| 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 | 38.1 | Very low | 34.7 | Very low | 228 Ų | 228 | 159.7 Ų | 159.7 | 100% | 1.123 | 83% | 0.834 | S | S | * | * | 0 | 97.8 | 0 | -74.5 | 172.9 | 176.6 | 0 | 0 | 108.2 | |||||
| 2 | H | 34.9 | Very low | 34.8 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | trans | -87.7 | 108.6 | 177.5 | -89.5 | -83.8 | 0 | 0 | 0 | 109.2 | T4 | H2-T4 PolarHBondContact O-N 3.21Š| ||
| 3 | F | 35.8 | Very low | 34.5 | Very low | 201 Ų | 201 | 162.8 Ų | 162.8 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -85.9 | 100.6 | 168.5 | -91.3 | -94.6 | 0 | 0 | 0 | 108.8 | S5 | F3-S5 PolarHBondContact O-N 3.44Š| ||
| 4 | T | 38.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 158.9 Ų | 158.9 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 106.3 | 168.6 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | H2 R6 | H2-T4 PolarHBondContact O-N 3.21Å; T4-R6 PolarHBondContact O-N 3.21Å; T4-R6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | S | 36.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -63.7 | 108.2 | 172.9 | 180 | 0 | 0 | 0 | 0 | 110.1 | F3 K7 | F3-S5 PolarHBondContact O-N 3.44Å; S5-K7 PolarHBondContact O-N 3.24Å | ||
| 6 | R | 37.4 | Very low | 34.9 | Very low | 232 Ų | 232 | 160.1 Ų | 160.1 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -72.5 | 103.7 | 167.1 | -75.1 | -175.1 | 177.3 | -159.5 | -0.3 | 107.8 | T4 C8 | T4-R6 PolarHBondContact O-N 3.21Å; T4-R6 VanDerWaalsContact O-N 3.15Å; R6-C8 PolarHBondContact O-N 3.21Å; R6-C8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | K | 36.2 | Very low | 35 | Very low | 196 Ų | 196 | 162.9 Ų | 162.9 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 105.2 | 167.8 | -78.2 | 178.8 | 175.7 | 176.7 | 0 | 109 | S5 N9 | S5-K7 PolarHBondContact O-N 3.24Å; K7-N9 PolarHBondContact O-N 3.14Å; K7-N9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | C | 29.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 158.2 Ų | 158.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 102.3 | 165 | -75.3 | 0 | 0 | 0 | 0 | 108.6 | R6 C10 | R6-C8 PolarHBondContact O-N 3.21Å; R6-C8 VanDerWaalsContact O-N 3.09Å; C8-C10 VanDerWaalsContact C-N 3.35Å; C8-C10 PolarHBondContact O-N 3.12Å; C8-C10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | N | 30.4 | Very low | 35.7 | Very low | 144 Ų | 144 | 157.9 Ų | 157.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -82.4 | 81.6 | 174.3 | -159 | 25.5 | 0 | 0 | 0 | 108.7 | K7 S11 | K7-N9 PolarHBondContact O-N 3.14Å; K7-N9 VanDerWaalsContact O-N 3.12Å; N9-S11 VanDerWaalsContact C-N 3.3Å; N9-S11 PolarHBondContact O-N 3.09Å | ||
| 10 | C | 33.3 | Very low | 35.8 | Very low | 112 Ų | 112 | 161.8 Ų | 161.8 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 84.5 | 170 | -73.7 | 0 | 0 | 0 | 0 | 108.9 | C8 F12 | C8-C10 VanDerWaalsContact C-N 3.35Å; C8-C10 PolarHBondContact O-N 3.12Å; C8-C10 VanDerWaalsContact O-N 3.14Å; C10-F12 PolarHBondContact O-N 3.15Å | ||
| 11 | S | 32.5 | Very low | 36.5 | Very low | 98 Ų | 98 | 159.5 Ų | 159.5 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 86.1 | 163.6 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | N9 H13 | N9-S11 VanDerWaalsContact C-N 3.3Å; N9-S11 PolarHBondContact O-N 3.09Å; S11-H13 PolarHBondContact O-N 3.05Å; S11-H13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | F | 35 | Very low | 37.8 | Very low | 184 Ų | 184 | 154 Ų | 154 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -73 | 106.8 | 175.6 | -150.2 | -99.6 | 0 | 0 | 0 | 108.6 | C10 V14 | C10-F12 PolarHBondContact O-N 3.15Å; F12-V14 VanDerWaalsContact C-N 3.29Å; F12-V14 HydrophobicContact CD1-CG2 4.2Å; F12-V14 PolarHBondContact O-N 2.99Å | ||
| 13 | H | 31.7 | Very low | 40 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -73.1 | 86.4 | 175 | -148.6 | -82.9 | 0 | 0 | 0 | 107.7 | S11 S15 | S11-H13 PolarHBondContact O-N 3.05Å; S11-H13 VanDerWaalsContact O-N 3.17Å; H13-S15 PolarHBondContact O-N 3.03Å | ||
| 14 | V | 38.9 | Very low | 42.4 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | trans | -59.9 | 105.7 | 170.9 | 174.5 | 0 | 0 | 0 | 0 | 107 | F12 R16 | F12-V14 VanDerWaalsContact C-N 3.29Å; F12-V14 HydrophobicContact CD1-CG2 4.2Å; F12-V14 PolarHBondContact O-N 2.99Å; V14-R16 PolarHBondContact O-N 3.13Å | ||
| 15 | S | 34.8 | Very low | 44.8 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | -54.6 | 125.1 | 175.3 | -79.9 | 0 | 0 | 0 | 0 | 108.7 | H13 K17 | H13-S15 PolarHBondContact O-N 3.03Å; S15-K17 PolarHBondContact O-N 2.95Å | ||
| 16 | R | 36 | Very low | 47.4 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 48.4 | 176.5 | -70.7 | -179.7 | 173.1 | 179.8 | -2.2 | 113 | V14 S18 | V14-R16 PolarHBondContact O-N 3.13Å; R16-S18 PolarHBondContact O-N 2.76Å | ||
| 17 | K | 37.2 | Very low | 49.8 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 90% | 0.904 | 68% | 0.683 | S | S | * | * | trans | -76.2 | 50.1 | 151.5 | -75.8 | -174.1 | 177.2 | 178.7 | 0 | 108.7 | S15 | S15-K17 PolarHBondContact O-N 2.95Š| ||
| 18 | S | 38.7 | Very low | 52.1 | Low | 79 Ų | 79 | 132.4 Ų | 132.4 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | trans | -80.3 | 114.3 | 168.5 | 173 | 0 | 0 | 0 | 0 | 106.5 | R16 R20 | R16-S18 PolarHBondContact O-N 2.76Å; S18-R20 PolarHBondContact O-N 3.22Å | ||
| 19 | Q | 43.3 | Very low | 54.7 | Low | 153 Ų | 153 | 128.5 Ų | 128.5 | 72% | 0.715 | 64% | 0.643 | S | S | * | * | trans | 60.6 | 44.2 | 149 | -56.2 | 173.3 | -10.6 | 0 | 0 | 116.6 | S21 | Q19-S21 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact O-N 3.07Å | ||
| 20 | R | 39.3 | Very low | 57 | Low | 235 Ų | 235 | 128.8 Ų | 128.8 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | trans | -65.2 | 113.2 | 153.6 | -166.6 | 172.1 | -172.2 | 165.6 | 1.7 | 105.7 | S18 E22 | S18-R20 PolarHBondContact O-N 3.22Å; R20-E22 VanDerWaalsContact C-N 3.34Å; R20-E22 PolarHBondContact O-N 3.3Å | ||
| 21 | S | 50.1 | Low | 59.5 | Low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 65% | 0.646 | S | S | * | * | trans | -55.2 | 102.7 | 170.9 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | Q19 H23 | Q19-S21 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact O-N 3.07Å; S21-H23 PolarHBondContact O-N 2.95Å | ||
| 22 | E | 65.2 | Low | 62 | Low | 114 Ų | 114 | 130.4 Ų | 130.4 | 53% | 0.533 | 63% | 0.625 | S | S | . | * | trans | -66.9 | 129.4 | 173.2 | -69.9 | -171.2 | 167.2 | 0 | 0 | 106.6 | R20 I24 | R20-E22 VanDerWaalsContact C-N 3.34Å; R20-E22 PolarHBondContact O-N 3.3Å; E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 WeakPolarHBondContact O-CG1 3.4Å; E22-I24 PolarHBondContact O-N 2.9Å | ||
| 23 | H | 81 | Confident | 64.5 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | trans | -70.5 | 92 | 176.9 | -178.3 | -76.9 | 0 | 0 | 0 | 108.9 | S21 R25 | S21-H23 PolarHBondContact O-N 2.95Å; H23-R25 PolarHBondContact O-N 2.61Å | ||
| 24 | I | 86.9 | Confident | 66.5 | Low | 34 Ų | 34 | 114.6 Ų | 114.6 | 17% | 0.174 | 56% | 0.561 | C | S | . | * | trans | -72.7 | 113.4 | 178.5 | -60.2 | -172.9 | 0 | 0 | 0 | 108.2 | E22 I67 N73 V91 R94 | E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 WeakPolarHBondContact O-CG1 3.4Å; E22-I24 PolarHBondContact O-N 2.9Å; I24-I67 HydrophobicContact CG2-CG2 4.36Å; I24-N73 WeakPolarHBondContact CG2-ND2 3.39Å; I24-V91 HydrophobicContact CD1-CB 3.81Å; I24-V91 HydrophobicContact CD1-CG1 3.4Å; I24-V91 VanDerWaalsContact CD1-CG1 3.4Å; I24-V91 WeakPolarHBondContact CD1-O 3.42Å; I24-V91 HydrophobicContact CG2-CB 4.21Å; I24-V91 HydrophobicContact CG2-CG1 4.21Å; I24-R94 HydrophobicContact CD1-CG 4.28Å; I24-R94 HydrophobicContact CG1-CG 4.19Å | ||
| 25 | R | 88.5 | Confident | 67.6 | Low | 161 Ų | 161 | 113.6 Ų | 113.6 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | trans | -77.7 | 152.2 | 177.5 | -59.5 | 177.1 | -175.4 | 166.7 | 0.5 | 109.8 | H23 T72 N73 | H23-R25 PolarHBondContact O-N 2.61Å; R25-T72 HydrophobicContact CB-CG2 4.39Å; R25-N73 PolarHBondContact N-ND2 2.92Å; R25-N73 PolarHBondContact N-OD1 3.14Å; R25-N73 PolarHBondContact O-ND2 3.27Å | ||
| 26 | T | 89.3 | Confident | 69.1 | Low | 77 Ų | 77 | 115.5 Ų | 115.5 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | trans | -127 | 141.9 | 168.2 | 61 | 0 | 0 | 0 | 0 | 108.6 | V66 I67 | T26-V66 WeakPolarHBondContact CA-O 3.1Å; T26-I67 HydrophobicContact CG2-CD1 3.58Å | ||
| 27 | S | 87.9 | Confident | 71 | Confident | 37 Ų | 37 | 108.3 Ų | 108.3 | 26% | 0.259 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | -124.1 | 148.2 | 172.1 | 61.4 | 0 | 0 | 0 | 0 | 111 | V66 T72 | S27-V66 PolarHBondContact N-O 3.3Å; S27-V66 VanDerWaalsContact N-O 3.11Å; S27-V66 PolarHBondContact O-N 3.1Å; S27-V66 WeakPolarHBondContact OG-CB 3.13Å; S27-T72 PolarHBondContact OG-OG1 2.93Å |
| 28 | E | 84.2 | Confident | 73.3 | Confident | 135 Ų | 135 | 107.3 Ų | 107.3 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | trans | -90.9 | 116.5 | 173 | -63.6 | -175.5 | 169.5 | 0 | 0 | 107.6 | R65 | E28-R65 IonicContact OE1-CZ 3.07Å; E28-R65 IonicContact OE1-NE 2.73Å; E28-R65 IonicContact OE1-NH2 3.23Å; E28-R65 PolarHBondContact OE1-NH2 3.37Å | ||
| 29 | D | 84.4 | Confident | 75.8 | Confident | 35 Ų | 35 | 105.2 Ų | 105.2 | 19% | 0.187 | 53% | 0.527 | C | S | . | . | trans | -140 | 93.1 | 178.9 | -172.3 | -34.4 | 0 | 0 | 0 | 107.1 | E31 K32 C33 V66 | D29-E31 PolarHBondContact O-N 3.46Å; D29-E31 PolarHBondContact OD1-N 3.26Å; D29-K32 HydrophobicContact CB-CB 4.23Å; D29-K32 HydrophobicContact CB-CD 4.37Å; D29-K32 HydrophobicContact CB-CG 4.46Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 PolarHBondContact OD1-N 3.47Å; D29-K32 WeakPolarHBondContact OD2-CD 3.34Å; D29-K32 WeakPolarHBondContact OD2-CE 3.05Å; D29-K32 WeakPolarHBondContact OD2-CG 3.29Å; D29-K32 IonicContact OD2-NZ 3.88Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; D29-C33 PolarHBondContact O-N 3.38Å; D29-V66 HydrophobicContact CB-CG2 3.62Å | ||
| 30 | H | 79.2 | Confident | 78 | Confident | 150 Ų | 150 | 104.5 Ų | 104.5 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -25.4 | -175.5 | -69 | -69.6 | 0 | 0 | 0 | 112.5 | G34 | H30-G34 WeakPolarHBondContact O-CA 3.43Å; H30-G34 PolarHBondContact O-N 3.16Å |
| 31 | E | 84.6 | Confident | 80.2 | Confident | 189 Ų | 189 | 100.5 Ų | 100.5 | 88% | 0.883 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.6 | -41.7 | 176.8 | -63.3 | -176.3 | 174.6 | 0 | 0 | 110.9 | D29 | D29-E31 PolarHBondContact O-N 3.46Å; D29-E31 PolarHBondContact OD1-N 3.26Å |
| 32 | K | 86.1 | Confident | 82.1 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 24% | 0.243 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -76.2 | -47.9 | 178.4 | -69.1 | -179.2 | -172 | 132.7 | 0 | 113.1 | D29 Y59 V66 | D29-K32 HydrophobicContact CB-CB 4.23Å; D29-K32 HydrophobicContact CB-CD 4.37Å; D29-K32 HydrophobicContact CB-CG 4.46Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 PolarHBondContact OD1-N 3.47Å; D29-K32 WeakPolarHBondContact OD2-CD 3.34Å; D29-K32 WeakPolarHBondContact OD2-CE 3.05Å; D29-K32 WeakPolarHBondContact OD2-CG 3.29Å; D29-K32 IonicContact OD2-NZ 3.88Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; K32-Y59 HydrophobicContact CB-CD1 4.29Å; K32-Y59 HydrophobicContact CB-CD2 4.02Å; K32-Y59 HydrophobicContact CB-CE1 4.12Å; K32-Y59 HydrophobicContact CB-CE2 3.88Å; K32-Y59 HydrophobicContact CB-CG 4.23Å; K32-Y59 HydrophobicContact CD-CD1 3.79Å; K32-Y59 HydrophobicContact CD-CE1 4.25Å; K32-Y59 HydrophobicContact CD-CG 3.95Å; K32-Y59 HydrophobicContact CG-CD1 3.95Å; K32-Y59 HydrophobicContact CG-CE1 3.87Å; K32-Y59 HydrophobicContact CG-CG 4.28Å; K32-Y59 VanDerWaalsContact O-CE2 3.3Å; K32-Y59 WeakPolarHBondContact O-CE2 3.48Å; K32-Y59 PolarHBondContact O-OH 2.95Å; K32-V66 HydrophobicContact CB-CG2 4.4Å; K32-V66 HydrophobicContact CD-CG2 4.35Å |
| 33 | C | 88 | Confident | 83.4 | Confident | 1 Ų | 1 | 98.9 Ų | 98.9 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -91.9 | -16.7 | -171.9 | -55.5 | 0 | 0 | 0 | 0 | 113 | D29 C61 G64 V66 K207 | D29-C33 PolarHBondContact O-N 3.38Å; C33-C61 WeakPolarHBondContact CA-SG 3.5Å; C33-C61 HydrophobicContact CB-CB 3.75Å; C33-C61 WeakPolarHBondContact CB-SG 3.13Å; C33-C61 WeakPolarHBondContact SG-CB 3.23Å; C33-C61 CovalentContact SG-SG 2.04Å; C33-C61 PolarHBondContact SG-SG 3.19Å; C33-G64 WeakPolarHBondContact CB-O 3.44Å; C33-V66 WeakPolarHBondContact SG-CG2 3.49Å; C33-V66 PolarHBondContact SG-N 2.89Å; C33-K207 WeakPolarHBondContact O-CE 3.49Å; C33-K207 PolarHBondContact O-NZ 3.27Å |
| 34 | G | 72.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 91.5 Ų | 91.5 | 27% | 0.268 | 46% | 0.463 | S | S | . | . | trans | 59.2 | -178.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H30 | H30-G34 WeakPolarHBondContact O-CA 3.43Å; H30-G34 PolarHBondContact O-N 3.16Å | ||
| 35 | A | 62.9 | Low | 84.4 | Confident | 87 Ų | 87 | 90.2 Ų | 90.2 | 72% | 0.719 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -55.1 | 148.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M37 K207 | A35-M37 PolarHBondContact O-N 3.38Å; A35-K207 PolarHBondContact O-NZ 2.75Å |
| 36 | L | 66.5 | Low | 84.8 | Confident | 135 Ų | 135 | 82.6 Ų | 82.6 | 71% | 0.707 | 43% | 0.428 | S | S | * | . | trans | -65.2 | 91.7 | 179.7 | -62.7 | 169.3 | 0 | 0 | 0 | 109.3 | E38 | L36-E38 PolarHBondContact O-N 2.81Š| ||
| 37 | M | 75.8 | Confident | 85.1 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 121.7 | 161.6 | 168.4 | -179.3 | -84.2 | 0 | 0 | 106.9 | A35 L45 K207 | A35-M37 PolarHBondContact O-N 3.38Å; M37-L45 HydrophobicContact CB-CD1 3.79Å; M37-L45 HydrophobicContact CB-CD2 4.15Å; M37-L45 HydrophobicContact CG-CD1 3.94Å; M37-L45 WeakPolarHBondContact O-CD2 3.42Å; M37-L45 HydrophobicContact SD-CD1 3.72Å; M37-K207 HydrophobicContact CB-CD 4.48Å; M37-K207 HydrophobicContact SD-CG 4.24Å |
