| 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 | 32.3 | Very low | 34.2 | Very low | 238 Ų | 238 | 122.4 Ų | 122.4 | 100% | 1.172 | 59% | 0.589 | S | S | * | * | 0 | 110 | 0 | -69.7 | 172.2 | -162.6 | 0 | 0 | 106.1 | |||||
| 2 | V | 29.8 | Very low | 34.9 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | trans | -100.6 | 118.8 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 106 | W4 | V2-W4 HydrophobicContact CG1-CD2 4.15Å; V2-W4 HydrophobicContact CG1-CG 4.33Å; V2-W4 HydrophobicContact CG1-CZ2 3.97Å; V2-W4 PolarHBondContact O-N 2.82Å | ||
| 3 | D | 24.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 66% | 0.663 | 55% | 0.55 | S | S | * | * | trans | -83.7 | 94.1 | -175.7 | -116.7 | -82.1 | 0 | 0 | 0 | 108.7 | W5 | D3-W5 VanDerWaalsContact C-N 3.29Å; D3-W5 PolarHBondContact O-N 3.02Å; D3-W5 PolarHBondContact OD1-NE1 3.15Å | ||
| 4 | W | 34.5 | Very low | 35.8 | Very low | 146 Ų | 146 | 114.4 Ų | 114.4 | 55% | 0.553 | 55% | 0.551 | S | S | * | * | trans | -87.3 | 24.4 | -175.1 | -66.6 | 95.5 | 0 | 0 | 0 | 114.5 | V2 H6 | V2-W4 HydrophobicContact CG1-CD2 4.15Å; V2-W4 HydrophobicContact CG1-CG 4.33Å; V2-W4 HydrophobicContact CG1-CZ2 3.97Å; V2-W4 PolarHBondContact O-N 2.82Å; W4-H6 PolarHBondContact O-N 2.91Å; W4-H6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | W | 32.2 | Very low | 36.1 | Very low | 196 Ų | 196 | 109.4 Ų | 109.4 | 74% | 0.742 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1 | -169.1 | 56.8 | -62.9 | 0 | 0 | 0 | 115.2 | D3 | D3-W5 VanDerWaalsContact C-N 3.29Å; D3-W5 PolarHBondContact O-N 3.02Å; D3-W5 PolarHBondContact OD1-NE1 3.15Å |
| 6 | H | 30.8 | Very low | 36.2 | Very low | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.616 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | 17.7 | -168.9 | -86.5 | 66.1 | 0 | 0 | 0 | 116.5 | W4 E8 | W4-H6 PolarHBondContact O-N 2.91Å; W4-H6 VanDerWaalsContact O-N 3.15Å; H6-E8 PolarHBondContact O-N 2.82Å; H6-E8 VanDerWaalsContact O-N 3.12Å |
| 7 | T | 38.7 | Very low | 36.5 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 37% | 0.368 | 56% | 0.558 | S | S | . | * | trans | -84.2 | 87 | 168.1 | 31.6 | 0 | 0 | 0 | 0 | 109.7 | F9 | T7-F9 VanDerWaalsContact CB-CE2 3.41Å; T7-F9 HydrophobicContact CG2-CE2 4.26Å; T7-F9 HydrophobicContact CG2-CZ 4.34Å; T7-F9 VanDerWaalsContact O-CD2 3.24Å; T7-F9 WeakPolarHBondContact O-CD2 3.49Å; T7-F9 PolarHBondContact O-N 3.09Å; T7-F9 WeakPolarHBondContact OG1-CE2 3.45Å | ||
| 8 | E | 37 | Very low | 37.2 | Very low | 174 Ų | 174 | 115.4 Ų | 115.4 | 81% | 0.813 | 57% | 0.569 | S | S | * | * | trans | -63.8 | 87.8 | 164 | -68.2 | -175.9 | 100.7 | 0 | 0 | 108.5 | H6 V10 | H6-E8 PolarHBondContact O-N 2.82Å; H6-E8 VanDerWaalsContact O-N 3.12Å; E8-V10 VanDerWaalsContact C-N 3.28Å; E8-V10 PolarHBondContact O-N 2.84Å | ||
| 9 | F | 40.4 | Very low | 37.1 | Very low | 34 Ų | 34 | 120.5 Ų | 120.5 | 15% | 0.149 | 58% | 0.582 | C | S | . | * | trans | -71.9 | 84.5 | 175 | -76.2 | -81.3 | 0 | 0 | 0 | 109.8 | T7 H11 | T7-F9 VanDerWaalsContact CB-CE2 3.41Å; T7-F9 HydrophobicContact CG2-CE2 4.26Å; T7-F9 HydrophobicContact CG2-CZ 4.34Å; T7-F9 VanDerWaalsContact O-CD2 3.24Å; T7-F9 WeakPolarHBondContact O-CD2 3.49Å; T7-F9 PolarHBondContact O-N 3.09Å; T7-F9 WeakPolarHBondContact OG1-CE2 3.45Å; F9-H11 PolarHBondContact O-N 2.06Å | ||
| 10 | V | 37.9 | Very low | 37.2 | Very low | 92 Ų | 92 | 122 Ų | 122 | 56% | 0.558 | 59% | 0.586 | S | S | * | * | trans | -78.1 | 76 | 173.6 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | E8 | E8-V10 VanDerWaalsContact C-N 3.28Å; E8-V10 PolarHBondContact O-N 2.84Å | ||
| 11 | H | 38.8 | Very low | 37.5 | Very low | 42 Ų | 42 | 117.9 Ų | 117.9 | 19% | 0.194 | 57% | 0.569 | C | S | . | * | trans | -70.8 | 130.9 | 162.6 | -81.3 | 48.2 | 0 | 0 | 0 | 108.6 | F9 L13 L78 | F9-H11 PolarHBondContact O-N 2.06Å; H11-L13 VanDerWaalsContact C-N 3.35Å; H11-L13 PolarHBondContact O-N 3.27Å; H11-L78 HydrophobicContact CB-CD1 3.98Å | ||
| 12 | P | 41.9 | Very low | 38 | Very low | 90 Ų | 90 | 110.6 Ų | 110.6 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | trans | -67.8 | 95.9 | 177.8 | 26.4 | -31.7 | 0 | 0 | 0 | 109.1 | R14 | P12-R14 PolarHBondContact O-N 3.31Š| ||
