| 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 | 40.3 | Very low | 41.2 | Very low | 245 Ų | 245 | 170 Ų | 170 | 100% | 1.207 | 81% | 0.809 | S | S | * | * | 0 | 110.1 | 0 | -80.5 | 168.9 | -178.8 | 0 | 0 | 105.6 | |||||
| 2 | E | 43.4 | Very low | 41.6 | Very low | 195 Ų | 195 | 161.3 Ų | 161.3 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 122.9 | 175 | -72 | 175.5 | 167.3 | 0 | 0 | 107.7 | T4 | E2-T4 PolarHBondContact O-N 3.12Š| ||
| 3 | E | 40.7 | Very low | 42.2 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -70 | 116.7 | 172.1 | -88.3 | -178.2 | 160.9 | 0 | 0 | 109 | V5 | E3-V5 PolarHBondContact O-N 3.34Š| ||
| 4 | T | 35.9 | Very low | 43.1 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -75.8 | 113.8 | 170.6 | 31.3 | 0 | 0 | 0 | 0 | 109.5 | E2 I6 | E2-T4 PolarHBondContact O-N 3.12Å; T4-I6 PolarHBondContact O-N 2.84Å | ||
| 5 | V | 44.6 | Very low | 43.7 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -76.9 | 110.2 | 172 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | E3 R7 | E3-V5 PolarHBondContact O-N 3.34Å; V5-R7 HydrophobicContact CG1-CG 4.47Å; V5-R7 PolarHBondContact O-N 3.41Å | ||
| 6 | I | 39.6 | Very low | 44.3 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | trans | -69.8 | 115.1 | 172 | -61.6 | 167.9 | 0 | 0 | 0 | 107.8 | T4 | T4-I6 PolarHBondContact O-N 2.84Š| ||
| 7 | R | 38.2 | Very low | 45.1 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -96 | 125.8 | 172.6 | -65.8 | -175.2 | 174.3 | -162.5 | -2.1 | 108.7 | V5 W9 | V5-R7 HydrophobicContact CG1-CG 4.47Å; V5-R7 PolarHBondContact O-N 3.41Å; R7-W9 PolarHBondContact O-N 3.47Å | ||
| 8 | H | 38 | Very low | 45.7 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | trans | -76.9 | 112.3 | 173.8 | -159.5 | -77.4 | 0 | 0 | 0 | 108.6 | V10 | H8-V10 WeakPolarHBondContact ND1-CG2 3.47Å; H8-V10 PolarHBondContact O-N 3.33Å | ||
| 9 | W | 39.2 | Very low | 46 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.89 | 69% | 0.688 | S | S | * | * | trans | -83.1 | 108.5 | 169.8 | -136.7 | -12.1 | 0 | 0 | 0 | 106.9 | R7 E11 | R7-W9 PolarHBondContact O-N 3.47Å; W9-E11 PolarHBondContact O-N 3.38Å | ||
| 10 | V | 44.7 | Very low | 46.4 | Very low | 52 Ų | 52 | 137.6 Ų | 137.6 | 32% | 0.315 | 66% | 0.663 | S | S | . | * | trans | -88.4 | 90.4 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 107 | H8 T12 Y35 | H8-V10 WeakPolarHBondContact ND1-CG2 3.47Å; H8-V10 PolarHBondContact O-N 3.33Å; V10-T12 PolarHBondContact O-N 2.96Å; V10-Y35 HydrophobicContact CG1-CE1 4.1Å | ||
| 11 | E | 48.3 | Very low | 46.9 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -76.7 | 102.3 | 151.4 | -74.2 | -172.9 | 170.4 | 0 | 0 | 105.9 | W9 P13 | W9-E11 PolarHBondContact O-N 3.38Å; E11-P13 WeakPolarHBondContact O-CD 3.43Å; E11-P13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | T | 46.6 | Very low | 47.7 | Very low | 66 Ų | 66 | 129 Ų | 129 | 41% | 0.405 | 64% | 0.641 | S | S | . | * | trans | -63.4 | 115.8 | -178 | -49.7 | 0 | 0 | 0 | 0 | 108.8 | V10 V14 F20 | V10-T12 PolarHBondContact O-N 2.96Å; T12-V14 PolarHBondContact O-N 3.47Å; T12-F20 HydrophobicContact CG2-CD2 3.36Å; T12-F20 HydrophobicContact CG2-CE2 3.45Å; T12-F20 VanDerWaalsContact CG2-CE2 3.45Å; T12-F20 HydrophobicContact CG2-CG 4.37Å | ||
| 13 | P | 49 | Very low | 48.2 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 44% | 0.435 | 62% | 0.624 | S | S | . | * | trans | -57.4 | 140.3 | 174 | -18.5 | 29.5 | 0 | 0 | 0 | 109.1 | E11 R15 Y16 | E11-P13 WeakPolarHBondContact O-CD 3.43Å; E11-P13 VanDerWaalsContact O-N 3.16Å; P13-R15 PolarHBondContact O-N 3.39Å; P13-Y16 HydrophobicContact CB-CD2 4.05Å; P13-Y16 HydrophobicContact CB-CE2 4.32Å; P13-Y16 HydrophobicContact CG-CD2 3.99Å; P13-Y16 HydrophobicContact CG-CE2 4.1Å; P13-Y16 PolarHBondContact O-N 3.46Å | ||
| 14 | V | 54.5 | Low | 49 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -48 | -29.4 | 179.2 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | T12 Y16 Q17 | T12-V14 PolarHBondContact O-N 3.47Å; V14-Y16 PolarHBondContact O-N 3.22Å; V14-Y16 VanDerWaalsContact O-N 3.15Å; V14-Q17 WeakPolarHBondContact O-CB 3.32Å; V14-Q17 PolarHBondContact O-N 3Å |
| 15 | R | 51.8 | Low | 49.9 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -53 | -30.9 | 176.3 | -163.2 | -178.6 | -144.6 | 117 | 4.9 | 115 | P13 | P13-R15 PolarHBondContact O-N 3.39Š|
| 16 | Y | 53.5 | Low | 50.5 | Low | 26 Ų | 26 | 120.8 Ų | 120.8 | 10% | 0.102 | 59% | 0.592 | C | S | . | * | G | 310 helix | trans | -107.7 | 5.1 | -173.6 | -57.6 | -77.7 | 0 | 0 | 0 | 113.4 | P13 V14 E18 E19 F20 L34 | P13-Y16 HydrophobicContact CB-CD2 4.05Å; P13-Y16 HydrophobicContact CB-CE2 4.32Å; P13-Y16 HydrophobicContact CG-CD2 3.99Å; P13-Y16 HydrophobicContact CG-CE2 4.1Å; P13-Y16 PolarHBondContact O-N 3.46Å; V14-Y16 PolarHBondContact O-N 3.22Å; V14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-E18 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact O-N 3.15Å; Y16-E19 PolarHBondContact O-N 3.03Å; Y16-F20 VanDerWaalsContact CB-CE2 3.45Å; Y16-F20 HydrophobicContact CG-CE2 4.28Å; Y16-F20 WeakPolarHBondContact O-CD2 3.16Å; Y16-F20 PolarHBondContact O-N 3.39Å; Y16-L34 WeakPolarHBondContact CE1-O 3.4Å; Y16-L34 VanDerWaalsContact CZ-O 3.26Å; Y16-L34 PolarHBondContact OH-O 3.44Å |
| 17 | Q | 58.1 | Low | 51.5 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -30.3 | -172 | -148.6 | 170.5 | 12.1 | 0 | 0 | 112.6 | V14 | V14-Q17 WeakPolarHBondContact O-CB 3.32Å; V14-Q17 PolarHBondContact O-N 3Å |
| 18 | E | 56.5 | Low | 52.3 | Low | 173 Ų | 173 | 108.5 Ų | 108.5 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -31.2 | 175.6 | -62 | -174.4 | 170.5 | 0 | 0 | 113.2 | Y16 A21 | Y16-E18 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact O-N 3.15Å; E18-A21 WeakPolarHBondContact O-CB 3.11Å; E18-A21 PolarHBondContact O-N 3.17Å |
| 19 | E | 52.1 | Low | 53.2 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -35.6 | -179.3 | -65.3 | -179.3 | -174.3 | 0 | 0 | 111.7 | Y16 A21 | Y16-E19 PolarHBondContact O-N 3.03Å; E19-A21 VanDerWaalsContact C-N 3.27Å; E19-A21 PolarHBondContact O-N 3.16Å |
| 20 | F | 52.4 | Low | 54.2 | Low | 40 Ų | 40 | 102.9 Ų | 102.9 | 18% | 0.175 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.1 | 175.2 | -69.7 | -71.9 | 0 | 0 | 0 | 114 | T12 Y16 V22 Y35 | T12-F20 HydrophobicContact CG2-CD2 3.36Å; T12-F20 HydrophobicContact CG2-CE2 3.45Å; T12-F20 VanDerWaalsContact CG2-CE2 3.45Å; T12-F20 HydrophobicContact CG2-CG 4.37Å; Y16-F20 VanDerWaalsContact CB-CE2 3.45Å; Y16-F20 HydrophobicContact CG-CE2 4.28Å; Y16-F20 WeakPolarHBondContact O-CD2 3.16Å; Y16-F20 PolarHBondContact O-N 3.39Å; F20-V22 PolarHBondContact O-N 3.01Å; F20-Y35 HydrophobicContact CE2-CE1 4.22Å; F20-Y35 AromaticContact CZ-CE1 3.68Å; F20-Y35 HydrophobicContact CZ-CE1 3.68Å; F20-Y35 AromaticContact CZ-CZ 3.76Å; F20-Y35 WeakPolarHBondContact CZ-OH 3.42Å |
| 21 | A | 56.7 | Low | 55.1 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E18 E19 | E18-A21 WeakPolarHBondContact O-CB 3.11Å; E18-A21 PolarHBondContact O-N 3.17Å; E19-A21 VanDerWaalsContact C-N 3.27Å; E19-A21 PolarHBondContact O-N 3.16Å |
| 22 | V | 57.2 | Low | 55.4 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 72% | 0.721 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -104.8 | -20 | -168.5 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | F20 | F20-V22 PolarHBondContact O-N 3.01Š|
| 23 | Q | 54.4 | Low | 56 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -150.8 | 156.4 | -176.2 | -73.5 | -172.7 | 0.8 | 0 | 0 | 113.9 | F28 | Q23-F28 HydrophobicContact CB-CE2 3.83Å; Q23-F28 VanDerWaalsContact OE1-CE2 3.25Å |
| 24 | E | 58.7 | Low | 56.3 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 73% | 0.729 | 52% | 0.52 | S | S | * | . | trans | -58.2 | 125.4 | -178 | -79.2 | -165.5 | 166 | 0 | 0 | 112.4 | E26 A27 | E24-E26 PolarHBondContact O-N 3.46Å; E24-A27 PolarHBondContact O-N 2.58Å; E24-A27 VanDerWaalsContact O-N 3.16Å | ||
| 25 | P | 54.3 | Low | 56.6 | Low | 78 Ų | 78 | 96.7 Ų | 96.7 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -56.2 | -24.6 | -176.5 | -26.1 | 32.3 | 0 | 0 | 0 | 115.2 | ||
| 26 | E | 57.8 | Low | 57.1 | Low | 118 Ų | 118 | 92.9 Ų | 92.9 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -68.1 | -32.7 | -178.3 | -66.6 | -61.2 | 138.8 | 0 | 0 | 113 | E24 F28 K29 | E24-E26 PolarHBondContact O-N 3.46Å; E26-F28 PolarHBondContact O-N 2.88Å; E26-F28 VanDerWaalsContact O-N 3.17Å; E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 WeakPolarHBondContact OE1-CE 3.29Å; E26-K29 IonicContact OE1-NZ 3.35Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 VanDerWaalsContact OE2-CD 3.29Å; E26-K29 WeakPolarHBondContact OE2-CD 3.06Å; E26-K29 WeakPolarHBondContact OE2-CE 3.29Å; E26-K29 IonicContact OE2-NZ 3.46Å; E26-K29 PolarHBondContact OE2-NZ 3.48Å |