| 38 | E | 84.5 | Confident | 85.5 | Confident | 186 Ų | 186 | 77.5 Ų | 77.5 | 87% | 0.869 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 128.1 | 174.4 | -67.1 | -174.6 | 174 | 0 | 0 | 109.4 | L36 | L36-E38 PolarHBondContact O-N 2.81Š|
| 39 | C | 90.4 | Very high | 86.1 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 142.6 | 173.1 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | K43 C209 | C39-K43 HydrophobicContact CB-CB 3.94Å; C39-C209 WeakPolarHBondContact CA-SG 3.29Å; C39-C209 HydrophobicContact CB-CB 3.77Å; C39-C209 WeakPolarHBondContact CB-SG 3Å; C39-C209 VanDerWaalsContact SG-CA 3.51Å; C39-C209 WeakPolarHBondContact SG-CB 3.4Å; C39-C209 CovalentContact SG-SG 2.03Å; C39-C209 PolarHBondContact SG-SG 3.14Å |
| 40 | E | 89.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 161.7 | 168 | -64 | 165.8 | -166.3 | 0 | 0 | 111.5 | K42 K43 | E40-K42 PolarHBondContact O-N 3.11Å; E40-K43 HydrophobicContact CB-CD 4.29Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.7Å; E40-K43 IonicContact OE1-NZ 3.83Å; E40-K43 IonicContact OE2-NZ 2.69Å; E40-K43 PolarHBondContact OE2-NZ 3.43Å |
| 41 | D | 86.5 | Confident | 87.3 | Confident | 151 Ų | 151 | 64.3 Ų | 64.3 | 81% | 0.807 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 140 | 173.4 | -76.9 | -22.1 | 0 | 0 | 0 | 112.5 | K43 | D41-K43 PolarHBondContact O-N 3.48Š|
| 42 | K | 89 | Confident | 87.4 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 52% | 0.522 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 20.8 | 179.4 | -47.8 | 166.3 | -173.9 | 164 | 0 | 114.3 | E40 P211 Y212 | E40-K42 PolarHBondContact O-N 3.11Å; K42-P211 WeakPolarHBondContact O-CA 3.41Å; K42-Y212 WeakPolarHBondContact O-CD1 3.44Å; K42-Y212 VanDerWaalsContact O-CE1 3.31Å; K42-Y212 WeakPolarHBondContact O-CE1 3.32Å; K42-Y212 PolarHBondContact O-N 2.76Å |
| 43 | K | 94.1 | Very high | 87.2 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 32% | 0.317 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.9 | 165.7 | -63.1 | 173.8 | -177.3 | 164 | 0 | 109.7 | C39 E40 D41 C209 V210 P211 | C39-K43 HydrophobicContact CB-CB 3.94Å; E40-K43 HydrophobicContact CB-CD 4.29Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.7Å; E40-K43 IonicContact OE1-NZ 3.83Å; E40-K43 IonicContact OE2-NZ 2.69Å; E40-K43 PolarHBondContact OE2-NZ 3.43Å; D41-K43 PolarHBondContact O-N 3.48Å; K43-C209 HydrophobicContact CB-CB 3.99Å; K43-C209 HydrophobicContact CD-CB 3.94Å; K43-V210 CarbonylContact C-O 3.58Å; K43-V210 VanDerWaalsContact CA-O 3.25Å; K43-V210 WeakPolarHBondContact CA-O 3.37Å; K43-P211 HydrophobicContact CG-CB 4.13Å |
| 44 | I | 94.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135 | 176.1 | -172.1 | 148.1 | 0 | 0 | 0 | 109.8 | I46 I62 L84 P86 L120 C209 V210 | I44-I46 HydrophobicContact CG2-CD1 4.01Å; I44-I46 HydrophobicContact CG2-CG1 4.26Å; I44-I46 PolarHBondContact O-N 3.07Å; I44-I62 HydrophobicContact CD1-CG2 3.74Å; I44-I62 HydrophobicContact CG1-CG2 3.92Å; I44-L84 HydrophobicContact CD1-CD1 4.33Å; I44-L84 HydrophobicContact CD1-CD2 3.55Å; I44-L84 HydrophobicContact CD1-CG 4.37Å; I44-L84 HydrophobicContact CG1-CD2 4.32Å; I44-L84 HydrophobicContact CG2-CD2 4.34Å; I44-P86 HydrophobicContact CD1-CB 4.5Å; I44-P86 HydrophobicContact CG2-CB 4.33Å; I44-L120 HydrophobicContact CG2-CD1 3.82Å; I44-C209 WeakPolarHBondContact O-CA 3.42Å; I44-V210 HydrophobicContact CG2-CB 4.2Å; I44-V210 PolarHBondContact N-O 2.72Å; I44-V210 PolarHBondContact O-N 2.86Å |
| 45 | L | 94.5 | Very high | 86.9 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.8 | 178.5 | 179.5 | 65.7 | 0 | 0 | 0 | 109 | M37 I62 N63 K207 | M37-L45 HydrophobicContact CB-CD1 3.79Å; M37-L45 HydrophobicContact CB-CD2 4.15Å; M37-L45 HydrophobicContact CG-CD1 3.94Å; M37-L45 WeakPolarHBondContact O-CD2 3.42Å; M37-L45 HydrophobicContact SD-CD1 3.72Å; L45-I62 WeakPolarHBondContact O-CA 3.48Å; L45-N63 PolarHBondContact N-OD1 3.13Å; L45-N63 PolarHBondContact O-N 3.46Å; L45-K207 HydrophobicContact CD1-CG 4.04Å |
| 46 | I | 95.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.4 | 173.8 | -63.7 | 169.3 | 0 | 0 | 0 | 108 | I44 L48 C61 I122 I161 K207 M208 V210 | I44-I46 HydrophobicContact CG2-CD1 4.01Å; I44-I46 HydrophobicContact CG2-CG1 4.26Å; I44-I46 PolarHBondContact O-N 3.07Å; I46-L48 HydrophobicContact CG2-CD2 4.34Å; I46-C61 WeakPolarHBondContact CA-O 3.32Å; I46-I122 HydrophobicContact CD1-CD1 3.57Å; I46-I122 HydrophobicContact CD1-CG1 4.01Å; I46-I122 HydrophobicContact CG1-CD1 4.13Å; I46-I122 HydrophobicContact CG2-CD1 4.32Å; I46-I161 HydrophobicContact CB-CD1 4.23Å; I46-I161 HydrophobicContact CD1-CD1 3.93Å; I46-I161 HydrophobicContact CD1-CG2 4.29Å; I46-I161 HydrophobicContact CG2-CD1 3.79Å; I46-K207 WeakPolarHBondContact O-CA 3.4Å; I46-M208 PolarHBondContact N-O 3.44Å; I46-M208 PolarHBondContact O-N 2.78Å; I46-V210 HydrophobicContact CB-CG2 4.47Å; I46-V210 HydrophobicContact CD1-CB 4.09Å; I46-V210 HydrophobicContact CD1-CG2 3.8Å; I46-V210 HydrophobicContact CG1-CG2 4.46Å |
| 47 | S | 95.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.3 | 164.9 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | C61 A206 | S47-C61 PolarHBondContact N-O 3.37Å; S47-C61 VanDerWaalsContact N-O 3.08Å; S47-C61 PolarHBondContact O-N 2.88Å; S47-C61 VanDerWaalsContact OG-CB 3.29Å; S47-C61 WeakPolarHBondContact OG-CB 3.08Å; S47-A206 CarbonylContact C-O 3.6Å; S47-A206 WeakPolarHBondContact CA-O 3.49Å |
| 48 | L | 97.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.7 | -173.9 | 54.7 | 80.9 | 0 | 0 | 0 | 110.9 | I46 Y59 I60 I122 L124 F159 I161 S205 A206 | I46-L48 HydrophobicContact CG2-CD2 4.34Å; L48-Y59 VanDerWaalsContact CA-O 3.31Å; L48-Y59 WeakPolarHBondContact CA-O 3.2Å; L48-I60 HydrophobicContact CB-CG1 4.43Å; L48-I122 HydrophobicContact CD2-CG2 4.33Å; L48-L124 HydrophobicContact CB-CD2 4.35Å; L48-L124 HydrophobicContact CD1-CD1 4.07Å; L48-F159 HydrophobicContact CD1-CB 3.67Å; L48-F159 HydrophobicContact CD1-CD1 3.71Å; L48-F159 HydrophobicContact CD1-CD2 4.04Å; L48-F159 HydrophobicContact CD1-CE1 4.33Å; L48-F159 HydrophobicContact CD1-CG 3.53Å; L48-F159 HydrophobicContact CD2-CB 3.93Å; L48-F159 HydrophobicContact CD2-CD2 3.67Å; L48-F159 HydrophobicContact CD2-CE2 4.42Å; L48-F159 HydrophobicContact CD2-CG 3.89Å; L48-F159 HydrophobicContact CG-CB 4.48Å; L48-F159 HydrophobicContact CG-CD2 4.47Å; L48-F159 HydrophobicContact CG-CG 4.38Å; L48-I161 HydrophobicContact CD2-CD1 4.28Å; L48-S205 WeakPolarHBondContact O-CA 3.38Å; L48-S205 PolarHBondContact O-OG 3.44Å; L48-A206 HydrophobicContact CD1-CB 4.07Å; L48-A206 HydrophobicContact CG-CB 4.41Å; L48-A206 PolarHBondContact N-O 3.34Å; L48-A206 PolarHBondContact O-N 2.87Å |
| 49 | Y | 96.3 | Very high | 91 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 120.7 | 177.5 | 176.2 | -106.3 | 0 | 0 | 0 | 109.4 | G51 K52 P58 Y59 L124 P203 | Y49-G51 VanDerWaalsContact C-N 3.25Å; Y49-G51 PolarHBondContact O-N 3.34Å; Y49-K52 WeakPolarHBondContact OH-CD 3.48Å; Y49-K52 WeakPolarHBondContact OH-CE 3.16Å; Y49-K52 VanDerWaalsContact OH-CG 3.29Å; Y49-K52 WeakPolarHBondContact OH-CG 3.19Å; Y49-P58 CarbonylContact O-C 3.49Å; Y49-P58 WeakPolarHBondContact O-CA 3.31Å; Y49-Y59 VanDerWaalsContact CB-CE1 3.43Å; Y49-Y59 AromaticContact CD1-CD1 3.97Å; Y49-Y59 HydrophobicContact CD1-CD1 3.97Å; Y49-Y59 AromaticContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CD1-CE1 3.48Å; Y49-Y59 VanDerWaalsContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CE1-CE1 4.49Å; Y49-Y59 HydrophobicContact CG-CD1 4.42Å; Y49-Y59 AromaticContact CG-CE1 3.75Å; Y49-Y59 HydrophobicContact CG-CE1 3.75Å; Y49-Y59 AromaticContact CG-CZ 3.97Å; Y49-Y59 PolarHBondContact N-O 3.42Å; Y49-Y59 PolarHBondContact O-N 3.24Å; Y49-L124 WeakPolarHBondContact O-CD2 3.31Å; Y49-P203 HydrophobicContact CD2-CB 4.21Å; Y49-P203 HydrophobicContact CE2-CB 3.53Å; Y49-P203 HydrophobicContact CE2-CG 3.73Å |
| 50 | S | 95.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | trans | -73.8 | -8.5 | -173.2 | 48.1 | 0 | 0 | 0 | 0 | 115.1 | T125 H126 P203 V204 | S50-T125 WeakPolarHBondContact CB-O 3.11Å; S50-H126 PolarHBondContact O-ND1 3.04Å; S50-P203 VanDerWaalsContact OG-CA 3.25Å; S50-P203 WeakPolarHBondContact OG-CA 3.35Å; S50-V204 PolarHBondContact N-O 3.25Å; S50-V204 WeakPolarHBondContact OG-CG2 3.46Å; S50-V204 PolarHBondContact OG-N 3.41Å; S50-V204 PolarHBondContact OG-O 3.08Å | ||
| 51 | G | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | trans | 82.8 | 154.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y49 T56 P203 | Y49-G51 VanDerWaalsContact C-N 3.25Å; Y49-G51 PolarHBondContact O-N 3.34Å; G51-T56 WeakPolarHBondContact CA-O 3.41Å; G51-P203 WeakPolarHBondContact O-CB 3.38Å | ||
| 52 | K | 87.8 | Confident | 92.1 | Very high | 109 Ų | 109 | 34.1 Ų | 34.1 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -96 | 118.9 | 175.4 | -78.2 | 165.5 | -174.4 | -172.8 | 0 | 108.4 | Y49 S54 V55 T56 P203 | Y49-K52 WeakPolarHBondContact OH-CD 3.48Å; Y49-K52 WeakPolarHBondContact OH-CE 3.16Å; Y49-K52 VanDerWaalsContact OH-CG 3.29Å; Y49-K52 WeakPolarHBondContact OH-CG 3.19Å; K52-S54 PolarHBondContact O-N 3.38Å; K52-V55 PolarHBondContact O-N 3.42Å; K52-T56 HydrophobicContact CB-CG2 4.43Å; K52-T56 PolarHBondContact N-O 3.41Å; K52-T56 PolarHBondContact N-OG1 2.87Å; K52-T56 PolarHBondContact O-N 3.15Å; K52-P203 HydrophobicContact CG-CG 3.89Å |
| 53 | Q | 81.6 | Confident | 92.2 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -132.3 | 177.3 | -48.9 | 173.7 | 30.4 | 0 | 0 | 110.3 | H126 W200 | Q53-H126 PolarHBondContact O-CE1 3.49Å; Q53-W200 HydrophobicContact CB-CD2 3.65Å; Q53-W200 HydrophobicContact CB-CE3 3.8Å; Q53-W200 HydrophobicContact CB-CG 3.99Å; Q53-W200 HydrophobicContact CB-CZ2 4.43Å; Q53-W200 HydrophobicContact CB-CZ3 4.25Å; Q53-W200 HydrophobicContact CG-CB 4.2Å; Q53-W200 HydrophobicContact CG-CD2 3.77Å; Q53-W200 HydrophobicContact CG-CE3 3.53Å; Q53-W200 HydrophobicContact CG-CG 4.07Å; Q53-W200 HydrophobicContact CG-CZ3 4.16Å |
| 54 | S | 75.5 | Confident | 92.1 | Very high | 70 Ų | 70 | 29.7 Ų | 29.7 | 49% | 0.49 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 6.8 | 169.2 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | K52 | K52-S54 PolarHBondContact O-N 3.38Š|
| 55 | V | 78.7 | Confident | 92.1 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 67% | 0.673 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -54.2 | -170.2 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | K52 | K52-V55 PolarHBondContact O-N 3.42Š|
| 56 | T | 90.3 | Very high | 92.1 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -98.5 | 125.5 | 179.5 | 73.3 | 0 | 0 | 0 | 0 | 110.2 | G51 K52 H126 | G51-T56 WeakPolarHBondContact CA-O 3.41Å; K52-T56 HydrophobicContact CB-CG2 4.43Å; K52-T56 PolarHBondContact N-O 3.41Å; K52-T56 PolarHBondContact N-OG1 2.87Å; K52-T56 PolarHBondContact O-N 3.15Å; T56-H126 PolarHBondContact O-CE1 3.06Å |
| 57 | S | 91.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 147.5 | -176.5 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 58 | P | 96.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 154.4 | 171.4 | 33.4 | -35.2 | 0 | 0 | 0 | 109.7 | Y49 S69 A75 L124 H126 | Y49-P58 CarbonylContact O-C 3.49Å; Y49-P58 WeakPolarHBondContact O-CA 3.31Å; P58-S69 WeakPolarHBondContact O-CA 3.25Å; P58-A75 HydrophobicContact CG-CB 3.69Å; P58-L124 HydrophobicContact CB-CD2 3.88Å; P58-L124 HydrophobicContact CB-CG 4.49Å; P58-H126 HydrophobicContact CB-CB 4.02Å; P58-H126 HydrophobicContact CG-CB 3.68Å |
| 59 | Y | 97.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.4 | 167.6 | 62.6 | -97.6 | 0 | 0 | 0 | 113.3 | K32 L48 Y49 M68 L124 | K32-Y59 HydrophobicContact CB-CD1 4.29Å; K32-Y59 HydrophobicContact CB-CD2 4.02Å; K32-Y59 HydrophobicContact CB-CE1 4.12Å; K32-Y59 HydrophobicContact CB-CE2 3.88Å; K32-Y59 HydrophobicContact CB-CG 4.23Å; K32-Y59 HydrophobicContact CD-CD1 3.79Å; K32-Y59 HydrophobicContact CD-CE1 4.25Å; K32-Y59 HydrophobicContact CD-CG 3.95Å; K32-Y59 HydrophobicContact CG-CD1 3.95Å; K32-Y59 HydrophobicContact CG-CE1 3.87Å; K32-Y59 HydrophobicContact CG-CG 4.28Å; K32-Y59 VanDerWaalsContact O-CE2 3.3Å; K32-Y59 WeakPolarHBondContact O-CE2 3.48Å; K32-Y59 PolarHBondContact O-OH 2.95Å; L48-Y59 VanDerWaalsContact CA-O 3.31Å; L48-Y59 WeakPolarHBondContact CA-O 3.2Å; Y49-Y59 VanDerWaalsContact CB-CE1 3.43Å; Y49-Y59 AromaticContact CD1-CD1 3.97Å; Y49-Y59 HydrophobicContact CD1-CD1 3.97Å; Y49-Y59 AromaticContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CD1-CE1 3.48Å; Y49-Y59 VanDerWaalsContact CD1-CE1 3.48Å; Y49-Y59 HydrophobicContact CE1-CE1 4.49Å; Y49-Y59 HydrophobicContact CG-CD1 4.42Å; Y49-Y59 AromaticContact CG-CE1 3.75Å; Y49-Y59 HydrophobicContact CG-CE1 3.75Å; Y49-Y59 AromaticContact CG-CZ 3.97Å; Y49-Y59 PolarHBondContact N-O 3.42Å; Y49-Y59 PolarHBondContact O-N 3.24Å; Y59-M68 CarbonylContact C-O 3.52Å; Y59-M68 WeakPolarHBondContact CA-O 3.48Å; Y59-M68 WeakPolarHBondContact CB-O 3.42Å; Y59-L124 WeakPolarHBondContact O-CD2 3.25Å |
| 60 | I | 98.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.9 | 172.6 | -58.3 | 170.3 | 0 | 0 | 0 | 107.5 | L48 I67 M68 I82 I122 L124 | L48-I60 HydrophobicContact CB-CG1 4.43Å; I60-I67 PolarHBondContact O-N 2.95Å; I60-M68 HydrophobicContact CB-CB 4.14Å; I60-M68 HydrophobicContact CD1-CB 4.37Å; I60-M68 HydrophobicContact CD1-SD 4.4Å; I60-M68 HydrophobicContact CG1-CB 4.48Å; I60-M68 PolarHBondContact N-O 2.69Å; I60-M68 PolarHBondContact O-N 3.31Å; I60-M68 VanDerWaalsContact O-N 3.13Å; I60-I82 HydrophobicContact CD1-CG1 4.01Å; I60-I122 HydrophobicContact CD1-CG2 4.11Å; I60-I122 HydrophobicContact CG2-CG2 4.07Å; I60-L124 HydrophobicContact CD1-CB 3.98Å; I60-L124 HydrophobicContact CD1-CD2 4.34Å; I60-L124 HydrophobicContact CG1-CB 4.2Å; I60-L124 HydrophobicContact CG1-CD2 3.72Å |
