101 Ų | 101 | 74% | 0.743 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.2 | -175 | -70.4 | 177.8 | -29.4 | 0 | 0 | 113.1 | F23 N28 | F23-Q25 HydrophobicContact CD1-CG 3.96Å; F23-Q25 HydrophobicContact CE1-CB 4.48Å; F23-Q25 HydrophobicContact CE1-CG 3.74Å; Q25-N28 PolarHBondContact O-N 3.49Å |
| 26 | R | 70.2 | Confident | 69.9 | Low | 232 Ų | 232 | 99.8 Ų | 99.8 | 88% | 0.875 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -37.9 | -179 | -72.7 | 180 | 179.2 | -118.8 | 0.3 | 112.1 | V24 | V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 2.74Å |
| 27 | E | 65.6 | Low | 68.6 | Low | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2 | 178.1 | -62.4 | 71.8 | -158 | 0 | 0 | 111.6 | V24 M29 | V24-E27 VanDerWaalsContact CB-OE2 3.31Å; V24-E27 WeakPolarHBondContact CB-OE2 3.35Å; V24-E27 WeakPolarHBondContact CG1-OE2 3.18Å; V24-E27 PolarHBondContact O-N 3.39Å; E27-M29 HydrophobicContact CB-CG 3.83Å; E27-M29 HydrophobicContact CB-SD 4.37Å; E27-M29 PolarHBondContact O-N 3.26Å |
| 28 | N | 73.2 | Confident | 67.1 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.5 | 38.3 | -179.8 | -149.7 | 75.7 | 0 | 0 | 0 | 113.3 | F23 V24 Q25 | F23-N28 VanDerWaalsContact CE2-C 3.43Å; V24-N28 WeakPolarHBondContact O-CA 3.3Å; V24-N28 PolarHBondContact O-N 2.85Å; Q25-N28 PolarHBondContact O-N 3.49Å |
| 29 | M | 67.4 | Low | 65.8 | Low | 50 Ų | 50 | 109.9 Ų | 109.9 | 25% | 0.246 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.9 | 160.9 | -175.3 | 66.3 | 178.5 | -101.2 | 0 | 0 | 113.9 | V24 E27 V31 Y51 | V24-M29 PolarHBondContact N-O 2.85Å; V24-M29 PolarHBondContact O-N 3.14Å; E27-M29 HydrophobicContact CB-CG 3.83Å; E27-M29 HydrophobicContact CB-SD 4.37Å; E27-M29 PolarHBondContact O-N 3.26Å; M29-V31 HydrophobicContact CE-CG1 3.89Å; M29-V31 HydrophobicContact CG-CG1 4.33Å; M29-Y51 HydrophobicContact CE-CD2 4.24Å; M29-Y51 HydrophobicContact SD-CD2 4.2Å |
| 30 | C | 77 | Confident | 64.5 | Low | 41 Ų | 41 | 108.6 Ų | 108.6 | 28% | 0.277 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.3 | 172.3 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | F2 C17 A21 V22 | F2-C30 VanDerWaalsContact CE1-SG 3.54Å; C17-C30 VanDerWaalsContact CA-SG 3.53Å; C17-C30 HydrophobicContact CB-CB 3.74Å; C17-C30 WeakPolarHBondContact CB-SG 3.26Å; C17-C30 WeakPolarHBondContact SG-CB 3.24Å; C17-C30 CovalentContact SG-SG 2.04Å; C17-C30 PolarHBondContact SG-SG 3.28Å; A21-C30 HydrophobicContact CB-CB 4.26Å; V22-C30 CarbonylContact O-C 3.6Å; V22-C30 WeakPolarHBondContact O-CA 3.49Å |
| 31 | V | 78.5 | Confident | 63.3 | Low | 52 Ų | 52 | 114.2 Ų | 114.2 | 32% | 0.315 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.1 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | A21 V22 V24 M29 I33 | A21-V31 CarbonylContact C-O 3.54Å; A21-V31 WeakPolarHBondContact CA-O 3.22Å; A21-V31 WeakPolarHBondContact CB-O 2.9Å; V22-V31 PolarHBondContact N-O 3.41Å; V22-V31 PolarHBondContact O-N 2.89Å; V24-V31 HydrophobicContact CG2-CB 4.2Å; V24-V31 HydrophobicContact CG2-CG1 3.8Å; V24-V31 HydrophobicContact CG2-CG2 3.35Å; M29-V31 HydrophobicContact CE-CG1 3.89Å; M29-V31 HydrophobicContact CG-CG1 4.33Å; V31-I33 PolarHBondContact O-N 3.14Å |
| 32 | A | 73.5 | Confident | 61.7 | Low | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D20 Q34 | D20-A32 CarbonylContact O-C 3.52Å; D20-A32 WeakPolarHBondContact O-CA 3.26Å; A32-Q34 VanDerWaalsContact C-N 3.29Å; A32-Q34 PolarHBondContact O-N 3.38Å; A32-Q34 VanDerWaalsContact O-N 3.1Å |
| 33 | I | 63.4 | Low | 59.6 | Low | 95 Ų | 95 | 125.6 Ų | 125.6 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | trans | -83.8 | 71.4 | 172.6 | 39.9 | 165.7 | 0 | 0 | 0 | 109.7 | D20 V22 V31 | D20-I33 HydrophobicContact CB-CG1 4.35Å; D20-I33 WeakPolarHBondContact O-CG1 3.09Å; D20-I33 PolarHBondContact O-N 3.07Å; V22-I33 HydrophobicContact CB-CG2 3.91Å; V22-I33 HydrophobicContact CG2-CB 4.42Å; V22-I33 HydrophobicContact CG2-CD1 4.07Å; V22-I33 HydrophobicContact CG2-CG1 4.24Å; V22-I33 HydrophobicContact CG2-CG2 3.35Å; V31-I33 PolarHBondContact O-N 3.14Å | ||
| 34 | Q | 57.2 | Low | 58 | Low | 150 Ų | 150 | 128.6 Ų | 128.6 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | trans | -79.3 | 123.1 | 162.7 | -66.6 | -122 | -22.6 | 0 | 0 | 108.5 | A32 T36 | A32-Q34 VanDerWaalsContact C-N 3.29Å; A32-Q34 PolarHBondContact O-N 3.38Å; A32-Q34 VanDerWaalsContact O-N 3.1Å; Q34-T36 PolarHBondContact O-N 1.94Å | ||
| 35 | T | 50.8 | Low | 56.3 | Low | 148 Ų | 148 | 133.3 Ų | 133.3 | 91% | 0.908 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -64.1 | 15.6 | -175.2 | 41.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 36 | T | 46.1 | Very low | 55 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 63% | 0.632 | 66% | 0.656 | S | S | * | * | trans | -134.4 | 48 | -176.8 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | Q34 R38 | Q34-T36 PolarHBondContact O-N 1.94Å; T36-R38 PolarHBondContact O-N 2.79Å | ||
| 37 | Y | 52.6 | Low | 53.6 | Low | 228 Ų | 228 | 123.9 Ų | 123.9 | 89% | 0.894 | 64% | 0.643 | S | S | * | * | trans | -71.8 | 57.3 | 160.3 | -122.1 | -90.6 | 0 | 0 | 0 | 110.6 | ||||
| 38 | R | 43.1 | Very low | 52.6 | Low | 199 Ų | 199 | 121.2 Ų | 121.2 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | trans | -80.9 | 122.8 | 157.6 | -129 | 177.3 | -171.4 | -95.3 | 0.5 | 104.6 | T36 T40 | T36-R38 PolarHBondContact O-N 2.79Å; R38-T40 PolarHBondContact O-N 2.85Å; R38-T40 PolarHBondContact O-OG1 2.77Å | ||
| 39 | P | 50.5 | Low | 51.6 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 84% | 0.838 | 61% | 0.607 | S | S | * | * | trans | -74.1 | 68.2 | 173.2 | 31.9 | -33.3 | 0 | 0 | 0 | 108.5 | R41 | P39-R41 PolarHBondContact O-N 3.24Š| ||
| 40 | T | 38.1 | Very low | 51.1 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | trans | -78.2 | 115.1 | 162.2 | 22.1 | 0 | 0 | 0 | 0 | 106.8 | R38 T42 | R38-T40 PolarHBondContact O-N 2.85Å; R38-T40 PolarHBondContact O-OG1 2.77Å; T40-T42 PolarHBondContact O-N 2.77Å; T40-T42 PolarHBondContact O-OG1 3.09Å | ||
| 41 | R | 44.7 | Very low | 50.3 | Low | 243 Ų | 243 | 124.4 Ų | 124.4 | 92% | 0.917 | 65% | 0.648 | S | S | * | * | trans | -68.7 | 64.2 | 173.9 | -173.8 | 178.1 | 149 | -142.3 | -4.4 | 110.1 | P39 | P39-R41 PolarHBondContact O-N 3.24Š| ||