| 27 | A | 59.2 | Low | 57.6 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E24 | E24-A27 PolarHBondContact O-N 2.58Å; E24-A27 VanDerWaalsContact O-N 3.16Å |
| 28 | F | 55.2 | Low | 57.8 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 23% | 0.232 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -113.2 | 3.1 | -171.5 | -67.8 | -62.3 | 0 | 0 | 0 | 114.4 | Q23 E26 L30 D31 L34 | Q23-F28 HydrophobicContact CB-CE2 3.83Å; Q23-F28 VanDerWaalsContact OE1-CE2 3.25Å; E26-F28 PolarHBondContact O-N 2.88Å; E26-F28 VanDerWaalsContact O-N 3.17Å; F28-L30 PolarHBondContact O-N 3.1Å; F28-L30 VanDerWaalsContact O-N 3.1Å; F28-D31 HydrophobicContact CD1-CB 4.44Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-D31 VanDerWaalsContact O-N 3.08Å; F28-L34 HydrophobicContact CB-CD1 3.6Å; F28-L34 HydrophobicContact CD1-CD1 3.34Å; F28-L34 HydrophobicContact CE1-CD1 4.12Å; F28-L34 HydrophobicContact CG-CD1 3.6Å |
| 29 | K | 57.9 | Low | 58 | Low | 105 Ų | 105 | 84.5 Ų | 84.5 | 46% | 0.457 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.9 | 179.2 | -77.1 | -174.3 | 171.3 | 175.3 | 0 | 114.1 | E26 | E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 WeakPolarHBondContact OE1-CE 3.29Å; E26-K29 IonicContact OE1-NZ 3.35Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 VanDerWaalsContact OE2-CD 3.29Å; E26-K29 WeakPolarHBondContact OE2-CD 3.06Å; E26-K29 WeakPolarHBondContact OE2-CE 3.29Å; E26-K29 IonicContact OE2-NZ 3.46Å; E26-K29 PolarHBondContact OE2-NZ 3.48Å |
| 30 | L | 59.7 | Low | 58.1 | Low | 151 Ų | 151 | 80 Ų | 80 | 79% | 0.791 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -9 | -178.5 | -62.6 | 174 | 0 | 0 | 0 | 112.9 | F28 H32 | F28-L30 PolarHBondContact O-N 3.1Å; F28-L30 VanDerWaalsContact O-N 3.1Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-CD2 3.28Å; L30-H32 PolarHBondContact O-N 3.15Å; L30-H32 VanDerWaalsContact O-N 3.08Å |
| 31 | D | 64.2 | Low | 58.1 | Low | 59 Ų | 59 | 80.9 Ų | 80.9 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | trans | -85.8 | 82 | 175.1 | -169.2 | -5.4 | 0 | 0 | 0 | 110.1 | F28 S33 L34 | F28-D31 HydrophobicContact CD1-CB 4.44Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-D31 VanDerWaalsContact O-N 3.08Å; D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 VanDerWaalsContact O-N 3.08Å; D31-S33 WeakPolarHBondContact OD1-CA 3.05Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.95Å; D31-S33 PolarHBondContact OD1-OG 2.77Å; D31-S33 PolarHBondContact OD2-OG 2.88Å; D31-L34 HydrophobicContact CB-CD1 3.94Å; D31-L34 HydrophobicContact CB-CG 4.16Å; D31-L34 PolarHBondContact O-N 3.15Å | ||
| 32 | H | 54 | Low | 57.8 | Low | 125 Ų | 125 | 79 Ų | 79 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13.3 | 175.8 | -62.2 | -69.1 | 0 | 0 | 0 | 113.2 | L30 L34 A36 | L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-CD2 3.28Å; L30-H32 PolarHBondContact O-N 3.15Å; L30-H32 VanDerWaalsContact O-N 3.08Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-A36 PolarHBondContact O-N 2.79Å |
| 33 | S | 59.4 | Low | 57.4 | Low | 59 Ų | 59 | 76.3 Ų | 76.3 | 41% | 0.413 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.1 | 178.9 | 82.7 | 0 | 0 | 0 | 0 | 113.2 | D31 Y35 A36 | D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 VanDerWaalsContact O-N 3.08Å; D31-S33 WeakPolarHBondContact OD1-CA 3.05Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.95Å; D31-S33 PolarHBondContact OD1-OG 2.77Å; D31-S33 PolarHBondContact OD2-OG 2.88Å; S33-Y35 VanDerWaalsContact C-N 3.35Å; S33-A36 PolarHBondContact O-N 2.63Å |
| 34 | L | 55.9 | Low | 56.9 | Low | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -36.4 | 176.4 | -65.8 | 172.7 | 0 | 0 | 0 | 112.1 | Y16 F28 D31 H32 | Y16-L34 WeakPolarHBondContact CE1-O 3.4Å; Y16-L34 VanDerWaalsContact CZ-O 3.26Å; Y16-L34 PolarHBondContact OH-O 3.44Å; F28-L34 HydrophobicContact CB-CD1 3.6Å; F28-L34 HydrophobicContact CD1-CD1 3.34Å; F28-L34 HydrophobicContact CE1-CD1 4.12Å; F28-L34 HydrophobicContact CG-CD1 3.6Å; D31-L34 HydrophobicContact CB-CD1 3.94Å; D31-L34 HydrophobicContact CB-CG 4.16Å; D31-L34 PolarHBondContact O-N 3.15Å; H32-L34 VanDerWaalsContact C-N 3.34Å |
| 35 | Y | 59.4 | Low | 56.2 | Low | 58 Ų | 58 | 70.7 Ų | 70.7 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -91.7 | -5.1 | -179.3 | -49.9 | -81.4 | 0 | 0 | 0 | 112.9 | V10 F20 S33 L37 | V10-Y35 HydrophobicContact CG1-CE1 4.1Å; F20-Y35 HydrophobicContact CE2-CE1 4.22Å; F20-Y35 AromaticContact CZ-CE1 3.68Å; F20-Y35 HydrophobicContact CZ-CE1 3.68Å; F20-Y35 AromaticContact CZ-CZ 3.76Å; F20-Y35 WeakPolarHBondContact CZ-OH 3.42Å; S33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 2.98Å |
| 36 | A | 62.3 | Low | 55.9 | Low | 56 Ų | 56 | 75 Ų | 75 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -76.5 | 121.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | H32 S33 | H32-A36 PolarHBondContact O-N 2.79Å; S33-A36 PolarHBondContact O-N 2.63Å |
| 37 | L | 63.9 | Low | 55.2 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -57 | 140.7 | 168.7 | -67.4 | 175 | 0 | 0 | 0 | 109.8 | Y35 G39 L73 L74 D75 I137 | Y35-L37 PolarHBondContact O-N 2.98Å; L37-G39 PolarHBondContact O-N 2.61Å; L37-L73 HydrophobicContact CB-CB 4.08Å; L37-L73 HydrophobicContact CD1-CB 4.29Å; L37-L73 HydrophobicContact CD2-CB 4.38Å; L37-L73 HydrophobicContact CG-CB 4.5Å; L37-L74 VanDerWaalsContact CD1-C 3.43Å; L37-D75 HydrophobicContact CD1-CB 3.98Å; L37-I137 HydrophobicContact CD1-CD1 3.91Å; L37-I137 HydrophobicContact CD2-CD1 4.12Å |
| 38 | P | 62.4 | Low | 54.5 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 120.7 | 177.9 | 21.5 | -30.9 | 0 | 0 | 0 | 109.5 | L73 | P38-L73 HydrophobicContact CG-CB 4.38Å; P38-L73 HydrophobicContact CG-CD1 4.14Å; P38-L73 HydrophobicContact CG-CD2 4Å; P38-L73 HydrophobicContact CG-CG 4.39Å |
| 39 | G | 60.9 | Low | 54 | Low | 43 Ų | 43 | 85.6 Ų | 85.6 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | trans | -66.2 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L37 S41 | L37-G39 PolarHBondContact O-N 2.61Å; G39-S41 PolarHBondContact O-N 3.45Å | ||
| 40 | P | 55 | Low | 53.2 | Low | 24 Ų | 24 | 88.4 Ų | 88.4 | 16% | 0.156 | 47% | 0.465 | C | S | . | . | trans | -51.4 | 113.1 | 178.4 | 24 | -36.1 | 0 | 0 | 0 | 109.9 | T42 L45 F70 Q71 V72 Y117 | P40-T42 PolarHBondContact O-N 3.36Å; P40-L45 HydrophobicContact CG-CD1 4.43Å; P40-L45 WeakPolarHBondContact O-CD1 3.19Å; P40-F70 HydrophobicContact CB-CE2 3.95Å; P40-Q71 WeakPolarHBondContact CA-O 2.93Å; P40-V72 HydrophobicContact CB-CG1 3.55Å; P40-V72 HydrophobicContact CG-CG1 4.25Å; P40-Y117 HydrophobicContact CB-CD1 4.19Å; P40-Y117 HydrophobicContact CG-CD1 3.64Å; P40-Y117 HydrophobicContact CG-CE1 3.93Å | ||
| 41 | S | 52.7 | Low | 52.4 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | trans | -73.3 | 75.8 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 109 | G39 Q71 | G39-S41 PolarHBondContact O-N 3.45Å; S41-Q71 PolarHBondContact N-O 3.38Å | ||
| 42 | T | 48.5 | Very low | 51.5 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 26% | 0.258 | 48% | 0.48 | S | S | . | . | trans | -84.2 | 138 | 159.7 | 63.8 | 0 | 0 | 0 | 0 | 106.9 | P40 A44 L45 | P40-T42 PolarHBondContact O-N 3.36Å; T42-A44 PolarHBondContact O-N 3.25Å; T42-L45 PolarHBondContact O-N 3.06Å | ||
| 43 | A | 49.3 | Very low | 51.2 | Low | 63 Ų | 63 | 92.5 Ų | 92.5 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -48.6 | -27.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L45 T68 | A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 2.94Å; A43-T68 HydrophobicContact CB-CG2 4.13Å |
| 44 | A | 44.7 | Very low | 50.4 | Low | 81 Ų | 81 | 93.7 Ų | 93.7 | 67% | 0.669 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.7 | -28 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T42 | T42-A44 PolarHBondContact O-N 3.25Å |
| 45 | L | 43.3 | Very low | 49.7 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -91.2 | -20 | -177.3 | -73.7 | 167.9 | 0 | 0 | 0 | 113.8 | P40 T42 A43 N47 R48 | P40-L45 HydrophobicContact CG-CD1 4.43Å; P40-L45 WeakPolarHBondContact O-CD1 3.19Å; T42-L45 PolarHBondContact O-N 3.06Å; A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 2.94Å; L45-N47 PolarHBondContact O-N 3.49Å; L45-R48 PolarHBondContact O-N 3.1Å; L45-R48 VanDerWaalsContact O-N 3.1Å |
| 46 | R | 47.3 | Very low | 49 | Very low | 168 Ų | 168 | 100.6 Ų | 100.6 | 63% | 0.634 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.2 | -32 | 172.1 | -99.1 | 177.5 | 75.6 | -168.3 | 3.7 | 112.1 | R48 | R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.43Å |