| 61 | C | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.2 | 172.3 | -51 | 0 | 0 | 0 | 0 | 111 | C33 I46 S47 R65 | C33-C61 WeakPolarHBondContact CA-SG 3.5Å; C33-C61 HydrophobicContact CB-CB 3.75Å; C33-C61 WeakPolarHBondContact CB-SG 3.13Å; C33-C61 WeakPolarHBondContact SG-CB 3.23Å; C33-C61 CovalentContact SG-SG 2.04Å; C33-C61 PolarHBondContact SG-SG 3.19Å; I46-C61 WeakPolarHBondContact CA-O 3.32Å; S47-C61 PolarHBondContact N-O 3.37Å; S47-C61 VanDerWaalsContact N-O 3.08Å; S47-C61 PolarHBondContact O-N 2.88Å; S47-C61 VanDerWaalsContact OG-CB 3.29Å; S47-C61 WeakPolarHBondContact OG-CB 3.08Å; C61-R65 CarbonylContact C-O 3.56Å; C61-R65 WeakPolarHBondContact CA-O 3.42Å; C61-R65 WeakPolarHBondContact CB-O 3.33Å |
| 62 | I | 95.1 | Very high | 92 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.4 | 171 | -59 | -178.6 | 0 | 0 | 0 | 107.2 | I44 L45 G64 R65 I67 I82 L84 V91 I122 | I44-I62 HydrophobicContact CD1-CG2 3.74Å; I44-I62 HydrophobicContact CG1-CG2 3.92Å; L45-I62 WeakPolarHBondContact O-CA 3.48Å; I62-G64 VanDerWaalsContact C-N 3.25Å; I62-G64 PolarHBondContact O-N 3.18Å; I62-R65 PolarHBondContact N-O 3.44Å; I62-R65 PolarHBondContact O-N 2.58Å; I62-I67 HydrophobicContact CB-CD1 4.36Å; I62-I67 HydrophobicContact CB-CG1 3.68Å; I62-I67 HydrophobicContact CD1-CG1 3.91Å; I62-I67 HydrophobicContact CG1-CB 4.49Å; I62-I67 HydrophobicContact CG1-CG1 3.67Å; I62-I82 HydrophobicContact CD1-CG2 4.07Å; I62-L84 HydrophobicContact CD1-CD1 4.11Å; I62-L84 HydrophobicContact CD1-CD2 3.87Å; I62-L84 HydrophobicContact CD1-CG 4.39Å; I62-L84 HydrophobicContact CG2-CD2 4.35Å; I62-V91 HydrophobicContact CD1-CG2 4.12Å; I62-I122 HydrophobicContact CD1-CD1 3.93Å; I62-I122 HydrophobicContact CG1-CD1 4.35Å |
| 63 | N | 92 | Very high | 92.4 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 45.3 | -178.5 | -64.7 | -22.3 | 0 | 0 | 0 | 113.2 | L45 R65 | L45-N63 PolarHBondContact N-OD1 3.13Å; L45-N63 PolarHBondContact O-N 3.46Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 2.93Å |
| 64 | G | 91.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 1.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C33 I62 | C33-G64 WeakPolarHBondContact CB-O 3.44Å; I62-G64 VanDerWaalsContact C-N 3.25Å; I62-G64 PolarHBondContact O-N 3.18Å |
| 65 | R | 93.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 40.3 Ų | 40.3 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.1 | 179.2 | -67.4 | -179.8 | 162 | 174.2 | -5.1 | 111.3 | E28 C61 I62 N63 I67 | E28-R65 IonicContact OE1-CZ 3.07Å; E28-R65 IonicContact OE1-NE 2.73Å; E28-R65 IonicContact OE1-NH2 3.23Å; E28-R65 PolarHBondContact OE1-NH2 3.37Å; C61-R65 CarbonylContact C-O 3.56Å; C61-R65 WeakPolarHBondContact CA-O 3.42Å; C61-R65 WeakPolarHBondContact CB-O 3.33Å; I62-R65 PolarHBondContact N-O 3.44Å; I62-R65 PolarHBondContact O-N 2.58Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 2.93Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 PolarHBondContact O-N 2.97Å |
| 66 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 119.1 | 173.6 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | T26 S27 D29 K32 C33 T72 | T26-V66 WeakPolarHBondContact CA-O 3.1Å; S27-V66 PolarHBondContact N-O 3.3Å; S27-V66 VanDerWaalsContact N-O 3.11Å; S27-V66 PolarHBondContact O-N 3.1Å; S27-V66 WeakPolarHBondContact OG-CB 3.13Å; D29-V66 HydrophobicContact CB-CG2 3.62Å; K32-V66 HydrophobicContact CB-CG2 4.4Å; K32-V66 HydrophobicContact CD-CG2 4.35Å; C33-V66 WeakPolarHBondContact SG-CG2 3.49Å; C33-V66 PolarHBondContact SG-N 2.89Å; V66-T72 HydrophobicContact CG1-CG2 4.25Å |
| 67 | I | 96.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -31.1 | 175 | -57.1 | -52 | 0 | 0 | 0 | 110.5 | I24 T26 I60 I62 R65 N73 I82 V91 | I24-I67 HydrophobicContact CG2-CG2 4.36Å; T26-I67 HydrophobicContact CG2-CD1 3.58Å; I60-I67 PolarHBondContact O-N 2.95Å; I62-I67 HydrophobicContact CB-CD1 4.36Å; I62-I67 HydrophobicContact CB-CG1 3.68Å; I62-I67 HydrophobicContact CD1-CG1 3.91Å; I62-I67 HydrophobicContact CG1-CB 4.49Å; I62-I67 HydrophobicContact CG1-CG1 3.67Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 PolarHBondContact O-N 2.97Å; I67-N73 PolarHBondContact O-ND2 3.2Å; I67-I82 HydrophobicContact CG2-CD1 3.78Å; I67-I82 HydrophobicContact CG2-CG1 4.27Å; I67-V91 HydrophobicContact CD1-CG2 4.33Å; I67-V91 HydrophobicContact CG1-CG2 4.4Å; I67-V91 HydrophobicContact CG2-CB 4.45Å; I67-V91 HydrophobicContact CG2-CG1 4.11Å; I67-V91 HydrophobicContact CG2-CG2 3.75Å |
| 68 | M | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 126.6 | 179.9 | -158.4 | 163.6 | -151.2 | 0 | 0 | 109.5 | Y59 I60 T72 N73 A75 N80 I82 R94 L95 | Y59-M68 CarbonylContact C-O 3.52Å; Y59-M68 WeakPolarHBondContact CA-O 3.48Å; Y59-M68 WeakPolarHBondContact CB-O 3.42Å; I60-M68 HydrophobicContact CB-CB 4.14Å; I60-M68 HydrophobicContact CD1-CB 4.37Å; I60-M68 HydrophobicContact CD1-SD 4.4Å; I60-M68 HydrophobicContact CG1-CB 4.48Å; I60-M68 PolarHBondContact N-O 2.69Å; I60-M68 PolarHBondContact O-N 3.31Å; I60-M68 VanDerWaalsContact O-N 3.13Å; M68-T72 CarbonylContact C-O 3.54Å; M68-T72 VanDerWaalsContact CA-O 3.3Å; M68-T72 WeakPolarHBondContact CA-O 3.45Å; M68-N73 WeakPolarHBondContact CE-O 3.48Å; M68-A75 HydrophobicContact CG-CB 3.88Å; M68-N80 HydrophobicContact SD-CB 3.99Å; M68-I82 HydrophobicContact CB-CD1 4.18Å; M68-I82 HydrophobicContact CB-CG1 4.34Å; M68-I82 HydrophobicContact CG-CD1 4.48Å; M68-I82 HydrophobicContact SD-CD1 3.74Å; M68-I82 HydrophobicContact SD-CG1 3.98Å; M68-R94 HydrophobicContact CE-CB 4.11Å; M68-R94 VanDerWaalsContact CE-NH2 3.34Å; M68-L95 WeakPolarHBondContact CE-O 3.39Å |
| 69 | S | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -152.3 | 180 | 166.8 | 79.4 | 0 | 0 | 0 | 0 | 108.1 | P58 E71 T72 G74 A75 | P58-S69 WeakPolarHBondContact O-CA 3.25Å; S69-E71 WeakPolarHBondContact CB-OE2 3.28Å; S69-E71 PolarHBondContact O-N 3.23Å; S69-E71 PolarHBondContact OG-N 3.33Å; S69-E71 PolarHBondContact OG-OE2 3.25Å; S69-T72 CarbonylContact C-O 3.54Å; S69-T72 PolarHBondContact N-O 3.12Å; S69-T72 CarbonylContact O-C 3.37Å; S69-T72 PolarHBondContact O-N 2.65Å; S69-T72 PolarHBondContact OG-N 3.37Å; S69-G74 PolarHBondContact O-N 3.14Å; S69-G74 VanDerWaalsContact O-N 3.16Å; S69-A75 WeakPolarHBondContact O-CB 3.29Å; S69-A75 PolarHBondContact O-N 3.13Å |
| 70 | R | 94.4 | Very high | 95.1 | Very high | 175 Ų | 175 | 33.6 Ų | 33.6 | 66% | 0.66 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -58.6 | -41.3 | 174.9 | -176.7 | 176 | -173.7 | 162.7 | 2 | 111.8 | A75 | R70-A75 WeakPolarHBondContact CA-O 3.32Š|
| 71 | E | 92.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 33.5 Ų | 33.5 | 55% | 0.547 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -34.9 | -179.2 | -50.8 | 71.2 | -150 | 0 | 0 | 111.8 | S69 | S69-E71 WeakPolarHBondContact CB-OE2 3.28Å; S69-E71 PolarHBondContact O-N 3.23Å; S69-E71 PolarHBondContact OG-N 3.33Å; S69-E71 PolarHBondContact OG-OE2 3.25Å |
| 72 | T | 93.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 106.2 | -176.9 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | R25 S27 V66 M68 S69 G74 | R25-T72 HydrophobicContact CB-CG2 4.39Å; S27-T72 PolarHBondContact OG-OG1 2.93Å; V66-T72 HydrophobicContact CG1-CG2 4.25Å; M68-T72 CarbonylContact C-O 3.54Å; M68-T72 VanDerWaalsContact CA-O 3.3Å; M68-T72 WeakPolarHBondContact CA-O 3.45Å; S69-T72 CarbonylContact C-O 3.54Å; S69-T72 PolarHBondContact N-O 3.12Å; S69-T72 CarbonylContact O-C 3.37Å; S69-T72 PolarHBondContact O-N 2.65Å; S69-T72 PolarHBondContact OG-N 3.37Å; T72-G74 PolarHBondContact O-N 3.45Å |
| 73 | N | 95.2 | Very high | 95.3 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34.8 | -179.9 | -51.5 | -40.9 | 0 | 0 | 0 | 113.5 | I24 R25 I67 M68 A75 R94 | I24-N73 WeakPolarHBondContact CG2-ND2 3.39Å; R25-N73 PolarHBondContact N-ND2 2.92Å; R25-N73 PolarHBondContact N-OD1 3.14Å; R25-N73 PolarHBondContact O-ND2 3.27Å; I67-N73 PolarHBondContact O-ND2 3.2Å; M68-N73 WeakPolarHBondContact CE-O 3.48Å; N73-A75 PolarHBondContact O-N 3.03Å; N73-R94 HydrophobicContact CB-CG 4.12Å; N73-R94 PolarHBondContact O-NE 2.92Å; N73-R94 PolarHBondContact O-NH2 2.03Å |
| 74 | G | 93.9 | Very high | 95.5 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 38% | 0.381 | 14% | 0.143 | S | C | . | . | trans | 55.4 | 52.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | S69 T72 R94 | S69-G74 PolarHBondContact O-N 3.14Å; S69-G74 VanDerWaalsContact O-N 3.16Å; T72-G74 PolarHBondContact O-N 3.45Å; G74-R94 PolarHBondContact O-NH2 2.91Å | ||
| 75 | A | 96.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | trans | -66.4 | 142 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P58 M68 S69 R70 N73 N80 | P58-A75 HydrophobicContact CG-CB 3.69Å; M68-A75 HydrophobicContact CG-CB 3.88Å; S69-A75 WeakPolarHBondContact O-CB 3.29Å; S69-A75 PolarHBondContact O-N 3.13Å; R70-A75 WeakPolarHBondContact CA-O 3.32Å; N73-A75 PolarHBondContact O-N 3.03Å; A75-N80 VanDerWaalsContact CA-OD1 3.25Å; A75-N80 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 76 | G | 94.7 | Very high | 95.7 | Very high | 18 Ų | 18 | 26 Ų | 26 | 19% | 0.186 | 13% | 0.13 | C | C | . | . | trans | -160.2 | -167 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N80 N96 H126 | G76-N80 PolarHBondContact N-OD1 3.12Å; G76-N80 PolarHBondContact O-ND2 2.94Å; G76-N80 PolarHBondContact O-OD1 3.28Å; G76-N96 PolarHBondContact N-ND2 2.88Å; G76-N96 PolarHBondContact O-ND2 2.49Å; G76-H126 WeakPolarHBondContact O-CB 3.45Å | ||
| 77 | R | 94.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 30.4 Ų | 30.4 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -54.4 | 146.2 | 175.5 | 178.6 | 172.6 | 68.2 | -162.8 | -5.3 | 110.8 | N96 D98 L101 H126 D127 D128 | R77-N96 PolarHBondContact O-ND2 3.21Å; R77-D98 IonicContact CZ-OD1 2.75Å; R77-D98 IonicContact CZ-OD2 3.56Å; R77-D98 VanDerWaalsContact CZ-OD2 3.32Å; R77-D98 VanDerWaalsContact NE-CG 3.34Å; R77-D98 IonicContact NE-OD1 3.86Å; R77-D98 PolarHBondContact NE-OD1 3.36Å; R77-D98 IonicContact NE-OD2 2.88Å; R77-D98 PolarHBondContact NE-OD2 2.54Å; R77-D98 IonicContact NH2-OD1 2.68Å; R77-D98 PolarHBondContact NH2-OD1 3.11Å; R77-D98 IonicContact NH2-OD2 3.44Å; R77-D98 PolarHBondContact NH2-OD2 2.95Å; R77-L101 VanDerWaalsContact NH2-CG 3.35Å; R77-H126 WeakPolarHBondContact CA-O 3.48Å; R77-D127 HydrophobicContact CB-CB 4.29Å; R77-D127 WeakPolarHBondContact CD-OD2 3.31Å; R77-D127 HydrophobicContact CG-CB 4.02Å; R77-D128 WeakPolarHBondContact CG-O 3.43Å |
| 78 | G | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -146.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F97 T125 H126 D128 | G78-F97 CarbonylContact C-O 3.6Å; G78-F97 WeakPolarHBondContact CA-O 3.11Å; G78-T125 WeakPolarHBondContact O-CA 3.02Å; G78-H126 PolarHBondContact N-O 3.14Å; G78-H126 PolarHBondContact O-N 2.97Å; G78-D128 WeakPolarHBondContact CA-O 3.49Å; G78-D128 PolarHBondContact N-O 3.09Å |
| 79 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.4 | -179.2 | -61.5 | 174.2 | 0 | 0 | 0 | 110.3 | V81 N96 F97 T99 L108 V123 T125 A129 L133 F141 W158 | L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-N96 CarbonylContact O-C 3.39Å; L79-N96 WeakPolarHBondContact O-CA 3.45Å; L79-F97 HydrophobicContact CB-CB 4.37Å; L79-F97 HydrophobicContact CD1-CD1 4.36Å; L79-F97 PolarHBondContact N-O 2.6Å; L79-F97 PolarHBondContact O-N 2.85Å; L79-T99 HydrophobicContact CD1-CG2 4.27Å; L79-T99 HydrophobicContact CG-CG2 3.99Å; L79-L108 HydrophobicContact CD1-CD2 3.74Å; L79-V123 HydrophobicContact CB-CG1 4.41Å; L79-V123 HydrophobicContact CD2-CG1 3.84Å; L79-T125 HydrophobicContact CD2-CG2 4.04Å; L79-A129 HydrophobicContact CD2-CB 3.84Å; L79-A129 HydrophobicContact CG-CB 4.23Å; L79-L133 HydrophobicContact CD1-CD1 4.04Å; L79-F141 HydrophobicContact CD1-CE2 4.03Å; L79-F141 HydrophobicContact CD1-CZ 4.23Å; L79-W158 HydrophobicContact CD2-CE3 4.38Å; L79-W158 HydrophobicContact CD2-CZ3 4.13Å |
| 80 | N | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.6 | 171 | -57.5 | -78.9 | 0 | 0 | 0 | 108.2 | M68 A75 G76 L95 N96 V123 L124 | M68-N80 HydrophobicContact SD-CB 3.99Å; A75-N80 VanDerWaalsContact CA-OD1 3.25Å; A75-N80 WeakPolarHBondContact CA-OD1 3.41Å; G76-N80 PolarHBondContact N-OD1 3.12Å; G76-N80 PolarHBondContact O-ND2 2.94Å; G76-N80 PolarHBondContact O-OD1 3.28Å; N80-L95 CarbonylContact C-O 3.53Å; N80-L95 WeakPolarHBondContact CA-O 3.38Å; N80-N96 PolarHBondContact OD1-ND2 3.43Å; N80-V123 CarbonylContact O-C 3.49Å; N80-V123 WeakPolarHBondContact O-CA 3.12Å; N80-L124 HydrophobicContact CB-CB 4.5Å; N80-L124 VanDerWaalsContact CB-O 3.31Å; N80-L124 WeakPolarHBondContact CB-O 3.05Å; N80-L124 PolarHBondContact N-O 3.26Å; N80-L124 PolarHBondContact ND2-O 3.41Å; N80-L124 VanDerWaalsContact ND2-O 3.14Å; N80-L124 PolarHBondContact O-N 2.87Å |
| 81 | V | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.2 | -169.5 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | L79 R94 L95 L108 L112 V121 I122 V123 | L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-R94 CarbonylContact O-C 3.6Å; V81-R94 WeakPolarHBondContact O-CA 3.42Å; V81-L95 HydrophobicContact CB-CB 4.15Å; V81-L95 HydrophobicContact CB-CD1 4.06Å; V81-L95 HydrophobicContact CG1-CD1 4.12Å; V81-L95 PolarHBondContact N-O 2.78Å; V81-L95 PolarHBondContact O-N 2.97Å; V81-L108 HydrophobicContact CG2-CD1 4.42Å; V81-L112 HydrophobicContact CG1-CD2 4.47Å; V81-V121 HydrophobicContact CG1-CG2 3.6Å; V81-I122 CarbonylContact C-O 3.45Å; V81-I122 VanDerWaalsContact CA-O 3.28Å; V81-I122 WeakPolarHBondContact CA-O 3.49Å; V81-V123 HydrophobicContact CG1-CG2 4.41Å; V81-V123 HydrophobicContact CG2-CG1 4.22Å; V81-V123 HydrophobicContact CG2-CG2 4.37Å |
| 82 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.8 | 170.2 | -67.6 | -61.2 | 0 | 0 | 0 | 109.1 | I60 I62 I67 M68 V91 R94 V121 I122 | I60-I82 HydrophobicContact CD1-CG1 4.01Å; I62-I82 HydrophobicContact CD1-CG2 4.07Å; I67-I82 HydrophobicContact CG2-CD1 3.78Å; I67-I82 HydrophobicContact CG2-CG1 4.27Å; M68-I82 HydrophobicContact CB-CD1 4.18Å; M68-I82 HydrophobicContact CB-CG1 4.34Å; M68-I82 HydrophobicContact CG-CD1 4.48Å; M68-I82 HydrophobicContact SD-CD1 3.74Å; M68-I82 HydrophobicContact SD-CG1 3.98Å; I82-V91 HydrophobicContact CD1-CG1 4.3Å; I82-V91 HydrophobicContact CG2-CG1 3.74Å; I82-R94 HydrophobicContact CD1-CB 3.57Å; I82-V121 CarbonylContact O-C 3.6Å; I82-V121 WeakPolarHBondContact O-CA 3.26Å; I82-I122 HydrophobicContact CB-CB 4.24Å; I82-I122 HydrophobicContact CB-CD1 4.49Å; I82-I122 HydrophobicContact CG2-CD1 4.26Å; I82-I122 PolarHBondContact N-O 3.33Å; I82-I122 PolarHBondContact O-N 2.92Å |