| 42 | T | 38.3 | Very low | 50 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | trans | -117.2 | 106.4 | 165 | 43.2 | 0 | 0 | 0 | 0 | 104.7 | T40 P44 | T40-T42 PolarHBondContact O-N 2.77Å; T40-T42 PolarHBondContact O-OG1 3.09Å; T42-P44 WeakPolarHBondContact O-CD 3.41Å; T42-P44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | W | 35.6 | Very low | 50.2 | Low | 228 Ų | 228 | 122.1 Ų | 122.1 | 86% | 0.864 | 63% | 0.63 | S | S | * | * | trans | -49 | 119.8 | 175.4 | -72.8 | 88.5 | 0 | 0 | 0 | 109 | T45 | W43-T45 PolarHBondContact O-N 3.11Å; W43-T45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | P | 45 | Very low | 51 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | trans | -64.2 | 117.8 | 170.2 | 25.2 | -29 | 0 | 0 | 0 | 106.8 | T42 T46 | T42-P44 WeakPolarHBondContact O-CD 3.41Å; T42-P44 VanDerWaalsContact O-N 3.15Å; P44-T46 PolarHBondContact O-N 3.44Å | ||
| 45 | T | 40.4 | Very low | 52.3 | Low | 144 Ų | 144 | 116.1 Ų | 116.1 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -70.9 | 19.2 | 173.2 | -25.9 | 0 | 0 | 0 | 0 | 112.3 | W43 | W43-T45 PolarHBondContact O-N 3.11Å; W43-T45 VanDerWaalsContact O-N 3.12Å |
| 46 | T | 43.5 | Very low | 53.9 | Low | 94 Ų | 94 | 117 Ų | 117 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | trans | -105 | 90.2 | 168.6 | -3.6 | 0 | 0 | 0 | 0 | 106.6 | P44 T48 | P44-T46 PolarHBondContact O-N 3.44Å; T46-T48 PolarHBondContact O-N 2.76Å; T46-T48 PolarHBondContact O-OG1 2.8Å | ||
| 47 | T | 41.4 | Very low | 56 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | trans | -68.3 | 60.9 | 169.2 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | T | 43.7 | Very low | 57.8 | Low | 54 Ų | 54 | 109 Ų | 109 | 33% | 0.331 | 58% | 0.579 | S | S | . | * | trans | -96.4 | 122.6 | 167.5 | -19 | 0 | 0 | 0 | 0 | 103.2 | T46 G53 | T46-T48 PolarHBondContact O-N 2.76Å; T46-T48 PolarHBondContact O-OG1 2.8Å; T48-G53 WeakPolarHBondContact CG2-O 3.46Å | ||
| 49 | T | 52.9 | Low | 59.9 | Low | 15 Ų | 15 | 103.9 Ų | 103.9 | 9% | 0.092 | 58% | 0.579 | C | S | . | * | trans | -54.8 | 128.3 | 157.8 | 48.9 | 0 | 0 | 0 | 0 | 106.2 | Y51 Y52 Y75 W82 | T49-Y51 PolarHBondContact O-N 3.02Å; T49-Y52 PolarHBondContact O-N 3.11Å; T49-Y52 WeakPolarHBondContact OG1-CB 3.46Å; T49-Y52 VanDerWaalsContact OG1-CD2 3.3Å; T49-Y52 WeakPolarHBondContact OG1-CD2 3.5Å; T49-Y75 HydrophobicContact CG2-CD1 3.51Å; T49-Y75 HydrophobicContact CG2-CD2 3.91Å; T49-Y75 HydrophobicContact CG2-CE1 3.18Å; T49-Y75 HydrophobicContact CG2-CE2 3.6Å; T49-Y75 HydrophobicContact CG2-CG 3.86Å; T49-W82 HydrophobicContact CG2-CB 4.29Å | ||
| 50 | P | 57.8 | Low | 61.7 | Low | 134 Ų | 134 | 99 Ų | 99 | 87% | 0.87 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -3.4 | -173.7 | 22.3 | -32.2 | 0 | 0 | 0 | 113.3 | ||
| 51 | Y | 59.2 | Low | 63.9 | Low | 131 Ų | 131 | 99.5 Ų | 99.5 | 51% | 0.514 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -31 | -176.6 | -176.1 | -105.9 | 0 | 0 | 0 | 114.5 | M29 T49 | M29-Y51 HydrophobicContact CE-CD2 4.24Å; M29-Y51 HydrophobicContact SD-CD2 4.2Å; T49-Y51 PolarHBondContact O-N 3.02Å |
| 52 | Y | 72 | Confident | 65.9 | Low | 42 Ų | 42 | 93.5 Ų | 93.5 | 17% | 0.165 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -2.6 | -170.6 | -62.2 | -63 | 0 | 0 | 0 | 115.3 | T49 K65 P66 Y75 W82 | T49-Y52 PolarHBondContact O-N 3.11Å; T49-Y52 WeakPolarHBondContact OG1-CB 3.46Å; T49-Y52 VanDerWaalsContact OG1-CD2 3.3Å; T49-Y52 WeakPolarHBondContact OG1-CD2 3.5Å; Y52-K65 HydrophobicContact CD1-CB 4.02Å; Y52-K65 HydrophobicContact CD1-CD 3.61Å; Y52-K65 HydrophobicContact CD1-CG 3.6Å; Y52-K65 HydrophobicContact CD2-CB 3.76Å; Y52-K65 HydrophobicContact CD2-CG 4.06Å; Y52-K65 HydrophobicContact CE1-CB 3.75Å; Y52-K65 HydrophobicContact CE1-CD 3.47Å; Y52-K65 VanDerWaalsContact CE1-CD 3.47Å; Y52-K65 HydrophobicContact CE1-CG 3.71Å; Y52-K65 HydrophobicContact CE2-CB 3.54Å; Y52-K65 HydrophobicContact CE2-CG 4.22Å; Y52-K65 HydrophobicContact CG-CB 4.02Å; Y52-K65 HydrophobicContact CG-CD 4.32Å; Y52-K65 HydrophobicContact CG-CG 3.79Å; Y52-P66 WeakPolarHBondContact CE2-O 3.2Å; Y52-P66 VanDerWaalsContact OH-CD 3.29Å; Y52-P66 WeakPolarHBondContact OH-CD 3Å; Y52-P66 WeakPolarHBondContact OH-CG 3.36Å; Y52-P66 PolarHBondContact OH-O 3.24Å; Y52-Y75 HydrophobicContact CD2-CD2 4.42Å; Y52-Y75 HydrophobicContact CE2-CD2 4.13Å; Y52-W82 PolarHBondContact O-NE1 2.94Å |
| 53 | G | 78 | Confident | 68.2 | Low | 36 Ų | 36 | 88.5 Ų | 88.5 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | trans | 58 | -155.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T48 W82 | T48-G53 WeakPolarHBondContact CG2-O 3.46Å; G53-W82 PolarHBondContact O-NE1 2.93Å | ||
| 54 | A | 80.4 | Confident | 70.8 | Confident | 99 Ų | 99 | 80 Ų | 80 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -69.2 | 152.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 55 | C | 83.4 | Confident | 72.8 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 14% | 0.135 | 45% | 0.45 | C | S | . | . | trans | -126.5 | 161.5 | -175.6 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | C77 G80 L81 W82 | C55-C77 HydrophobicContact CB-CB 3.66Å; C55-C77 WeakPolarHBondContact CB-SG 3.29Å; C55-C77 WeakPolarHBondContact SG-CA 3.43Å; C55-C77 WeakPolarHBondContact SG-CB 3.33Å; C55-C77 CovalentContact SG-SG 2.03Å; C55-C77 PolarHBondContact SG-SG 3.24Å; C55-G80 PolarHBondContact SG-O 2.96Å; C55-L81 PolarHBondContact SG-N 3.38Å; C55-L81 VanDerWaalsContact SG-N 3.39Å; C55-W82 HydrophobicContact CB-CD2 3.73Å; C55-W82 HydrophobicContact CB-CE3 4.11Å; C55-W82 HydrophobicContact CB-CG 4.37Å; C55-W82 HydrophobicContact CB-CH2 3.65Å; C55-W82 HydrophobicContact CB-CZ2 3.22Å; C55-W82 HydrophobicContact CB-CZ3 4.09Å | ||
| 56 | K | 84.5 | Confident | 75 | Confident | 167 Ų | 167 | 72.2 Ų | 72.2 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | trans | -122 | 132.2 | 171.9 | -174.9 | 177.7 | 179.6 | -177.5 | 0 | 109.2 | S58 C77 | K56-S58 PolarHBondContact O-N 2.86Å; K56-C77 PolarHBondContact N-SG 3.29Å; K56-C77 VanDerWaalsContact N-SG 3.41Å | ||
| 57 | E | 90.4 | Very high | 76.9 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | trans | -61.5 | 123.2 | 176.2 | -64.4 | 179.4 | 110.1 | 0 | 0 | 109.7 | C77 A78 S79 | E57-C77 HydrophobicContact CG-CB 4.43Å; E57-A78 WeakPolarHBondContact OE1-CA 3.48Å; E57-S79 PolarHBondContact OE1-N 3.18Å | ||
| 58 | S | 90.1 | Very high | 78.7 | Confident | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | trans | -157.3 | 158.8 | 174.2 | 76.9 | 0 | 0 | 0 | 0 | 109.8 | K56 G60 G63 Y64 | K56-S58 PolarHBondContact O-N 2.86Å; S58-G60 PolarHBondContact O-N 3.42Å; S58-G60 PolarHBondContact OG-N 2.93Å; S58-G63 WeakPolarHBondContact O-CA 3.23Å; S58-G63 WeakPolarHBondContact OG-CA 3.22Å; S58-G63 PolarHBondContact OG-N 2.65Å; S58-Y64 WeakPolarHBondContact O-CE2 3.32Å | ||