| 47 | N | 43.1 | Very low | 47.9 | Very low | 107 Ų | 107 | 101.7 Ų | 101.7 | 57% | 0.572 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -23.2 | 179.3 | -92.5 | 2.3 | 0 | 0 | 0 | 113.9 | L45 R50 I51 | L45-N47 PolarHBondContact O-N 3.49Å; N47-R50 PolarHBondContact O-N 3.08Å; N47-I51 WeakPolarHBondContact O-CG1 3.49Å |
| 48 | R | 44.7 | Very low | 46.6 | Very low | 186 Ų | 186 | 104.6 Ų | 104.6 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.5 | -28.1 | -178.5 | -158.9 | 176.3 | -67.3 | 172 | -0.4 | 112.8 | L45 R46 R50 | L45-R48 PolarHBondContact O-N 3.1Å; L45-R48 VanDerWaalsContact O-N 3.1Å; R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.43Å; R48-R50 VanDerWaalsContact C-N 3.31Å |
| 49 | R | 44.8 | Very low | 45.9 | Very low | 179 Ų | 179 | 110.2 Ų | 110.2 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.5 | -19.6 | 174.5 | -144.2 | 176.3 | -170 | 171.1 | 3.7 | 112.6 | T52 | R49-T52 PolarHBondContact O-OG1 2.96Å |
| 50 | R | 41.8 | Very low | 44.7 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.1 | -22.7 | 177.4 | -108.6 | -177.8 | 170.4 | 173.9 | -4.3 | 114.5 | N47 R48 T52 E53 S54 | N47-R50 PolarHBondContact O-N 3.08Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R50-T52 VanDerWaalsContact C-N 3.29Å; R50-T52 PolarHBondContact O-N 3.08Å; R50-E53 PolarHBondContact O-N 3.08Å; R50-S54 PolarHBondContact O-OG 2.78Å |
| 51 | I | 43.7 | Very low | 44.4 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 70% | 0.703 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -23.9 | -175.4 | -67.3 | 166.5 | 0 | 0 | 0 | 111.8 | N47 | N47-I51 WeakPolarHBondContact O-CG1 3.49Š|
| 52 | T | 43.8 | Very low | 43.6 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.8 | 177.2 | 52 | 0 | 0 | 0 | 0 | 114.2 | R49 R50 | R49-T52 PolarHBondContact O-OG1 2.96Å; R50-T52 VanDerWaalsContact C-N 3.29Å; R50-T52 PolarHBondContact O-N 3.08Å |
| 53 | E | 48.5 | Very low | 43.3 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -123.8 | 10.1 | -173.4 | -71.1 | -174.6 | 158.9 | 0 | 0 | 114.8 | R50 | R50-E53 PolarHBondContact O-N 3.08Š|
| 54 | S | 41.6 | Very low | 43 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | trans | -121.7 | 68.2 | -170.5 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | R50 | R50-S54 PolarHBondContact O-OG 2.78Š| ||
| 55 | T | 42.8 | Very low | 43.2 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 91% | 0.908 | 74% | 0.739 | S | S | * | * | trans | -109.1 | 72.1 | 148.5 | 46.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 56 | A | 45 | Very low | 43.3 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 176.6 | 103.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 57 | G | 37.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 82.4 | 131.3 | 137 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 58 | A | 37.2 | Very low | 44 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 86.5 | 100.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 59 | E | 46.7 | Very low | 45.5 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -49.4 | 135 | 157.2 | -55.8 | 176.8 | 152.8 | 0 | 0 | 112.5 | ||||
| 60 | K | 35.9 | Very low | 47.4 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -147.8 | 114.4 | 138.3 | -74.2 | -162.3 | 178.9 | 176.9 | 0 | 109.6 | ||||
| 61 | S | 50 | Low | 49.7 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | -61.7 | 125.1 | 159.8 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | S | 34.6 | Very low | 51.9 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | trans | -139.5 | 115.6 | 159.4 | -64.4 | 0 | 0 | 0 | 0 | 107.4 | E64 | S62-E64 PolarHBondContact O-N 3.38Å; S62-E64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | Q | 43.7 | Very low | 54 | Low | 191 Ų | 191 | 113.1 Ų | 113.1 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | trans | -58.8 | 99.7 | 172.6 | -169.8 | 175.1 | -10.2 | 0 | 0 | 107.9 | ||||
| 64 | E | 41.3 | Very low | 56.1 | Low | 158 Ų | 158 | 105.3 Ų | 105.3 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | trans | -114.6 | 69 | 167 | -73.8 | 178.3 | -175.5 | 0 | 0 | 107.6 | S62 E66 | S62-E64 PolarHBondContact O-N 3.38Å; S62-E64 VanDerWaalsContact O-N 3.12Å; E64-E66 PolarHBondContact O-N 3.4Å | ||
| 65 | E | 48.8 | Very low | 58.4 | Low | 181 Ų | 181 | 106 Ų | 106 | 85% | 0.846 | 61% | 0.605 | S | S | * | * | trans | -78.8 | 94.7 | 151.6 | -78 | -171.1 | 172.8 | 0 | 0 | 106.9 | ||||
| 66 | E | 45.3 | Very low | 60.8 | Low | 174 Ų | 174 | 99 Ų | 99 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 174.6 | 131.2 | 145.6 | -104.5 | 178.4 | 149.7 | 0 | 0 | 109.8 | E64 | E64-E66 PolarHBondContact O-N 3.4Š|
| 67 | N | 50.1 | Low | 63.1 | Low | 143 Ų | 143 | 98.3 Ų | 98.3 | 77% | 0.765 | 55% | 0.547 | S | S | * | . | trans | 77.9 | 53.5 | 177.5 | -57.1 | -33.2 | 0 | 0 | 0 | 117.4 | S69 | N67-S69 PolarHBondContact O-N 3.42Š| ||
| 68 | T | 55.8 | Low | 65.8 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | trans | -73.5 | 84.9 | 155 | -45.6 | 0 | 0 | 0 | 0 | 108.7 | A43 F70 | A43-T68 HydrophobicContact CB-CG2 4.13Å; T68-F70 PolarHBondContact O-N 3.29Å | ||
| 69 | S | 75.8 | Confident | 68.5 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | trans | -68.8 | 113.2 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | N67 Q71 | N67-S69 PolarHBondContact O-N 3.42Å; S69-Q71 PolarHBondContact O-N 3.44Å | ||
| 70 | F | 86.3 | Confident | 70.6 | Confident | 2 Ų | 2 | 92.2 Ų | 92.2 | 1% | 0.009 | 47% | 0.474 | C | S | . | . | trans | -70.2 | 127.2 | 171.2 | 174.1 | -86 | 0 | 0 | 0 | 109.5 | P40 T68 V72 L93 L119 P120 L128 E141 M142 | P40-F70 HydrophobicContact CB-CE2 3.95Å; T68-F70 PolarHBondContact O-N 3.29Å; F70-V72 HydrophobicContact CE1-CG1 4.2Å; F70-V72 HydrophobicContact CE1-CG2 4.28Å; F70-V72 HydrophobicContact CE2-CG1 4.29Å; F70-V72 HydrophobicContact CZ-CG1 3.74Å; F70-V72 HydrophobicContact CZ-CG2 4.42Å; F70-L93 HydrophobicContact CE1-CD2 3.67Å; F70-L93 HydrophobicContact CZ-CD2 3.73Å; F70-L119 HydrophobicContact CD1-CD2 4.08Å; F70-L119 HydrophobicContact CD2-CD2 4.33Å; F70-L119 HydrophobicContact CE1-CD2 3.81Å; F70-L119 HydrophobicContact CE2-CD2 4.06Å; F70-L119 HydrophobicContact CG-CD2 4.34Å; F70-L119 HydrophobicContact CZ-CD2 3.8Å; F70-P120 HydrophobicContact CB-CG 3.95Å; F70-P120 HydrophobicContact CD2-CG 4.4Å; F70-L128 HydrophobicContact CD1-CD2 4.27Å; F70-E141 VanDerWaalsContact O-CA 3.29Å; F70-E141 WeakPolarHBondContact O-CA 3.44Å; F70-M142 HydrophobicContact CB-CG 3.85Å; F70-M142 HydrophobicContact CB-SD 3.54Å; F70-M142 VanDerWaalsContact CB-SD 3.54Å; F70-M142 PolarHBondContact O-N 2.8Å | ||
| 71 | Q | 88.4 | Confident | 73.3 | Confident | 74 Ų | 74 | 85.8 Ų | 85.8 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137.4 | 173.3 | -179.4 | -178.3 | 75.7 | 0 | 0 | 109.6 | P40 S41 S69 L73 V139 V140 E141 | P40-Q71 WeakPolarHBondContact CA-O 2.93Å; S41-Q71 PolarHBondContact N-O 3.38Å; S69-Q71 PolarHBondContact O-N 3.44Å; Q71-L73 HydrophobicContact CG-CD1 3.68Å; Q71-V139 HydrophobicContact CG-CG1 4.19Å; Q71-V140 CarbonylContact C-O 3.58Å; Q71-V140 WeakPolarHBondContact CA-O 3.3Å; Q71-E141 HydrophobicContact CB-CB 4.09Å; Q71-E141 HydrophobicContact CG-CB 4.04Å; Q71-E141 PolarHBondContact NE2-OE2 3.42Å |
| 72 | V | 89.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.5 | 170.6 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | P40 F70 L93 I95 Y117 V139 V140 | P40-V72 HydrophobicContact CB-CG1 3.55Å; P40-V72 HydrophobicContact CG-CG1 4.25Å; F70-V72 HydrophobicContact CE1-CG1 4.2Å; F70-V72 HydrophobicContact CE1-CG2 4.28Å; F70-V72 HydrophobicContact CE2-CG1 4.29Å; F70-V72 HydrophobicContact CZ-CG1 3.74Å; F70-V72 HydrophobicContact CZ-CG2 4.42Å; V72-L93 HydrophobicContact CG2-CD2 4.05Å; V72-I95 HydrophobicContact CG2-CD1 4.4Å; V72-Y117 HydrophobicContact CB-CE2 4.32Å; V72-Y117 HydrophobicContact CG1-CD1 4.05Å; V72-Y117 HydrophobicContact CG1-CD2 4.1Å; V72-Y117 HydrophobicContact CG1-CE1 4.11Å; V72-Y117 HydrophobicContact CG1-CE2 4.18Å; V72-Y117 HydrophobicContact CG1-CG 4Å; V72-Y117 HydrophobicContact CG2-CD2 4.33Å; V72-Y117 HydrophobicContact CG2-CE2 4.28Å; V72-V139 WeakPolarHBondContact O-CA 3.38Å; V72-V140 HydrophobicContact CG2-CB 3.69Å; V72-V140 HydrophobicContact CG2-CG2 4.35Å; V72-V140 PolarHBondContact N-O 2.84Å; V72-V140 PolarHBondContact O-N 3.35Å |
| 73 | L | 89.7 | Confident | 78.2 | Confident | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.4 | 172.4 | -79.6 | 68.5 | 0 | 0 | 0 | 109.4 | L37 P38 Q71 I137 L138 V139 | L37-L73 HydrophobicContact CB-CB 4.08Å; L37-L73 HydrophobicContact CD1-CB 4.29Å; L37-L73 HydrophobicContact CD2-CB 4.38Å; L37-L73 HydrophobicContact CG-CB 4.5Å; P38-L73 HydrophobicContact CG-CB 4.38Å; P38-L73 HydrophobicContact CG-CD1 4.14Å; P38-L73 HydrophobicContact CG-CD2 4Å; P38-L73 HydrophobicContact CG-CG 4.39Å; Q71-L73 HydrophobicContact CG-CD1 3.68Å; L73-I137 HydrophobicContact CB-CG2 4.22Å; L73-I137 HydrophobicContact CD2-CG2 4.29Å; L73-I137 HydrophobicContact CG-CG2 4.25Å; L73-L138 CarbonylContact C-O 3.58Å; L73-L138 WeakPolarHBondContact CA-O 3.25Å; L73-V139 HydrophobicContact CD1-CG1 4.21Å; L73-V139 HydrophobicContact CG-CG2 4.26Å |