| 13 | L | 42.8 | Very low | 38.8 | Very low | 17 Ų | 17 | 108.7 Ų | 108.7 | 9% | 0.089 | 52% | 0.524 | C | S | . | . | trans | -66.2 | 119.3 | 170.2 | -73.5 | 170.3 | 0 | 0 | 0 | 108.6 | H11 C15 C21 L23 V69 C76 L78 | H11-L13 VanDerWaalsContact C-N 3.35Å; H11-L13 PolarHBondContact O-N 3.27Å; L13-C15 PolarHBondContact O-N 3.22Å; L13-C21 HydrophobicContact CB-CB 4.17Å; L13-C21 HydrophobicContact CD1-CB 4.3Å; L13-C21 HydrophobicContact CD2-CB 4.16Å; L13-C21 HydrophobicContact CG-CB 4.48Å; L13-L23 HydrophobicContact CD2-CD1 4.44Å; L13-L23 HydrophobicContact CD2-CG 3.92Å; L13-V69 HydrophobicContact CD1-CB 4.25Å; L13-V69 HydrophobicContact CD1-CG1 3.57Å; L13-V69 HydrophobicContact CD1-CG2 4.01Å; L13-C76 HydrophobicContact CB-CB 3.73Å; L13-C76 HydrophobicContact CD1-CB 3.8Å; L13-C76 HydrophobicContact CG-CB 4.45Å; L13-L78 HydrophobicContact CD1-CD2 3.73Å; L13-L78 HydrophobicContact CD1-CG 3.8Å; L13-L78 HydrophobicContact CD2-CD1 4.15Å; L13-L78 HydrophobicContact CD2-CD2 3.95Å; L13-L78 HydrophobicContact CD2-CG 3.99Å; L13-L78 HydrophobicContact CG-CD1 4.44Å; L13-L78 HydrophobicContact CG-CD2 4.17Å; L13-L78 HydrophobicContact CG-CG 3.91Å | ||
| 14 | R | 40 | Very low | 39.7 | Very low | 148 Ų | 148 | 104.8 Ų | 104.8 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 110 | 166.9 | -79.3 | -178.8 | 167.7 | 170 | -6.9 | 107.9 | P12 T22 D24 | P12-R14 PolarHBondContact O-N 3.31Å; R14-T22 PolarHBondContact N-O 2.74Å; R14-T22 PolarHBondContact O-N 3.04Å; R14-T22 PolarHBondContact O-OG1 3.46Å; R14-D24 IonicContact CZ-OD1 3.64Å; R14-D24 IonicContact NE-OD1 3.85Å; R14-D24 IonicContact NH1-OD1 2.57Å; R14-D24 PolarHBondContact NH1-OD1 2.88Å |
| 15 | C | 40.7 | Very low | 40.1 | Very low | 40 Ų | 40 | 104.2 Ų | 104.2 | 27% | 0.27 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 110 | 176 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | L13 F20 C21 C76 | L13-C15 PolarHBondContact O-N 3.22Å; C15-F20 CarbonylContact C-O 3.56Å; C15-F20 VanDerWaalsContact CA-O 3.28Å; C15-F20 WeakPolarHBondContact CA-O 3.37Å; C15-C21 HydrophobicContact CB-CB 4.27Å; C15-C21 WeakPolarHBondContact CB-SG 3.12Å; C15-C21 WeakPolarHBondContact SG-CB 3.27Å; C15-C21 CovalentContact SG-SG 2.06Å; C15-C21 PolarHBondContact SG-SG 3.37Å; C15-C76 WeakPolarHBondContact SG-CB 3.38Å; C15-C76 PolarHBondContact SG-SG 2.93Å |
| 16 | M | 37.6 | Very low | 40.6 | Very low | 144 Ų | 144 | 99.2 Ų | 99.2 | 71% | 0.709 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.4 | 169.4 | -93.6 | -162.8 | -171.8 | 0 | 0 | 109.2 | N18 R19 F20 | M16-N18 PolarHBondContact O-N 2.84Å; M16-N18 VanDerWaalsContact O-N 3.15Å; M16-R19 PolarHBondContact O-N 3.38Å; M16-F20 PolarHBondContact N-O 2.85Å; M16-F20 PolarHBondContact O-N 3.28Å |
| 17 | N | 41.6 | Very low | 40.9 | Very low | 148 Ų | 148 | 99.2 Ų | 99.2 | 79% | 0.791 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.7 | 172.2 | -67.3 | -27.7 | 0 | 0 | 0 | 114.7 | R19 | N17-R19 WeakPolarHBondContact O-CG 3.2Å; N17-R19 PolarHBondContact O-N 2.82Å |
| 18 | N | 47.8 | Very low | 40.8 | Very low | 144 Ų | 144 | 99.3 Ų | 99.3 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 16.8 | 179.8 | -69.1 | 22.9 | 0 | 0 | 0 | 115.1 | M16 | M16-N18 PolarHBondContact O-N 2.84Å; M16-N18 VanDerWaalsContact O-N 3.15Å |
| 19 | R | 36.3 | Very low | 40.7 | Very low | 213 Ų | 213 | 98.8 Ų | 98.8 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -28.9 | -175.9 | -72.9 | -171.6 | -171.7 | -169.5 | 3.1 | 113.8 | M16 N17 | M16-R19 PolarHBondContact O-N 3.38Å; N17-R19 WeakPolarHBondContact O-CG 3.2Å; N17-R19 PolarHBondContact O-N 2.82Å |
| 20 | F | 38.8 | Very low | 40.8 | Very low | 150 Ų | 150 | 102 Ų | 102 | 66% | 0.658 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.8 | -177.8 | -58 | -79.2 | 0 | 0 | 0 | 109 | C15 M16 | C15-F20 CarbonylContact C-O 3.56Å; C15-F20 VanDerWaalsContact CA-O 3.28Å; C15-F20 WeakPolarHBondContact CA-O 3.37Å; M16-F20 PolarHBondContact N-O 2.85Å; M16-F20 PolarHBondContact O-N 3.28Å |
| 21 | C | 42.8 | Very low | 41 | Very low | 36 Ų | 36 | 103.8 Ų | 103.8 | 24% | 0.243 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.4 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 107.8 | L13 C15 V69 | L13-C21 HydrophobicContact CB-CB 4.17Å; L13-C21 HydrophobicContact CD1-CB 4.3Å; L13-C21 HydrophobicContact CD2-CB 4.16Å; L13-C21 HydrophobicContact CG-CB 4.48Å; C15-C21 HydrophobicContact CB-CB 4.27Å; C15-C21 WeakPolarHBondContact CB-SG 3.12Å; C15-C21 WeakPolarHBondContact SG-CB 3.27Å; C15-C21 CovalentContact SG-SG 2.06Å; C15-C21 PolarHBondContact SG-SG 3.37Å; C21-V69 HydrophobicContact CB-CG1 4.16Å |
| 22 | T | 43.2 | Very low | 41.1 | Very low | 85 Ų | 85 | 107.3 Ų | 107.3 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.1 | 172.5 | 47.9 | 0 | 0 | 0 | 0 | 108.2 | R14 D24 | R14-T22 PolarHBondContact N-O 2.74Å; R14-T22 PolarHBondContact O-N 3.04Å; R14-T22 PolarHBondContact O-OG1 3.46Å; T22-D24 PolarHBondContact O-N 3.15Å; T22-D24 VanDerWaalsContact O-N 3.08Å |