| 59 | A | 87.7 | Confident | 80.3 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 75% | 0.752 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -77.7 | -3.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 60 | G | 88.1 | Confident | 81.6 | Confident | 28 Ų | 28 | 77.8 Ų | 77.8 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -106.8 | -167.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 D62 G63 Y64 L98 | S58-G60 PolarHBondContact O-N 3.42Å; S58-G60 PolarHBondContact OG-N 2.93Å; G60-D62 PolarHBondContact O-N 3.12Å; G60-G63 PolarHBondContact O-N 3.39Å; G60-Y64 PolarHBondContact O-N 2.83Å; G60-L98 VanDerWaalsContact C-CD1 3.42Å |
| 61 | H | 85 | Confident | 82.9 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20 | 179.8 | -70.8 | -81.6 | 0 | 0 | 0 | 113.7 | G63 K65 Q95 | H61-G63 VanDerWaalsContact C-N 3.34Å; H61-K65 PolarHBondContact O-NZ 3.3Å; H61-Q95 PolarHBondContact CE1-O 3.47Å; H61-Q95 PolarHBondContact ND1-NE2 2.78Å |
| 62 | D | 85.7 | Confident | 84.4 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -27.1 | 175.9 | -64.7 | -33.5 | 0 | 0 | 0 | 112.7 | G60 W82 | G60-D62 PolarHBondContact O-N 3.12Å; D62-W82 VanDerWaalsContact O-CH2 3.29Å; D62-W82 WeakPolarHBondContact O-CH2 3.44Å |
| 63 | G | 87.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S58 G60 H61 Q76 C77 | S58-G63 WeakPolarHBondContact O-CA 3.23Å; S58-G63 WeakPolarHBondContact OG-CA 3.22Å; S58-G63 PolarHBondContact OG-N 2.65Å; G60-G63 PolarHBondContact O-N 3.39Å; H61-G63 VanDerWaalsContact C-N 3.34Å; G63-Q76 CarbonylContact O-C 3.55Å; G63-Q76 WeakPolarHBondContact O-CA 3.41Å; G63-C77 PolarHBondContact O-N 3.44Å |
| 64 | Y | 90 | Very high | 85.6 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.5 | 177.9 | -60.2 | -91.3 | 0 | 0 | 0 | 112.7 | S58 G60 F74 Y75 Q76 W93 Q95 | S58-Y64 WeakPolarHBondContact O-CE2 3.32Å; G60-Y64 PolarHBondContact O-N 2.83Å; Y64-F74 HydrophobicContact CD1-CD2 4.08Å; Y64-F74 AromaticContact CD1-CE2 3.97Å; Y64-F74 HydrophobicContact CD1-CE2 3.97Å; Y64-F74 HydrophobicContact CE1-CE2 4.15Å; Y64-Y75 CarbonylContact C-O 3.58Å; Y64-Y75 VanDerWaalsContact CA-O 3.27Å; Y64-Y75 WeakPolarHBondContact CA-O 3.38Å; Y64-Q76 HydrophobicContact CD1-CB 3.98Å; Y64-Q76 HydrophobicContact CD1-CG 4.04Å; Y64-Q76 HydrophobicContact CE1-CB 3.87Å; Y64-Q76 HydrophobicContact CE1-CG 3.54Å; Y64-Q76 PolarHBondContact OH-NE2 2.87Å; Y64-W93 AromaticContact CD1-CH2 3.56Å; Y64-W93 HydrophobicContact CD1-CH2 3.56Å; Y64-W93 HydrophobicContact CD1-CZ2 4.21Å; Y64-W93 HydrophobicContact CD1-CZ3 4.36Å; Y64-W93 HydrophobicContact CE1-CH2 4.34Å; Y64-W93 AromaticContact CG-CH2 3.82Å; Y64-W93 HydrophobicContact CG-CH2 3.82Å; Y64-W93 HydrophobicContact CG-CZ2 4.13Å; Y64-Q95 PolarHBondContact O-NE2 3.49Å |
| 65 | K | 87.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.3 | -179.4 | -68.7 | -63 | -168.3 | -70.2 | 0 | 111.6 | Y52 H61 F74 Y75 W82 | Y52-K65 HydrophobicContact CD1-CB 4.02Å; Y52-K65 HydrophobicContact CD1-CD 3.61Å; Y52-K65 HydrophobicContact CD1-CG 3.6Å; Y52-K65 HydrophobicContact CD2-CB 3.76Å; Y52-K65 HydrophobicContact CD2-CG 4.06Å; Y52-K65 HydrophobicContact CE1-CB 3.75Å; Y52-K65 HydrophobicContact CE1-CD 3.47Å; Y52-K65 VanDerWaalsContact CE1-CD 3.47Å; Y52-K65 HydrophobicContact CE1-CG 3.71Å; Y52-K65 HydrophobicContact CE2-CB 3.54Å; Y52-K65 HydrophobicContact CE2-CG 4.22Å; Y52-K65 HydrophobicContact CG-CB 4.02Å; Y52-K65 HydrophobicContact CG-CD 4.32Å; Y52-K65 HydrophobicContact CG-CG 3.79Å; H61-K65 PolarHBondContact O-NZ 3.3Å; K65-F74 CarbonylContact O-C 3.55Å; K65-F74 WeakPolarHBondContact O-CA 3.49Å; K65-Y75 PolarHBondContact N-O 2.86Å; K65-Y75 PolarHBondContact O-N 3.45Å; K65-W82 HydrophobicContact CB-CH2 4.31Å; K65-W82 HydrophobicContact CB-CZ3 4.25Å; K65-W82 HydrophobicContact CD-CH2 4.47Å; K65-W82 HydrophobicContact CG-CE3 4.48Å; K65-W82 HydrophobicContact CG-CH2 3.38Å; K65-W82 HydrophobicContact CG-CZ2 3.72Å; K65-W82 HydrophobicContact CG-CZ3 3.79Å |
| 66 | P | 86.6 | Confident | 86.4 | Confident | 38 Ų | 38 | 67 Ų | 67 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 149.9 | 178.3 | 31.9 | -31.8 | 0 | 0 | 0 | 111.1 | Y52 Q95 | Y52-P66 WeakPolarHBondContact CE2-O 3.2Å; Y52-P66 VanDerWaalsContact OH-CD 3.29Å; Y52-P66 WeakPolarHBondContact OH-CD 3Å; Y52-P66 WeakPolarHBondContact OH-CG 3.36Å; Y52-P66 PolarHBondContact OH-O 3.24Å; P66-Q95 VanDerWaalsContact CD-OE1 3.3Å; P66-Q95 HydrophobicContact CG-CB 4.49Å; P66-Q95 HydrophobicContact CG-CG 4.27Å |
| 67 | D | 83.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | trans | -81.7 | 119.8 | 163.4 | -180 | -25.2 | 0 | 0 | 0 | 108.6 | Y69 N70 N73 Y75 Q84 | D67-Y69 VanDerWaalsContact C-N 3.27Å; D67-Y69 PolarHBondContact O-N 2.94Å; D67-Y69 WeakPolarHBondContact OD1-CA 3.04Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D67-Y69 PolarHBondContact OD1-N 2.99Å; D67-N70 WeakPolarHBondContact CB-O 3.48Å; D67-N70 CarbonylContact O-C 3.47Å; D67-N70 PolarHBondContact OD1-N 2.97Å; D67-N73 HydrophobicContact CB-CB 3.62Å; D67-N73 WeakPolarHBondContact CB-O 2.85Å; D67-N73 PolarHBondContact N-O 2.8Å; D67-N73 WeakPolarHBondContact OD2-CB 3.31Å; D67-N73 PolarHBondContact OD2-ND2 2.88Å; D67-Y75 HydrophobicContact CB-CD2 4.46Å; D67-Y75 HydrophobicContact CB-CE2 3.87Å; D67-Q84 PolarHBondContact OD2-NE2 3.41Å | ||
| 68 | V | 79 | Confident | 86.3 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -74.4 | -18.3 | -175.9 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 69 | Y | 77.3 | Confident | 86 | Confident | 208 Ų | 208 | 58 Ų | 58 | 82% | 0.816 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -98.8 | -28.4 | -180 | -58.4 | -71.3 | 0 | 0 | 0 | 112 | D67 | D67-Y69 VanDerWaalsContact C-N 3.27Å; D67-Y69 PolarHBondContact O-N 2.94Å; D67-Y69 WeakPolarHBondContact OD1-CA 3.04Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.45Å; D67-Y69 PolarHBondContact OD1-N 2.99Å |
| 70 | N | 80.6 | Confident | 85.6 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | trans | -136.5 | 101.2 | -179.5 | -169.7 | -22.2 | 0 | 0 | 0 | 111.2 | D67 K72 N73 | D67-N70 WeakPolarHBondContact CB-O 3.48Å; D67-N70 CarbonylContact O-C 3.47Å; D67-N70 PolarHBondContact OD1-N 2.97Å; N70-K72 PolarHBondContact O-N 2.04Å; N70-K72 VanDerWaalsContact OD1-CB 3.23Å; N70-K72 WeakPolarHBondContact OD1-CB 3.39Å; N70-K72 PolarHBondContact OD1-N 3.44Å; N70-N73 HydrophobicContact CB-CB 4.24Å; N70-N73 WeakPolarHBondContact CB-ND2 3.41Å; N70-N73 PolarHBondContact ND2-ND2 2.81Å; N70-N73 WeakPolarHBondContact O-CA 3.31Å; N70-N73 WeakPolarHBondContact O-CB 3.04Å; N70-N73 PolarHBondContact O-N 3.26Å | ||