| 74 | L | 91.3 | Very high | 80.6 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132 | 179.6 | -67.1 | -177.3 | 0 | 0 | 0 | 111.3 | L37 V76 I95 F113 Y117 I137 L138 | L37-L74 VanDerWaalsContact CD1-C 3.43Å; L74-V76 HydrophobicContact CB-CG1 4.05Å; L74-V76 PolarHBondContact O-N 3.32Å; L74-I95 HydrophobicContact CD1-CB 4.17Å; L74-I95 HydrophobicContact CD1-CD1 3.52Å; L74-I95 HydrophobicContact CD1-CG1 4.43Å; L74-I95 HydrophobicContact CD1-CG2 3.83Å; L74-F113 HydrophobicContact CD1-CE2 4.25Å; L74-F113 HydrophobicContact CD1-CZ 4.36Å; L74-Y117 HydrophobicContact CD1-CE2 4.47Å; L74-Y117 HydrophobicContact CD2-CE2 4.41Å; L74-Y117 VanDerWaalsContact CD2-OH 3.23Å; L74-Y117 WeakPolarHBondContact CD2-OH 3.34Å; L74-I137 CarbonylContact O-C 3.54Å; L74-I137 WeakPolarHBondContact O-CA 3.43Å; L74-L138 HydrophobicContact CB-CB 4.29Å; L74-L138 HydrophobicContact CD1-CD2 4.39Å; L74-L138 PolarHBondContact N-O 3.46Å; L74-L138 PolarHBondContact O-N 2.96Å |
| 75 | D | 91.2 | Very high | 83.2 | Confident | 99 Ų | 99 | 72 Ų | 72 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 116.2 | 165.5 | -175.8 | -14 | 0 | 0 | 0 | 108 | L37 V77 I137 | L37-D75 HydrophobicContact CD1-CB 3.98Å; D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 VanDerWaalsContact OD1-CG1 3.25Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.14Å; D75-V77 PolarHBondContact OD1-N 2.8Å; D75-I137 HydrophobicContact CB-CD1 4.32Å |
| 76 | V | 93 | Very high | 85.4 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | trans | -128 | 23.5 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | L74 Q78 F79 I84 F113 F132 G136 L138 | L74-V76 HydrophobicContact CB-CG1 4.05Å; L74-V76 PolarHBondContact O-N 3.32Å; V76-Q78 PolarHBondContact O-N 2.85Å; V76-F79 HydrophobicContact CB-CD2 4.45Å; V76-F79 PolarHBondContact O-N 3.37Å; V76-F79 VanDerWaalsContact O-O 3.11Å; V76-I84 HydrophobicContact CB-CD1 3.89Å; V76-I84 HydrophobicContact CG1-CD1 4.11Å; V76-I84 HydrophobicContact CG2-CD1 3.92Å; V76-F113 HydrophobicContact CG1-CE1 3.99Å; V76-F113 HydrophobicContact CG1-CZ 3.84Å; V76-F132 HydrophobicContact CB-CE2 4.42Å; V76-F132 HydrophobicContact CG2-CD2 3.94Å; V76-F132 HydrophobicContact CG2-CE2 3.36Å; V76-F132 HydrophobicContact CG2-CZ 4.07Å; V76-G136 CarbonylContact C-O 3.56Å; V76-G136 WeakPolarHBondContact CG2-O 3.22Å; V76-G136 PolarHBondContact N-O 2.79Å; V76-L138 HydrophobicContact CG1-CB 4.05Å; V76-L138 HydrophobicContact CG1-CD2 4.47Å; V76-L138 HydrophobicContact CG2-CB 3.71Å | ||
| 77 | V | 93.3 | Very high | 87.6 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.4 | -176 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | D75 F79 G136 | D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 VanDerWaalsContact OD1-CG1 3.25Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.14Å; D75-V77 PolarHBondContact OD1-N 2.8Å; V77-F79 VanDerWaalsContact C-N 3.3Å; V77-F79 PolarHBondContact O-N 3.42Å; V77-G136 PolarHBondContact N-O 2.76Å |
| 78 | Q | 93.2 | Very high | 89.6 | Confident | 96 Ų | 96 | 57.1 Ų | 57.1 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.1 | 179 | -60.1 | -64.3 | -34.1 | 0 | 0 | 113.9 | V76 R111 | V76-Q78 PolarHBondContact O-N 2.85Å; Q78-R111 VanDerWaalsContact OE1-CZ 3.26Å |
| 79 | F | 93.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -126.8 | 143.6 | -176.3 | -60.5 | -87.8 | 0 | 0 | 0 | 110.5 | V76 V77 D83 I84 A97 H99 R111 F113 | V76-F79 HydrophobicContact CB-CD2 4.45Å; V76-F79 PolarHBondContact O-N 3.37Å; V76-F79 VanDerWaalsContact O-O 3.11Å; V77-F79 VanDerWaalsContact C-N 3.3Å; V77-F79 PolarHBondContact O-N 3.42Å; F79-D83 HydrophobicContact CB-CB 4.35Å; F79-D83 HydrophobicContact CD1-CB 4.36Å; F79-I84 HydrophobicContact CB-CD1 4.23Å; F79-I84 HydrophobicContact CB-CG1 4.16Å; F79-A97 HydrophobicContact CB-CB 4.28Å; F79-A97 HydrophobicContact CD1-CB 3.5Å; F79-A97 VanDerWaalsContact CD1-CB 3.5Å; F79-A97 HydrophobicContact CD2-CB 4.03Å; F79-A97 HydrophobicContact CE1-CB 3.72Å; F79-A97 HydrophobicContact CE2-CB 4.24Å; F79-A97 HydrophobicContact CG-CB 3.66Å; F79-A97 HydrophobicContact CZ-CB 4.09Å; F79-H99 AromaticContact CD1-CD2 3.84Å; F79-H99 AromaticContact CE1-CD2 3.9Å; F79-R111 HydrophobicContact CE1-CB 3.9Å; F79-R111 HydrophobicContact CZ-CB 3.66Å; F79-F113 HydrophobicContact CD2-CD1 4.24Å; F79-F113 AromaticContact CD2-CE1 3.93Å; F79-F113 HydrophobicContact CD2-CE1 3.93Å; F79-F113 AromaticContact CE2-CD1 3.51Å; F79-F113 HydrophobicContact CE2-CD1 3.51Å; F79-F113 AromaticContact CE2-CE1 3.67Å; F79-F113 HydrophobicContact CE2-CE1 3.67Å; F79-F113 AromaticContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CE1 4.17Å |
| 80 | R | 91.5 | Very high | 91.8 | Very high | 126 Ų | 126 | 63.1 Ų | 63.1 | 48% | 0.475 | 31% | 0.309 | S | S | . | . | trans | -83.7 | 158.5 | 170 | -56.2 | 175.4 | -59.4 | 167.7 | 10.5 | 109.7 | E82 D83 | R80-E82 VanDerWaalsContact CB-OE2 3.27Å; R80-E82 WeakPolarHBondContact CB-OE2 3.35Å; R80-E82 PolarHBondContact O-N 2.92Å; R80-E82 VanDerWaalsContact O-N 3.14Å; R80-D83 WeakPolarHBondContact CB-OD2 3.17Å; R80-D83 IonicContact CZ-OD1 2.76Å; R80-D83 PolarHBondContact N-OD2 2.85Å; R80-D83 IonicContact NE-OD1 3.66Å; R80-D83 PolarHBondContact NE-OD1 2.95Å; R80-D83 IonicContact NE-OD2 2.96Å; R80-D83 PolarHBondContact NE-OD2 3.09Å; R80-D83 IonicContact NH2-OD1 2.77Å; R80-D83 PolarHBondContact NH2-OD1 3.16Å; R80-D83 WeakPolarHBondContact O-CB 3.42Å; R80-D83 PolarHBondContact O-N 2.8Å | ||
| 81 | P | 91.9 | Very high | 91.9 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -51.8 | -37.6 | 175.5 | -28.2 | 36.5 | 0 | 0 | 0 | 113.5 | D83 I84 F132 | P81-D83 PolarHBondContact O-N 2.91Å; P81-I84 PolarHBondContact O-N 3.04Å; P81-F132 HydrophobicContact CG-CD1 4.1Å; P81-F132 HydrophobicContact CG-CD2 4.19Å; P81-F132 HydrophobicContact CG-CE1 4.18Å; P81-F132 HydrophobicContact CG-CE2 4.24Å; P81-F132 HydrophobicContact CG-CG 4.11Å; P81-F132 HydrophobicContact CG-CZ 4.25Å |
| 82 | E | 94.2 | Very high | 92.1 | Very high | 142 Ų | 142 | 65.8 Ų | 65.8 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.7 | -179.4 | -51.9 | 74.2 | -154.4 | 0 | 0 | 113.3 | R80 I84 | R80-E82 VanDerWaalsContact CB-OE2 3.27Å; R80-E82 WeakPolarHBondContact CB-OE2 3.35Å; R80-E82 PolarHBondContact O-N 2.92Å; R80-E82 VanDerWaalsContact O-N 3.14Å; E82-I84 VanDerWaalsContact C-N 3.25Å |
| 83 | D | 94.2 | Very high | 92.3 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -83 | -6.5 | 177.3 | -56 | -31.3 | 0 | 0 | 0 | 111.5 | F79 R80 P81 A97 Q98 R102 | F79-D83 HydrophobicContact CB-CB 4.35Å; F79-D83 HydrophobicContact CD1-CB 4.36Å; R80-D83 WeakPolarHBondContact CB-OD2 3.17Å; R80-D83 IonicContact CZ-OD1 2.76Å; R80-D83 PolarHBondContact N-OD2 2.85Å; R80-D83 IonicContact NE-OD1 3.66Å; R80-D83 PolarHBondContact NE-OD1 2.95Å; R80-D83 IonicContact NE-OD2 2.96Å; R80-D83 PolarHBondContact NE-OD2 3.09Å; R80-D83 IonicContact NH2-OD1 2.77Å; R80-D83 PolarHBondContact NH2-OD1 3.16Å; R80-D83 WeakPolarHBondContact O-CB 3.42Å; R80-D83 PolarHBondContact O-N 2.8Å; P81-D83 PolarHBondContact O-N 2.91Å; D83-A97 CarbonylContact O-C 3.52Å; D83-A97 VanDerWaalsContact O-CA 3.29Å; D83-A97 WeakPolarHBondContact O-CA 3.49Å; D83-Q98 WeakPolarHBondContact CB-O 3.37Å; D83-Q98 PolarHBondContact O-N 3.25Å; D83-R102 IonicContact OD1-CZ 2.61Å; D83-R102 IonicContact OD1-NH2 3.23Å; D83-R102 PolarHBondContact OD1-NH2 2.85Å; D83-R102 IonicContact OD2-CZ 2.7Å; D83-R102 VanDerWaalsContact OD2-CZ 3.23Å; D83-R102 IonicContact OD2-NH1 3.88Å; D83-R102 PolarHBondContact OD2-NH1 2.85Å; D83-R102 IonicContact OD2-NH2 2.79Å; D83-R102 PolarHBondContact OD2-NH2 2.84Å |
| 84 | I | 94.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.7 | -171.5 | -57.8 | 171 | 0 | 0 | 0 | 110.9 | V76 F79 P81 E82 I86 I95 K96 A97 F132 L138 | V76-I84 HydrophobicContact CB-CD1 3.89Å; V76-I84 HydrophobicContact CG1-CD1 4.11Å; V76-I84 HydrophobicContact CG2-CD1 3.92Å; F79-I84 HydrophobicContact CB-CD1 4.23Å; F79-I84 HydrophobicContact CB-CG1 4.16Å; P81-I84 PolarHBondContact O-N 3.04Å; E82-I84 VanDerWaalsContact C-N 3.25Å; I84-I86 HydrophobicContact CG2-CG1 4.19Å; I84-I95 HydrophobicContact CG2-CG2 4.27Å; I84-K96 CarbonylContact C-O 3.56Å; I84-K96 WeakPolarHBondContact CA-O 3.36Å; I84-A97 HydrophobicContact CG1-CB 3.82Å; I84-F132 HydrophobicContact CD1-CD2 4.06Å; I84-F132 HydrophobicContact CD1-CE2 3.76Å; I84-L138 HydrophobicContact CG2-CD2 4.13Å |