| 23 | L | 46 | Very low | 40.9 | Very low | 67 Ų | 67 | 106.7 Ų | 106.7 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | trans | -61.5 | 108.3 | 164.8 | -91 | 120.9 | 0 | 0 | 0 | 108.2 | L13 F25 L78 | L13-L23 HydrophobicContact CD2-CD1 4.44Å; L13-L23 HydrophobicContact CD2-CG 3.92Å; L23-F25 HydrophobicContact CB-CD2 4.08Å; L23-F25 HydrophobicContact CB-CE2 3.57Å; L23-F25 HydrophobicContact CB-CZ 3.87Å; L23-F25 HydrophobicContact CD2-CE1 3.94Å; L23-F25 HydrophobicContact CD2-CE2 4.31Å; L23-F25 HydrophobicContact CD2-CZ 3.71Å; L23-F25 HydrophobicContact CG-CE2 4.46Å; L23-F25 HydrophobicContact CG-CZ 4.29Å; L23-F25 WeakPolarHBondContact O-CD2 3.28Å; L23-F25 PolarHBondContact O-N 3.31Å; L23-F25 VanDerWaalsContact O-N 3.16Å; L23-L78 HydrophobicContact CD1-CD1 4.22Å; L23-L78 HydrophobicContact CD2-CD1 3.38Å; L23-L78 HydrophobicContact CG-CD1 3.86Å | ||
| 24 | D | 43.5 | Very low | 40.9 | Very low | 41 Ų | 41 | 111 Ų | 111 | 22% | 0.219 | 56% | 0.559 | C | S | . | * | trans | -86.2 | 81.5 | 177 | -169 | -155.9 | 0 | 0 | 0 | 109.1 | R14 T22 S26 K27 | R14-D24 IonicContact CZ-OD1 3.64Å; R14-D24 IonicContact NE-OD1 3.85Å; R14-D24 IonicContact NH1-OD1 2.57Å; R14-D24 PolarHBondContact NH1-OD1 2.88Å; T22-D24 PolarHBondContact O-N 3.15Å; T22-D24 VanDerWaalsContact O-N 3.08Å; D24-S26 PolarHBondContact O-N 3.12Å; D24-S26 VanDerWaalsContact O-N 3.12Å; D24-S26 PolarHBondContact OD1-OG 2.92Å; D24-S26 VanDerWaalsContact OD1-OG 3.09Å; D24-S26 WeakPolarHBondContact OD2-CB 3.35Å; D24-S26 PolarHBondContact OD2-OG 2.85Å; D24-K27 PolarHBondContact O-N 2.87Å | ||
| 25 | F | 44.3 | Very low | 40.8 | Very low | 135 Ų | 135 | 106.5 Ų | 106.5 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -65.1 | -7.6 | 173.4 | -61.3 | -80.1 | 0 | 0 | 0 | 112.7 | L23 K27 C28 | L23-F25 HydrophobicContact CB-CD2 4.08Å; L23-F25 HydrophobicContact CB-CE2 3.57Å; L23-F25 HydrophobicContact CB-CZ 3.87Å; L23-F25 HydrophobicContact CD2-CE1 3.94Å; L23-F25 HydrophobicContact CD2-CE2 4.31Å; L23-F25 HydrophobicContact CD2-CZ 3.71Å; L23-F25 HydrophobicContact CG-CE2 4.46Å; L23-F25 HydrophobicContact CG-CZ 4.29Å; L23-F25 WeakPolarHBondContact O-CD2 3.28Å; L23-F25 PolarHBondContact O-N 3.31Å; L23-F25 VanDerWaalsContact O-N 3.16Å; F25-K27 PolarHBondContact O-N 3.32Å; F25-C28 WeakPolarHBondContact O-CB 3.32Å; F25-C28 PolarHBondContact O-N 3.12Å; F25-C28 VanDerWaalsContact O-N 3.11Å; F25-C28 PolarHBondContact O-SG 3.19Å |
| 26 | S | 42.1 | Very low | 40.6 | Very low | 91 Ų | 91 | 108.8 Ų | 108.8 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -65.1 | -20.6 | 175.5 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | D24 | D24-S26 PolarHBondContact O-N 3.12Å; D24-S26 VanDerWaalsContact O-N 3.12Å; D24-S26 PolarHBondContact OD1-OG 2.92Å; D24-S26 VanDerWaalsContact OD1-OG 3.09Å; D24-S26 WeakPolarHBondContact OD2-CB 3.35Å; D24-S26 PolarHBondContact OD2-OG 2.85Å |
| 27 | K | 37.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 105.3 Ų | 105.3 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -104 | 29.9 | 173 | -62.5 | -152.1 | 174.6 | -150.2 | 0 | 113.3 | D24 F25 E29 | D24-K27 PolarHBondContact O-N 2.87Å; F25-K27 PolarHBondContact O-N 3.32Å; K27-E29 PolarHBondContact O-N 3.09Å |
| 28 | C | 34.9 | Very low | 40.2 | Very low | 62 Ų | 62 | 105.5 Ų | 105.5 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | trans | -66 | 35.8 | 163.1 | -72 | 0 | 0 | 0 | 0 | 112.4 | F25 D30 | F25-C28 WeakPolarHBondContact O-CB 3.32Å; F25-C28 PolarHBondContact O-N 3.12Å; F25-C28 VanDerWaalsContact O-N 3.11Å; F25-C28 PolarHBondContact O-SG 3.19Å; C28-D30 PolarHBondContact O-N 2.78Å | ||
| 29 | E | 35.9 | Very low | 39.6 | Very low | 163 Ų | 163 | 103.5 Ų | 103.5 | 76% | 0.762 | 52% | 0.523 | S | S | * | . | trans | -76.1 | 106.9 | 168.8 | -75.1 | -170.8 | 99.2 | 0 | 0 | 107.4 | K27 | K27-E29 PolarHBondContact O-N 3.09Š| ||
| 30 | D | 41.5 | Very low | 39.6 | Very low | 103 Ų | 103 | 100.9 Ų | 100.9 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 90.6 | -14.8 | 149.8 | -85.2 | -114.2 | 0 | 0 | 0 | 122 | C28 K36 | C28-D30 PolarHBondContact O-N 2.78Å; D30-K36 VanDerWaalsContact CG-NZ 3.31Å; D30-K36 WeakPolarHBondContact O-CD 3.37Å; D30-K36 PolarHBondContact O-NZ 3.3Å; D30-K36 IonicContact OD1-NZ 3.19Å; D30-K36 PolarHBondContact OD1-NZ 2.81Å |
| 31 | D | 43 | Very low | 39.3 | Very low | 129 Ų | 129 | 96.6 Ų | 96.6 | 69% | 0.69 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -107.5 | -13.6 | -178.5 | -133.3 | -98.3 | 0 | 0 | 0 | 115 | ||
| 32 | F | 41.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | trans | -106.2 | 33 | 175.4 | -143.2 | -90.7 | 0 | 0 | 0 | 112 | P34 | F32-P34 WeakPolarHBondContact O-CD 3.24Š| ||