| 83 | I | 97.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.5 | 169.5 | -59.4 | 174.2 | 0 | 0 | 0 | 107.9 | L92 R93 L95 I111 L115 Q119 L120 | I83-L92 HydrophobicContact CG2-CB 4.32Å; I83-L92 HydrophobicContact CG2-CD1 4.36Å; I83-L92 PolarHBondContact O-N 2.85Å; I83-R93 HydrophobicContact CB-CB 4.14Å; I83-R93 HydrophobicContact CD1-CB 4.16Å; I83-R93 HydrophobicContact CD1-CG 4.5Å; I83-R93 HydrophobicContact CG1-CB 4.38Å; I83-R93 PolarHBondContact N-O 3.4Å; I83-R93 PolarHBondContact O-N 2.86Å; I83-L95 HydrophobicContact CD1-CD1 4.41Å; I83-I111 HydrophobicContact CD1-CG2 3.47Å; I83-I111 VanDerWaalsContact CD1-CG2 3.47Å; I83-L115 HydrophobicContact CB-CD2 4.31Å; I83-L115 HydrophobicContact CD1-CD2 3.62Å; I83-L115 HydrophobicContact CG1-CD2 3.86Å; I83-L115 HydrophobicContact CG2-CD2 3.49Å; I83-L115 VanDerWaalsContact CG2-CD2 3.49Å; I83-Q119 HydrophobicContact CG2-CB 4.15Å; I83-Q119 HydrophobicContact CG2-CG 4.24Å; I83-L120 WeakPolarHBondContact CA-O 3.37Å |
| 84 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.3 | -171.2 | 170.5 | 69 | 0 | 0 | 0 | 110.3 | I44 I62 P86 G89 V91 Q119 L120 I122 | I44-L84 HydrophobicContact CD1-CD1 4.33Å; I44-L84 HydrophobicContact CD1-CD2 3.55Å; I44-L84 HydrophobicContact CD1-CG 4.37Å; I44-L84 HydrophobicContact CG1-CD2 4.32Å; I44-L84 HydrophobicContact CG2-CD2 4.34Å; I62-L84 HydrophobicContact CD1-CD1 4.11Å; I62-L84 HydrophobicContact CD1-CD2 3.87Å; I62-L84 HydrophobicContact CD1-CG 4.39Å; I62-L84 HydrophobicContact CG2-CD2 4.35Å; L84-P86 HydrophobicContact CD2-CB 4.44Å; L84-P86 WeakPolarHBondContact O-CD 2.95Å; L84-G89 WeakPolarHBondContact CD1-O 3.1Å; L84-V91 HydrophobicContact CD1-CG2 4.26Å; L84-Q119 CarbonylContact O-C 3.54Å; L84-Q119 WeakPolarHBondContact O-CA 3.43Å; L84-L120 HydrophobicContact CB-CB 4.45Å; L84-L120 HydrophobicContact CD2-CD1 4.35Å; L84-L120 PolarHBondContact N-O 3.35Å; L84-L120 PolarHBondContact O-N 2.93Å; L84-I122 HydrophobicContact CD2-CD1 4.49Å |
| 85 | E | 95.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 103.1 | 159.9 | -175.2 | 177.9 | -112.6 | 0 | 0 | 108.6 | L87 T88 G89 I90 L92 | E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.83Å; E85-T88 PolarHBondContact O-N 3.5Å; E85-T88 PolarHBondContact O-OG1 3.43Å; E85-T88 WeakPolarHBondContact OE2-CB 3.38Å; E85-T88 WeakPolarHBondContact OE2-CG2 3.22Å; E85-T88 PolarHBondContact OE2-OG1 2.91Å; E85-G89 WeakPolarHBondContact O-CA 3.43Å; E85-G89 PolarHBondContact O-N 2.86Å; E85-I90 PolarHBondContact N-O 3.42Å; E85-I90 PolarHBondContact O-N 2.93Å; E85-L92 HydrophobicContact CB-CD1 4.21Å; E85-L92 HydrophobicContact CB-CG 4.38Å |
| 86 | P | 93.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.7 | -168.4 | 33.9 | -38.4 | 0 | 0 | 0 | 113.4 | I44 L84 E118 L120 Y212 | I44-P86 HydrophobicContact CD1-CB 4.5Å; I44-P86 HydrophobicContact CG2-CB 4.33Å; L84-P86 HydrophobicContact CD2-CB 4.44Å; L84-P86 WeakPolarHBondContact O-CD 2.95Å; P86-E118 WeakPolarHBondContact CD-O 3.38Å; P86-L120 HydrophobicContact CB-CD1 3.87Å; P86-L120 HydrophobicContact CB-CG 4.15Å; P86-L120 HydrophobicContact CG-CD1 4.26Å; P86-L120 HydrophobicContact CG-CG 4.01Å; P86-Y212 HydrophobicContact CB-CD1 3.52Å; P86-Y212 HydrophobicContact CB-CD2 4.08Å; P86-Y212 HydrophobicContact CB-CE1 3.98Å; P86-Y212 HydrophobicContact CB-CG 3.55Å; P86-Y212 HydrophobicContact CG-CD1 3.94Å; P86-Y212 HydrophobicContact CG-CD2 3.63Å; P86-Y212 HydrophobicContact CG-CE2 4.34Å; P86-Y212 HydrophobicContact CG-CG 3.39Å |
| 87 | L | 90.2 | Very high | 95.1 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 48% | 0.482 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -40.7 | 175.9 | -179.5 | 62.6 | 0 | 0 | 0 | 112 | E85 Y212 | E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 2.83Å; L87-Y212 HydrophobicContact CB-CE2 4.21Å; L87-Y212 HydrophobicContact CD1-CE2 4.28Å |
| 88 | T | 91.1 | Very high | 95 | Very high | 76 Ų | 76 | 35.2 Ų | 35.2 | 47% | 0.466 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17.3 | -179 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | E85 I90 | E85-T88 PolarHBondContact O-N 3.5Å; E85-T88 PolarHBondContact O-OG1 3.43Å; E85-T88 WeakPolarHBondContact OE2-CB 3.38Å; E85-T88 WeakPolarHBondContact OE2-CG2 3.22Å; E85-T88 PolarHBondContact OE2-OG1 2.91Å; T88-I90 HydrophobicContact CG2-CD1 4.44Å; T88-I90 PolarHBondContact O-N 2.71Å; T88-I90 WeakPolarHBondContact OG1-CB 3.36Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.26Å; T88-I90 PolarHBondContact OG1-N 3.33Å |
| 89 | G | 90.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L84 E85 V91 | L84-G89 WeakPolarHBondContact CD1-O 3.1Å; E85-G89 WeakPolarHBondContact O-CA 3.43Å; E85-G89 PolarHBondContact O-N 2.86Å; G89-V91 PolarHBondContact O-N 3.24Å |
| 90 | I | 93.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 48% | 0.482 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.6 | -176.6 | -65.4 | 171.9 | 0 | 0 | 0 | 109.8 | E85 T88 L92 | E85-I90 PolarHBondContact N-O 3.42Å; E85-I90 PolarHBondContact O-N 2.93Å; T88-I90 HydrophobicContact CG2-CD1 4.44Å; T88-I90 PolarHBondContact O-N 2.71Å; T88-I90 WeakPolarHBondContact OG1-CB 3.36Å; T88-I90 WeakPolarHBondContact OG1-CG1 3.26Å; T88-I90 PolarHBondContact OG1-N 3.33Å; I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 PolarHBondContact O-N 2.84Å |
| 91 | V | 96.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.7 | 169.6 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | I24 I62 I67 I82 L84 G89 | I24-V91 HydrophobicContact CD1-CB 3.81Å; I24-V91 HydrophobicContact CD1-CG1 3.4Å; I24-V91 VanDerWaalsContact CD1-CG1 3.4Å; I24-V91 WeakPolarHBondContact CD1-O 3.42Å; I24-V91 HydrophobicContact CG2-CB 4.21Å; I24-V91 HydrophobicContact CG2-CG1 4.21Å; I62-V91 HydrophobicContact CD1-CG2 4.12Å; I67-V91 HydrophobicContact CD1-CG2 4.33Å; I67-V91 HydrophobicContact CG1-CG2 4.4Å; I67-V91 HydrophobicContact CG2-CB 4.45Å; I67-V91 HydrophobicContact CG2-CG1 4.11Å; I67-V91 HydrophobicContact CG2-CG2 3.75Å; I82-V91 HydrophobicContact CD1-CG1 4.3Å; I82-V91 HydrophobicContact CG2-CG1 3.74Å; L84-V91 HydrophobicContact CD1-CG2 4.26Å; G89-V91 PolarHBondContact O-N 3.24Å |
| 92 | L | 95.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 50 Ų | 50 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -36.4 | -175.3 | -61.1 | 176.3 | 0 | 0 | 0 | 112.1 | I83 E85 I90 Q119 | I83-L92 HydrophobicContact CG2-CB 4.32Å; I83-L92 HydrophobicContact CG2-CD1 4.36Å; I83-L92 PolarHBondContact O-N 2.85Å; E85-L92 HydrophobicContact CB-CD1 4.21Å; E85-L92 HydrophobicContact CB-CG 4.38Å; I90-L92 HydrophobicContact CG2-CD2 4Å; I90-L92 PolarHBondContact O-N 2.84Å; L92-Q119 HydrophobicContact CD1-CG 3.85Å |
| 93 | R | 96 | Very high | 91.3 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.5 | 179.2 | -61.4 | -168.8 | 178.3 | -136.3 | 6.3 | 111.5 | I83 | I83-R93 HydrophobicContact CB-CB 4.14Å; I83-R93 HydrophobicContact CD1-CB 4.16Å; I83-R93 HydrophobicContact CD1-CG 4.5Å; I83-R93 HydrophobicContact CG1-CB 4.38Å; I83-R93 PolarHBondContact N-O 3.4Å; I83-R93 PolarHBondContact O-N 2.86Å |
| 94 | R | 95.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.3 | 166 | 57.9 | 76.4 | 46.9 | -162.8 | -2 | 109.7 | I24 M68 N73 G74 V81 I82 | I24-R94 HydrophobicContact CD1-CG 4.28Å; I24-R94 HydrophobicContact CG1-CG 4.19Å; M68-R94 HydrophobicContact CE-CB 4.11Å; M68-R94 VanDerWaalsContact CE-NH2 3.34Å; N73-R94 HydrophobicContact CB-CG 4.12Å; N73-R94 PolarHBondContact O-NE 2.92Å; N73-R94 PolarHBondContact O-NH2 2.03Å; G74-R94 PolarHBondContact O-NH2 2.91Å; V81-R94 CarbonylContact O-C 3.6Å; V81-R94 WeakPolarHBondContact O-CA 3.42Å; I82-R94 HydrophobicContact CD1-CB 3.57Å |
| 95 | L | 94.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 135.7 | -178.7 | -55.1 | 129.1 | 0 | 0 | 0 | 108.9 | M68 N80 V81 I83 I111 | M68-L95 WeakPolarHBondContact CE-O 3.39Å; N80-L95 CarbonylContact C-O 3.53Å; N80-L95 WeakPolarHBondContact CA-O 3.38Å; V81-L95 HydrophobicContact CB-CB 4.15Å; V81-L95 HydrophobicContact CB-CD1 4.06Å; V81-L95 HydrophobicContact CG1-CD1 4.12Å; V81-L95 PolarHBondContact N-O 2.78Å; V81-L95 PolarHBondContact O-N 2.97Å; I83-L95 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CG2 3.88Å; L95-I111 HydrophobicContact CD2-CD1 3.43Å; L95-I111 VanDerWaalsContact CD2-CD1 3.43Å |
| 96 | N | 95 | Very high | 89.5 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.4 | 159.3 | 169 | -110.9 | 0 | 0 | 0 | 106 | G76 R77 L79 N80 | G76-N96 PolarHBondContact N-ND2 2.88Å; G76-N96 PolarHBondContact O-ND2 2.49Å; R77-N96 PolarHBondContact O-ND2 3.21Å; L79-N96 CarbonylContact O-C 3.39Å; L79-N96 WeakPolarHBondContact O-CA 3.45Å; N80-N96 PolarHBondContact OD1-ND2 3.43Å |
| 97 | F | 94.4 | Very high | 89.2 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 100.8 | 178.6 | -179.2 | -104.6 | 0 | 0 | 0 | 107.9 | G78 L79 T99 E102 D105 L108 | G78-F97 CarbonylContact C-O 3.6Å; G78-F97 WeakPolarHBondContact CA-O 3.11Å; L79-F97 HydrophobicContact CB-CB 4.37Å; L79-F97 HydrophobicContact CD1-CD1 4.36Å; L79-F97 PolarHBondContact N-O 2.6Å; L79-F97 PolarHBondContact O-N 2.85Å; F97-T99 HydrophobicContact CD1-CG2 3.59Å; F97-T99 HydrophobicContact CE1-CG2 3.8Å; F97-T99 PolarHBondContact O-N 3.2Å; F97-E102 HydrophobicContact CD2-CB 4.02Å; F97-E102 HydrophobicContact CD2-CG 3.96Å; F97-E102 HydrophobicContact CE1-CB 4.45Å; F97-E102 HydrophobicContact CE2-CB 3.37Å; F97-E102 HydrophobicContact CE2-CG 3.81Å; F97-E102 HydrophobicContact CZ-CB 3.62Å; F97-E102 HydrophobicContact CZ-CG 4.45Å; F97-D105 HydrophobicContact CE1-CB 4.33Å; F97-D105 HydrophobicContact CE2-CB 4.49Å; F97-D105 HydrophobicContact CZ-CB 3.75Å; F97-L108 HydrophobicContact CB-CD2 4.41Å; F97-L108 HydrophobicContact CD1-CD2 3.71Å; F97-L108 HydrophobicContact CD2-CB 4.39Å; F97-L108 HydrophobicContact CE1-CD2 4.13Å; F97-L108 HydrophobicContact CG-CD2 4.02Å |
| 98 | D | 92.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | trans | -75.2 | 93.1 | 177.7 | -174.3 | -16.1 | 0 | 0 | 0 | 109.3 | R77 F100 L101 E102 | R77-D98 IonicContact CZ-OD1 2.75Å; R77-D98 IonicContact CZ-OD2 3.56Å; R77-D98 VanDerWaalsContact CZ-OD2 3.32Å; R77-D98 VanDerWaalsContact NE-CG 3.34Å; R77-D98 IonicContact NE-OD1 3.86Å; R77-D98 PolarHBondContact NE-OD1 3.36Å; R77-D98 IonicContact NE-OD2 2.88Å; R77-D98 PolarHBondContact NE-OD2 2.54Å; R77-D98 IonicContact NH2-OD1 2.68Å; R77-D98 PolarHBondContact NH2-OD1 3.11Å; R77-D98 IonicContact NH2-OD2 3.44Å; R77-D98 PolarHBondContact NH2-OD2 2.95Å; D98-F100 PolarHBondContact O-N 3.13Å; D98-F100 WeakPolarHBondContact OD1-CB 3.44Å; D98-F100 PolarHBondContact OD1-N 3Å; D98-L101 HydrophobicContact CB-CB 4.47Å; D98-L101 PolarHBondContact O-N 2.76Å; D98-L101 VanDerWaalsContact O-N 3.09Å; D98-L101 PolarHBondContact OD1-N 3.38Å; D98-L101 WeakPolarHBondContact OD2-CD1 3.33Å; D98-E102 VanDerWaalsContact O-CB 3.26Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 VanDerWaalsContact O-CG 3.28Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.92Å | ||
| 99 | T | 86 | Confident | 89.2 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.2 | -174.6 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | L79 F97 A129 H131 | L79-T99 HydrophobicContact CD1-CG2 4.27Å; L79-T99 HydrophobicContact CG-CG2 3.99Å; F97-T99 HydrophobicContact CD1-CG2 3.59Å; F97-T99 HydrophobicContact CE1-CG2 3.8Å; F97-T99 PolarHBondContact O-N 3.2Å; T99-A129 HydrophobicContact CG2-CB 4.43Å; T99-A129 VanDerWaalsContact OG1-C 3.24Å; T99-A129 VanDerWaalsContact OG1-CA 3.27Å; T99-A129 WeakPolarHBondContact OG1-CA 3.4Å; T99-H131 CarbonylContact C-O 3.53Å; T99-H131 VanDerWaalsContact C-O 3.27Å; T99-H131 WeakPolarHBondContact CB-O 3.32Å; T99-H131 CarbonylContact O-C 3.27Å; T99-H131 PolarHBondContact OG1-O 2.98Å |
| 100 | F | 83.5 | Confident | 89.3 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -36.8 | 176 | -169.1 | -90.4 | 0 | 0 | 0 | 112.7 | D98 H131 | D98-F100 PolarHBondContact O-N 3.13Å; D98-F100 WeakPolarHBondContact OD1-CB 3.44Å; D98-F100 PolarHBondContact OD1-N 3Å; F100-H131 HydrophobicContact CD2-CB 4.08Å; F100-H131 AromaticContact CD2-CD2 3.92Å; F100-H131 AromaticContact CD2-CG 3.87Å |
| 101 | L | 85.6 | Confident | 89.3 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 59% | 0.592 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -36.4 | -178.1 | -63.7 | 178.6 | 0 | 0 | 0 | 112.7 | R77 D98 K103 | R77-L101 VanDerWaalsContact NH2-CG 3.35Å; D98-L101 HydrophobicContact CB-CB 4.47Å; D98-L101 PolarHBondContact O-N 2.76Å; D98-L101 VanDerWaalsContact O-N 3.09Å; D98-L101 PolarHBondContact OD1-N 3.38Å; D98-L101 WeakPolarHBondContact OD2-CD1 3.33Å; L101-K103 PolarHBondContact O-N 3.14Å |
| 102 | E | 79.8 | Confident | 89.2 | Confident | 97 Ų | 97 | 62 Ų | 62 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | trans | -77.8 | 112.1 | -177.8 | -61.5 | -67.9 | 169.5 | 0 | 0 | 109.7 | F97 D98 | F97-E102 HydrophobicContact CD2-CB 4.02Å; F97-E102 HydrophobicContact CD2-CG 3.96Å; F97-E102 HydrophobicContact CE1-CB 4.45Å; F97-E102 HydrophobicContact CE2-CB 3.37Å; F97-E102 HydrophobicContact CE2-CG 3.81Å; F97-E102 HydrophobicContact CZ-CB 3.62Å; F97-E102 HydrophobicContact CZ-CG 4.45Å; D98-E102 VanDerWaalsContact O-CB 3.26Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 VanDerWaalsContact O-CG 3.28Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.92Å | ||
| 103 | K | 75 | Confident | 89.1 | Confident | 211 Ų | 211 | 61.1 Ų | 61.1 | 92% | 0.917 | 31% | 0.312 | S | S | * | . | trans | -89.8 | -17.1 | 177.5 | -65.2 | -174.5 | 179.3 | -178.6 | 0 | 113.4 | L101 | L101-K103 PolarHBondContact O-N 3.14Š| ||