| 85 | I | 95.4 | Very high | 92.8 | Very high | 88 Ų | 88 | 66.5 Ų | 66.5 | 45% | 0.451 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.5 | 175.6 | -63.2 | 172 | 0 | 0 | 0 | 108.8 | Q87 I95 K96 | I85-Q87 HydrophobicContact CG2-CG 3.78Å; I85-I95 WeakPolarHBondContact O-CA 3.39Å; I85-K96 HydrophobicContact CB-CB 4.45Å; I85-K96 PolarHBondContact N-O 2.7Å; I85-K96 PolarHBondContact O-N 3.48Å |
| 86 | I | 94.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 66 Ų | 66 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.9 | 176.6 | -54.3 | 175.9 | 0 | 0 | 0 | 108.3 | I84 L93 I95 A130 L138 V140 | I84-I86 HydrophobicContact CG2-CG1 4.19Å; I86-L93 HydrophobicContact CG2-CD1 3.58Å; I86-I95 HydrophobicContact CG1-CG1 4.39Å; I86-I95 HydrophobicContact CG2-CG1 4.3Å; I86-A130 HydrophobicContact CD1-CB 3.54Å; I86-L138 HydrophobicContact CD1-CD1 4.13Å; I86-L138 HydrophobicContact CD1-CD2 4.07Å; I86-V140 HydrophobicContact CD1-CG2 4Å |
| 87 | Q | 92.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.9 | -176.8 | -72.3 | 174.2 | -20.5 | 0 | 0 | 110.1 | I85 L94 | I85-Q87 HydrophobicContact CG2-CG 3.78Å; Q87-L94 HydrophobicContact CB-CB 4.38Å; Q87-L94 PolarHBondContact N-O 2.81Å; Q87-L94 PolarHBondContact O-N 3.44Å |
| 88 | T | 90.7 | Very high | 93.4 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.7 | 167.9 | 59.8 | 0 | 0 | 0 | 0 | 109.3 | W92 L93 L119 N125 L128 | T88-W92 CarbonylContact C-O 3.5Å; T88-W92 WeakPolarHBondContact CA-O 3.48Å; T88-L93 HydrophobicContact CG2-CD1 4.31Å; T88-L119 HydrophobicContact CG2-CD1 3.79Å; T88-N125 HydrophobicContact CG2-CB 4.12Å; T88-N125 WeakPolarHBondContact OG1-CB 3.27Å; T88-N125 PolarHBondContact OG1-N 3.36Å; T88-L128 HydrophobicContact CG2-CD1 3.76Å |
| 89 | F | 88.2 | Confident | 93.5 | Very high | 132 Ų | 132 | 64.1 Ų | 64.1 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 128.1 | 179.1 | -177.1 | -102 | 0 | 0 | 0 | 109.4 | G91 W92 | F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 3.39Å; F89-G91 VanDerWaalsContact O-N 3.13Å; F89-W92 PolarHBondContact N-O 3.05Å; F89-W92 WeakPolarHBondContact O-CB 3.28Å; F89-W92 PolarHBondContact O-N 3.22Å |
| 90 | E | 90.1 | Very high | 93.5 | Very high | 152 Ų | 152 | 65 Ų | 65 | 71% | 0.71 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.3 | 175.5 | -64.9 | -177.6 | 171.2 | 0 | 0 | 114.9 | W92 | E90-W92 VanDerWaalsContact C-N 3.32Å; E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 3.29Å |
| 91 | G | 88.8 | Confident | 93.6 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 26 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | F89 K118 L119 | F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 3.39Å; F89-G91 VanDerWaalsContact O-N 3.13Å; G91-K118 PolarHBondContact O-NZ 3.3Å; G91-L119 PolarHBondContact O-N 3.01Å |
| 92 | W | 92.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 64 Ų | 64 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.3 | 170 | -64.2 | 88.7 | 0 | 0 | 0 | 110.4 | T88 F89 E90 Q116 Y117 K118 | T88-W92 CarbonylContact C-O 3.5Å; T88-W92 WeakPolarHBondContact CA-O 3.48Å; F89-W92 PolarHBondContact N-O 3.05Å; F89-W92 WeakPolarHBondContact O-CB 3.28Å; F89-W92 PolarHBondContact O-N 3.22Å; E90-W92 VanDerWaalsContact C-N 3.32Å; E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 3.29Å; W92-Q116 HydrophobicContact CE3-CB 4.37Å; W92-Y117 CarbonylContact C-O 3.54Å; W92-Y117 WeakPolarHBondContact CA-O 3.35Å; W92-Y117 VanDerWaalsContact CE3-C 3.45Å; W92-K118 HydrophobicContact CD2-CD 3.89Å; W92-K118 HydrophobicContact CE3-CB 4.03Å; W92-K118 HydrophobicContact CE3-CD 4.18Å; W92-K118 HydrophobicContact CH2-CB 4.04Å; W92-K118 HydrophobicContact CH2-CD 3.93Å; W92-K118 HydrophobicContact CZ2-CD 3.63Å; W92-K118 HydrophobicContact CZ3-CB 3.74Å; W92-K118 HydrophobicContact CZ3-CD 4.2Å |
| 93 | L | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.9 | 165.3 | 170.4 | 66.8 | 0 | 0 | 0 | 108.4 | F70 V72 I86 T88 I95 Q116 Y117 L119 L128 V140 | F70-L93 HydrophobicContact CE1-CD2 3.67Å; F70-L93 HydrophobicContact CZ-CD2 3.73Å; V72-L93 HydrophobicContact CG2-CD2 4.05Å; I86-L93 HydrophobicContact CG2-CD1 3.58Å; T88-L93 HydrophobicContact CG2-CD1 4.31Å; L93-I95 HydrophobicContact CD1-CG1 4.27Å; L93-I95 HydrophobicContact CD2-CD1 4.08Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CD1 4.28Å; L93-I95 HydrophobicContact CG-CG1 4.13Å; L93-Q116 CarbonylContact O-C 3.49Å; L93-Q116 VanDerWaalsContact O-CA 3.28Å; L93-Q116 WeakPolarHBondContact O-CA 3.4Å; L93-Y117 HydrophobicContact CD2-CD2 4.2Å; L93-Y117 PolarHBondContact N-O 3.13Å; L93-Y117 PolarHBondContact O-N 3.48Å; L93-L119 HydrophobicContact CB-CD1 4.09Å; L93-L119 HydrophobicContact CB-CD2 3.87Å; L93-L119 HydrophobicContact CB-CG 3.88Å; L93-L128 HydrophobicContact CD1-CD1 4.02Å; L93-V140 HydrophobicContact CD1-CG1 4.35Å; L93-V140 HydrophobicContact CD2-CB 4.26Å; L93-V140 HydrophobicContact CD2-CG1 3.8Å |
| 94 | L | 95.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 66.2 Ų | 66.2 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.4 | 179.1 | -179.9 | 66.9 | 0 | 0 | 0 | 108.8 | Q87 K96 T114 Q116 | Q87-L94 HydrophobicContact CB-CB 4.38Å; Q87-L94 PolarHBondContact N-O 2.81Å; Q87-L94 PolarHBondContact O-N 3.44Å; L94-K96 HydrophobicContact CD1-CG 4.45Å; L94-K96 HydrophobicContact CD2-CD 4.49Å; L94-K96 HydrophobicContact CG-CG 4.27Å; L94-T114 HydrophobicContact CD1-CG2 3.47Å; L94-T114 VanDerWaalsContact CD1-CG2 3.47Å; L94-Q116 HydrophobicContact CD1-CG 3.46Å; L94-Q116 VanDerWaalsContact CD1-CG 3.46Å |
| 95 | I | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.4 | 175.7 | -58.8 | 173.1 | 0 | 0 | 0 | 107.7 | V72 L74 I84 I85 I86 L93 F113 T114 R115 Y117 L138 V140 | V72-I95 HydrophobicContact CG2-CD1 4.4Å; L74-I95 HydrophobicContact CD1-CB 4.17Å; L74-I95 HydrophobicContact CD1-CD1 3.52Å; L74-I95 HydrophobicContact CD1-CG1 4.43Å; L74-I95 HydrophobicContact CD1-CG2 3.83Å; I84-I95 HydrophobicContact CG2-CG2 4.27Å; I85-I95 WeakPolarHBondContact O-CA 3.39Å; I86-I95 HydrophobicContact CG1-CG1 4.39Å; I86-I95 HydrophobicContact CG2-CG1 4.3Å; L93-I95 HydrophobicContact CD1-CG1 4.27Å; L93-I95 HydrophobicContact CD2-CD1 4.08Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CD1 4.28Å; L93-I95 HydrophobicContact CG-CG1 4.13Å; I95-F113 HydrophobicContact CG2-CE2 4.08Å; I95-F113 HydrophobicContact CG2-CZ 4.27Å; I95-T114 CarbonylContact O-C 3.57Å; I95-T114 WeakPolarHBondContact O-CA 3.26Å; I95-R115 PolarHBondContact N-O 3.23Å; I95-R115 PolarHBondContact O-N 3.22Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å; I95-Y117 HydrophobicContact CD1-CE2 4.3Å; I95-L138 HydrophobicContact CD1-CD2 4.47Å; I95-L138 HydrophobicContact CG2-CD2 4.05Å; I95-V140 HydrophobicContact CD1-CG2 3.86Å |
| 96 | K | 96.4 | Very high | 92.6 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.2 | 175.5 | -63.8 | -179.9 | 173.4 | 166 | 0 | 108.5 | I84 I85 L94 F113 T114 | I84-K96 CarbonylContact C-O 3.56Å; I84-K96 WeakPolarHBondContact CA-O 3.36Å; I85-K96 HydrophobicContact CB-CB 4.45Å; I85-K96 PolarHBondContact N-O 2.7Å; I85-K96 PolarHBondContact O-N 3.48Å; L94-K96 HydrophobicContact CD1-CG 4.45Å; L94-K96 HydrophobicContact CD2-CD 4.49Å; L94-K96 HydrophobicContact CG-CG 4.27Å; K96-F113 WeakPolarHBondContact CA-O 3.36Å; K96-T114 HydrophobicContact CG-CG2 3.96Å |
| 97 | A | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | F79 D83 I84 S112 F113 | F79-A97 HydrophobicContact CB-CB 4.28Å; F79-A97 HydrophobicContact CD1-CB 3.5Å; F79-A97 VanDerWaalsContact CD1-CB 3.5Å; F79-A97 HydrophobicContact CD2-CB 4.03Å; F79-A97 HydrophobicContact CE1-CB 3.72Å; F79-A97 HydrophobicContact CE2-CB 4.24Å; F79-A97 HydrophobicContact CG-CB 3.66Å; F79-A97 HydrophobicContact CZ-CB 4.09Å; D83-A97 CarbonylContact O-C 3.52Å; D83-A97 VanDerWaalsContact O-CA 3.29Å; D83-A97 WeakPolarHBondContact O-CA 3.49Å; I84-A97 HydrophobicContact CG1-CB 3.82Å; A97-S112 CarbonylContact O-C 3.44Å; A97-S112 VanDerWaalsContact O-CA 3.22Å; A97-S112 WeakPolarHBondContact O-CA 3.36Å; A97-F113 HydrophobicContact CB-CD1 3.62Å; A97-F113 HydrophobicContact CB-CE1 3.2Å; A97-F113 HydrophobicContact CB-CE2 4.48Å; A97-F113 HydrophobicContact CB-CG 4.43Å; A97-F113 HydrophobicContact CB-CZ 3.68Å; A97-F113 PolarHBondContact N-O 2.88Å; A97-F113 PolarHBondContact O-N 2.9Å |
| 98 | Q | 96.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 80.1 Ų | 80.1 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 131.5 | -179.3 | 179.9 | 173.9 | -1.2 | 0 | 0 | 110.9 | D83 R111 | D83-Q98 WeakPolarHBondContact CB-O 3.37Å; D83-Q98 PolarHBondContact O-N 3.25Å; Q98-R111 WeakPolarHBondContact CA-O 3.28Å |
| 99 | H | 95.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 80.2 Ų | 80.2 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.3 | 163.4 | 73 | 81.5 | 0 | 0 | 0 | 111.1 | F79 R102 I109 R111 | F79-H99 AromaticContact CD1-CD2 3.84Å; F79-H99 AromaticContact CE1-CD2 3.9Å; H99-R102 VanDerWaalsContact CB-CZ 3.41Å; H99-R102 VanDerWaalsContact CB-NH2 3.28Å; H99-I109 PolarHBondContact CE1-O 2.76Å; H99-R111 PolarHBondContact N-O 2.84Å; H99-R111 WeakPolarHBondContact NE2-CB 3.39Å; H99-R111 PolarHBondContact O-N 3.28Å |