| 33 | D | 37.8 | Very low | 38.1 | Very low | 76 Ų | 76 | 101.2 Ų | 101.2 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | trans | -87.1 | 105.3 | 169 | -156.9 | -58.2 | 0 | 0 | 0 | 107.9 | A35 K36 Q37 | D33-A35 PolarHBondContact O-N 3.14Å; D33-A35 WeakPolarHBondContact OD1-CA 3.33Å; D33-A35 WeakPolarHBondContact OD1-CB 3.49Å; D33-A35 PolarHBondContact OD1-N 3.08Å; D33-K36 HydrophobicContact CB-CB 4.23Å; D33-K36 HydrophobicContact CB-CD 4.18Å; D33-K36 HydrophobicContact CB-CG 4Å; D33-K36 PolarHBondContact O-N 3.16Å; D33-Q37 PolarHBondContact O-N 3.21Å | ||
| 34 | P | 41.4 | Very low | 37.8 | Very low | 107 Ų | 107 | 102.1 Ų | 102.1 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.5 | -23.6 | 178.1 | 22.8 | -32.4 | 0 | 0 | 0 | 111.7 | F32 K38 | F32-P34 WeakPolarHBondContact O-CD 3.24Å; P34-K38 PolarHBondContact O-N 3.11Å |
| 35 | A | 37.5 | Very low | 37.2 | Very low | 55 Ų | 55 | 107.9 Ų | 107.9 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.8 | -26.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D33 K38 I39 | D33-A35 PolarHBondContact O-N 3.14Å; D33-A35 WeakPolarHBondContact OD1-CA 3.33Å; D33-A35 WeakPolarHBondContact OD1-CB 3.49Å; D33-A35 PolarHBondContact OD1-N 3.08Å; A35-K38 WeakPolarHBondContact O-CB 3.39Å; A35-K38 PolarHBondContact O-N 3.23Å; A35-I39 PolarHBondContact O-N 2.81Å |
| 36 | K | 37.7 | Very low | 36.6 | Very low | 87 Ų | 87 | 108.4 Ų | 108.4 | 38% | 0.378 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -76 | -36.3 | 175.5 | -75.8 | -174.9 | -178 | -175.4 | 0 | 113.2 | D30 D33 K38 I39 E40 | D30-K36 VanDerWaalsContact CG-NZ 3.31Å; D30-K36 WeakPolarHBondContact O-CD 3.37Å; D30-K36 PolarHBondContact O-NZ 3.3Å; D30-K36 IonicContact OD1-NZ 3.19Å; D30-K36 PolarHBondContact OD1-NZ 2.81Å; D33-K36 HydrophobicContact CB-CB 4.23Å; D33-K36 HydrophobicContact CB-CD 4.18Å; D33-K36 HydrophobicContact CB-CG 4Å; D33-K36 PolarHBondContact O-N 3.16Å; K36-K38 PolarHBondContact O-N 3.32Å; K36-I39 WeakPolarHBondContact O-CB 3.5Å; K36-I39 PolarHBondContact O-N 2.9Å; K36-E40 PolarHBondContact O-N 3.49Å |
| 37 | Q | 37.5 | Very low | 36.2 | Very low | 71 Ų | 71 | 115.1 Ų | 115.1 | 33% | 0.332 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.3 | -30.5 | 168.3 | -74.9 | -165.7 | 2.3 | 0 | 0 | 111.4 | D33 I39 E40 A41 | D33-Q37 PolarHBondContact O-N 3.21Å; Q37-I39 VanDerWaalsContact C-N 3.25Å; Q37-I39 PolarHBondContact O-N 3.39Å; Q37-E40 PolarHBondContact O-N 3.29Å; Q37-A41 VanDerWaalsContact O-CB 3.31Å; Q37-A41 WeakPolarHBondContact O-CB 3.35Å; Q37-A41 PolarHBondContact O-N 3.29Å |
| 38 | K | 32.7 | Very low | 35.9 | Very low | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.665 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.5 | -31.8 | 172.7 | -153.8 | 175.3 | -176.5 | 174.6 | 0 | 112.1 | P34 A35 K36 S42 | P34-K38 PolarHBondContact O-N 3.11Å; A35-K38 WeakPolarHBondContact O-CB 3.39Å; A35-K38 PolarHBondContact O-N 3.23Å; K36-K38 PolarHBondContact O-N 3.32Å; K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 2.97Å; K38-S42 PolarHBondContact O-OG 2.6Å |
| 39 | I | 35.1 | Very low | 35.6 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.6 | -44.6 | 177.8 | -59.2 | 171.9 | 0 | 0 | 0 | 110.7 | A35 K36 Q37 S42 M43 | A35-I39 PolarHBondContact O-N 2.81Å; K36-I39 WeakPolarHBondContact O-CB 3.5Å; K36-I39 PolarHBondContact O-N 2.9Å; Q37-I39 VanDerWaalsContact C-N 3.25Å; Q37-I39 PolarHBondContact O-N 3.39Å; I39-S42 PolarHBondContact O-N 2.57Å; I39-M43 HydrophobicContact CG2-CE 4.46Å; I39-M43 PolarHBondContact O-N 3.03Å |
| 40 | E | 35.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 176.6 | -82.3 | -169.6 | 90.5 | 0 | 0 | 112.4 | K36 Q37 S42 M43 A44 | K36-E40 PolarHBondContact O-N 3.49Å; Q37-E40 PolarHBondContact O-N 3.29Å; E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 3.39Å; E40-M43 PolarHBondContact O-N 3.48Å; E40-A44 PolarHBondContact O-N 3.19Å |
| 41 | A | 33.9 | Very low | 35.1 | Very low | 60 Ų | 60 | 117.9 Ų | 117.9 | 50% | 0.496 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.1 | -33.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q37 A44 | Q37-A41 VanDerWaalsContact O-CB 3.31Å; Q37-A41 WeakPolarHBondContact O-CB 3.35Å; Q37-A41 PolarHBondContact O-N 3.29Å; A41-A44 PolarHBondContact O-N 3.27Å |
| 42 | S | 29.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 49% | 0.49 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.4 | -33.8 | 176.1 | -63 | 0 | 0 | 0 | 0 | 112.4 | K38 I39 E40 A44 Q45 | K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 2.97Å; K38-S42 PolarHBondContact O-OG 2.6Å; I39-S42 PolarHBondContact O-N 2.57Å; E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 3.39Å; S42-A44 PolarHBondContact O-N 2.94Å; S42-Q45 PolarHBondContact O-N 3.03Å; S42-Q45 VanDerWaalsContact O-N 3.12Å |