| 71 | C | 85.3 | Confident | 85.3 | Confident | 42 Ų | 42 | 58.3 Ų | 58.3 | 28% | 0.284 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.1 | 174.7 | 64 | 0 | 0 | 0 | 0 | 116.2 | W93 C107 | C71-W93 PolarHBondContact O-N 3.25Å; C71-C107 HydrophobicContact CB-CB 3.37Å; C71-C107 WeakPolarHBondContact CB-SG 3.31Å; C71-C107 WeakPolarHBondContact SG-CB 3.16Å; C71-C107 CovalentContact SG-SG 1.94Å; C71-C107 PolarHBondContact SG-SG 2.86Å |
| 72 | K | 89.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.3 | 176 | -167.9 | 176.7 | 178.6 | -171.9 | 0 | 110.6 | N70 S86 C87 | N70-K72 PolarHBondContact O-N 2.04Å; N70-K72 VanDerWaalsContact OD1-CB 3.23Å; N70-K72 WeakPolarHBondContact OD1-CB 3.39Å; N70-K72 PolarHBondContact OD1-N 3.44Å; K72-S86 WeakPolarHBondContact O-CA 3.29Å; K72-C87 WeakPolarHBondContact CE-O 3.09Å; K72-C87 HydrophobicContact CG-CB 4.3Å; K72-C87 WeakPolarHBondContact O-CB 3.27Å; K72-C87 PolarHBondContact O-N 2.75Å |
| 73 | N | 87.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.5 | -176.4 | -61.5 | -21.8 | 0 | 0 | 0 | 111.4 | D67 N70 Q84 R85 S86 | D67-N73 HydrophobicContact CB-CB 3.62Å; D67-N73 WeakPolarHBondContact CB-O 2.85Å; D67-N73 PolarHBondContact N-O 2.8Å; D67-N73 WeakPolarHBondContact OD2-CB 3.31Å; D67-N73 PolarHBondContact OD2-ND2 2.88Å; N70-N73 HydrophobicContact CB-CB 4.24Å; N70-N73 WeakPolarHBondContact CB-ND2 3.41Å; N70-N73 PolarHBondContact ND2-ND2 2.81Å; N70-N73 WeakPolarHBondContact O-CA 3.31Å; N70-N73 WeakPolarHBondContact O-CB 3.04Å; N70-N73 PolarHBondContact O-N 3.26Å; N73-Q84 HydrophobicContact CB-CG 4.33Å; N73-Q84 PolarHBondContact ND2-NE2 3.33Å; N73-R85 CarbonylContact C-O 3.57Å; N73-R85 VanDerWaalsContact CA-O 3.22Å; N73-R85 WeakPolarHBondContact CA-O 3.32Å; N73-S86 WeakPolarHBondContact OD1-CB 3.4Å; N73-S86 PolarHBondContact OD1-OG 2.88Å |
| 74 | F | 89.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 165.6 | 173.1 | 67.8 | -82.7 | 0 | 0 | 0 | 109.6 | Y64 K65 Q76 Q84 R85 W93 | Y64-F74 HydrophobicContact CD1-CD2 4.08Å; Y64-F74 AromaticContact CD1-CE2 3.97Å; Y64-F74 HydrophobicContact CD1-CE2 3.97Å; Y64-F74 HydrophobicContact CE1-CE2 4.15Å; K65-F74 CarbonylContact O-C 3.55Å; K65-F74 WeakPolarHBondContact O-CA 3.49Å; F74-Q76 HydrophobicContact CE2-CB 4.25Å; F74-Q84 CarbonylContact O-C 3.55Å; F74-Q84 WeakPolarHBondContact O-CA 3.29Å; F74-R85 HydrophobicContact CD1-CB 4.11Å; F74-R85 WeakPolarHBondContact CD1-O 3.48Å; F74-R85 HydrophobicContact CD2-CB 4.38Å; F74-R85 HydrophobicContact CE1-CB 3.57Å; F74-R85 HydrophobicContact CE2-CB 3.88Å; F74-R85 HydrophobicContact CE2-CG 4.48Å; F74-R85 HydrophobicContact CG-CB 4.49Å; F74-R85 HydrophobicContact CZ-CB 3.45Å; F74-R85 VanDerWaalsContact CZ-CB 3.45Å; F74-R85 HydrophobicContact CZ-CG 4.3Å; F74-R85 PolarHBondContact N-O 3.01Å; F74-R85 PolarHBondContact O-N 2.96Å; F74-R85 VanDerWaalsContact O-O 3.14Å; F74-W93 HydrophobicContact CB-CB 3.94Å; F74-W93 HydrophobicContact CB-CD2 3.31Å; F74-W93 HydrophobicContact CB-CE3 3.65Å; F74-W93 HydrophobicContact CB-CG 3.43Å; F74-W93 VanDerWaalsContact CB-CG 3.43Å; F74-W93 HydrophobicContact CB-CZ2 4.42Å; F74-W93 HydrophobicContact CB-CZ3 4.3Å; F74-W93 HydrophobicContact CD1-CB 4.43Å; F74-W93 HydrophobicContact CD1-CD2 4.01Å; F74-W93 AromaticContact CD1-CE3 3.45Å; F74-W93 HydrophobicContact CD1-CE3 3.45Å; F74-W93 VanDerWaalsContact CD1-CE3 3.45Å; F74-W93 HydrophobicContact CD1-CG 4.43Å; F74-W93 HydrophobicContact CD1-CZ3 4.01Å; F74-W93 HydrophobicContact CD2-CD2 4.13Å; F74-W93 AromaticContact CD2-CE3 3.67Å; F74-W93 HydrophobicContact CD2-CE3 3.67Å; F74-W93 AromaticContact CD2-CH2 3.84Å; F74-W93 HydrophobicContact CD2-CH2 3.84Å; F74-W93 HydrophobicContact CD2-CZ2 4.3Å; F74-W93 AromaticContact CD2-CZ3 3.5Å; F74-W93 HydrophobicContact CD2-CZ3 3.5Å; F74-W93 AromaticContact CE1-CE3 3.91Å; F74-W93 HydrophobicContact CE1-CE3 3.91Å; F74-W93 HydrophobicContact CE1-CZ3 4.14Å; F74-W93 HydrophobicContact CE2-CE3 4.11Å; F74-W93 HydrophobicContact CE2-CH2 4.16Å; F74-W93 AromaticContact CE2-CZ3 3.65Å; F74-W93 HydrophobicContact CE2-CZ3 3.65Å; F74-W93 AromaticContact CG-CD2 3.58Å; F74-W93 HydrophobicContact CG-CD2 3.58Å; F74-W93 AromaticContact CG-CE3 3.31Å; F74-W93 HydrophobicContact CG-CE3 3.31Å; F74-W93 HydrophobicContact CG-CG 4.13Å; F74-W93 HydrophobicContact CG-CH2 4.29Å; F74-W93 AromaticContact CG-CZ3 3.69Å; F74-W93 HydrophobicContact CG-CZ3 3.69Å; F74-W93 HydrophobicContact CZ-CE3 4.21Å; F74-W93 AromaticContact CZ-CZ3 3.96Å; F74-W93 HydrophobicContact CZ-CZ3 3.96Å |
| 75 | Y | 90.6 | Very high | 85 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.3 | 174.8 | -64 | -80.9 | 0 | 0 | 0 | 109.1 | T49 Y52 Y64 K65 D67 W82 T83 Q84 | T49-Y75 HydrophobicContact CG2-CD1 3.51Å; T49-Y75 HydrophobicContact CG2-CD2 3.91Å; T49-Y75 HydrophobicContact CG2-CE1 3.18Å; T49-Y75 HydrophobicContact CG2-CE2 3.6Å; T49-Y75 HydrophobicContact CG2-CG 3.86Å; Y52-Y75 HydrophobicContact CD2-CD2 4.42Å; Y52-Y75 HydrophobicContact CE2-CD2 4.13Å; Y64-Y75 CarbonylContact C-O 3.58Å; Y64-Y75 VanDerWaalsContact CA-O 3.27Å; Y64-Y75 WeakPolarHBondContact CA-O 3.38Å; K65-Y75 PolarHBondContact N-O 2.86Å; K65-Y75 PolarHBondContact O-N 3.45Å; D67-Y75 HydrophobicContact CB-CD2 4.46Å; D67-Y75 HydrophobicContact CB-CE2 3.87Å; Y75-W82 HydrophobicContact CD1-CB 4.12Å; Y75-W82 HydrophobicContact CG-CB 4.44Å; Y75-T83 WeakPolarHBondContact CA-O 3.34Å; Y75-Q84 HydrophobicContact CD1-CB 3.84Å; Y75-Q84 HydrophobicContact CD1-CG 4.24Å; Y75-Q84 HydrophobicContact CE1-CB 3.51Å; Y75-Q84 HydrophobicContact CE1-CG 3.72Å; Y75-Q84 PolarHBondContact OH-OE1 2.97Å; Y75-Q84 VanDerWaalsContact OH-OE1 3.06Å |
| 76 | Q | 90.4 | Very high | 85.1 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.9 | 169.5 | 179 | -178.6 | 14.6 | 0 | 0 | 108.4 | G63 Y64 F74 A78 T83 | G63-Q76 CarbonylContact O-C 3.55Å; G63-Q76 WeakPolarHBondContact O-CA 3.41Å; Y64-Q76 HydrophobicContact CD1-CB 3.98Å; Y64-Q76 HydrophobicContact CD1-CG 4.04Å; Y64-Q76 HydrophobicContact CE1-CB 3.87Å; Y64-Q76 HydrophobicContact CE1-CG 3.54Å; Y64-Q76 PolarHBondContact OH-NE2 2.87Å; F74-Q76 HydrophobicContact CE2-CB 4.25Å; Q76-A78 PolarHBondContact O-N 2.88Å; Q76-T83 PolarHBondContact N-O 3.36Å; Q76-T83 WeakPolarHBondContact O-CB 3.27Å; Q76-T83 PolarHBondContact O-N 2.83Å |