| 100 | G | 93.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 77.2 Ų | 77.2 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -171.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R102 S110 | G100-R102 PolarHBondContact O-N 3.12Å; G100-S110 VanDerWaalsContact C-OG 3.3Å |
| 101 | P | 94.9 | Very high | 93 | Very high | 98 Ų | 98 | 73.5 Ų | 73.5 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 122.9 | -177.4 | -25.6 | 33.9 | 0 | 0 | 0 | 112.3 | F108 I109 S110 | P101-F108 HydrophobicContact CB-CD1 4.31Å; P101-I109 CarbonylContact C-O 3.52Å; P101-I109 WeakPolarHBondContact CA-O 3.4Å; P101-S110 VanDerWaalsContact CA-OG 3.25Å; P101-S110 WeakPolarHBondContact CA-OG 3.47Å; P101-S110 WeakPolarHBondContact CD-OG 3.19Å; P101-S110 WeakPolarHBondContact CG-OG 3.23Å |
| 102 | R | 92.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 75.8 Ų | 75.8 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.6 | 171.5 | -68.9 | -177.9 | -178.7 | 153.5 | 11.3 | 109.1 | D83 H99 G100 F108 I109 | D83-R102 IonicContact OD1-CZ 2.61Å; D83-R102 IonicContact OD1-NH2 3.23Å; D83-R102 PolarHBondContact OD1-NH2 2.85Å; D83-R102 IonicContact OD2-CZ 2.7Å; D83-R102 VanDerWaalsContact OD2-CZ 3.23Å; D83-R102 IonicContact OD2-NH1 3.88Å; D83-R102 PolarHBondContact OD2-NH1 2.85Å; D83-R102 IonicContact OD2-NH2 2.79Å; D83-R102 PolarHBondContact OD2-NH2 2.84Å; H99-R102 VanDerWaalsContact CB-CZ 3.41Å; H99-R102 VanDerWaalsContact CB-NH2 3.28Å; G100-R102 PolarHBondContact O-N 3.12Å; R102-F108 CarbonylContact O-C 3.53Å; R102-F108 VanDerWaalsContact O-CA 3.3Å; R102-F108 WeakPolarHBondContact O-CA 3.25Å; R102-I109 PolarHBondContact N-O 3.41Å; R102-I109 PolarHBondContact O-N 2.86Å |
| 103 | M | 92.9 | Very high | 93.5 | Very high | 153 Ų | 153 | 73 Ų | 73 | 75% | 0.754 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.9 | 174.7 | -158.4 | 175 | 76 | 0 | 0 | 109.5 | G107 F108 | M103-G107 CarbonylContact C-O 3.52Å; M103-G107 VanDerWaalsContact CA-O 3.26Å; M103-G107 WeakPolarHBondContact CA-O 3.39Å; M103-F108 HydrophobicContact CB-CD1 4.47Å; M103-F108 HydrophobicContact CB-CE1 4.24Å |
| 104 | D | 86.3 | Confident | 93.5 | Very high | 56 Ų | 56 | 76.5 Ų | 76.5 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -171.9 | 168.7 | 71.7 | 12.4 | 0 | 0 | 0 | 110.4 | H106 G107 I109 | D104-H106 PolarHBondContact O-N 2.8Å; D104-H106 VanDerWaalsContact O-N 3.11Å; D104-H106 WeakPolarHBondContact OD1-CA 3.19Å; D104-H106 PolarHBondContact OD1-N 3.34Å; D104-G107 PolarHBondContact N-O 3.26Å; D104-G107 PolarHBondContact O-N 3.35Å; D104-G107 PolarHBondContact OD1-N 2.96Å; D104-I109 HydrophobicContact CB-CG2 4.14Å; D104-I109 VanDerWaalsContact OD2-CG2 3.25Å; D104-I109 WeakPolarHBondContact OD2-CG2 3.24Å |
| 105 | E | 88.1 | Confident | 93.5 | Very high | 182 Ų | 182 | 81.3 Ų | 81.3 | 85% | 0.85 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.3 | -179.2 | -61.3 | -176.3 | 170.3 | 0 | 0 | 113.8 | ||
| 106 | H | 89.1 | Confident | 93.4 | Very high | 173 Ų | 173 | 87.2 Ų | 87.2 | 80% | 0.801 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 0.1 | -172.6 | -57.3 | -55.8 | 0 | 0 | 0 | 113.8 | D104 | D104-H106 PolarHBondContact O-N 2.8Å; D104-H106 VanDerWaalsContact O-N 3.11Å; D104-H106 WeakPolarHBondContact OD1-CA 3.19Å; D104-H106 PolarHBondContact OD1-N 3.34Å |
| 107 | G | 91.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 84.3 Ų | 84.3 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -140.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M103 D104 | M103-G107 CarbonylContact C-O 3.52Å; M103-G107 VanDerWaalsContact CA-O 3.26Å; M103-G107 WeakPolarHBondContact CA-O 3.39Å; D104-G107 PolarHBondContact N-O 3.26Å; D104-G107 PolarHBondContact O-N 3.35Å; D104-G107 PolarHBondContact OD1-N 2.96Å |
| 108 | F | 92 | Very high | 92.9 | Very high | 161 Ų | 161 | 89 Ų | 89 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.7 | 177.2 | -71.9 | -83.7 | 0 | 0 | 0 | 111.2 | P101 R102 M103 | P101-F108 HydrophobicContact CB-CD1 4.31Å; R102-F108 CarbonylContact O-C 3.53Å; R102-F108 VanDerWaalsContact O-CA 3.3Å; R102-F108 WeakPolarHBondContact O-CA 3.25Å; M103-F108 HydrophobicContact CB-CD1 4.47Å; M103-F108 HydrophobicContact CB-CE1 4.24Å |
| 109 | I | 91.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 82.9 Ų | 82.9 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139 | 178.3 | -168.9 | 139.5 | 0 | 0 | 0 | 112 | H99 P101 R102 D104 R111 | H99-I109 PolarHBondContact CE1-O 2.76Å; P101-I109 CarbonylContact C-O 3.52Å; P101-I109 WeakPolarHBondContact CA-O 3.4Å; R102-I109 PolarHBondContact N-O 3.41Å; R102-I109 PolarHBondContact O-N 2.86Å; D104-I109 HydrophobicContact CB-CG2 4.14Å; D104-I109 VanDerWaalsContact OD2-CG2 3.25Å; D104-I109 WeakPolarHBondContact OD2-CG2 3.24Å; I109-R111 HydrophobicContact CG1-CG 4.08Å |
| 110 | S | 94 | Very high | 92.3 | Very high | 68 Ų | 68 | 84.6 Ų | 84.6 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.4 | 168.9 | -56 | 0 | 0 | 0 | 0 | 108.2 | G100 P101 | G100-S110 VanDerWaalsContact C-OG 3.3Å; P101-S110 VanDerWaalsContact CA-OG 3.25Å; P101-S110 WeakPolarHBondContact CA-OG 3.47Å; P101-S110 WeakPolarHBondContact CD-OG 3.19Å; P101-S110 WeakPolarHBondContact CG-OG 3.23Å |
| 111 | R | 94.4 | Very high | 92 | Very high | 75 Ų | 75 | 90.2 Ų | 90.2 | 28% | 0.283 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.9 | 177.6 | -59.5 | -178 | 177.4 | 91.1 | -6 | 109.8 | Q78 F79 Q98 H99 I109 | Q78-R111 VanDerWaalsContact OE1-CZ 3.26Å; F79-R111 HydrophobicContact CE1-CB 3.9Å; F79-R111 HydrophobicContact CZ-CB 3.66Å; Q98-R111 WeakPolarHBondContact CA-O 3.28Å; H99-R111 PolarHBondContact N-O 2.84Å; H99-R111 WeakPolarHBondContact NE2-CB 3.39Å; H99-R111 PolarHBondContact O-N 3.28Å; I109-R111 HydrophobicContact CG1-CG 4.08Å |
| 112 | S | 95.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 89.1 Ų | 89.1 | 54% | 0.538 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 137 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 110 | A97 | A97-S112 CarbonylContact O-C 3.44Å; A97-S112 VanDerWaalsContact O-CA 3.22Å; A97-S112 WeakPolarHBondContact O-CA 3.36Å |
| 113 | F | 96.2 | Very high | 91 | Very high | 44 Ų | 44 | 86.5 Ų | 86.5 | 19% | 0.193 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.1 | 166.1 | 80.7 | -99.7 | 0 | 0 | 0 | 111.4 | L74 V76 F79 I95 K96 A97 R115 | L74-F113 HydrophobicContact CD1-CE2 4.25Å; L74-F113 HydrophobicContact CD1-CZ 4.36Å; V76-F113 HydrophobicContact CG1-CE1 3.99Å; V76-F113 HydrophobicContact CG1-CZ 3.84Å; F79-F113 HydrophobicContact CD2-CD1 4.24Å; F79-F113 AromaticContact CD2-CE1 3.93Å; F79-F113 HydrophobicContact CD2-CE1 3.93Å; F79-F113 AromaticContact CE2-CD1 3.51Å; F79-F113 HydrophobicContact CE2-CD1 3.51Å; F79-F113 AromaticContact CE2-CE1 3.67Å; F79-F113 HydrophobicContact CE2-CE1 3.67Å; F79-F113 AromaticContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CE1 4.17Å; I95-F113 HydrophobicContact CG2-CE2 4.08Å; I95-F113 HydrophobicContact CG2-CZ 4.27Å; K96-F113 WeakPolarHBondContact CA-O 3.36Å; A97-F113 HydrophobicContact CB-CD1 3.62Å; A97-F113 HydrophobicContact CB-CE1 3.2Å; A97-F113 HydrophobicContact CB-CE2 4.48Å; A97-F113 HydrophobicContact CB-CG 4.43Å; A97-F113 HydrophobicContact CB-CZ 3.68Å; A97-F113 PolarHBondContact N-O 2.88Å; A97-F113 PolarHBondContact O-N 2.9Å; F113-R115 HydrophobicContact CD2-CG 4.04Å; F113-R115 HydrophobicContact CE2-CG 4.26Å |
| 114 | T | 94.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 84.1 Ų | 84.1 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 124.7 | 169.1 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | L94 I95 K96 | L94-T114 HydrophobicContact CD1-CG2 3.47Å; L94-T114 VanDerWaalsContact CD1-CG2 3.47Å; I95-T114 CarbonylContact O-C 3.57Å; I95-T114 WeakPolarHBondContact O-CA 3.26Å; K96-T114 HydrophobicContact CG-CG2 3.96Å |
| 115 | R | 94.9 | Very high | 90.5 | Very high | 127 Ų | 127 | 85.5 Ų | 85.5 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.7 | 172.3 | -74.1 | -164.8 | 179.7 | -175.9 | 0.9 | 110.9 | I95 F113 Y117 | I95-R115 PolarHBondContact N-O 3.23Å; I95-R115 PolarHBondContact O-N 3.22Å; F113-R115 HydrophobicContact CD2-CG 4.04Å; F113-R115 HydrophobicContact CE2-CG 4.26Å; R115-Y117 HydrophobicContact CB-CE2 3.95Å; R115-Y117 VanDerWaalsContact CD-OH 3.26Å; R115-Y117 WeakPolarHBondContact CD-OH 3.49Å; R115-Y117 PolarHBondContact NH1-OH 3.47Å |
| 116 | Q | 94.1 | Very high | 90.4 | Very high | 125 Ų | 125 | 83 Ų | 83 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.7 | 178.4 | -70.1 | -178.5 | 56.7 | 0 | 0 | 109.7 | W92 L93 L94 | W92-Q116 HydrophobicContact CE3-CB 4.37Å; L93-Q116 CarbonylContact O-C 3.49Å; L93-Q116 VanDerWaalsContact O-CA 3.28Å; L93-Q116 WeakPolarHBondContact O-CA 3.4Å; L94-Q116 HydrophobicContact CD1-CG 3.46Å; L94-Q116 VanDerWaalsContact CD1-CG 3.46Å |