| 43 | M | 30.8 | Very low | 34.6 | Very low | 147 Ų | 147 | 116.9 Ų | 116.9 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.1 | -23.2 | 173.7 | -73.3 | -165.3 | 176.7 | 0 | 0 | 112.7 | I39 E40 Q45 | I39-M43 HydrophobicContact CG2-CE 4.46Å; I39-M43 PolarHBondContact O-N 3.03Å; E40-M43 PolarHBondContact O-N 3.48Å; M43-Q45 VanDerWaalsContact C-N 3.26Å; M43-Q45 PolarHBondContact O-N 3.34Å |
| 44 | A | 38.9 | Very low | 34.4 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -11.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | E40 A41 S42 | E40-A44 PolarHBondContact O-N 3.19Å; A41-A44 PolarHBondContact O-N 3.27Å; S42-A44 PolarHBondContact O-N 2.94Å |
| 45 | Q | 31 | Very low | 34 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 17.6 | 179.5 | -72.2 | -169 | -52.5 | 0 | 0 | 114.1 | S42 M43 R47 | S42-Q45 PolarHBondContact O-N 3.03Å; S42-Q45 VanDerWaalsContact O-N 3.12Å; M43-Q45 VanDerWaalsContact C-N 3.26Å; M43-Q45 PolarHBondContact O-N 3.34Å; Q45-R47 PolarHBondContact O-N 2.77Å |
| 46 | D | 31.5 | Very low | 34.1 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | trans | -70.5 | 51.9 | 169.6 | -166.1 | -111.3 | 0 | 0 | 0 | 112.3 | ||||
| 47 | R | 33.8 | Very low | 34 | Very low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -158.3 | 75.2 | 162.6 | -71 | -160.9 | 179 | 163.5 | 1.1 | 108.7 | Q45 | Q45-R47 PolarHBondContact O-N 2.77Š|
| 48 | S | 31.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 170.6 | 108.9 | 138 | -74.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 49 | D | 29.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | 28.2 | 113.6 | 150.4 | -63.4 | -87.9 | 0 | 0 | 0 | 118.8 | I51 | D49-I51 PolarHBondContact O-N 3.03Å; D49-I51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | A | 33.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -45 | 109.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 51 | I | 33 | Very low | 35.7 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -120.6 | 125.7 | 160.6 | -56.2 | -179.1 | 0 | 0 | 0 | 106.2 | D49 | D49-I51 PolarHBondContact O-N 3.03Å; D49-I51 VanDerWaalsContact O-N 3.11Å | ||
| 52 | P | 35.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -65.8 | 137.2 | -163 | 24 | -32.4 | 0 | 0 | 0 | 112.1 | D54 | P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 PolarHBondContact O-N 3.45Å | ||
| 53 | A | 39.2 | Very low | 37.9 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 88% | 0.884 | 70% | 0.701 | S | S | * | * | trans | -60 | 82.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 54 | D | 32.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -98.6 | 110.6 | 164.7 | -158.9 | -104.4 | 0 | 0 | 0 | 107.2 | P52 | P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 PolarHBondContact O-N 3.45Å | ||
| 55 | N | 33.7 | Very low | 40.3 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | 59.2 | 60.3 | 158.5 | -54.2 | -31.6 | 0 | 0 | 0 | 116 | D57 | N55-D57 VanDerWaalsContact C-N 3.32Å; N55-D57 PolarHBondContact O-N 3.32Å; N55-D57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | V | 39.5 | Very low | 41.7 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 83% | 0.83 | 66% | 0.656 | S | S | * | * | trans | -75.6 | 99.5 | 152.5 | 179.3 | 0 | 0 | 0 | 0 | 106 | D58 | V56-D58 PolarHBondContact O-N 3.12Å; V56-D58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | D | 35.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 108.2 Ų | 108.2 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -25.9 | 113.5 | 161.1 | -141.2 | -109.6 | 0 | 0 | 0 | 109 | N55 S59 | N55-D57 VanDerWaalsContact C-N 3.32Å; N55-D57 PolarHBondContact O-N 3.32Å; N55-D57 VanDerWaalsContact O-N 3.13Å; D57-S59 PolarHBondContact O-N 3.34Å | ||
| 58 | D | 39 | Very low | 44.6 | Very low | 143 Ų | 143 | 101.6 Ų | 101.6 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | trans | -69.4 | 61.5 | 173.1 | -155.4 | -73.3 | 0 | 0 | 0 | 107.3 | V56 S60 | V56-D58 PolarHBondContact O-N 3.12Å; V56-D58 VanDerWaalsContact O-N 3.12Å; D58-S60 PolarHBondContact O-N 2.95Å; D58-S60 PolarHBondContact O-OG 3.23Å; D58-S60 PolarHBondContact OD1-OG 2.9Å | ||
| 59 | S | 38.8 | Very low | 46.2 | Very low | 51 Ų | 51 | 99.6 Ų | 99.6 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -73 | 78.2 | 160.9 | -176.3 | 0 | 0 | 0 | 0 | 105.1 | D57 T61 E87 | D57-S59 PolarHBondContact O-N 3.34Å; S59-T61 PolarHBondContact O-N 2.61Å; S59-E87 PolarHBondContact OG-OE1 3.36Å | ||