| 77 | C | 87 | Confident | 85.3 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.3 | 171.3 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | C55 K56 E57 G63 L81 W82 | C55-C77 HydrophobicContact CB-CB 3.66Å; C55-C77 WeakPolarHBondContact CB-SG 3.29Å; C55-C77 WeakPolarHBondContact SG-CA 3.43Å; C55-C77 WeakPolarHBondContact SG-CB 3.33Å; C55-C77 CovalentContact SG-SG 2.03Å; C55-C77 PolarHBondContact SG-SG 3.24Å; K56-C77 PolarHBondContact N-SG 3.29Å; K56-C77 VanDerWaalsContact N-SG 3.41Å; E57-C77 HydrophobicContact CG-CB 4.43Å; G63-C77 PolarHBondContact O-N 3.44Å; C77-L81 CarbonylContact C-O 3.53Å; C77-L81 WeakPolarHBondContact CA-O 3.36Å; C77-W82 HydrophobicContact CB-CE3 4.16Å; C77-W82 HydrophobicContact CB-CH2 4.4Å; C77-W82 HydrophobicContact CB-CZ3 3.89Å |
| 78 | A | 84.6 | Confident | 85.4 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E57 Q76 G80 L81 | E57-A78 WeakPolarHBondContact OE1-CA 3.48Å; Q76-A78 PolarHBondContact O-N 2.88Å; A78-G80 PolarHBondContact O-N 3.48Å; A78-G80 VanDerWaalsContact O-N 3.14Å; A78-L81 PolarHBondContact N-O 2.68Å; A78-L81 PolarHBondContact O-N 3.05Å |
| 79 | S | 84.6 | Confident | 85.7 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.1 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 114 | E57 L81 | E57-S79 PolarHBondContact OE1-N 3.18Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 2.66Å |
| 80 | G | 79.5 | Confident | 86 | Confident | 34 Ų | 34 | 58 Ų | 58 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 8.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C55 A78 | C55-G80 PolarHBondContact SG-O 2.96Å; A78-G80 PolarHBondContact O-N 3.48Å; A78-G80 VanDerWaalsContact O-N 3.14Å |
| 81 | L | 81.3 | Confident | 86.4 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 48% | 0.482 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142 | -179.8 | -62.6 | 175 | 0 | 0 | 0 | 112.2 | C55 C77 A78 S79 T83 | C55-L81 PolarHBondContact SG-N 3.38Å; C55-L81 VanDerWaalsContact SG-N 3.39Å; C77-L81 CarbonylContact C-O 3.53Å; C77-L81 WeakPolarHBondContact CA-O 3.36Å; A78-L81 PolarHBondContact N-O 2.68Å; A78-L81 PolarHBondContact O-N 3.05Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 2.66Å; L81-T83 PolarHBondContact O-N 3.29Å |
| 82 | W | 81 | Confident | 86.7 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.038 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 109.7 | 174 | -69.9 | 116.4 | 0 | 0 | 0 | 110.7 | T49 Y52 G53 C55 D62 K65 Y75 C77 | T49-W82 HydrophobicContact CG2-CB 4.29Å; Y52-W82 PolarHBondContact O-NE1 2.94Å; G53-W82 PolarHBondContact O-NE1 2.93Å; C55-W82 HydrophobicContact CB-CD2 3.73Å; C55-W82 HydrophobicContact CB-CE3 4.11Å; C55-W82 HydrophobicContact CB-CG 4.37Å; C55-W82 HydrophobicContact CB-CH2 3.65Å; C55-W82 HydrophobicContact CB-CZ2 3.22Å; C55-W82 HydrophobicContact CB-CZ3 4.09Å; D62-W82 VanDerWaalsContact O-CH2 3.29Å; D62-W82 WeakPolarHBondContact O-CH2 3.44Å; K65-W82 HydrophobicContact CB-CH2 4.31Å; K65-W82 HydrophobicContact CB-CZ3 4.25Å; K65-W82 HydrophobicContact CD-CH2 4.47Å; K65-W82 HydrophobicContact CG-CE3 4.48Å; K65-W82 HydrophobicContact CG-CH2 3.38Å; K65-W82 HydrophobicContact CG-CZ2 3.72Å; K65-W82 HydrophobicContact CG-CZ3 3.79Å; Y75-W82 HydrophobicContact CD1-CB 4.12Å; Y75-W82 HydrophobicContact CG-CB 4.44Å; C77-W82 HydrophobicContact CB-CE3 4.16Å; C77-W82 HydrophobicContact CB-CH2 4.4Å; C77-W82 HydrophobicContact CB-CZ3 3.89Å |
| 83 | T | 84.5 | Confident | 86.9 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.4 | 175 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | Y75 Q76 L81 | Y75-T83 WeakPolarHBondContact CA-O 3.34Å; Q76-T83 PolarHBondContact N-O 3.36Å; Q76-T83 WeakPolarHBondContact O-CB 3.27Å; Q76-T83 PolarHBondContact O-N 2.83Å; L81-T83 PolarHBondContact O-N 3.29Å |
| 84 | Q | 88.1 | Confident | 87 | Confident | 93 Ų | 93 | 53.2 Ų | 53.2 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.6 | 175.1 | -164 | 164 | -16.8 | 0 | 0 | 110.8 | D67 N73 F74 Y75 | D67-Q84 PolarHBondContact OD2-NE2 3.41Å; N73-Q84 HydrophobicContact CB-CG 4.33Å; N73-Q84 PolarHBondContact ND2-NE2 3.33Å; F74-Q84 CarbonylContact O-C 3.55Å; F74-Q84 WeakPolarHBondContact O-CA 3.29Å; Y75-Q84 HydrophobicContact CD1-CB 3.84Å; Y75-Q84 HydrophobicContact CD1-CG 4.24Å; Y75-Q84 HydrophobicContact CE1-CB 3.51Å; Y75-Q84 HydrophobicContact CE1-CG 3.72Å; Y75-Q84 PolarHBondContact OH-OE1 2.97Å; Y75-Q84 VanDerWaalsContact OH-OE1 3.06Å |
| 85 | R | 87.1 | Confident | 87 | Confident | 127 Ų | 127 | 54.4 Ų | 54.4 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.5 | 173.3 | -67.4 | -165.2 | 178.3 | -91.4 | -3.4 | 109.3 | N73 F74 | N73-R85 CarbonylContact C-O 3.57Å; N73-R85 VanDerWaalsContact CA-O 3.22Å; N73-R85 WeakPolarHBondContact CA-O 3.32Å; F74-R85 HydrophobicContact CD1-CB 4.11Å; F74-R85 WeakPolarHBondContact CD1-O 3.48Å; F74-R85 HydrophobicContact CD2-CB 4.38Å; F74-R85 HydrophobicContact CE1-CB 3.57Å; F74-R85 HydrophobicContact CE2-CB 3.88Å; F74-R85 HydrophobicContact CE2-CG 4.48Å; F74-R85 HydrophobicContact CG-CB 4.49Å; F74-R85 HydrophobicContact CZ-CB 3.45Å; F74-R85 VanDerWaalsContact CZ-CB 3.45Å; F74-R85 HydrophobicContact CZ-CG 4.3Å; F74-R85 PolarHBondContact N-O 3.01Å; F74-R85 PolarHBondContact O-N 2.96Å; F74-R85 VanDerWaalsContact O-O 3.14Å |
| 86 | S | 89.8 | Confident | 86.8 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140 | 176.6 | -59 | 0 | 0 | 0 | 0 | 109.5 | K72 N73 | K72-S86 WeakPolarHBondContact O-CA 3.29Å; N73-S86 WeakPolarHBondContact OD1-CB 3.4Å; N73-S86 PolarHBondContact OD1-OG 2.88Å |
| 87 | C | 90.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 155.4 | 170.1 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | K72 T91 W93 C100 | K72-C87 WeakPolarHBondContact CE-O 3.09Å; K72-C87 HydrophobicContact CG-CB 4.3Å; K72-C87 WeakPolarHBondContact O-CB 3.27Å; K72-C87 PolarHBondContact O-N 2.75Å; C87-T91 WeakPolarHBondContact CB-O 3.29Å; C87-T91 WeakPolarHBondContact CB-OG1 3.06Å; C87-W93 PolarHBondContact SG-N 3.3Å; C87-W93 VanDerWaalsContact SG-N 3.44Å; C87-C100 WeakPolarHBondContact CA-SG 3.38Å; C87-C100 HydrophobicContact CB-CB 3.69Å; C87-C100 WeakPolarHBondContact CB-SG 3.07Å; C87-C100 WeakPolarHBondContact SG-CB 3.38Å; C87-C100 CovalentContact SG-SG 2.04Å; C87-C100 PolarHBondContact SG-SG 2.78Å |
| 88 | G | 87.2 | Confident | 86.8 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 168.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | G90 T91 | G88-G90 PolarHBondContact O-N 2.75Å; G88-T91 PolarHBondContact N-OG1 3.02Å; G88-T91 VanDerWaalsContact N-OG1 3.09Å; G88-T91 PolarHBondContact O-N 2.85Å; G88-T91 VanDerWaalsContact O-N 3.11Å; G88-T91 PolarHBondContact O-OG1 3.45Å |