| 117 | Y | 93.3 | Very high | 90.3 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132 | 179.7 | -63.9 | -69.3 | 0 | 0 | 0 | 110 | P40 V72 L74 W92 L93 I95 R115 L119 | P40-Y117 HydrophobicContact CB-CD1 4.19Å; P40-Y117 HydrophobicContact CG-CD1 3.64Å; P40-Y117 HydrophobicContact CG-CE1 3.93Å; V72-Y117 HydrophobicContact CB-CE2 4.32Å; V72-Y117 HydrophobicContact CG1-CD1 4.05Å; V72-Y117 HydrophobicContact CG1-CD2 4.1Å; V72-Y117 HydrophobicContact CG1-CE1 4.11Å; V72-Y117 HydrophobicContact CG1-CE2 4.18Å; V72-Y117 HydrophobicContact CG1-CG 4Å; V72-Y117 HydrophobicContact CG2-CD2 4.33Å; V72-Y117 HydrophobicContact CG2-CE2 4.28Å; L74-Y117 HydrophobicContact CD1-CE2 4.47Å; L74-Y117 HydrophobicContact CD2-CE2 4.41Å; L74-Y117 VanDerWaalsContact CD2-OH 3.23Å; L74-Y117 WeakPolarHBondContact CD2-OH 3.34Å; W92-Y117 CarbonylContact C-O 3.54Å; W92-Y117 WeakPolarHBondContact CA-O 3.35Å; W92-Y117 VanDerWaalsContact CE3-C 3.45Å; L93-Y117 HydrophobicContact CD2-CD2 4.2Å; L93-Y117 PolarHBondContact N-O 3.13Å; L93-Y117 PolarHBondContact O-N 3.48Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å; I95-Y117 HydrophobicContact CD1-CE2 4.3Å; R115-Y117 HydrophobicContact CB-CE2 3.95Å; R115-Y117 VanDerWaalsContact CD-OH 3.26Å; R115-Y117 WeakPolarHBondContact CD-OH 3.49Å; R115-Y117 PolarHBondContact NH1-OH 3.47Å; Y117-L119 PolarHBondContact O-N 2.85Å |
| 118 | K | 91.1 | Very high | 90.2 | Very high | 97 Ų | 97 | 76.6 Ų | 76.6 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 123.2 | 174.6 | -172.3 | 67.8 | -169.4 | 163.2 | 0 | 108.5 | G91 W92 | G91-K118 PolarHBondContact O-NZ 3.3Å; W92-K118 HydrophobicContact CD2-CD 3.89Å; W92-K118 HydrophobicContact CE3-CB 4.03Å; W92-K118 HydrophobicContact CE3-CD 4.18Å; W92-K118 HydrophobicContact CH2-CB 4.04Å; W92-K118 HydrophobicContact CH2-CD 3.93Å; W92-K118 HydrophobicContact CZ2-CD 3.63Å; W92-K118 HydrophobicContact CZ3-CB 3.74Å; W92-K118 HydrophobicContact CZ3-CD 4.2Å |
| 119 | L | 89 | Confident | 90 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 151.3 | 175.1 | -72.6 | 171.1 | 0 | 0 | 0 | 110.3 | F70 T88 G91 L93 Y117 V123 L128 | F70-L119 HydrophobicContact CD1-CD2 4.08Å; F70-L119 HydrophobicContact CD2-CD2 4.33Å; F70-L119 HydrophobicContact CE1-CD2 3.81Å; F70-L119 HydrophobicContact CE2-CD2 4.06Å; F70-L119 HydrophobicContact CG-CD2 4.34Å; F70-L119 HydrophobicContact CZ-CD2 3.8Å; T88-L119 HydrophobicContact CG2-CD1 3.79Å; G91-L119 PolarHBondContact O-N 3.01Å; L93-L119 HydrophobicContact CB-CD1 4.09Å; L93-L119 HydrophobicContact CB-CD2 3.87Å; L93-L119 HydrophobicContact CB-CG 3.88Å; Y117-L119 PolarHBondContact O-N 2.85Å; L119-V123 HydrophobicContact CB-CB 4.32Å; L119-V123 HydrophobicContact CD1-CG1 4.4Å; L119-V123 HydrophobicContact CD2-CG1 4.14Å; L119-L128 HydrophobicContact CD1-CD1 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.14Å; L119-L128 HydrophobicContact CD2-CD2 4.34Å |
| 120 | P | 89.4 | Confident | 90 | Very high | 44 Ų | 44 | 70.7 Ų | 70.7 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 155.1 | 165 | -19.9 | 31.9 | 0 | 0 | 0 | 111.2 | F70 G122 V123 M142 | F70-P120 HydrophobicContact CB-CG 3.95Å; F70-P120 HydrophobicContact CD2-CG 4.4Å; P120-G122 PolarHBondContact O-N 2.86Å; P120-V123 HydrophobicContact CB-CG2 3.85Å; P120-V123 HydrophobicContact CG-CG2 4.15Å; P120-V123 PolarHBondContact O-N 2.82Å; P120-M142 HydrophobicContact CG-SD 4.05Å |
| 121 | N | 85.8 | Confident | 89.7 | Confident | 160 Ų | 160 | 72 Ų | 72 | 86% | 0.856 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.8 | -178 | -67.7 | -19 | 0 | 0 | 0 | 111.1 | V123 | N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 2.87Å |
| 122 | G | 82.4 | Confident | 89.4 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 76% | 0.763 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P120 | P120-G122 PolarHBondContact O-N 2.86Š|
| 123 | V | 85.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -79.8 | 124.3 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | L119 P120 N121 D127 L128 M142 | L119-V123 HydrophobicContact CB-CB 4.32Å; L119-V123 HydrophobicContact CD1-CG1 4.4Å; L119-V123 HydrophobicContact CD2-CG1 4.14Å; P120-V123 HydrophobicContact CB-CG2 3.85Å; P120-V123 HydrophobicContact CG-CG2 4.15Å; P120-V123 PolarHBondContact O-N 2.82Å; N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 2.87Å; V123-D127 HydrophobicContact CG1-CB 4.28Å; V123-L128 HydrophobicContact CG1-CD2 3.83Å; V123-L128 HydrophobicContact CG1-CG 4.14Å; V123-M142 HydrophobicContact CG1-CG 4.21Å; V123-M142 HydrophobicContact CG1-SD 4.47Å; V123-M142 HydrophobicContact CG2-CE 3.62Å; V123-M142 HydrophobicContact CG2-SD 3.76Å | ||
| 124 | E | 83.9 | Confident | 88.3 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | trans | -111.9 | 170.9 | 176.2 | -65.8 | 177.9 | 178.5 | 0 | 0 | 111.5 | K126 D127 | E124-K126 HydrophobicContact CB-CG 4.29Å; E124-K126 PolarHBondContact O-N 2.85Å; E124-K126 VanDerWaalsContact O-N 3.16Å; E124-K126 VanDerWaalsContact OE2-CE 3.28Å; E124-K126 WeakPolarHBondContact OE2-CE 3.33Å; E124-K126 IonicContact OE2-NZ 2.63Å; E124-K126 PolarHBondContact OE2-NZ 2.92Å; E124-D127 PolarHBondContact N-OD2 2.96Å; E124-D127 WeakPolarHBondContact O-CB 3.41Å; E124-D127 PolarHBondContact O-N 3.32Å | ||
| 125 | N | 84.6 | Confident | 87.7 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -51.8 | -39.8 | 178.2 | -168.3 | -91.9 | 0 | 0 | 0 | 113.3 | T88 D127 L128 | T88-N125 HydrophobicContact CG2-CB 4.12Å; T88-N125 WeakPolarHBondContact OG1-CB 3.27Å; T88-N125 PolarHBondContact OG1-N 3.36Å; N125-D127 PolarHBondContact O-N 3.14Å; N125-L128 PolarHBondContact O-N 3.33Å; N125-L128 VanDerWaalsContact O-N 3.09Å |
| 126 | K | 85.7 | Confident | 87.2 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -62.9 | -27.3 | -178.3 | 72.6 | -167.7 | -176.3 | -150.4 | 0 | 113.1 | E124 L128 K143 | E124-K126 HydrophobicContact CB-CG 4.29Å; E124-K126 PolarHBondContact O-N 2.85Å; E124-K126 VanDerWaalsContact O-N 3.16Å; E124-K126 VanDerWaalsContact OE2-CE 3.28Å; E124-K126 WeakPolarHBondContact OE2-CE 3.33Å; E124-K126 IonicContact OE2-NZ 2.63Å; E124-K126 PolarHBondContact OE2-NZ 2.92Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-K143 PolarHBondContact O-NZ 3.42Å |
| 127 | D | 86.3 | Confident | 87.1 | Confident | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -84.8 | -7.5 | -178.1 | -50.9 | -48.9 | 0 | 0 | 0 | 111.5 | V123 E124 N125 M142 K143 | V123-D127 HydrophobicContact CG1-CB 4.28Å; E124-D127 PolarHBondContact N-OD2 2.96Å; E124-D127 WeakPolarHBondContact O-CB 3.41Å; E124-D127 PolarHBondContact O-N 3.32Å; N125-D127 PolarHBondContact O-N 3.14Å; D127-M142 CarbonylContact O-C 3.54Å; D127-M142 WeakPolarHBondContact O-CA 3.33Å; D127-K143 PolarHBondContact O-N 2.84Å |
| 128 | L | 89.3 | Confident | 87 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 152.3 | 178 | -59.5 | 177.2 | 0 | 0 | 0 | 111.2 | F70 T88 L93 L119 V123 N125 K126 V140 E141 M142 K143 | F70-L128 HydrophobicContact CD1-CD2 4.27Å; T88-L128 HydrophobicContact CG2-CD1 3.76Å; L93-L128 HydrophobicContact CD1-CD1 4.02Å; L119-L128 HydrophobicContact CD1-CD1 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.14Å; L119-L128 HydrophobicContact CD2-CD2 4.34Å; V123-L128 HydrophobicContact CG1-CD2 3.83Å; V123-L128 HydrophobicContact CG1-CG 4.14Å; N125-L128 PolarHBondContact O-N 3.33Å; N125-L128 VanDerWaalsContact O-N 3.09Å; K126-L128 VanDerWaalsContact C-N 3.27Å; L128-V140 HydrophobicContact CD1-CG1 4.49Å; L128-E141 CarbonylContact C-O 3.55Å; L128-E141 WeakPolarHBondContact CA-O 3.25Å; L128-M142 HydrophobicContact CD2-CG 3.79Å; L128-K143 WeakPolarHBondContact O-CE 3.38Å; L128-K143 PolarHBondContact O-NZ 3.22Å |
| 129 | S | 88.9 | Confident | 86.9 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.4 | 166.7 | 65.2 | 0 | 0 | 0 | 0 | 109.2 | V140 E141 | S129-V140 WeakPolarHBondContact O-CA 3.26Å; S129-E141 PolarHBondContact N-O 3.04Å; S129-E141 PolarHBondContact O-N 3.11Å; S129-E141 WeakPolarHBondContact OG-CG 3.48Å; S129-E141 PolarHBondContact OG-O 3.23Å |
| 130 | A | 90.6 | Very high | 87 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I86 L138 V139 V140 | I86-A130 HydrophobicContact CD1-CB 3.54Å; A130-L138 HydrophobicContact CB-CD1 4.39Å; A130-V139 CarbonylContact C-O 3.57Å; A130-V139 VanDerWaalsContact CA-O 3.24Å; A130-V139 WeakPolarHBondContact CA-O 3.43Å; A130-V140 HydrophobicContact CB-CG2 4.15Å |
| 131 | L | 89.2 | Confident | 87 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.4 | 179.1 | -64.2 | 171.5 | 0 | 0 | 0 | 108.7 | L138 V139 | L131-L138 WeakPolarHBondContact O-CA 3.35Å; L131-V139 HydrophobicContact CB-CB 4.36Å; L131-V139 PolarHBondContact N-O 2.78Å; L131-V139 PolarHBondContact O-N 2.92Å |