| 60 | S | 50.1 | Low | 47.5 | Very low | 81 Ų | 81 | 95 Ų | 95 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | trans | -63.8 | 76.5 | 160.1 | 10.5 | 0 | 0 | 0 | 0 | 106 | D58 S62 | D58-S60 PolarHBondContact O-N 2.95Å; D58-S60 PolarHBondContact O-OG 3.23Å; D58-S60 PolarHBondContact OD1-OG 2.9Å; S60-S62 PolarHBondContact O-N 2.97Å; S60-S62 PolarHBondContact O-OG 3.3Å | ||
| 61 | T | 49.6 | Very low | 48.7 | Very low | 74 Ų | 74 | 94.7 Ų | 94.7 | 45% | 0.454 | 56% | 0.558 | S | S | . | * | trans | -43.2 | 102.2 | 170.3 | 22.4 | 0 | 0 | 0 | 0 | 107.7 | S59 A63 E87 | S59-T61 PolarHBondContact O-N 2.61Å; T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3.38Å; T61-E87 HydrophobicContact CG2-CG 3.98Å; T61-E87 WeakPolarHBondContact CG2-OE2 2.86Å | ||
| 62 | S | 51.6 | Low | 49.8 | Very low | 84 Ų | 84 | 93 Ų | 93 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | trans | -77.3 | 84.3 | -179.9 | -62.4 | 0 | 0 | 0 | 0 | 106.3 | S60 C86 | S60-S62 PolarHBondContact O-N 2.97Å; S60-S62 PolarHBondContact O-OG 3.3Å; S62-C86 WeakPolarHBondContact O-CB 3.41Å; S62-C86 PolarHBondContact O-N 2.74Å; S62-C86 PolarHBondContact O-SG 3.37Å | ||
| 63 | A | 57.2 | Low | 51.1 | Low | 32 Ų | 32 | 90.3 Ų | 90.3 | 26% | 0.264 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T61 Q83 V84 D85 | T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3.38Å; A63-Q83 HydrophobicContact CB-CG 3.74Å; A63-V84 CarbonylContact C-O 3.58Å; A63-V84 WeakPolarHBondContact CA-O 3.09Å; A63-D85 WeakPolarHBondContact CB-OD1 3.47Å |
| 64 | V | 59 | Low | 51.7 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.2 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | Q83 V84 | V64-Q83 WeakPolarHBondContact O-CA 3.18Å; V64-V84 HydrophobicContact CB-CB 4.48Å; V64-V84 PolarHBondContact N-O 3.13Å; V64-V84 PolarHBondContact O-N 2.97Å |
| 65 | K | 61.9 | Low | 52.6 | Low | 81 Ų | 81 | 92 Ų | 92 | 35% | 0.352 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | 176.7 | -68.7 | -178.9 | 179.5 | -179.4 | 0 | 110.3 | L80 Q83 | K65-L80 HydrophobicContact CB-CD1 3.69Å; K65-L80 HydrophobicContact CD-CD1 4.26Å; K65-L80 HydrophobicContact CG-CD1 4.01Å; K65-Q83 HydrophobicContact CG-CB 4.43Å; K65-Q83 HydrophobicContact CG-CG 4.07Å |
| 66 | V | 59 | Low | 53.3 | Low | 65 Ų | 65 | 86.2 Ų | 86.2 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.1 | 173.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | I81 D82 | V66-I81 PolarHBondContact O-N 2.97Å; V66-D82 HydrophobicContact CB-CB 3.97Å; V66-D82 HydrophobicContact CG2-CB 4.22Å; V66-D82 PolarHBondContact N-O 2.85Å; V66-D82 PolarHBondContact O-N 2.87Å; V66-D82 VanDerWaalsContact O-N 3.14Å |
| 67 | V | 70.3 | Confident | 54.1 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 38% | 0.376 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.6 | -176.3 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | L78 K79 L80 | V67-L78 HydrophobicContact CB-CD2 4.29Å; V67-L78 HydrophobicContact CG2-CD2 3.92Å; V67-K79 CarbonylContact C-O 3.55Å; V67-K79 WeakPolarHBondContact CA-O 3.15Å; V67-L80 HydrophobicContact CG1-CD1 4Å |
| 68 | E | 57.8 | Low | 55.3 | Low | 94 Ų | 94 | 75.5 Ų | 75.5 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139.1 | 167.6 | -155.9 | 171.6 | -145.4 | 0 | 0 | 109.2 | V70 L78 K79 I81 | E68-V70 HydrophobicContact CB-CG2 4.31Å; E68-V70 HydrophobicContact CG-CG2 4.25Å; E68-L78 CarbonylContact O-C 3.52Å; E68-L78 WeakPolarHBondContact O-CA 2.98Å; E68-K79 HydrophobicContact CB-CB 4.28Å; E68-K79 PolarHBondContact N-O 2.8Å; E68-K79 PolarHBondContact O-N 3.24Å; E68-I81 HydrophobicContact CB-CD1 3.48Å; E68-I81 VanDerWaalsContact CB-CD1 3.48Å; E68-I81 HydrophobicContact CB-CG1 3.6Å; E68-I81 HydrophobicContact CG-CD1 4.02Å |
| 69 | V | 64 | Low | 56.2 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 39% | 0.394 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112.1 | 164.1 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | L13 C21 I71 L78 | L13-V69 HydrophobicContact CD1-CB 4.25Å; L13-V69 HydrophobicContact CD1-CG1 3.57Å; L13-V69 HydrophobicContact CD1-CG2 4.01Å; C21-V69 HydrophobicContact CB-CG1 4.16Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG2-CD2 3.61Å |
| 70 | V | 57.3 | Low | 57.2 | Low | 52 Ų | 52 | 75.1 Ų | 75.1 | 32% | 0.315 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 109 | E68 C76 C77 K79 | E68-V70 HydrophobicContact CB-CG2 4.31Å; E68-V70 HydrophobicContact CG-CG2 4.25Å; V70-C76 CarbonylContact O-C 3.59Å; V70-C76 WeakPolarHBondContact O-CA 3.16Å; V70-C77 PolarHBondContact N-O 2.77Å; V70-C77 PolarHBondContact O-N 3.31Å; V70-K79 HydrophobicContact CG2-CB 3.92Å; V70-K79 HydrophobicContact CG2-CD 4.41Å |