| 89 | E | 84.6 | Confident | 87.2 | Confident | 181 Ų | 181 | 67.8 Ų | 67.8 | 85% | 0.846 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 137.9 | 177.5 | -63.5 | -165.7 | 137.4 | 0 | 0 | 111.9 | T91 | E89-T91 PolarHBondContact O-N 2.99Š|
| 90 | G | 84.1 | Confident | 87.5 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 0.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G88 N103 | G88-G90 PolarHBondContact O-N 2.75Å; G90-N103 PolarHBondContact O-N 3.07Å |
| 91 | T | 88.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 154 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | C87 G88 E89 D101 | C87-T91 WeakPolarHBondContact CB-O 3.29Å; C87-T91 WeakPolarHBondContact CB-OG1 3.06Å; G88-T91 PolarHBondContact N-OG1 3.02Å; G88-T91 VanDerWaalsContact N-OG1 3.09Å; G88-T91 PolarHBondContact O-N 2.85Å; G88-T91 VanDerWaalsContact O-N 3.11Å; G88-T91 PolarHBondContact O-OG1 3.45Å; E89-T91 PolarHBondContact O-N 2.99Å; T91-D101 CarbonylContact C-O 3.45Å; T91-D101 WeakPolarHBondContact CA-O 3.34Å; T91-D101 WeakPolarHBondContact CB-O 3.45Å |
| 92 | I | 91.9 | Very high | 88.4 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 158.3 | -179.5 | 54.5 | 165.5 | 0 | 0 | 0 | 109.4 | D94 C100 D101 N103 Q106 C107 | I92-D94 PolarHBondContact O-N 2.66Å; I92-C100 CarbonylContact O-C 3.56Å; I92-C100 VanDerWaalsContact O-CA 3.3Å; I92-C100 WeakPolarHBondContact O-CA 3.46Å; I92-D101 PolarHBondContact N-O 3.23Å; I92-D101 PolarHBondContact O-N 2.86Å; I92-N103 HydrophobicContact CD1-CB 4.29Å; I92-N103 HydrophobicContact CG1-CB 4.12Å; I92-N103 HydrophobicContact CG2-CB 3.83Å; I92-Q106 HydrophobicContact CD1-CB 3.62Å; I92-Q106 HydrophobicContact CD1-CG 4.35Å; I92-C107 HydrophobicContact CD1-CB 4.07Å; I92-C107 HydrophobicContact CG2-CB 3.76Å |
| 93 | W | 91.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 69 Ų | 69 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.7 | 177.6 | 178.9 | -106.1 | 0 | 0 | 0 | 110.9 | Y64 C71 F74 C87 L98 | Y64-W93 AromaticContact CD1-CH2 3.56Å; Y64-W93 HydrophobicContact CD1-CH2 3.56Å; Y64-W93 HydrophobicContact CD1-CZ2 4.21Å; Y64-W93 HydrophobicContact CD1-CZ3 4.36Å; Y64-W93 HydrophobicContact CE1-CH2 4.34Å; Y64-W93 AromaticContact CG-CH2 3.82Å; Y64-W93 HydrophobicContact CG-CH2 3.82Å; Y64-W93 HydrophobicContact CG-CZ2 4.13Å; C71-W93 PolarHBondContact O-N 3.25Å; F74-W93 HydrophobicContact CB-CB 3.94Å; F74-W93 HydrophobicContact CB-CD2 3.31Å; F74-W93 HydrophobicContact CB-CE3 3.65Å; F74-W93 HydrophobicContact CB-CG 3.43Å; F74-W93 VanDerWaalsContact CB-CG 3.43Å; F74-W93 HydrophobicContact CB-CZ2 4.42Å; F74-W93 HydrophobicContact CB-CZ3 4.3Å; F74-W93 HydrophobicContact CD1-CB 4.43Å; F74-W93 HydrophobicContact CD1-CD2 4.01Å; F74-W93 AromaticContact CD1-CE3 3.45Å; F74-W93 HydrophobicContact CD1-CE3 3.45Å; F74-W93 VanDerWaalsContact CD1-CE3 3.45Å; F74-W93 HydrophobicContact CD1-CG 4.43Å; F74-W93 HydrophobicContact CD1-CZ3 4.01Å; F74-W93 HydrophobicContact CD2-CD2 4.13Å; F74-W93 AromaticContact CD2-CE3 3.67Å; F74-W93 HydrophobicContact CD2-CE3 3.67Å; F74-W93 AromaticContact CD2-CH2 3.84Å; F74-W93 HydrophobicContact CD2-CH2 3.84Å; F74-W93 HydrophobicContact CD2-CZ2 4.3Å; F74-W93 AromaticContact CD2-CZ3 3.5Å; F74-W93 HydrophobicContact CD2-CZ3 3.5Å; F74-W93 AromaticContact CE1-CE3 3.91Å; F74-W93 HydrophobicContact CE1-CE3 3.91Å; F74-W93 HydrophobicContact CE1-CZ3 4.14Å; F74-W93 HydrophobicContact CE2-CE3 4.11Å; F74-W93 HydrophobicContact CE2-CH2 4.16Å; F74-W93 AromaticContact CE2-CZ3 3.65Å; F74-W93 HydrophobicContact CE2-CZ3 3.65Å; F74-W93 AromaticContact CG-CD2 3.58Å; F74-W93 HydrophobicContact CG-CD2 3.58Å; F74-W93 AromaticContact CG-CE3 3.31Å; F74-W93 HydrophobicContact CG-CE3 3.31Å; F74-W93 HydrophobicContact CG-CG 4.13Å; F74-W93 HydrophobicContact CG-CH2 4.29Å; F74-W93 AromaticContact CG-CZ3 3.69Å; F74-W93 HydrophobicContact CG-CZ3 3.69Å; F74-W93 HydrophobicContact CZ-CE3 4.21Å; F74-W93 AromaticContact CZ-CZ3 3.96Å; F74-W93 HydrophobicContact CZ-CZ3 3.96Å; C87-W93 PolarHBondContact SG-N 3.3Å; C87-W93 VanDerWaalsContact SG-N 3.44Å; W93-L98 HydrophobicContact CH2-CB 4.23Å; W93-L98 WeakPolarHBondContact CH2-O 3.5Å; W93-L98 HydrophobicContact CZ2-CB 4.33Å; W93-L98 HydrophobicContact CZ2-CD2 4.15Å |
| 94 | D | 90.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 76 Ų | 76 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 105.8 | 170.9 | -175.2 | -28.8 | 0 | 0 | 0 | 108.9 | I92 H96 K97 L98 T99 D101 | I92-D94 PolarHBondContact O-N 2.66Å; D94-H96 PolarHBondContact O-N 3.23Å; D94-H96 WeakPolarHBondContact OD1-CA 3.43Å; D94-H96 WeakPolarHBondContact OD1-CB 3.48Å; D94-H96 IonicContact OD1-CD2 3.93Å; D94-H96 PolarHBondContact OD1-N 2.8Å; D94-K97 HydrophobicContact CB-CB 4.18Å; D94-K97 HydrophobicContact CB-CD 4.44Å; D94-K97 HydrophobicContact CB-CG 4.44Å; D94-K97 PolarHBondContact O-N 2.89Å; D94-K97 PolarHBondContact OD1-N 2.87Å; D94-K97 VanDerWaalsContact OD1-N 3.14Å; D94-K97 VanDerWaalsContact OD2-CD 3.26Å; D94-K97 WeakPolarHBondContact OD2-CD 3.3Å; D94-K97 VanDerWaalsContact OD2-CE 3.22Å; D94-K97 WeakPolarHBondContact OD2-CE 3.42Å; D94-K97 WeakPolarHBondContact OD2-CG 3.39Å; D94-K97 IonicContact OD2-NZ 3.69Å; D94-L98 WeakPolarHBondContact O-CA 3.41Å; D94-L98 PolarHBondContact O-N 2.8Å; D94-T99 PolarHBondContact N-O 2.82Å; D94-T99 PolarHBondContact O-N 2.04Å; D94-D101 HydrophobicContact CB-CB 4.1Å |
| 95 | Q | 89.2 | Confident | 87.9 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.6 | -178.8 | -178.5 | 58.3 | 19.3 | 0 | 0 | 113.1 | H61 Y64 P66 L98 | H61-Q95 PolarHBondContact CE1-O 3.47Å; H61-Q95 PolarHBondContact ND1-NE2 2.78Å; Y64-Q95 PolarHBondContact O-NE2 3.49Å; P66-Q95 VanDerWaalsContact CD-OE1 3.3Å; P66-Q95 HydrophobicContact CG-CB 4.49Å; P66-Q95 HydrophobicContact CG-CG 4.27Å; Q95-L98 VanDerWaalsContact O-CD2 3.29Å; Q95-L98 WeakPolarHBondContact O-CD2 3.47Å |
| 96 | H | 87.2 | Confident | 87.3 | Confident | 169 Ų | 169 | 75.6 Ų | 75.6 | 78% | 0.782 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -33.3 | 177.8 | -63.1 | -79.2 | 0 | 0 | 0 | 111.8 | D94 | D94-H96 PolarHBondContact O-N 3.23Å; D94-H96 WeakPolarHBondContact OD1-CA 3.43Å; D94-H96 WeakPolarHBondContact OD1-CB 3.48Å; D94-H96 IonicContact OD1-CD2 3.93Å; D94-H96 PolarHBondContact OD1-N 2.8Å |