| 104 | D | 82 | Confident | 89 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | trans | -113.8 | 111.6 | -179.6 | -177.7 | 9.7 | 0 | 0 | 0 | 109.3 | T106 | D104-T106 WeakPolarHBondContact OD1-CB 3.28Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.01Å | ||
| 105 | D | 82.4 | Confident | 89 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | trans | -96 | 4.6 | 178.4 | 63.1 | -2.8 | 0 | 0 | 0 | 113 | F97 A107 L108 D109 S134 I137 | F97-D105 HydrophobicContact CE1-CB 4.33Å; F97-D105 HydrophobicContact CE2-CB 4.49Å; F97-D105 HydrophobicContact CZ-CB 3.75Å; D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 VanDerWaalsContact O-N 3.13Å; D105-L108 PolarHBondContact O-N 3.13Å; D105-D109 PolarHBondContact O-N 2.74Å; D105-S134 WeakPolarHBondContact OD2-CB 3.48Å; D105-S134 PolarHBondContact OD2-OG 3.28Å; D105-I137 HydrophobicContact CB-CD1 4.13Å; D105-I137 HydrophobicContact CB-CG1 3.8Å; D105-I137 WeakPolarHBondContact OD2-CG1 3.47Å | ||
| 106 | T | 86.3 | Confident | 89 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.1 | -37.7 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | D104 L110 | D104-T106 WeakPolarHBondContact OD1-CB 3.28Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.01Å; T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 PolarHBondContact O-N 3.23Å |
| 107 | A | 87.5 | Confident | 89 | Confident | 61 Ų | 61 | 62 Ų | 62 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D105 I111 | D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 VanDerWaalsContact O-N 3.13Å; A107-I111 WeakPolarHBondContact O-CB 3.38Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å; A107-I111 VanDerWaalsContact O-N 3.15Å |
| 108 | L | 91.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 177.1 | 179.4 | 62.9 | 0 | 0 | 0 | 110.4 | L79 V81 F97 D105 L110 I111 L112 I137 | L79-L108 HydrophobicContact CD1-CD2 3.74Å; V81-L108 HydrophobicContact CG2-CD1 4.42Å; F97-L108 HydrophobicContact CB-CD2 4.41Å; F97-L108 HydrophobicContact CD1-CD2 3.71Å; F97-L108 HydrophobicContact CD2-CB 4.39Å; F97-L108 HydrophobicContact CE1-CD2 4.13Å; F97-L108 HydrophobicContact CG-CD2 4.02Å; D105-L108 PolarHBondContact O-N 3.13Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.98Å; L108-I111 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD1-CD1 3.89Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.33Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 2.69Å; L108-I137 HydrophobicContact CB-CD1 4.01Å; L108-I137 HydrophobicContact CD2-CD1 4Å; L108-I137 HydrophobicContact CD2-CG1 4.5Å; L108-I137 HydrophobicContact CD2-CG2 4.09Å; L108-I137 HydrophobicContact CG-CD1 3.89Å |
| 109 | D | 90.2 | Very high | 89 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | -179.9 | -168.3 | 36.8 | 0 | 0 | 0 | 111.6 | D105 I111 L112 S113 I137 T140 | D105-D109 PolarHBondContact O-N 2.74Å; D109-I111 VanDerWaalsContact C-N 3.32Å; D109-I111 PolarHBondContact O-N 3.25Å; D109-L112 PolarHBondContact O-N 3.26Å; D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.06Å; D109-S113 PolarHBondContact O-OG 3.31Å; D109-S113 PolarHBondContact OD1-OG 2.9Å; D109-I137 VanDerWaalsContact CA-CD1 3.48Å; D109-I137 HydrophobicContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact N-CD1 3.34Å; D109-T140 PolarHBondContact OD1-OG1 2.74Å |
| 110 | L | 91.9 | Very high | 89.6 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 177.5 | -176.8 | 66.9 | 0 | 0 | 0 | 111.4 | T106 L108 Q114 | T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 PolarHBondContact O-N 3.23Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.98Å; L110-Q114 HydrophobicContact CD1-CG 4.47Å; L110-Q114 VanDerWaalsContact CD1-NE2 3.34Å; L110-Q114 VanDerWaalsContact O-CB 3.29Å; L110-Q114 WeakPolarHBondContact O-CB 3.2Å; L110-Q114 WeakPolarHBondContact O-CG 3.41Å; L110-Q114 PolarHBondContact O-N 2.62Å; L110-Q114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 93.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | -179.7 | -71.8 | 169.3 | 0 | 0 | 0 | 111.1 | I83 L95 A107 L108 D109 Q114 | I83-I111 HydrophobicContact CD1-CG2 3.47Å; I83-I111 VanDerWaalsContact CD1-CG2 3.47Å; L95-I111 HydrophobicContact CD1-CD1 4.41Å; L95-I111 HydrophobicContact CD1-CG2 3.88Å; L95-I111 HydrophobicContact CD2-CD1 3.43Å; L95-I111 VanDerWaalsContact CD2-CD1 3.43Å; A107-I111 WeakPolarHBondContact O-CB 3.38Å; A107-I111 WeakPolarHBondContact O-CD1 3.41Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.98Å; A107-I111 VanDerWaalsContact O-N 3.15Å; L108-I111 PolarHBondContact O-N 2.87Å; D109-I111 VanDerWaalsContact C-N 3.32Å; D109-I111 PolarHBondContact O-N 3.25Å; I111-Q114 PolarHBondContact O-N 2.94Å |
| 112 | L | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | -179.6 | -67.1 | 178.1 | 0 | 0 | 0 | 111.9 | V81 L108 D109 Q114 L115 V121 T140 F141 L144 | V81-L112 HydrophobicContact CG1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CD1 3.89Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 3.86Å; L108-L112 HydrophobicContact CG-CG 4.33Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 VanDerWaalsContact O-CG 3.32Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 2.69Å; D109-L112 PolarHBondContact O-N 3.26Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; L112-L115 HydrophobicContact CD2-CD1 4.16Å; L112-L115 VanDerWaalsContact O-CB 3.29Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 WeakPolarHBondContact O-CD1 3.43Å; L112-L115 VanDerWaalsContact O-CG 3.23Å; L112-L115 WeakPolarHBondContact O-CG 3.44Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-V121 HydrophobicContact CD2-CG2 3.89Å; L112-T140 HydrophobicContact CB-CG2 3.5Å; L112-T140 HydrophobicContact CD1-CG2 4.27Å; L112-F141 HydrophobicContact CD1-CD1 4.31Å; L112-F141 HydrophobicContact CD1-CE1 3.64Å; L112-F141 HydrophobicContact CD1-CE2 4.12Å; L112-F141 HydrophobicContact CD1-CZ 3.55Å; L112-F141 HydrophobicContact CD2-CE1 4.25Å; L112-L144 HydrophobicContact CB-CD1 4.24Å; L112-L144 HydrophobicContact CD2-CD1 4.33Å |
| 113 | S | 92.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | 177.8 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | D109 L115 K164 | D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.06Å; D109-S113 PolarHBondContact O-OG 3.31Å; D109-S113 PolarHBondContact OD1-OG 2.9Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 2.83Å; S113-K164 PolarHBondContact O-NZ 3.33Å |
| 114 | Q | 94.3 | Very high | 92.9 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 53% | 0.528 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.2 | 176.9 | -75.6 | 176.5 | 0.3 | 0 | 0 | 114.4 | L110 I111 L112 T116 | L110-Q114 HydrophobicContact CD1-CG 4.47Å; L110-Q114 VanDerWaalsContact CD1-NE2 3.34Å; L110-Q114 VanDerWaalsContact O-CB 3.29Å; L110-Q114 WeakPolarHBondContact O-CB 3.2Å; L110-Q114 WeakPolarHBondContact O-CG 3.41Å; L110-Q114 PolarHBondContact O-N 2.62Å; L110-Q114 VanDerWaalsContact O-N 3.1Å; I111-Q114 PolarHBondContact O-N 2.94Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; Q114-T116 PolarHBondContact O-N 2.85Å |
| 115 | L | 95.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -55.6 | 139.8 | 175.4 | -71.7 | 172.7 | 0 | 0 | 0 | 111.2 | I83 L112 S113 Q119 V121 L144 K164 | I83-L115 HydrophobicContact CB-CD2 4.31Å; I83-L115 HydrophobicContact CD1-CD2 3.62Å; I83-L115 HydrophobicContact CG1-CD2 3.86Å; I83-L115 HydrophobicContact CG2-CD2 3.49Å; I83-L115 VanDerWaalsContact CG2-CD2 3.49Å; L112-L115 HydrophobicContact CD2-CD1 4.16Å; L112-L115 VanDerWaalsContact O-CB 3.29Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 WeakPolarHBondContact O-CD1 3.43Å; L112-L115 VanDerWaalsContact O-CG 3.23Å; L112-L115 WeakPolarHBondContact O-CG 3.44Å; L112-L115 PolarHBondContact O-N 2.78Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 2.83Å; L115-Q119 HydrophobicContact CD2-CB 4.08Å; L115-Q119 VanDerWaalsContact CD2-OE1 3.3Å; L115-V121 HydrophobicContact CD1-CB 3.84Å; L115-V121 HydrophobicContact CD1-CG1 4.15Å; L115-V121 HydrophobicContact CD1-CG2 4.39Å; L115-L144 HydrophobicContact CB-CD2 4.48Å; L115-L144 HydrophobicContact CD1-CD1 3.84Å; L115-L144 HydrophobicContact CD1-CD2 3.84Å; L115-K164 WeakPolarHBondContact O-CD 3.38Å; L115-K164 PolarHBondContact O-NZ 3.26Å; L115-K164 VanDerWaalsContact O-NZ 3.13Å | ||
| 116 | T | 94.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 36% | 0.362 | 20% | 0.202 | S | C | . | . | trans | -90.4 | 164.5 | 171.7 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | Q114 E118 Q119 | Q114-T116 PolarHBondContact O-N 2.85Å; T116-E118 PolarHBondContact O-N 2.91Å; T116-E118 VanDerWaalsContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 3.08Å; T116-Q119 PolarHBondContact O-N 3.33Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.41Å | ||
| 117 | T | 93.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 33 Ų | 33 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | Q163 K164 | T117-Q163 VanDerWaalsContact O-CD 3.31Å; T117-Q163 PolarHBondContact O-NE2 2.75Å; T117-Q163 VanDerWaalsContact O-NE2 3.11Å; T117-K164 HydrophobicContact CG2-CB 4.44Å; T117-K164 HydrophobicContact CG2-CG 4.43Å |
| 118 | E | 92.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6.7 | -179.6 | -62.6 | 179.6 | 104.4 | 0 | 0 | 111.9 | P86 T116 K215 | P86-E118 WeakPolarHBondContact CD-O 3.38Å; T116-E118 PolarHBondContact O-N 2.91Å; T116-E118 VanDerWaalsContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 3.08Å; E118-K215 WeakPolarHBondContact OE1-CB 3.3Å |
| 119 | Q | 95.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 30 Ų | 30 | 17% | 0.173 | 16% | 0.161 | C | C | . | . | trans | -99.4 | 145.7 | -178.4 | -70.3 | 165 | -14.1 | 0 | 0 | 111 | I83 L84 L92 L115 T116 Q163 | I83-Q119 HydrophobicContact CG2-CB 4.15Å; I83-Q119 HydrophobicContact CG2-CG 4.24Å; L84-Q119 CarbonylContact O-C 3.54Å; L84-Q119 WeakPolarHBondContact O-CA 3.43Å; L92-Q119 HydrophobicContact CD1-CG 3.85Å; L115-Q119 HydrophobicContact CD2-CB 4.08Å; L115-Q119 VanDerWaalsContact CD2-OE1 3.3Å; T116-Q119 PolarHBondContact O-N 3.33Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.41Å; Q119-Q163 WeakPolarHBondContact O-CG 3.35Å; Q119-Q163 PolarHBondContact O-NE2 3.02Å; Q119-Q163 VanDerWaalsContact O-NE2 3.14Å | ||
| 120 | L | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 141 | 163 | -64.2 | -177.1 | 0 | 0 | 0 | 109 | I44 I83 L84 P86 Q163 V210 | I44-L120 HydrophobicContact CG2-CD1 3.82Å; I83-L120 WeakPolarHBondContact CA-O 3.37Å; L84-L120 HydrophobicContact CB-CB 4.45Å; L84-L120 HydrophobicContact CD2-CD1 4.35Å; L84-L120 PolarHBondContact N-O 3.35Å; L84-L120 PolarHBondContact O-N 2.93Å; P86-L120 HydrophobicContact CB-CD1 3.87Å; P86-L120 HydrophobicContact CB-CG 4.15Å; P86-L120 HydrophobicContact CG-CD1 4.26Å; P86-L120 HydrophobicContact CG-CG 4.01Å; L120-Q163 HydrophobicContact CD2-CB 3.86Å; L120-Q163 HydrophobicContact CD2-CG 4.36Å; L120-V210 HydrophobicContact CD1-CG1 4.01Å |
| 121 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.4 | 163.9 | 63.2 | 0 | 0 | 0 | 0 | 108.4 | V81 I82 L112 L115 V123 L144 F160 I161 G162 | V81-V121 HydrophobicContact CG1-CG2 3.6Å; I82-V121 CarbonylContact O-C 3.6Å; I82-V121 WeakPolarHBondContact O-CA 3.26Å; L112-V121 HydrophobicContact CD2-CG2 3.89Å; L115-V121 HydrophobicContact CD1-CB 3.84Å; L115-V121 HydrophobicContact CD1-CG1 4.15Å; L115-V121 HydrophobicContact CD1-CG2 4.39Å; V121-V123 HydrophobicContact CG2-CG2 3.89Å; V121-L144 HydrophobicContact CG1-CD1 4.21Å; V121-F160 HydrophobicContact CG1-CE1 4.14Å; V121-I161 CarbonylContact O-C 3.55Å; V121-I161 VanDerWaalsContact O-CA 3.26Å; V121-I161 WeakPolarHBondContact O-CA 3.02Å; V121-G162 PolarHBondContact N-O 3.27Å; V121-G162 PolarHBondContact O-N 3.06Å |
| 122 | I | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126 | 173.8 | -55.6 | 163.1 | 0 | 0 | 0 | 106.2 | I46 L48 I60 I62 V81 I82 L84 F160 I161 | I46-I122 HydrophobicContact CD1-CD1 3.57Å; I46-I122 HydrophobicContact CD1-CG1 4.01Å; I46-I122 HydrophobicContact CG1-CD1 4.13Å; I46-I122 HydrophobicContact CG2-CD1 4.32Å; L48-I122 HydrophobicContact CD2-CG2 4.33Å; I60-I122 HydrophobicContact CD1-CG2 4.11Å; I60-I122 HydrophobicContact CG2-CG2 4.07Å; I62-I122 HydrophobicContact CD1-CD1 3.93Å; I62-I122 HydrophobicContact CG1-CD1 4.35Å; V81-I122 CarbonylContact C-O 3.45Å; V81-I122 VanDerWaalsContact CA-O 3.28Å; V81-I122 WeakPolarHBondContact CA-O 3.49Å; I82-I122 HydrophobicContact CB-CB 4.24Å; I82-I122 HydrophobicContact CB-CD1 4.49Å; I82-I122 HydrophobicContact CG2-CD1 4.26Å; I82-I122 PolarHBondContact N-O 3.33Å; I82-I122 PolarHBondContact O-N 2.92Å; L84-I122 HydrophobicContact CD2-CD1 4.49Å; I122-F160 CarbonylContact C-O 3.47Å; I122-F160 WeakPolarHBondContact CA-O 3.3Å; I122-I161 HydrophobicContact CG1-CG1 4.31Å; I122-I161 HydrophobicContact CG1-CG2 4.09Å; I122-I161 HydrophobicContact CG2-CG1 4.18Å |
| 123 | V | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.3 | -178.9 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | L79 N80 V81 V121 F141 W158 F159 F160 | L79-V123 HydrophobicContact CB-CG1 4.41Å; L79-V123 HydrophobicContact CD2-CG1 3.84Å; N80-V123 CarbonylContact O-C 3.49Å; N80-V123 WeakPolarHBondContact O-CA 3.12Å; V81-V123 HydrophobicContact CG1-CG2 4.41Å; V81-V123 HydrophobicContact CG2-CG1 4.22Å; V81-V123 HydrophobicContact CG2-CG2 4.37Å; V121-V123 HydrophobicContact CG2-CG2 3.89Å; V123-F141 HydrophobicContact CG1-CZ 4.43Å; V123-F141 HydrophobicContact CG2-CD1 4.49Å; V123-F141 HydrophobicContact CG2-CE1 3.61Å; V123-F141 HydrophobicContact CG2-CZ 4.11Å; V123-W158 HydrophobicContact CB-CH2 4.42Å; V123-W158 HydrophobicContact CB-CZ3 4.1Å; V123-W158 HydrophobicContact CG1-CE3 4.2Å; V123-W158 HydrophobicContact CG1-CH2 4.31Å; V123-W158 HydrophobicContact CG1-CZ3 3.58Å; V123-F159 CarbonylContact O-C 3.57Å; V123-F159 WeakPolarHBondContact O-CA 3.18Å; V123-F159 WeakPolarHBondContact O-CB 3.25Å; V123-F160 HydrophobicContact CB-CB 4.42Å; V123-F160 HydrophobicContact CG2-CD1 4.16Å; V123-F160 PolarHBondContact N-O 2.74Å; V123-F160 PolarHBondContact O-N 2.89Å |