| 71 | I | 57.7 | Low | 58 | Low | 103 Ų | 103 | 76.2 Ų | 76.2 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 111.7 | 177.4 | -52.6 | -175.4 | 0 | 0 | 0 | 108.3 | V69 K75 | V69-I71 HydrophobicContact CG1-CG1 4.42Å; I71-K75 CarbonylContact C-O 3.49Å |
| 72 | D | 56.1 | Low | 58.5 | Low | 116 Ų | 116 | 77 Ų | 77 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 92.1 | 175.1 | -175.2 | 56 | 0 | 0 | 0 | 109.7 | K75 | D72-K75 CarbonylContact C-O 3.51Å; D72-K75 PolarHBondContact N-O 2.85Å; D72-K75 WeakPolarHBondContact O-CB 3.33Å; D72-K75 PolarHBondContact O-N 2.98Å |
| 73 | G | 63 | Low | 58.8 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -122.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 74 | P | 53.3 | Low | 58.7 | Low | 133 Ų | 133 | 78.4 Ų | 78.4 | 86% | 0.864 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.8 | 175.9 | 35 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 75 | K | 50.1 | Low | 58.6 | Low | 140 Ų | 140 | 78 Ų | 78 | 61% | 0.609 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.9 | -177.3 | -61.9 | -179.6 | -178.7 | 177.1 | 0 | 110.1 | I71 D72 | I71-K75 CarbonylContact C-O 3.49Å; D72-K75 CarbonylContact C-O 3.51Å; D72-K75 PolarHBondContact N-O 2.85Å; D72-K75 WeakPolarHBondContact O-CB 3.33Å; D72-K75 PolarHBondContact O-N 2.98Å |
| 76 | C | 48.1 | Very low | 58.3 | Low | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.9 | 170.3 | -63.6 | 0 | 0 | 0 | 0 | 108.8 | L13 C15 V70 | L13-C76 HydrophobicContact CB-CB 3.73Å; L13-C76 HydrophobicContact CD1-CB 3.8Å; L13-C76 HydrophobicContact CG-CB 4.45Å; C15-C76 WeakPolarHBondContact SG-CB 3.38Å; C15-C76 PolarHBondContact SG-SG 2.93Å; V70-C76 CarbonylContact O-C 3.59Å; V70-C76 WeakPolarHBondContact O-CA 3.16Å |
| 77 | C | 57.5 | Low | 58 | Low | 37 Ų | 37 | 80.1 Ų | 80.1 | 25% | 0.25 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 152.5 | -177.8 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | V70 | V70-C77 PolarHBondContact N-O 2.77Å; V70-C77 PolarHBondContact O-N 3.31Å |
| 78 | L | 59.4 | Low | 56.8 | Low | 14 Ų | 14 | 82.6 Ų | 82.6 | 7% | 0.073 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.7 | 167 | -69.2 | 174.2 | 0 | 0 | 0 | 109 | H11 L13 L23 V67 E68 V69 | H11-L78 HydrophobicContact CB-CD1 3.98Å; L13-L78 HydrophobicContact CD1-CD2 3.73Å; L13-L78 HydrophobicContact CD1-CG 3.8Å; L13-L78 HydrophobicContact CD2-CD1 4.15Å; L13-L78 HydrophobicContact CD2-CD2 3.95Å; L13-L78 HydrophobicContact CD2-CG 3.99Å; L13-L78 HydrophobicContact CG-CD1 4.44Å; L13-L78 HydrophobicContact CG-CD2 4.17Å; L13-L78 HydrophobicContact CG-CG 3.91Å; L23-L78 HydrophobicContact CD1-CD1 4.22Å; L23-L78 HydrophobicContact CD2-CD1 3.38Å; L23-L78 HydrophobicContact CG-CD1 3.86Å; V67-L78 HydrophobicContact CB-CD2 4.29Å; V67-L78 HydrophobicContact CG2-CD2 3.92Å; E68-L78 CarbonylContact O-C 3.52Å; E68-L78 WeakPolarHBondContact O-CA 2.98Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG2-CD2 3.61Å |
| 79 | K | 58.3 | Low | 56 | Low | 130 Ų | 130 | 82 Ų | 82 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.9 | 173.4 | -175.2 | 179.4 | 178.1 | -176 | 0 | 108.2 | V67 E68 V70 I81 | V67-K79 CarbonylContact C-O 3.55Å; V67-K79 WeakPolarHBondContact CA-O 3.15Å; E68-K79 HydrophobicContact CB-CB 4.28Å; E68-K79 PolarHBondContact N-O 2.8Å; E68-K79 PolarHBondContact O-N 3.24Å; V70-K79 HydrophobicContact CG2-CB 3.92Å; V70-K79 HydrophobicContact CG2-CD 4.41Å; K79-I81 PolarHBondContact O-N 3.23Å |
| 80 | L | 60.9 | Low | 55 | Low | 56 Ų | 56 | 90.3 Ų | 90.3 | 29% | 0.293 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 121.5 | 172.5 | -172.7 | 69.5 | 0 | 0 | 0 | 108.7 | K65 V67 D82 | K65-L80 HydrophobicContact CB-CD1 3.69Å; K65-L80 HydrophobicContact CD-CD1 4.26Å; K65-L80 HydrophobicContact CG-CD1 4.01Å; V67-L80 HydrophobicContact CG1-CD1 4Å; L80-D82 WeakPolarHBondContact CD1-O 3.49Å |
| 81 | I | 66.1 | Low | 54.3 | Low | 104 Ų | 104 | 91.9 Ų | 91.9 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -41.7 | 175.9 | -48 | 176.9 | 0 | 0 | 0 | 109.4 | V66 E68 K79 | V66-I81 PolarHBondContact O-N 2.97Å; E68-I81 HydrophobicContact CB-CD1 3.48Å; E68-I81 VanDerWaalsContact CB-CD1 3.48Å; E68-I81 HydrophobicContact CB-CG1 3.6Å; E68-I81 HydrophobicContact CG-CD1 4.02Å; K79-I81 PolarHBondContact O-N 3.23Å |
| 82 | D | 59.4 | Low | 53.8 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158.6 | -173.2 | -156.5 | 6.5 | 0 | 0 | 0 | 111.3 | V66 L80 | V66-D82 HydrophobicContact CB-CB 3.97Å; V66-D82 HydrophobicContact CG2-CB 4.22Å; V66-D82 PolarHBondContact N-O 2.85Å; V66-D82 PolarHBondContact O-N 2.87Å; V66-D82 VanDerWaalsContact O-N 3.14Å; L80-D82 WeakPolarHBondContact CD1-O 3.49Å |