| 97 | K | 86.7 | Confident | 86.8 | Confident | 121 Ų | 121 | 72.5 Ų | 72.5 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -10.5 | 178.9 | -60.2 | 179.1 | -168.8 | 174.7 | 0 | 113.5 | D94 T99 D101 | D94-K97 HydrophobicContact CB-CB 4.18Å; D94-K97 HydrophobicContact CB-CD 4.44Å; D94-K97 HydrophobicContact CB-CG 4.44Å; D94-K97 PolarHBondContact O-N 2.89Å; D94-K97 PolarHBondContact OD1-N 2.87Å; D94-K97 VanDerWaalsContact OD1-N 3.14Å; D94-K97 VanDerWaalsContact OD2-CD 3.26Å; D94-K97 WeakPolarHBondContact OD2-CD 3.3Å; D94-K97 VanDerWaalsContact OD2-CE 3.22Å; D94-K97 WeakPolarHBondContact OD2-CE 3.42Å; D94-K97 WeakPolarHBondContact OD2-CG 3.39Å; D94-K97 IonicContact OD2-NZ 3.69Å; K97-T99 HydrophobicContact CB-CG2 3.76Å; K97-T99 PolarHBondContact O-N 3.44Å; K97-D101 IonicContact NZ-OD2 2.63Å; K97-D101 PolarHBondContact NZ-OD2 3.24Å |
| 98 | L | 90 | Very high | 85.7 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.9 | -175.1 | -55.1 | 176.5 | 0 | 0 | 0 | 112.3 | G60 W93 D94 Q95 | G60-L98 VanDerWaalsContact C-CD1 3.42Å; W93-L98 HydrophobicContact CH2-CB 4.23Å; W93-L98 WeakPolarHBondContact CH2-O 3.5Å; W93-L98 HydrophobicContact CZ2-CB 4.33Å; W93-L98 HydrophobicContact CZ2-CD2 4.15Å; D94-L98 WeakPolarHBondContact O-CA 3.41Å; D94-L98 PolarHBondContact O-N 2.8Å; Q95-L98 VanDerWaalsContact O-CD2 3.29Å; Q95-L98 WeakPolarHBondContact O-CD2 3.47Å |
| 99 | T | 92.1 | Very high | 84.3 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 169 | -178.6 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | D94 K97 | D94-T99 PolarHBondContact N-O 2.82Å; D94-T99 PolarHBondContact O-N 2.04Å; K97-T99 HydrophobicContact CB-CG2 3.76Å; K97-T99 PolarHBondContact O-N 3.44Å |
| 100 | C | 91.8 | Very high | 82.5 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 125.9 | 171.2 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | C87 I92 | C87-C100 WeakPolarHBondContact CA-SG 3.38Å; C87-C100 HydrophobicContact CB-CB 3.69Å; C87-C100 WeakPolarHBondContact CB-SG 3.07Å; C87-C100 WeakPolarHBondContact SG-CB 3.38Å; C87-C100 CovalentContact SG-SG 2.04Å; C87-C100 PolarHBondContact SG-SG 2.78Å; I92-C100 CarbonylContact O-C 3.56Å; I92-C100 VanDerWaalsContact O-CA 3.3Å; I92-C100 WeakPolarHBondContact O-CA 3.46Å |
| 101 | D | 91.9 | Very high | 80.7 | Confident | 36 Ų | 36 | 84.4 Ų | 84.4 | 19% | 0.193 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 162 | 175.1 | -164.3 | 9.7 | 0 | 0 | 0 | 110.7 | T91 I92 D94 K97 N103 | T91-D101 CarbonylContact C-O 3.45Å; T91-D101 WeakPolarHBondContact CA-O 3.34Å; T91-D101 WeakPolarHBondContact CB-O 3.45Å; I92-D101 PolarHBondContact N-O 3.23Å; I92-D101 PolarHBondContact O-N 2.86Å; D94-D101 HydrophobicContact CB-CB 4.1Å; K97-D101 IonicContact NZ-OD2 2.63Å; K97-D101 PolarHBondContact NZ-OD2 3.24Å; D101-N103 PolarHBondContact O-N 3.38Å |
| 102 | H | 88.2 | Confident | 78.4 | Confident | 126 Ų | 126 | 87.9 Ų | 87.9 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.5 | 179.2 | -83.2 | -77.9 | 0 | 0 | 0 | 111.8 | R104 | H102-R104 PolarHBondContact O-N 3.06Å |
| 103 | N | 85.1 | Confident | 76 | Confident | 60 Ų | 60 | 94 Ų | 94 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | trans | -70.7 | 97 | 175 | -172.7 | 7.9 | 0 | 0 | 0 | 110.8 | G90 I92 D101 G105 Q106 C107 | G90-N103 PolarHBondContact O-N 3.07Å; I92-N103 HydrophobicContact CD1-CB 4.29Å; I92-N103 HydrophobicContact CG1-CB 4.12Å; I92-N103 HydrophobicContact CG2-CB 3.83Å; D101-N103 PolarHBondContact O-N 3.38Å; N103-G105 PolarHBondContact O-N 3.48Å; N103-G105 PolarHBondContact OD1-N 2.83Å; N103-Q106 PolarHBondContact OD1-N 3.45Å; N103-C107 PolarHBondContact ND2-O 2.73Å; N103-C107 PolarHBondContact OD1-N 3.1Å; N103-C107 VanDerWaalsContact OD1-N 3.15Å; N103-C107 PolarHBondContact OD1-O 2.03Å | ||
| 104 | R | 81.4 | Confident | 73.8 | Confident | 201 Ų | 201 | 98 Ų | 98 | 76% | 0.758 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -86.2 | 27.3 | 175 | -59 | -177.1 | -174.1 | -160.9 | -0 | 113 | H102 Q106 | H102-R104 PolarHBondContact O-N 3.06Å; R104-Q106 VanDerWaalsContact C-N 3.34Å |
| 105 | G | 75.8 | Confident | 71.7 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 86.5 | 4.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N103 C107 | N103-G105 PolarHBondContact O-N 3.48Å; N103-G105 PolarHBondContact OD1-N 2.83Å; G105-C107 VanDerWaalsContact C-N 3.26Å; G105-C107 PolarHBondContact O-N 3.41Å |
| 106 | Q | 75.6 | Confident | 69.5 | Low | 162 Ų | 162 | 107 Ų | 107 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -63.7 | -36.8 | 175.3 | -57.2 | -77.3 | -12.2 | 0 | 0 | 110.8 | I92 N103 R104 | I92-Q106 HydrophobicContact CD1-CB 3.62Å; I92-Q106 HydrophobicContact CD1-CG 4.35Å; N103-Q106 PolarHBondContact OD1-N 3.45Å; R104-Q106 VanDerWaalsContact C-N 3.34Å |
| 107 | C | 77.8 | Confident | 67.5 | Low | 14 Ų | 14 | 104.9 Ų | 104.9 | 10% | 0.095 | 57% | 0.568 | C | S | . | * | trans | -104.8 | 115.7 | 168.8 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | C71 I92 N103 G105 P109 | C71-C107 HydrophobicContact CB-CB 3.37Å; C71-C107 WeakPolarHBondContact CB-SG 3.31Å; C71-C107 WeakPolarHBondContact SG-CB 3.16Å; C71-C107 CovalentContact SG-SG 1.94Å; C71-C107 PolarHBondContact SG-SG 2.86Å; I92-C107 HydrophobicContact CD1-CB 4.07Å; I92-C107 HydrophobicContact CG2-CB 3.76Å; N103-C107 PolarHBondContact ND2-O 2.73Å; N103-C107 PolarHBondContact OD1-N 3.1Å; N103-C107 VanDerWaalsContact OD1-N 3.15Å; N103-C107 PolarHBondContact OD1-O 2.03Å; G105-C107 VanDerWaalsContact C-N 3.26Å; G105-C107 PolarHBondContact O-N 3.41Å; C107-P109 WeakPolarHBondContact O-CD 3.02Å | ||
| 108 | R | 69.2 | Low | 65.6 | Low | 223 Ų | 223 | 109.1 Ų | 109.1 | 84% | 0.842 | 58% | 0.583 | S | S | * | * | trans | -95.7 | 96.7 | 162.1 | -69.2 | 178.5 | 158.5 | -155.6 | -6.8 | 107.4 | T110 | R108-T110 PolarHBondContact O-N 3.39Å; R108-T110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | P | 56.9 | Low | 63.6 | Low | 84 Ų | 84 | 115 Ų | 115 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | trans | -56.8 | 124.2 | 153.7 | 26.9 | -29.8 | 0 | 0 | 0 | 104.7 | C107 S111 | C107-P109 WeakPolarHBondContact O-CD 3.02Å; P109-S111 PolarHBondContact O-N 3.44Å | ||
| 110 | T | 46.9 | Very low | 61.3 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 62% | 0.62 | S | S | * | * | trans | -54.8 | 99.1 | 154.4 | 5.8 | 0 | 0 | 0 | 0 | 103.5 | R108 P112 | R108-T110 PolarHBondContact O-N 3.39Å; R108-T110 VanDerWaalsContact O-N 3.14Å; T110-P112 WeakPolarHBondContact O-CD 3.11Å | ||