| 124 | L | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.4 | 177.3 | -175.6 | 64.4 | 0 | 0 | 0 | 109.8 | L48 Y49 P58 Y59 I60 N80 F159 V204 | L48-L124 HydrophobicContact CB-CD2 4.35Å; L48-L124 HydrophobicContact CD1-CD1 4.07Å; Y49-L124 WeakPolarHBondContact O-CD2 3.31Å; P58-L124 HydrophobicContact CB-CD2 3.88Å; P58-L124 HydrophobicContact CB-CG 4.49Å; Y59-L124 WeakPolarHBondContact O-CD2 3.25Å; I60-L124 HydrophobicContact CD1-CB 3.98Å; I60-L124 HydrophobicContact CD1-CD2 4.34Å; I60-L124 HydrophobicContact CG1-CB 4.2Å; I60-L124 HydrophobicContact CG1-CD2 3.72Å; N80-L124 HydrophobicContact CB-CB 4.5Å; N80-L124 VanDerWaalsContact CB-O 3.31Å; N80-L124 WeakPolarHBondContact CB-O 3.05Å; N80-L124 PolarHBondContact N-O 3.26Å; N80-L124 PolarHBondContact ND2-O 3.41Å; N80-L124 VanDerWaalsContact ND2-O 3.14Å; N80-L124 PolarHBondContact O-N 2.87Å; L124-F159 HydrophobicContact CD1-CB 3.87Å; L124-V204 HydrophobicContact CD1-CG2 4.25Å |
| 125 | T | 97 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 155.6 | 175 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | S50 G78 L79 A129 L152 G156 S157 W158 | S50-T125 WeakPolarHBondContact CB-O 3.11Å; G78-T125 WeakPolarHBondContact O-CA 3.02Å; L79-T125 HydrophobicContact CD2-CG2 4.04Å; T125-A129 HydrophobicContact CG2-CB 3.54Å; T125-L152 HydrophobicContact CG2-CD1 4.17Å; T125-L152 HydrophobicContact CG2-CD2 4.03Å; T125-G156 PolarHBondContact OG1-O 2.77Å; T125-S157 WeakPolarHBondContact OG1-CA 3.12Å; T125-W158 HydrophobicContact CG2-CB 3.82Å; T125-W158 HydrophobicContact CG2-CE3 3.87Å; T125-W158 PolarHBondContact N-O 2.88Å; T125-W158 PolarHBondContact OG1-N 3.23Å; T125-W158 PolarHBondContact OG1-O 2.83Å |
| 126 | H | 96.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144 | 166.1 | -175.6 | 64.9 | 0 | 0 | 0 | 110.5 | S50 Q53 T56 P58 G76 R77 G78 D128 | S50-H126 PolarHBondContact O-ND1 3.04Å; Q53-H126 PolarHBondContact O-CE1 3.49Å; T56-H126 PolarHBondContact O-CE1 3.06Å; P58-H126 HydrophobicContact CB-CB 4.02Å; P58-H126 HydrophobicContact CG-CB 3.68Å; G76-H126 WeakPolarHBondContact O-CB 3.45Å; R77-H126 WeakPolarHBondContact CA-O 3.48Å; G78-H126 PolarHBondContact N-O 3.14Å; G78-H126 PolarHBondContact O-N 2.97Å; H126-D128 PolarHBondContact O-N 2.88Å |
| 127 | D | 93.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 52.3 | -100.9 | -169.4 | -174 | 23.8 | 0 | 0 | 0 | 111.7 | R77 R155 W200 | R77-D127 HydrophobicContact CB-CB 4.29Å; R77-D127 WeakPolarHBondContact CD-OD2 3.31Å; R77-D127 HydrophobicContact CG-CB 4.02Å; D127-R155 VanDerWaalsContact O-CA 3.3Å; D127-R155 WeakPolarHBondContact O-CA 3.4Å; D127-R155 IonicContact OD1-NE 3.67Å; D127-W200 PolarHBondContact OD1-NE1 3.32Å |
| 128 | D | 91.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | trans | -121 | 137 | 172.2 | -175.1 | 58.5 | 0 | 0 | 0 | 111.7 | R77 G78 H126 S130 H131 F154 R155 | R77-D128 WeakPolarHBondContact CG-O 3.43Å; G78-D128 WeakPolarHBondContact CA-O 3.49Å; G78-D128 PolarHBondContact N-O 3.09Å; H126-D128 PolarHBondContact O-N 2.88Å; D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-N 3.29Å; D128-H131 WeakPolarHBondContact OD2-CB 3.34Å; D128-H131 PolarHBondContact OD2-N 3.2Å; D128-F154 HydrophobicContact CB-CD2 4.26Å; D128-F154 HydrophobicContact CB-CE2 4.16Å; D128-F154 WeakPolarHBondContact OD1-CA 3.34Å; D128-F154 WeakPolarHBondContact OD1-CD2 3.49Å; D128-R155 HydrophobicContact CB-CG 4.28Å; D128-R155 PolarHBondContact OD1-N 3.35Å | ||
| 129 | A | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -132.3 | 12.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L79 T99 T125 L152 | L79-A129 HydrophobicContact CD2-CB 3.84Å; L79-A129 HydrophobicContact CG-CB 4.23Å; T99-A129 HydrophobicContact CG2-CB 4.43Å; T99-A129 VanDerWaalsContact OG1-C 3.24Å; T99-A129 VanDerWaalsContact OG1-CA 3.27Å; T99-A129 WeakPolarHBondContact OG1-CA 3.4Å; T125-A129 HydrophobicContact CG2-CB 3.54Å; A129-L152 HydrophobicContact CB-CD2 4.24Å | ||
| 130 | S | 91.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | trans | -101.5 | -32.1 | -174.4 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | D128 G132 L133 N153 F154 | D128-S130 PolarHBondContact OD1-N 3.08Å; D128-S130 PolarHBondContact OD1-OG 3.34Å; D128-S130 PolarHBondContact OD2-N 3.29Å; S130-G132 PolarHBondContact O-N 3.11Å; S130-L133 WeakPolarHBondContact O-CB 3.37Å; S130-L133 PolarHBondContact O-N 3.37Å; S130-N153 VanDerWaalsContact CB-C 3.45Å; S130-N153 WeakPolarHBondContact CB-O 3.47Å; S130-N153 PolarHBondContact OG-O 2.83Å; S130-F154 WeakPolarHBondContact OG-CA 3.29Å; S130-F154 PolarHBondContact OG-N 3.4Å | ||
| 131 | H | 87.1 | Confident | 93.7 | Very high | 102 Ų | 102 | 29.2 Ų | 29.2 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 136.7 | 174.1 | -162.5 | 80.6 | 0 | 0 | 0 | 109.4 | T99 F100 D128 L133 | T99-H131 CarbonylContact C-O 3.53Å; T99-H131 VanDerWaalsContact C-O 3.27Å; T99-H131 WeakPolarHBondContact CB-O 3.32Å; T99-H131 CarbonylContact O-C 3.27Å; T99-H131 PolarHBondContact OG1-O 2.98Å; F100-H131 HydrophobicContact CD2-CB 4.08Å; F100-H131 AromaticContact CD2-CD2 3.92Å; F100-H131 AromaticContact CD2-CG 3.87Å; D128-H131 WeakPolarHBondContact OD2-CB 3.34Å; D128-H131 PolarHBondContact OD2-N 3.2Å; H131-L133 PolarHBondContact O-N 2.78Å |
| 132 | G | 83 | Confident | 93.6 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S130 S134 | S130-G132 PolarHBondContact O-N 3.11Å; G132-S134 PolarHBondContact O-N 2.9Å |
| 133 | L | 89.3 | Confident | 93.5 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | trans | -72.6 | 100.2 | 179.3 | -172.1 | 66.8 | 0 | 0 | 0 | 111.2 | L79 S130 H131 I137 K138 I149 L152 | L79-L133 HydrophobicContact CD1-CD1 4.04Å; S130-L133 WeakPolarHBondContact O-CB 3.37Å; S130-L133 PolarHBondContact O-N 3.37Å; H131-L133 PolarHBondContact O-N 2.78Å; L133-I137 HydrophobicContact CD1-CB 4.08Å; L133-I137 HydrophobicContact CD1-CG2 3.49Å; L133-I137 VanDerWaalsContact CD1-CG2 3.49Å; L133-K138 HydrophobicContact CD2-CG 4.1Å; L133-K138 HydrophobicContact CG-CG 4.08Å; L133-I149 HydrophobicContact CD2-CD1 3.82Å; L133-I149 HydrophobicContact CD2-CG1 4.38Å; L133-L152 HydrophobicContact CD2-CD2 4.08Å | ||
| 134 | S | 90.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -70.4 | 160.7 | -174.6 | 82.4 | 0 | 0 | 0 | 0 | 113.7 | D105 G132 A136 I137 K138 | D105-S134 WeakPolarHBondContact OD2-CB 3.48Å; D105-S134 PolarHBondContact OD2-OG 3.28Å; G132-S134 PolarHBondContact O-N 2.9Å; S134-A136 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact OG-N 3.16Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-I137 PolarHBondContact OG-N 2.04Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.11Å | ||
| 135 | S | 92.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 37 Ų | 37 | 61% | 0.608 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62 | -26.1 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | K139 | S135-K139 VanDerWaalsContact O-CG 3.29Å; S135-K139 WeakPolarHBondContact O-CG 3.43Å; S135-K139 PolarHBondContact O-N 3.28Å; S135-K139 VanDerWaalsContact O-N 3.12Å |
| 136 | A | 91.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.7 | -49.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S134 K138 K139 T140 | S134-A136 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact OG-N 3.16Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-K138 PolarHBondContact O-N 3.4Å; A136-K139 WeakPolarHBondContact O-CB 3.15Å; A136-K139 PolarHBondContact O-N 3.36Å; A136-K139 VanDerWaalsContact O-N 3.12Å; A136-T140 PolarHBondContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.79Å |
| 137 | I | 92.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.1 | -65.1 | -67.3 | 0 | 0 | 0 | 111.7 | D105 L108 D109 L133 S134 K139 T140 F141 | D105-I137 HydrophobicContact CB-CD1 4.13Å; D105-I137 HydrophobicContact CB-CG1 3.8Å; D105-I137 WeakPolarHBondContact OD2-CG1 3.47Å; L108-I137 HydrophobicContact CB-CD1 4.01Å; L108-I137 HydrophobicContact CD2-CD1 4Å; L108-I137 HydrophobicContact CD2-CG1 4.5Å; L108-I137 HydrophobicContact CD2-CG2 4.09Å; L108-I137 HydrophobicContact CG-CD1 3.89Å; D109-I137 VanDerWaalsContact CA-CD1 3.48Å; D109-I137 HydrophobicContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact CB-CD1 3.49Å; D109-I137 VanDerWaalsContact N-CD1 3.34Å; L133-I137 HydrophobicContact CD1-CB 4.08Å; L133-I137 HydrophobicContact CD1-CG2 3.49Å; L133-I137 VanDerWaalsContact CD1-CG2 3.49Å; S134-I137 PolarHBondContact O-N 3.48Å; S134-I137 PolarHBondContact OG-N 2.04Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.89Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.9Å; I137-T140 VanDerWaalsContact O-N 3.14Å; I137-F141 HydrophobicContact CG2-CD2 3.69Å; I137-F141 HydrophobicContact CG2-CE2 3.42Å; I137-F141 VanDerWaalsContact CG2-CE2 3.42Å; I137-F141 HydrophobicContact CG2-CZ 4.44Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 3.02Å |
| 138 | K | 95.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.3 | -66.7 | -172.1 | 176.8 | -169.1 | 0 | 111.8 | L133 S134 A136 T140 F141 Q142 I149 D150 | L133-K138 HydrophobicContact CD2-CG 4.1Å; L133-K138 HydrophobicContact CG-CG 4.08Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.41Å; S134-K138 VanDerWaalsContact O-N 3.11Å; A136-K138 VanDerWaalsContact C-N 3.32Å; A136-K138 PolarHBondContact O-N 3.4Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.28Å; K138-F141 PolarHBondContact O-N 2.85Å; K138-Q142 VanDerWaalsContact O-CG 3.32Å; K138-Q142 WeakPolarHBondContact O-CG 3.27Å; K138-Q142 PolarHBondContact O-N 3.03Å; K138-I149 HydrophobicContact CB-CG1 4.29Å; K138-I149 HydrophobicContact CB-CG2 4.36Å; K138-I149 HydrophobicContact CG-CG1 3.97Å; K138-D150 WeakPolarHBondContact CD-OD1 3.35Å |
| 139 | K | 95.7 | Very high | 94 | Very high | 139 Ų | 139 | 38.6 Ų | 38.6 | 60% | 0.604 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.2 | -38.9 | 174.5 | -74.1 | 173.2 | -178 | -179.6 | 0 | 112.3 | S135 A136 I137 Q142 S143 | S135-K139 VanDerWaalsContact O-CG 3.29Å; S135-K139 WeakPolarHBondContact O-CG 3.43Å; S135-K139 PolarHBondContact O-N 3.28Å; S135-K139 VanDerWaalsContact O-N 3.12Å; A136-K139 WeakPolarHBondContact O-CB 3.15Å; A136-K139 PolarHBondContact O-N 3.36Å; A136-K139 VanDerWaalsContact O-N 3.12Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.89Å; K139-Q142 PolarHBondContact O-N 3.07Å; K139-S143 PolarHBondContact O-N 2.95Å |
| 140 | T | 95.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | D109 L112 A136 I137 K138 S143 L144 | D109-T140 PolarHBondContact OD1-OG1 2.74Å; L112-T140 HydrophobicContact CB-CG2 3.5Å; L112-T140 HydrophobicContact CD1-CG2 4.27Å; A136-T140 PolarHBondContact O-N 3.13Å; A136-T140 PolarHBondContact O-OG1 2.79Å; I137-T140 WeakPolarHBondContact O-CB 3.16Å; I137-T140 PolarHBondContact O-N 2.9Å; I137-T140 VanDerWaalsContact O-N 3.14Å; K138-T140 VanDerWaalsContact C-N 3.32Å; K138-T140 PolarHBondContact O-N 3.28Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.73Å; T140-L144 HydrophobicContact CG2-CD1 4.25Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; T140-L144 VanDerWaalsContact O-N 3.14Å |
| 141 | F | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 173.9 | -76.3 | -55.4 | 0 | 0 | 0 | 113.5 | L79 L112 V123 I137 K138 S143 L144 G145 S146 I149 W158 F160 | L79-F141 HydrophobicContact CD1-CE2 4.03Å; L79-F141 HydrophobicContact CD1-CZ 4.23Å; L112-F141 HydrophobicContact CD1-CD1 4.31Å; L112-F141 HydrophobicContact CD1-CE1 3.64Å; L112-F141 HydrophobicContact CD1-CE2 4.12Å; L112-F141 HydrophobicContact CD1-CZ 3.55Å; L112-F141 HydrophobicContact CD2-CE1 4.25Å; V123-F141 HydrophobicContact CG1-CZ 4.43Å; V123-F141 HydrophobicContact CG2-CD1 4.49Å; V123-F141 HydrophobicContact CG2-CE1 3.61Å; V123-F141 HydrophobicContact CG2-CZ 4.11Å; I137-F141 HydrophobicContact CG2-CD2 3.69Å; I137-F141 HydrophobicContact CG2-CE2 3.42Å; I137-F141 VanDerWaalsContact CG2-CE2 3.42Å; I137-F141 HydrophobicContact CG2-CZ 4.44Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 3.02Å; K138-F141 PolarHBondContact O-N 2.85Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3.09Å; F141-L144 HydrophobicContact CD1-CD1 4.48Å; F141-L144 CarbonylContact O-C 3.59Å; F141-L144 PolarHBondContact O-N 2.88Å; F141-L144 VanDerWaalsContact O-N 3.09Å; F141-G145 PolarHBondContact O-N 2.89Å; F141-G145 VanDerWaalsContact O-N 3.13Å; F141-S146 WeakPolarHBondContact O-CB 3.19Å; F141-S146 PolarHBondContact O-N 3.47Å; F141-I149 HydrophobicContact CB-CB 4.31Å; F141-I149 HydrophobicContact CB-CG1 4.15Å; F141-I149 HydrophobicContact CB-CG2 4.34Å; F141-I149 HydrophobicContact CD2-CD1 4.01Å; F141-I149 HydrophobicContact CD2-CG1 4.05Å; F141-I149 HydrophobicContact CG-CG1 4.46Å; F141-W158 HydrophobicContact CD1-CH2 4.23Å; F141-W158 HydrophobicContact CD2-CH2 4.33Å; F141-W158 HydrophobicContact CE1-CH2 4.46Å; F141-W158 HydrophobicContact CG-CH2 4.19Å; F141-F160 HydrophobicContact CD1-CD1 4.07Å; F141-F160 HydrophobicContact CD1-CE1 4.05Å |
| 142 | Q | 97 | Very high | 94.5 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 172.8 | -70.3 | 166.8 | -11.5 | 0 | 0 | 111.2 | K138 K139 L144 G145 I149 D150 | K138-Q142 VanDerWaalsContact O-CG 3.32Å; K138-Q142 WeakPolarHBondContact O-CG 3.27Å; K138-Q142 PolarHBondContact O-N 3.03Å; K139-Q142 PolarHBondContact O-N 3.07Å; Q142-L144 PolarHBondContact O-N 3.44Å; Q142-G145 PolarHBondContact O-N 3.14Å; Q142-I149 HydrophobicContact CG-CG2 3.83Å; Q142-D150 PolarHBondContact NE2-OD2 3.07Å |
| 143 | S | 95.6 | Very high | 95 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 57% | 0.573 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.9 | -23.4 | 177 | 84.5 | 0 | 0 | 0 | 0 | 113.8 | K139 T140 F141 | K139-S143 PolarHBondContact O-N 2.95Å; T140-S143 PolarHBondContact O-N 2.83Å; T140-S143 PolarHBondContact O-OG 2.73Å; F141-S143 VanDerWaalsContact C-N 3.3Å; F141-S143 PolarHBondContact O-N 3.09Å |