| 83 | Q | 58.7 | Low | 53.1 | Low | 75 Ų | 75 | 98.5 Ų | 98.5 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 115.7 | 172.9 | 177.6 | 175.2 | -30.4 | 0 | 0 | 108.1 | A63 V64 K65 | A63-Q83 HydrophobicContact CB-CG 3.74Å; V64-Q83 WeakPolarHBondContact O-CA 3.18Å; K65-Q83 HydrophobicContact CG-CB 4.43Å; K65-Q83 HydrophobicContact CG-CG 4.07Å |
| 84 | V | 54 | Low | 52.2 | Low | 71 Ų | 71 | 100.9 Ų | 100.9 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 105.6 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 108 | A63 V64 C86 | A63-V84 CarbonylContact C-O 3.58Å; A63-V84 WeakPolarHBondContact CA-O 3.09Å; V64-V84 HydrophobicContact CB-CB 4.48Å; V64-V84 PolarHBondContact N-O 3.13Å; V64-V84 PolarHBondContact O-N 2.97Å; V84-C86 PolarHBondContact O-N 2.72Å |
| 85 | D | 57.3 | Low | 51.9 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 115.3 | 171 | -67 | -67.4 | 0 | 0 | 0 | 109.7 | A63 E87 S88 | A63-D85 WeakPolarHBondContact CB-OD1 3.47Å; D85-E87 PolarHBondContact O-N 3.18Å; D85-S88 PolarHBondContact O-N 2.75Å |
| 86 | C | 56 | Low | 51.8 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -64.8 | -9.4 | 179.5 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | S62 V84 S88 | S62-C86 WeakPolarHBondContact O-CB 3.41Å; S62-C86 PolarHBondContact O-N 2.74Å; S62-C86 PolarHBondContact O-SG 3.37Å; V84-C86 PolarHBondContact O-N 2.72Å; C86-S88 PolarHBondContact O-N 2.78Å |
| 87 | E | 52.8 | Low | 51.8 | Low | 129 Ų | 129 | 118.4 Ų | 118.4 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -65 | -17.2 | 176.9 | -80.9 | -160.6 | 113.4 | 0 | 0 | 113.5 | S59 T61 D85 | S59-E87 PolarHBondContact OG-OE1 3.36Å; T61-E87 HydrophobicContact CG2-CG 3.98Å; T61-E87 WeakPolarHBondContact CG2-OE2 2.86Å; D85-E87 PolarHBondContact O-N 3.18Å |
| 88 | S | 45.3 | Very low | 51.5 | Low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -110.6 | 10.9 | -168.4 | -134.3 | 0 | 0 | 0 | 0 | 117.4 | D85 C86 | D85-S88 PolarHBondContact O-N 2.75Å; C86-S88 PolarHBondContact O-N 2.78Å |
| 89 | S | 41.5 | Very low | 51.1 | Low | 81 Ų | 81 | 128.2 Ų | 128.2 | 57% | 0.566 | 64% | 0.644 | S | S | * | * | trans | -117.6 | 77 | 168.9 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | V91 | S89-V91 PolarHBondContact O-N 3.28Š| ||
| 90 | R | 41.9 | Very low | 50.7 | Low | 241 Ų | 241 | 128.1 Ų | 128.1 | 91% | 0.909 | 65% | 0.648 | S | S | * | * | trans | -57.7 | 92.6 | 138 | -74.8 | -177.1 | 174.8 | 173.4 | -0.6 | 105.2 | D92 | R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 PolarHBondContact O-N 2.86Å | ||
| 91 | V | 43.8 | Very low | 50.1 | Low | 85 Ų | 85 | 132.3 Ų | 132.3 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | trans | -64 | 104.3 | 167.2 | 178.6 | 0 | 0 | 0 | 0 | 104.1 | S89 W93 | S89-V91 PolarHBondContact O-N 3.28Å; V91-W93 HydrophobicContact CG1-CD2 4.04Å; V91-W93 HydrophobicContact CG1-CG 4.07Å; V91-W93 HydrophobicContact CG1-CZ2 4.39Å; V91-W93 PolarHBondContact O-N 3.11Å | ||
| 92 | D | 45.4 | Very low | 49.1 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -65.1 | 86.3 | 165 | -140.2 | -99.4 | 0 | 0 | 0 | 104.8 | R90 | R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 PolarHBondContact O-N 2.86Å | ||
| 93 | W | 42.6 | Very low | 48.5 | Very low | 204 Ų | 204 | 137 Ų | 137 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.8 | 173 | -74.2 | 91.4 | 0 | 0 | 0 | 105.6 | V91 E95 | V91-W93 HydrophobicContact CG1-CD2 4.04Å; V91-W93 HydrophobicContact CG1-CG 4.07Å; V91-W93 HydrophobicContact CG1-CZ2 4.39Å; V91-W93 PolarHBondContact O-N 3.11Å; W93-E95 PolarHBondContact O-N 3.12Å |
| 94 | P | 43 | Very low | 47.7 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 117.3 | 178.2 | 23.2 | -31.5 | 0 | 0 | 0 | 107.5 | E96 | P94-E96 PolarHBondContact O-N 3.13Å; P94-E96 VanDerWaalsContact O-N 3.13Å |
| 95 | E | 48.8 | Very low | 47.2 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.2 | 172.6 | -71.8 | -173.7 | 87.2 | 0 | 0 | 107.1 | W93 E97 | W93-E95 PolarHBondContact O-N 3.12Å; E95-E97 PolarHBondContact O-N 2.81Å |
| 96 | E | 46.9 | Very low | 46.4 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 116.8 | 172.8 | -69.5 | -172.8 | 89.4 | 0 | 0 | 108.2 | P94 | P94-E96 PolarHBondContact O-N 3.13Å; P94-E96 VanDerWaalsContact O-N 3.13Å |
| 97 | E | 48.9 | Very low | 45.5 | Very low | 270 Ų | 270 | 161.4 Ų | 161.4 | 100% | 1.262 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 0 | 171.6 | -68.5 | -168.9 | 92.3 | 0 | 0 | 113 | E95 | E95-E97 PolarHBondContact O-N 2.81Š|
Retrieved 97 of 97 residues in 98.4 ms
(Link to these results)