| 111 | S | 46.4 | Very low | 59.2 | Low | 94 Ų | 94 | 120.4 Ų | 120.4 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | trans | -54.6 | 115.7 | 171.4 | -83.3 | 0 | 0 | 0 | 0 | 104.9 | P109 T113 | P109-S111 PolarHBondContact O-N 3.44Å; S111-T113 PolarHBondContact O-N 2.91Å | ||
| 112 | P | 40.7 | Very low | 56.9 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -55.7 | 128.1 | 148.9 | 26.2 | -29.9 | 0 | 0 | 0 | 104.4 | T110 V114 | T110-P112 WeakPolarHBondContact O-CD 3.11Å; P112-V114 HydrophobicContact CB-CB 4.46Å; P112-V114 PolarHBondContact O-N 3.44Å | ||
| 113 | T | 41.6 | Very low | 54.9 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -63.9 | 21.9 | 168.6 | -34.5 | 0 | 0 | 0 | 0 | 111.7 | S111 | S111-T113 PolarHBondContact O-N 2.91Š|
| 114 | V | 45.2 | Very low | 52.9 | Low | 107 Ų | 107 | 136.9 Ų | 136.9 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | trans | -106.1 | 93.4 | 168.8 | -174 | 0 | 0 | 0 | 0 | 104.5 | P112 | P112-V114 HydrophobicContact CB-CB 4.46Å; P112-V114 PolarHBondContact O-N 3.44Å | ||
| 115 | Q | 46.6 | Very low | 51.3 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | -44.7 | 136.1 | 155.8 | -71.7 | 177.8 | -72 | 0 | 0 | 107.2 | T117 | Q115-T117 VanDerWaalsContact C-N 3.27Å; Q115-T117 PolarHBondContact O-N 2.82Å | ||
| 116 | P | 42.8 | Very low | 50.1 | Low | 105 Ų | 105 | 135 Ų | 135 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -56.1 | 103.5 | 160.9 | 20.9 | -27.4 | 0 | 0 | 0 | 106.6 | Y118 | P116-Y118 HydrophobicContact CB-CD2 4.01Å; P116-Y118 PolarHBondContact O-N 3.05Å | ||
| 117 | T | 45.2 | Very low | 48.5 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -70.7 | 51.5 | 162.6 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | Q115 Q119 | Q115-T117 VanDerWaalsContact C-N 3.27Å; Q115-T117 PolarHBondContact O-N 2.82Å; T117-Q119 PolarHBondContact O-N 2.79Å | ||
| 118 | Y | 45.6 | Very low | 47.2 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 82.3 | 146.2 | -79.7 | -83.6 | 0 | 0 | 0 | 104.6 | P116 P120 | P116-Y118 HydrophobicContact CB-CD2 4.01Å; P116-Y118 PolarHBondContact O-N 3.05Å; Y118-P120 VanDerWaalsContact O-CD 3.24Å; Y118-P120 WeakPolarHBondContact O-CD 2.99Å | ||
| 119 | Q | 48.4 | Very low | 46.3 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -52.1 | 121.2 | 146.1 | -74.9 | -172.6 | -62 | 0 | 0 | 105.1 | T117 T121 | T117-Q119 PolarHBondContact O-N 2.79Å; Q119-T121 VanDerWaalsContact C-N 3.32Å; Q119-T121 PolarHBondContact O-N 2.74Å | ||
| 120 | P | 44.4 | Very low | 45.5 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -59.3 | 106.7 | 161.6 | 23.6 | -28.9 | 0 | 0 | 0 | 105.9 | Y118 W122 | Y118-P120 VanDerWaalsContact O-CD 3.24Å; Y118-P120 WeakPolarHBondContact O-CD 2.99Å; P120-W122 PolarHBondContact O-N 3.41Å | ||
| 121 | T | 47 | Very low | 45.4 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -72.8 | 19 | 171.6 | 47 | 0 | 0 | 0 | 0 | 111.9 | Q119 R123 | Q119-T121 VanDerWaalsContact C-N 3.32Å; Q119-T121 PolarHBondContact O-N 2.74Å; T121-R123 PolarHBondContact O-N 3.47Å | ||
| 122 | W | 43.8 | Very low | 45.3 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 88.9 | 161.1 | -61.5 | 111.3 | 0 | 0 | 0 | 107.8 | P120 P124 | P120-W122 PolarHBondContact O-N 3.41Å; W122-P124 VanDerWaalsContact O-CD 3.26Å; W122-P124 WeakPolarHBondContact O-CD 3.37Å | ||
| 123 | R | 45.8 | Very low | 45.3 | Very low | 222 Ų | 222 | 149.1 Ų | 149.1 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -46.6 | 121.1 | 148 | -71.5 | 176 | 175.8 | -104.6 | -0.3 | 105.9 | T121 T125 | T121-R123 PolarHBondContact O-N 3.47Å; R123-T125 VanDerWaalsContact C-N 3.25Å; R123-T125 PolarHBondContact O-N 3.48Å | ||
| 124 | P | 44.8 | Very low | 45.1 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 99.8 | 162.7 | -12.3 | 27.5 | 0 | 0 | 0 | 105.1 | W122 A126 | W122-P124 VanDerWaalsContact O-CD 3.26Å; W122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-A126 PolarHBondContact O-N 2.77Å; P124-A126 VanDerWaalsContact O-N 3.11Å | ||
| 125 | T | 47.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | trans | -56 | 119.7 | 159.4 | -6.6 | 0 | 0 | 0 | 0 | 104.9 | R123 Y127 | R123-T125 VanDerWaalsContact C-N 3.25Å; R123-T125 PolarHBondContact O-N 3.48Å; T125-Y127 WeakPolarHBondContact O-CD2 3.43Å; T125-Y127 PolarHBondContact O-N 3.33Å | ||
| 126 | A | 51.3 | Low | 45 | Very low | 98 Ų | 98 | 156.8 Ų | 156.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -45.7 | 109.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P124 | P124-A126 PolarHBondContact O-N 2.77Å; P124-A126 VanDerWaalsContact O-N 3.11Å | ||
| 127 | Y | 41.3 | Very low | 45.1 | Very low | 213 Ų | 213 | 159.7 Ų | 159.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 131 | 157.1 | -76.5 | -82 | 0 | 0 | 0 | 107.2 | T125 | T125-Y127 WeakPolarHBondContact O-CD2 3.43Å; T125-Y127 PolarHBondContact O-N 3.33Å | ||
| 128 | P | 49.8 | Very low | 45.1 | Very low | 92 Ų | 92 | 161.8 Ų | 161.8 | 60% | 0.597 | 81% | 0.812 | S | S | * | * | trans | -64.4 | 153.1 | -174.1 | 26 | -33.6 | 0 | 0 | 0 | 111.7 | N130 | P128-N130 PolarHBondContact O-N 2.93Š| ||
| 129 | P | 49.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 112.1 | 178.5 | 29.8 | -31.1 | 0 | 0 | 0 | 109.3 | ||||
| 130 | N | 41.6 | Very low | 44.9 | Very low | 147 Ų | 147 | 158.9 Ų | 158.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -117 | 95.3 | 169.3 | -78.5 | -24.6 | 0 | 0 | 0 | 110.5 | P128 | P128-N130 PolarHBondContact O-N 2.93Š| ||
| 131 | E | 43.6 | Very low | 44.9 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 41.4 | 116.2 | 135.6 | -58.1 | -161.1 | 126.4 | 0 | 0 | 119.8 | K133 | E131-K133 PolarHBondContact O-N 3.12Š| ||
| 132 | V | 45.6 | Very low | 44.7 | Very low | 146 Ų | 146 | 165.6 Ų | 165.6 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | trans | -58.6 | 110 | 162.7 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | K134 | V132-K134 PolarHBondContact O-N 3.14Š| ||
| 133 | K | 39.3 | Very low | 44.8 | Very low | 204 Ų | 204 | 161.1 Ų | 161.1 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -80.4 | 109.1 | 170.3 | -151.3 | 163.7 | -172.3 | -71.7 | 0 | 108.9 | E131 | E131-K133 PolarHBondContact O-N 3.12Š| ||
| 134 | K | 37.9 | Very low | 44.7 | Very low | 264 Ų | 264 | 155.5 Ų | 155.5 | 100% | 1.148 | 83% | 0.83 | S | S | * | * | trans | -79.5 | 0 | 161.2 | -150.9 | -175 | -172.2 | -164.2 | 0 | 109.8 | V132 | V132-K134 PolarHBondContact O-N 3.14Š|
Retrieved 134 of 134 residues in 82.3 ms
(Link to these results)