| 144 | L | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -6.1 | 176 | -65.4 | 168 | 0 | 0 | 0 | 112.7 | L112 L115 V121 T140 F141 Q142 F160 G162 Q163 K164 | L112-L144 HydrophobicContact CB-CD1 4.24Å; L112-L144 HydrophobicContact CD2-CD1 4.33Å; L115-L144 HydrophobicContact CB-CD2 4.48Å; L115-L144 HydrophobicContact CD1-CD1 3.84Å; L115-L144 HydrophobicContact CD1-CD2 3.84Å; V121-L144 HydrophobicContact CG1-CD1 4.21Å; T140-L144 HydrophobicContact CG2-CD1 4.25Å; T140-L144 WeakPolarHBondContact O-CG 3.36Å; T140-L144 PolarHBondContact O-N 2.97Å; T140-L144 VanDerWaalsContact O-N 3.14Å; F141-L144 HydrophobicContact CD1-CD1 4.48Å; F141-L144 CarbonylContact O-C 3.59Å; F141-L144 PolarHBondContact O-N 2.88Å; F141-L144 VanDerWaalsContact O-N 3.09Å; Q142-L144 PolarHBondContact O-N 3.44Å; L144-F160 HydrophobicContact CB-CE1 4.19Å; L144-F160 HydrophobicContact CB-CZ 4.23Å; L144-G162 WeakPolarHBondContact O-CA 3.34Å; L144-Q163 PolarHBondContact O-N 3.18Å; L144-Q163 VanDerWaalsContact O-N 3.14Å; L144-K164 HydrophobicContact CD2-CB 3.98Å |
| 145 | G | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.4 | 4.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | F141 Q142 S147 F160 F169 S170 | F141-G145 PolarHBondContact O-N 2.89Å; F141-G145 VanDerWaalsContact O-N 3.13Å; Q142-G145 PolarHBondContact O-N 3.14Å; G145-S147 PolarHBondContact O-N 3Å; G145-F160 VanDerWaalsContact C-CE2 3.49Å; G145-F169 CarbonylContact O-C 3.57Å; G145-F169 VanDerWaalsContact O-CA 3.28Å; G145-F169 WeakPolarHBondContact O-CA 3.06Å; G145-S170 PolarHBondContact O-N 2.88Å |
| 146 | S | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -72.4 | 131.4 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F141 M148 I149 F160 E173 | F141-S146 WeakPolarHBondContact O-CB 3.19Å; F141-S146 PolarHBondContact O-N 3.47Å; S146-M148 PolarHBondContact OG-N 3.02Å; S146-I149 VanDerWaalsContact OG-CB 3.26Å; S146-I149 WeakPolarHBondContact OG-CB 3.44Å; S146-I149 PolarHBondContact OG-N 2.87Å; S146-F160 VanDerWaalsContact CA-CE2 3.47Å; S146-F160 VanDerWaalsContact N-CE2 3.31Å; S146-F160 VanDerWaalsContact N-CZ 3.33Å; S146-E173 WeakPolarHBondContact CB-OE1 3.44Å; S146-E173 PolarHBondContact OG-OE1 3.28Å | ||
| 147 | S | 97.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -102 | -17.3 | 170.7 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | G145 E173 | G145-S147 PolarHBondContact O-N 3Å; S147-E173 PolarHBondContact N-OE2 2.92Å; S147-E173 PolarHBondContact OG-OE2 2.8Å |
| 148 | M | 97.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -115.8 | -0.4 | -169.4 | -49.7 | -162.1 | -162.3 | 0 | 0 | 114.3 | S146 D150 K151 E173 V175 | S146-M148 PolarHBondContact OG-N 3.02Å; M148-D150 PolarHBondContact O-N 3.04Å; M148-D150 VanDerWaalsContact O-N 3.13Å; M148-K151 HydrophobicContact CB-CD 4.18Å; M148-K151 HydrophobicContact CG-CD 4.41Å; M148-K151 WeakPolarHBondContact O-CA 3.41Å; M148-K151 VanDerWaalsContact O-CB 3.26Å; M148-K151 WeakPolarHBondContact O-CB 3.17Å; M148-K151 PolarHBondContact O-N 2.76Å; M148-E173 HydrophobicContact CB-CG 4.11Å; M148-E173 WeakPolarHBondContact CB-OE1 3.25Å; M148-E173 HydrophobicContact CG-CG 4.1Å; M148-E173 PolarHBondContact N-OE1 2.98Å; M148-E173 VanDerWaalsContact N-OE1 3.13Å; M148-E173 PolarHBondContact N-OE2 3.46Å; M148-E173 VanDerWaalsContact N-OE2 3.14Å; M148-E173 HydrophobicContact SD-CG 4.47Å; M148-V175 HydrophobicContact CB-CB 4.5Å; M148-V175 HydrophobicContact CB-CG1 4.02Å; M148-V175 HydrophobicContact CG-CG1 4.5Å; M148-V175 HydrophobicContact SD-CG1 3.75Å |
| 149 | I | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -56.9 | -32.1 | -178.7 | -172.7 | 56.8 | 0 | 0 | 0 | 113.5 | L133 K138 F141 Q142 S146 K151 L152 W158 | L133-I149 HydrophobicContact CD2-CD1 3.82Å; L133-I149 HydrophobicContact CD2-CG1 4.38Å; K138-I149 HydrophobicContact CB-CG1 4.29Å; K138-I149 HydrophobicContact CB-CG2 4.36Å; K138-I149 HydrophobicContact CG-CG1 3.97Å; F141-I149 HydrophobicContact CB-CB 4.31Å; F141-I149 HydrophobicContact CB-CG1 4.15Å; F141-I149 HydrophobicContact CB-CG2 4.34Å; F141-I149 HydrophobicContact CD2-CD1 4.01Å; F141-I149 HydrophobicContact CD2-CG1 4.05Å; F141-I149 HydrophobicContact CG-CG1 4.46Å; Q142-I149 HydrophobicContact CG-CG2 3.83Å; S146-I149 VanDerWaalsContact OG-CB 3.26Å; S146-I149 WeakPolarHBondContact OG-CB 3.44Å; S146-I149 PolarHBondContact OG-N 2.87Å; I149-K151 PolarHBondContact O-N 3.45Å; I149-L152 HydrophobicContact CD1-CB 4.49Å; I149-L152 HydrophobicContact CD1-CD2 4.17Å; I149-L152 WeakPolarHBondContact O-CB 3.42Å; I149-L152 PolarHBondContact O-N 3.44Å; I149-W158 HydrophobicContact CB-CZ2 4.28Å; I149-W158 HydrophobicContact CD1-CE3 4.18Å; I149-W158 HydrophobicContact CD1-CH2 3.56Å; I149-W158 HydrophobicContact CD1-CZ2 3.9Å; I149-W158 HydrophobicContact CD1-CZ3 3.69Å; I149-W158 HydrophobicContact CG1-CH2 4.47Å |
| 150 | D | 95.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -71.8 | -16.9 | 176.1 | -68.7 | -54.6 | 0 | 0 | 0 | 113.6 | K138 Q142 M148 | K138-D150 WeakPolarHBondContact CD-OD1 3.35Å; Q142-D150 PolarHBondContact NE2-OD2 3.07Å; M148-D150 PolarHBondContact O-N 3.04Å; M148-D150 VanDerWaalsContact O-N 3.13Å |
| 151 | K | 93.9 | Very high | 95.9 | Very high | 125 Ų | 125 | 34.6 Ų | 34.6 | 54% | 0.543 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -85.5 | -13.5 | 176.3 | -54.9 | 179.6 | -177.1 | 172.5 | 0 | 112.5 | M148 I149 N153 V175 | M148-K151 HydrophobicContact CB-CD 4.18Å; M148-K151 HydrophobicContact CG-CD 4.41Å; M148-K151 WeakPolarHBondContact O-CA 3.41Å; M148-K151 VanDerWaalsContact O-CB 3.26Å; M148-K151 WeakPolarHBondContact O-CB 3.17Å; M148-K151 PolarHBondContact O-N 2.76Å; I149-K151 PolarHBondContact O-N 3.45Å; K151-N153 PolarHBondContact O-N 3.37Å; K151-V175 HydrophobicContact CB-CG1 4.1Å; K151-V175 HydrophobicContact CD-CG1 4.19Å |
| 152 | L | 94 | Very high | 95.9 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | trans | -64.4 | 119.5 | 176.8 | 179.9 | 58.9 | 0 | 0 | 0 | 109.7 | T125 A129 L133 I149 W158 | T125-L152 HydrophobicContact CG2-CD1 4.17Å; T125-L152 HydrophobicContact CG2-CD2 4.03Å; A129-L152 HydrophobicContact CB-CD2 4.24Å; L133-L152 HydrophobicContact CD2-CD2 4.08Å; I149-L152 HydrophobicContact CD1-CB 4.49Å; I149-L152 HydrophobicContact CD1-CD2 4.17Å; I149-L152 WeakPolarHBondContact O-CB 3.42Å; I149-L152 PolarHBondContact O-N 3.44Å; L152-W158 HydrophobicContact CD1-CB 3.88Å; L152-W158 HydrophobicContact CD2-CE3 4.08Å | ||
| 153 | N | 92.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 35% | 0.348 | 16% | 0.164 | S | C | . | . | trans | -123.6 | 179.1 | -176.9 | 61.9 | 23.3 | 0 | 0 | 0 | 111.5 | S130 K151 R155 G156 S177 | S130-N153 VanDerWaalsContact CB-C 3.45Å; S130-N153 WeakPolarHBondContact CB-O 3.47Å; S130-N153 PolarHBondContact OG-O 2.83Å; K151-N153 PolarHBondContact O-N 3.37Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 VanDerWaalsContact O-N 3.16Å; N153-G156 PolarHBondContact O-N 3.15Å; N153-S177 VanDerWaalsContact ND2-CB 3.34Å; N153-S177 WeakPolarHBondContact ND2-CB 3.31Å | ||
| 154 | F | 92.2 | Very high | 95.8 | Very high | 100 Ų | 100 | 31.5 Ų | 31.5 | 44% | 0.439 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 121.8 | -179.3 | -179 | -114.3 | 0 | 0 | 0 | 111.2 | D128 S130 G156 Q178 | D128-F154 HydrophobicContact CB-CD2 4.26Å; D128-F154 HydrophobicContact CB-CE2 4.16Å; D128-F154 WeakPolarHBondContact OD1-CA 3.34Å; D128-F154 WeakPolarHBondContact OD1-CD2 3.49Å; S130-F154 WeakPolarHBondContact OG-CA 3.29Å; S130-F154 PolarHBondContact OG-N 3.4Å; F154-G156 PolarHBondContact O-N 3.19Å; F154-Q178 PolarHBondContact O-NE2 2.93Å |
| 155 | R | 91.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 22% | 0.219 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.3 | -176.3 | -61.6 | 176.3 | 170.4 | -173.8 | -3.3 | 114.9 | D127 D128 N153 K199 W200 A201 | D127-R155 VanDerWaalsContact O-CA 3.3Å; D127-R155 WeakPolarHBondContact O-CA 3.4Å; D127-R155 IonicContact OD1-NE 3.67Å; D128-R155 HydrophobicContact CB-CG 4.28Å; D128-R155 PolarHBondContact OD1-N 3.35Å; N153-R155 PolarHBondContact O-N 3.02Å; N153-R155 VanDerWaalsContact O-N 3.16Å; R155-K199 WeakPolarHBondContact CD-O 2.99Å; R155-K199 PolarHBondContact NH1-O 2.92Å; R155-W200 HydrophobicContact CB-CG 4.29Å; R155-W200 VanDerWaalsContact CZ-CZ2 3.43Å; R155-W200 VanDerWaalsContact NH1-CZ2 3.34Å; R155-A201 WeakPolarHBondContact O-CB 3.49Å; R155-A201 PolarHBondContact O-N 2.86Å |
| 156 | G | 92.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -73.8 | 140.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T125 N153 F154 C176 | T125-G156 PolarHBondContact OG1-O 2.77Å; N153-G156 PolarHBondContact O-N 3.15Å; F154-G156 PolarHBondContact O-N 3.19Å; G156-C176 WeakPolarHBondContact CA-O 3.17Å | ||
| 157 | S | 94.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.5 | 173.1 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | T125 V175 C176 P202 | T125-S157 WeakPolarHBondContact OG1-CA 3.12Å; S157-V175 CarbonylContact O-C 3.57Å; S157-V175 VanDerWaalsContact O-CA 3.31Å; S157-V175 WeakPolarHBondContact O-CA 3.16Å; S157-C176 PolarHBondContact N-O 3.46Å; S157-C176 PolarHBondContact O-N 2.9Å; S157-P202 WeakPolarHBondContact CB-O 3.44Å; S157-P202 PolarHBondContact OG-O 3.16Å |
| 158 | W | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 140.8 | -179.6 | 175.1 | 67.3 | 0 | 0 | 0 | 110.2 | L79 V123 T125 F141 I149 L152 F160 E173 D174 V175 | L79-W158 HydrophobicContact CD2-CE3 4.38Å; L79-W158 HydrophobicContact CD2-CZ3 4.13Å; V123-W158 HydrophobicContact CB-CH2 4.42Å; V123-W158 HydrophobicContact CB-CZ3 4.1Å; V123-W158 HydrophobicContact CG1-CE3 4.2Å; V123-W158 HydrophobicContact CG1-CH2 4.31Å; V123-W158 HydrophobicContact CG1-CZ3 3.58Å; T125-W158 HydrophobicContact CG2-CB 3.82Å; T125-W158 HydrophobicContact CG2-CE3 3.87Å; T125-W158 PolarHBondContact N-O 2.88Å; T125-W158 PolarHBondContact OG1-N 3.23Å; T125-W158 PolarHBondContact OG1-O 2.83Å; F141-W158 HydrophobicContact CD1-CH2 4.23Å; F141-W158 HydrophobicContact CD2-CH2 4.33Å; F141-W158 HydrophobicContact CE1-CH2 4.46Å; F141-W158 HydrophobicContact CG-CH2 4.19Å; I149-W158 HydrophobicContact CB-CZ2 4.28Å; I149-W158 HydrophobicContact CD1-CE3 4.18Å; I149-W158 HydrophobicContact CD1-CH2 3.56Å; I149-W158 HydrophobicContact CD1-CZ2 3.9Å; I149-W158 HydrophobicContact CD1-CZ3 3.69Å; I149-W158 HydrophobicContact CG1-CH2 4.47Å; L152-W158 HydrophobicContact CD1-CB 3.88Å; L152-W158 HydrophobicContact CD2-CE3 4.08Å; W158-F160 HydrophobicContact CD2-CB 4.38Å; W158-F160 HydrophobicContact CH2-CB 3.57Å; W158-F160 HydrophobicContact CH2-CD1 4.06Å; W158-F160 HydrophobicContact CH2-CG 4.05Å; W158-F160 HydrophobicContact CZ2-CB 3.14Å; W158-F160 HydrophobicContact CZ2-CD1 4.11Å; W158-F160 HydrophobicContact CZ2-CD2 4.41Å; W158-F160 AromaticContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ3-CB 4.36Å; W158-E173 PolarHBondContact NE1-OE1 2.75Å; W158-D174 WeakPolarHBondContact CA-O 3.34Å; W158-V175 HydrophobicContact CB-CG2 4.27Å |
| 159 | F | 98.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.1 | 163.1 | 82.4 | -93.9 | 0 | 0 | 0 | 109.5 | L48 V123 L124 I161 E173 D174 V204 A206 M208 | L48-F159 HydrophobicContact CD1-CB 3.67Å; L48-F159 HydrophobicContact CD1-CD1 3.71Å; L48-F159 HydrophobicContact CD1-CD2 4.04Å; L48-F159 HydrophobicContact CD1-CE1 4.33Å; L48-F159 HydrophobicContact CD1-CG 3.53Å; L48-F159 HydrophobicContact CD2-CB 3.93Å; L48-F159 HydrophobicContact CD2-CD2 3.67Å; L48-F159 HydrophobicContact CD2-CE2 4.42Å; L48-F159 HydrophobicContact CD2-CG 3.89Å; L48-F159 HydrophobicContact CG-CB 4.48Å; L48-F159 HydrophobicContact CG-CD2 4.47Å; L48-F159 HydrophobicContact CG-CG 4.38Å; V123-F159 CarbonylContact O-C 3.57Å; V123-F159 WeakPolarHBondContact O-CA 3.18Å; V123-F159 WeakPolarHBondContact O-CB 3.25Å; L124-F159 HydrophobicContact CD1-CB 3.87Å; F159-I161 HydrophobicContact CD2-CG1 4.46Å; F159-E173 WeakPolarHBondContact O-CA 3.16Å; F159-D174 HydrophobicContact CD1-CB 3.91Å; F159-D174 HydrophobicContact CE1-CB 3.32Å; F159-D174 HydrophobicContact CZ-CB 3.99Å; F159-D174 PolarHBondContact N-O 2.91Å; F159-D174 VanDerWaalsContact N-O 3.08Å; F159-D174 PolarHBondContact O-N 3.01Å; F159-V204 HydrophobicContact CB-CG2 4.13Å; F159-V204 HydrophobicContact CD1-CB 3.92Å; F159-V204 HydrophobicContact CD1-CG2 3.86Å; F159-A206 HydrophobicContact CE1-CB 3.98Å; F159-A206 HydrophobicContact CE2-CB 4.46Å; F159-A206 HydrophobicContact CZ-CB 3.86Å; F159-M208 HydrophobicContact CE2-CE 3.59Å; F159-M208 HydrophobicContact CZ-CE 3.66Å |
| 160 | F | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 133.8 | 177 | 167.3 | -111.9 | 0 | 0 | 0 | 110.5 | V121 I122 V123 F141 L144 G145 S146 W158 E173 | V121-F160 HydrophobicContact CG1-CE1 4.14Å; I122-F160 CarbonylContact C-O 3.47Å; I122-F160 WeakPolarHBondContact CA-O 3.3Å; V123-F160 HydrophobicContact CB-CB 4.42Å; V123-F160 HydrophobicContact CG2-CD1 4.16Å; V123-F160 PolarHBondContact N-O 2.74Å; V123-F160 PolarHBondContact O-N 2.89Å; F141-F160 HydrophobicContact CD1-CD1 4.07Å; F141-F160 HydrophobicContact CD1-CE1 4.05Å; L144-F160 HydrophobicContact CB-CE1 4.19Å; L144-F160 HydrophobicContact CB-CZ 4.23Å; G145-F160 VanDerWaalsContact C-CE2 3.49Å; S146-F160 VanDerWaalsContact CA-CE2 3.47Å; S146-F160 VanDerWaalsContact N-CE2 3.31Å; S146-F160 VanDerWaalsContact N-CZ 3.33Å; W158-F160 HydrophobicContact CD2-CB 4.38Å; W158-F160 HydrophobicContact CH2-CB 3.57Å; W158-F160 HydrophobicContact CH2-CD1 4.06Å; W158-F160 HydrophobicContact CH2-CG 4.05Å; W158-F160 HydrophobicContact CZ2-CB 3.14Å; W158-F160 HydrophobicContact CZ2-CD1 4.11Å; W158-F160 HydrophobicContact CZ2-CD2 4.41Å; W158-F160 AromaticContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ2-CG 3.67Å; W158-F160 HydrophobicContact CZ3-CB 4.36Å; F160-E173 HydrophobicContact CB-CG 4.35Å; F160-E173 HydrophobicContact CD2-CB 4.12Å; F160-E173 HydrophobicContact CD2-CG 4.1Å |