| 132 | F | 86.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.2 | 171.5 | -169.5 | -78.3 | 0 | 0 | 0 | 108.1 | V76 P81 I84 | V76-F132 HydrophobicContact CB-CE2 4.42Å; V76-F132 HydrophobicContact CG2-CD2 3.94Å; V76-F132 HydrophobicContact CG2-CE2 3.36Å; V76-F132 HydrophobicContact CG2-CZ 4.07Å; P81-F132 HydrophobicContact CG-CD1 4.1Å; P81-F132 HydrophobicContact CG-CD2 4.19Å; P81-F132 HydrophobicContact CG-CE1 4.18Å; P81-F132 HydrophobicContact CG-CE2 4.24Å; P81-F132 HydrophobicContact CG-CG 4.11Å; P81-F132 HydrophobicContact CG-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CD2 4.06Å; I84-F132 HydrophobicContact CD1-CE2 3.76Å |
| 133 | C | 86.8 | Confident | 87.1 | Confident | 41 Ų | 41 | 60 Ų | 60 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | trans | -81.4 | 154 | -179.3 | -63 | 0 | 0 | 0 | 0 | 110.9 | D135 G136 I137 | C133-D135 WeakPolarHBondContact CB-OD1 3.43Å; C133-D135 PolarHBondContact O-N 2.97Å; C133-G136 PolarHBondContact O-N 3.34Å; C133-G136 VanDerWaalsContact O-N 3.12Å; C133-I137 HydrophobicContact CB-CB 4.4Å; C133-I137 WeakPolarHBondContact CB-O 3.29Å; C133-I137 PolarHBondContact N-O 2.77Å | ||
| 134 | H | 82.4 | Confident | 86.3 | Confident | 193 Ų | 193 | 68.3 Ų | 68.3 | 89% | 0.894 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19.5 | -178.1 | 64.7 | -88.4 | 0 | 0 | 0 | 113.4 | G136 | H134-G136 PolarHBondContact O-N 2.97Š|
| 135 | D | 82.9 | Confident | 85 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 6.1 | 176.3 | 63.7 | -11.3 | 0 | 0 | 0 | 113 | C133 I137 | C133-D135 WeakPolarHBondContact CB-OD1 3.43Å; C133-D135 PolarHBondContact O-N 2.97Å; D135-I137 PolarHBondContact OD1-N 2.85Å |
| 136 | G | 84.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 82.5 | 13.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V76 V77 C133 H134 | V76-G136 CarbonylContact C-O 3.56Å; V76-G136 WeakPolarHBondContact CG2-O 3.22Å; V76-G136 PolarHBondContact N-O 2.79Å; V77-G136 PolarHBondContact N-O 2.76Å; C133-G136 PolarHBondContact O-N 3.34Å; C133-G136 VanDerWaalsContact O-N 3.12Å; H134-G136 PolarHBondContact O-N 2.97Å |
| 137 | I | 90.7 | Very high | 81.2 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.2 | 175.3 | -54.9 | -57.1 | 0 | 0 | 0 | 110.9 | L37 L73 L74 D75 C133 D135 V139 | L37-I137 HydrophobicContact CD1-CD1 3.91Å; L37-I137 HydrophobicContact CD2-CD1 4.12Å; L73-I137 HydrophobicContact CB-CG2 4.22Å; L73-I137 HydrophobicContact CD2-CG2 4.29Å; L73-I137 HydrophobicContact CG-CG2 4.25Å; L74-I137 CarbonylContact O-C 3.54Å; L74-I137 WeakPolarHBondContact O-CA 3.43Å; D75-I137 HydrophobicContact CB-CD1 4.32Å; C133-I137 HydrophobicContact CB-CB 4.4Å; C133-I137 WeakPolarHBondContact CB-O 3.29Å; C133-I137 PolarHBondContact N-O 2.77Å; D135-I137 PolarHBondContact OD1-N 2.85Å; I137-V139 HydrophobicContact CG2-CG2 4.31Å |
| 138 | L | 90.8 | Very high | 78.9 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.3 | 167.5 | 175.2 | 69.2 | 0 | 0 | 0 | 109.5 | L73 L74 V76 I84 I86 I95 A130 L131 V140 | L73-L138 CarbonylContact C-O 3.58Å; L73-L138 WeakPolarHBondContact CA-O 3.25Å; L74-L138 HydrophobicContact CB-CB 4.29Å; L74-L138 HydrophobicContact CD1-CD2 4.39Å; L74-L138 PolarHBondContact N-O 3.46Å; L74-L138 PolarHBondContact O-N 2.96Å; V76-L138 HydrophobicContact CG1-CB 4.05Å; V76-L138 HydrophobicContact CG1-CD2 4.47Å; V76-L138 HydrophobicContact CG2-CB 3.71Å; I84-L138 HydrophobicContact CG2-CD2 4.13Å; I86-L138 HydrophobicContact CD1-CD1 4.13Å; I86-L138 HydrophobicContact CD1-CD2 4.07Å; I95-L138 HydrophobicContact CD1-CD2 4.47Å; I95-L138 HydrophobicContact CG2-CD2 4.05Å; A130-L138 HydrophobicContact CB-CD1 4.39Å; L131-L138 WeakPolarHBondContact O-CA 3.35Å; L138-V140 HydrophobicContact CD1-CG2 4.42Å; L138-V140 HydrophobicContact CD2-CG2 4.28Å; L138-V140 HydrophobicContact CG-CG2 4.09Å |
| 139 | V | 89.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 82.1 Ų | 82.1 | 12% | 0.121 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.9 | 172.4 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | Q71 V72 L73 A130 L131 I137 | Q71-V139 HydrophobicContact CG-CG1 4.19Å; V72-V139 WeakPolarHBondContact O-CA 3.38Å; L73-V139 HydrophobicContact CD1-CG1 4.21Å; L73-V139 HydrophobicContact CG-CG2 4.26Å; A130-V139 CarbonylContact C-O 3.57Å; A130-V139 VanDerWaalsContact CA-O 3.24Å; A130-V139 WeakPolarHBondContact CA-O 3.43Å; L131-V139 HydrophobicContact CB-CB 4.36Å; L131-V139 PolarHBondContact N-O 2.78Å; L131-V139 PolarHBondContact O-N 2.92Å; I137-V139 HydrophobicContact CG2-CG2 4.31Å |
| 140 | V | 91.6 | Very high | 75.5 | Confident | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.006 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.5 | 169.3 | -174.1 | 0 | 0 | 0 | 0 | 109 | Q71 V72 I86 L93 I95 L128 S129 A130 L138 | Q71-V140 CarbonylContact C-O 3.58Å; Q71-V140 WeakPolarHBondContact CA-O 3.3Å; V72-V140 HydrophobicContact CG2-CB 3.69Å; V72-V140 HydrophobicContact CG2-CG2 4.35Å; V72-V140 PolarHBondContact N-O 2.84Å; V72-V140 PolarHBondContact O-N 3.35Å; I86-V140 HydrophobicContact CD1-CG2 4Å; L93-V140 HydrophobicContact CD1-CG1 4.35Å; L93-V140 HydrophobicContact CD2-CB 4.26Å; L93-V140 HydrophobicContact CD2-CG1 3.8Å; I95-V140 HydrophobicContact CD1-CG2 3.86Å; L128-V140 HydrophobicContact CD1-CG1 4.49Å; S129-V140 WeakPolarHBondContact O-CA 3.26Å; A130-V140 HydrophobicContact CB-CG2 4.15Å; L138-V140 HydrophobicContact CD1-CG2 4.42Å; L138-V140 HydrophobicContact CD2-CG2 4.28Å; L138-V140 HydrophobicContact CG-CG2 4.09Å |
| 141 | E | 88.9 | Confident | 74.7 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 29% | 0.285 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.3 | -173.7 | 66.2 | -178.2 | -166.4 | 0 | 0 | 113.1 | F70 Q71 L128 S129 | F70-E141 VanDerWaalsContact O-CA 3.29Å; F70-E141 WeakPolarHBondContact O-CA 3.44Å; Q71-E141 HydrophobicContact CB-CB 4.09Å; Q71-E141 HydrophobicContact CG-CB 4.04Å; Q71-E141 PolarHBondContact NE2-OE2 3.42Å; L128-E141 CarbonylContact C-O 3.55Å; L128-E141 WeakPolarHBondContact CA-O 3.25Å; S129-E141 PolarHBondContact N-O 3.04Å; S129-E141 PolarHBondContact O-N 3.11Å; S129-E141 WeakPolarHBondContact OG-CG 3.48Å; S129-E141 PolarHBondContact OG-O 3.23Å |
| 142 | M | 87.6 | Confident | 73.9 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.2 | 170.4 | -76.7 | 172.8 | 68.6 | 0 | 0 | 111.1 | F70 P120 V123 D127 L128 | F70-M142 HydrophobicContact CB-CG 3.85Å; F70-M142 HydrophobicContact CB-SD 3.54Å; F70-M142 VanDerWaalsContact CB-SD 3.54Å; F70-M142 PolarHBondContact O-N 2.8Å; P120-M142 HydrophobicContact CG-SD 4.05Å; V123-M142 HydrophobicContact CG1-CG 4.21Å; V123-M142 HydrophobicContact CG1-SD 4.47Å; V123-M142 HydrophobicContact CG2-CE 3.62Å; V123-M142 HydrophobicContact CG2-SD 3.76Å; D127-M142 CarbonylContact O-C 3.54Å; D127-M142 WeakPolarHBondContact O-CA 3.33Å; L128-M142 HydrophobicContact CD2-CG 3.79Å |
| 143 | K | 82.9 | Confident | 73.2 | Confident | 115 Ų | 115 | 85.9 Ų | 85.9 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.4 | 168.9 | -66.9 | 173.7 | -179.2 | 158.8 | 0 | 109 | K126 D127 L128 | K126-K143 PolarHBondContact O-NZ 3.42Å; D127-K143 PolarHBondContact O-N 2.84Å; L128-K143 WeakPolarHBondContact O-CE 3.38Å; L128-K143 PolarHBondContact O-NZ 3.22Å |
| 144 | K | 69.3 | Low | 72.4 | Confident | 190 Ų | 190 | 88.8 Ų | 88.8 | 83% | 0.826 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 131.7 | 171.4 | -66.8 | -176.6 | -178.9 | 177.7 | 0 | 109 | G146 | K144-G146 PolarHBondContact O-N 3.34Š|
| 145 | P | 56 | Low | 71.7 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 83% | 0.831 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -68.8 | 104 | 171.3 | 27.5 | -30.9 | 0 | 0 | 0 | 108.5 | ||
| 146 | G | 50.4 | Low | 70.9 | Confident | 74 Ų | 74 | 82.1 Ų | 82.1 | 76% | 0.763 | 48% | 0.476 | S | S | * | . | trans | 116.1 | 86.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K144 | K144-G146 PolarHBondContact O-N 3.34Š| ||
| 147 | G | 40.9 | Very low | 69.8 | Low | 72 Ų | 72 | 88 Ų | 88 | 74% | 0.742 | 51% | 0.508 | S | S | * | . | trans | -138.1 | 70.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | N149 | G147-N149 PolarHBondContact O-N 2.79Š| ||
| 148 | L | 37.7 | Very low | 68.1 | Low | 173 Ų | 173 | 93.9 Ų | 93.9 | 91% | 0.906 | 54% | 0.544 | S | S | * | . | trans | -58.6 | 120 | 168.8 | -151.9 | 82.5 | 0 | 0 | 0 | 107 | ||||
| 149 | N | 32 | Very low | 66 | Low | 230 Ų | 230 | 101.7 Ų | 101.7 | 100% | 1.23 | 59% | 0.589 | S | S | * | * | trans | -102.2 | 0 | 152.5 | -76.5 | -44.6 | 0 | 0 | 0 | 107.1 | G147 | G147-N149 PolarHBondContact O-N 2.79Š|
Retrieved 149 of 149 residues in 63 ms
(Link to these results)