| 161 | I | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.8 | 171.1 | -50.5 | 174.4 | 0 | 0 | 0 | 107.8 | I46 L48 V121 I122 F159 S170 F172 M208 V210 | I46-I161 HydrophobicContact CB-CD1 4.23Å; I46-I161 HydrophobicContact CD1-CD1 3.93Å; I46-I161 HydrophobicContact CD1-CG2 4.29Å; I46-I161 HydrophobicContact CG2-CD1 3.79Å; L48-I161 HydrophobicContact CD2-CD1 4.28Å; V121-I161 CarbonylContact O-C 3.55Å; V121-I161 VanDerWaalsContact O-CA 3.26Å; V121-I161 WeakPolarHBondContact O-CA 3.02Å; I122-I161 HydrophobicContact CG1-CG1 4.31Å; I122-I161 HydrophobicContact CG1-CG2 4.09Å; I122-I161 HydrophobicContact CG2-CG1 4.18Å; F159-I161 HydrophobicContact CD2-CG1 4.46Å; I161-S170 VanDerWaalsContact O-CB 3.25Å; I161-S170 WeakPolarHBondContact O-CB 3.3Å; I161-S170 PolarHBondContact O-OG 3.4Å; I161-F172 HydrophobicContact CB-CB 3.8Å; I161-F172 HydrophobicContact CD1-CB 4.34Å; I161-F172 HydrophobicContact CG1-CB 4.31Å; I161-F172 PolarHBondContact N-O 3.05Å; I161-M208 HydrophobicContact CD1-SD 3.79Å; I161-V210 HydrophobicContact CD1-CG2 3.87Å; I161-V210 HydrophobicContact CG2-CG1 4.05Å; I161-V210 HydrophobicContact CG2-CG2 4.42Å |
| 162 | G | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 166.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V121 L144 | V121-G162 PolarHBondContact N-O 3.27Å; V121-G162 PolarHBondContact O-N 3.06Å; L144-G162 WeakPolarHBondContact O-CA 3.34Å |
| 163 | Q | 95.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -151.5 | 136.2 | 173.6 | 175.9 | 161.3 | 75.5 | 0 | 0 | 109.9 | T117 Q119 L120 L144 G165 I166 K213 | T117-Q163 VanDerWaalsContact O-CD 3.31Å; T117-Q163 PolarHBondContact O-NE2 2.75Å; T117-Q163 VanDerWaalsContact O-NE2 3.11Å; Q119-Q163 WeakPolarHBondContact O-CG 3.35Å; Q119-Q163 PolarHBondContact O-NE2 3.02Å; Q119-Q163 VanDerWaalsContact O-NE2 3.14Å; L120-Q163 HydrophobicContact CD2-CB 3.86Å; L120-Q163 HydrophobicContact CD2-CG 4.36Å; L144-Q163 PolarHBondContact O-N 3.18Å; L144-Q163 VanDerWaalsContact O-N 3.14Å; Q163-G165 PolarHBondContact O-N 2.94Å; Q163-I166 HydrophobicContact CB-CG2 3.81Å; Q163-I166 HydrophobicContact CG-CG2 4.26Å; Q163-I166 WeakPolarHBondContact O-CG2 3.38Å; Q163-I166 PolarHBondContact O-N 2.94Å; Q163-K213 VanDerWaalsContact OE1-N 3.15Å | ||
| 164 | K | 94.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 134.5 | 175.8 | -167.8 | 171.7 | -173.6 | 167.2 | 0 | 110.6 | S113 L115 T117 L144 | S113-K164 PolarHBondContact O-NZ 3.33Å; L115-K164 WeakPolarHBondContact O-CD 3.38Å; L115-K164 PolarHBondContact O-NZ 3.26Å; L115-K164 VanDerWaalsContact O-NZ 3.13Å; T117-K164 HydrophobicContact CG2-CB 4.44Å; T117-K164 HydrophobicContact CG2-CG 4.43Å; L144-K164 HydrophobicContact CD2-CB 3.98Å |
| 165 | G | 91.8 | Very high | 95.2 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 16.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q163 K213 | Q163-G165 PolarHBondContact O-N 2.94Å; G165-K213 PolarHBondContact O-NZ 3.36Å |
| 166 | I | 91.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | trans | -66.9 | 159.4 | 163.1 | 67.4 | 169.7 | 0 | 0 | 0 | 110.8 | Q163 | Q163-I166 HydrophobicContact CB-CG2 3.81Å; Q163-I166 HydrophobicContact CG-CG2 4.26Å; Q163-I166 WeakPolarHBondContact O-CG2 3.38Å; Q163-I166 PolarHBondContact O-N 2.94Å | ||
| 167 | K | 89.8 | Confident | 94.9 | Very high | 200 Ų | 200 | 43.1 Ų | 43.1 | 87% | 0.87 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -96.7 | 120.1 | 174.2 | -69.3 | -173.7 | 177.6 | -174.1 | 0 | 107.8 | ||
| 168 | G | 93.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 75.2 | -151 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 169 | F | 96.8 | Very high | 92.9 | Very high | 139 Ų | 139 | 52.7 Ų | 52.7 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | trans | -92.4 | 151.7 | -176.3 | -56.3 | -62.7 | 0 | 0 | 0 | 112.1 | G145 | G145-F169 CarbonylContact O-C 3.57Å; G145-F169 VanDerWaalsContact O-CA 3.28Å; G145-F169 WeakPolarHBondContact O-CA 3.06Å | ||
| 170 | S | 96.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | trans | -70.7 | 133.6 | 171.4 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | G145 I161 F172 | G145-S170 PolarHBondContact O-N 2.88Å; I161-S170 VanDerWaalsContact O-CB 3.25Å; I161-S170 WeakPolarHBondContact O-CB 3.3Å; I161-S170 PolarHBondContact O-OG 3.4Å; S170-F172 PolarHBondContact O-N 3.18Å; S170-F172 PolarHBondContact OG-N 3.02Å | ||
| 171 | P | 95.8 | Very high | 88.8 | Confident | 105 Ų | 105 | 58.5 Ų | 58.5 | 68% | 0.682 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -75.7 | -5.1 | 170.9 | 33.6 | -35.8 | 0 | 0 | 0 | 112.5 | E173 | P171-E173 PolarHBondContact O-N 2.8Š|
| 172 | F | 97.5 | Very high | 86.4 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | -98.9 | 63.7 | -176 | -51.8 | -61.9 | 0 | 0 | 0 | 110.4 | I161 S170 M208 V210 P211 | I161-F172 HydrophobicContact CB-CB 3.8Å; I161-F172 HydrophobicContact CD1-CB 4.34Å; I161-F172 HydrophobicContact CG1-CB 4.31Å; I161-F172 PolarHBondContact N-O 3.05Å; S170-F172 PolarHBondContact O-N 3.18Å; S170-F172 PolarHBondContact OG-N 3.02Å; F172-M208 HydrophobicContact CB-SD 3.83Å; F172-M208 HydrophobicContact CD1-CE 4.35Å; F172-M208 HydrophobicContact CD1-CG 4.5Å; F172-M208 HydrophobicContact CD1-SD 3.22Å; F172-M208 WeakPolarHBondContact CD1-SD 3.13Å; F172-M208 HydrophobicContact CE1-SD 4.03Å; F172-M208 HydrophobicContact CG-SD 3.79Å; F172-V210 HydrophobicContact CD1-CG2 4.28Å; F172-V210 HydrophobicContact CD2-CG1 3.93Å; F172-V210 HydrophobicContact CD2-CG2 4.35Å; F172-V210 HydrophobicContact CE1-CG2 4.39Å; F172-V210 HydrophobicContact CE2-CB 4.49Å; F172-V210 HydrophobicContact CE2-CG1 3.86Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-V210 HydrophobicContact CZ-CG1 4.45Å; F172-P211 HydrophobicContact CE2-CG 4.18Å; F172-P211 HydrophobicContact CZ-CG 4.17Å | ||
| 173 | E | 97.9 | Very high | 84.1 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 135.9 | -176.9 | -172.2 | 174.5 | -152.4 | 0 | 0 | 110 | S146 S147 M148 W158 F159 F160 P171 | S146-E173 WeakPolarHBondContact CB-OE1 3.44Å; S146-E173 PolarHBondContact OG-OE1 3.28Å; S147-E173 PolarHBondContact N-OE2 2.92Å; S147-E173 PolarHBondContact OG-OE2 2.8Å; M148-E173 HydrophobicContact CB-CG 4.11Å; M148-E173 WeakPolarHBondContact CB-OE1 3.25Å; M148-E173 HydrophobicContact CG-CG 4.1Å; M148-E173 PolarHBondContact N-OE1 2.98Å; M148-E173 VanDerWaalsContact N-OE1 3.13Å; M148-E173 PolarHBondContact N-OE2 3.46Å; M148-E173 VanDerWaalsContact N-OE2 3.14Å; M148-E173 HydrophobicContact SD-CG 4.47Å; W158-E173 PolarHBondContact NE1-OE1 2.75Å; F159-E173 WeakPolarHBondContact O-CA 3.16Å; F160-E173 HydrophobicContact CB-CG 4.35Å; F160-E173 HydrophobicContact CD2-CB 4.12Å; F160-E173 HydrophobicContact CD2-CG 4.1Å; P171-E173 PolarHBondContact O-N 2.8Å |
| 174 | D | 96 | Very high | 81.9 | Confident | 57 Ų | 57 | 78 Ų | 78 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 147.4 | 170 | -163.3 | 10.1 | 0 | 0 | 0 | 110.5 | W158 F159 V204 | W158-D174 WeakPolarHBondContact CA-O 3.34Å; F159-D174 HydrophobicContact CD1-CB 3.91Å; F159-D174 HydrophobicContact CE1-CB 3.32Å; F159-D174 HydrophobicContact CZ-CB 3.99Å; F159-D174 PolarHBondContact N-O 2.91Å; F159-D174 VanDerWaalsContact N-O 3.08Å; F159-D174 PolarHBondContact O-N 3.01Å; D174-V204 HydrophobicContact CB-CG1 4.5Å |
| 175 | V | 94 | Very high | 79.7 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 17% | 0.17 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.6 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | M148 K151 S157 W158 | M148-V175 HydrophobicContact CB-CB 4.5Å; M148-V175 HydrophobicContact CB-CG1 4.02Å; M148-V175 HydrophobicContact CG-CG1 4.5Å; M148-V175 HydrophobicContact SD-CG1 3.75Å; K151-V175 HydrophobicContact CB-CG1 4.1Å; K151-V175 HydrophobicContact CD-CG1 4.19Å; S157-V175 CarbonylContact O-C 3.57Å; S157-V175 VanDerWaalsContact O-CA 3.31Å; S157-V175 WeakPolarHBondContact O-CA 3.16Å; W158-V175 HydrophobicContact CB-CG2 4.27Å |
| 176 | C | 91.3 | Very high | 77.5 | Confident | 13 Ų | 13 | 81 Ų | 81 | 9% | 0.088 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.1 | 165 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | G156 S157 C180 C188 A201 V204 | G156-C176 WeakPolarHBondContact CA-O 3.17Å; S157-C176 PolarHBondContact N-O 3.46Å; S157-C176 PolarHBondContact O-N 2.9Å; C176-C180 VanDerWaalsContact SG-SG 3.66Å; C176-C188 WeakPolarHBondContact CB-SG 3.07Å; C176-C188 WeakPolarHBondContact SG-CB 3.4Å; C176-C188 CovalentContact SG-SG 2.07Å; C176-C188 PolarHBondContact SG-SG 3.36Å; C176-A201 HydrophobicContact CB-CB 4.49Å; C176-A201 WeakPolarHBondContact O-CB 3.48Å; C176-V204 HydrophobicContact CB-CG1 4.47Å |
| 177 | S | 87.4 | Confident | 75.7 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 21% | 0.21 | 47% | 0.466 | C | S | . | . | trans | -109.9 | 164.8 | 177.6 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | N153 M179 | N153-S177 VanDerWaalsContact ND2-CB 3.34Å; N153-S177 WeakPolarHBondContact ND2-CB 3.31Å; S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 2.82Å; S177-M179 PolarHBondContact OG-O 3.21Å | ||
| 178 | Q | 80.3 | Confident | 74 | Confident | 58 Ų | 58 | 79.1 Ų | 79.1 | 27% | 0.271 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -55.3 | -47 | 175.9 | -68.5 | 175 | 63.7 | 0 | 0 | 112 | F154 R193 M198 K199 | F154-Q178 PolarHBondContact O-NE2 2.93Å; Q178-R193 PolarHBondContact O-NH2 3.03Å; Q178-M198 PolarHBondContact OE1-O 3.08Å; Q178-K199 VanDerWaalsContact CD-O 3.3Å; Q178-K199 PolarHBondContact OE1-O 3.38Å |
| 179 | M | 69.5 | Low | 72.1 | Confident | 153 Ų | 153 | 84.3 Ų | 84.3 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -95.6 | 116.6 | 175.2 | -65.7 | 167.5 | 89.4 | 0 | 0 | 108.5 | S177 P181 | S177-M179 VanDerWaalsContact C-N 3.31Å; S177-M179 PolarHBondContact O-N 2.82Å; S177-M179 PolarHBondContact OG-O 3.21Å; M179-P181 WeakPolarHBondContact O-CD 3.36Å |
| 180 | C | 59.1 | Low | 70.1 | Confident | 18 Ų | 18 | 81 Ų | 81 | 12% | 0.122 | 43% | 0.425 | C | S | . | . | trans | -88.5 | 110.1 | 166 | -63.6 | 0 | 0 | 0 | 0 | 106.6 | C176 N182 C188 | C176-C180 VanDerWaalsContact SG-SG 3.66Å; C180-N182 PolarHBondContact O-N 2.95Å; C180-N182 VanDerWaalsContact O-N 3.09Å; C180-C188 WeakPolarHBondContact SG-CB 3.39Å | ||
| 181 | P | 51.1 | Low | 68.2 | Low | 113 Ų | 113 | 87.2 Ų | 87.2 | 73% | 0.734 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -67.8 | -12.7 | -172.5 | -19.5 | 32.2 | 0 | 0 | 0 | 113.6 | M179 | M179-P181 WeakPolarHBondContact O-CD 3.36Š|
| 182 | N | 47 | Very low | 66.7 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | trans | -133.5 | 110.5 | -169.9 | -62.8 | -57 | 0 | 0 | 0 | 111.6 | C180 H184 S185 | C180-N182 PolarHBondContact O-N 2.95Å; C180-N182 VanDerWaalsContact O-N 3.09Å; N182-H184 PolarHBondContact O-N 2.07Å; N182-S185 PolarHBondContact O-N 2.75Å; N182-S185 VanDerWaalsContact O-N 3.13Å; N182-S185 PolarHBondContact O-OG 3.39Å | ||
| 183 | I | 48.8 | Very low | 65.3 | Low | 149 Ų | 149 | 91 Ų | 91 | 76% | 0.764 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.1 | 166.8 | -69.5 | 166 | 0 | 0 | 0 | 111.7 | ||
| 184 | H | 49.9 | Very low | 63.9 | Low | 174 Ų | 174 | 93.2 Ų | 93.2 | 81% | 0.806 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.5 | 179 | -67.3 | -79.3 | 0 | 0 | 0 | 115.4 | N182 N186 | N182-H184 PolarHBondContact O-N 2.07Å; H184-N186 PolarHBondContact O-N 2.81Å |
| 185 | S | 48.1 | Very low | 62.9 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -89.5 | 96.2 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | N182 F187 | N182-S185 PolarHBondContact O-N 2.75Å; N182-S185 VanDerWaalsContact O-N 3.13Å; N182-S185 PolarHBondContact O-OG 3.39Å; S185-F187 PolarHBondContact O-N 3.09Å | ||
| 186 | N | 46.3 | Very low | 62.1 | Low | 128 Ų | 128 | 97.5 Ų | 97.5 | 68% | 0.684 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 7.2 | -175.9 | -71.1 | -23.1 | 0 | 0 | 0 | 115.9 | H184 F189 | H184-N186 PolarHBondContact O-N 2.81Å; N186-F189 WeakPolarHBondContact O-CE2 3.35Å |
| 187 | F | 53 | Low | 61.1 | Low | 185 Ų | 185 | 100 Ų | 100 | 81% | 0.811 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -17.7 | -168.9 | -125.2 | -95.5 | 0 | 0 | 0 | 115.7 | S185 | S185-F187 PolarHBondContact O-N 3.09Š|
| 188 | C | 54.8 | Low | 60.6 | Low | 24 Ų | 24 | 102.6 Ų | 102.6 | 16% | 0.162 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -121.5 | 77.7 | 177.1 | -143.1 | 0 | 0 | 0 | 0 | 108.5 | C176 C180 Q190 P202 | C176-C188 WeakPolarHBondContact CB-SG 3.07Å; C176-C188 WeakPolarHBondContact SG-CB 3.4Å; C176-C188 CovalentContact SG-SG 2.07Å; C176-C188 PolarHBondContact SG-SG 3.36Å; C180-C188 WeakPolarHBondContact SG-CB 3.39Å; C188-Q190 PolarHBondContact O-N 3.15Å; C188-Q190 VanDerWaalsContact O-N 3.07Å; C188-P202 VanDerWaalsContact SG-CB 3.56Å; C188-P202 WeakPolarHBondContact SG-CG 3.26Å |
| 189 | F | 51.9 | Low | 60.9 | Low | 167 Ų | 167 | 103.8 Ų | 103.8 | 73% | 0.732 | 53% | 0.533 | S | S | * | . | trans | -53 | 112.2 | -176.6 | -88.7 | -88.1 | 0 | 0 | 0 | 111.3 | N186 | N186-F189 WeakPolarHBondContact O-CE2 3.35Š| ||
| 190 | Q | 56.3 | Low | 61.8 | Low | 70 Ų | 70 | 97.7 Ų | 97.7 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | trans | -95.4 | -19.4 | -173.6 | -167.3 | 158.6 | 0.7 | 0 | 0 | 113.7 | C188 H192 | C188-Q190 PolarHBondContact O-N 3.15Å; C188-Q190 VanDerWaalsContact O-N 3.07Å; Q190-H192 VanDerWaalsContact C-N 3.34Å; Q190-H192 PolarHBondContact O-N 3.13Å; Q190-H192 VanDerWaalsContact O-N 3.16Å | ||
| 191 | L | 56.9 | Low | 63.3 | Low | 142 Ų | 142 | 97 Ų | 97 | 74% | 0.743 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.7 | -156 | -64.7 | 175.5 | 0 | 0 | 0 | 116.5 | ||
| 192 | H | 63 | Low | 65.1 | Low | 180 Ų | 180 | 92.4 Ų | 92.4 | 83% | 0.833 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 30.1 | -175 | -62 | -60.1 | 0 | 0 | 0 | 114.2 | Q190 | Q190-H192 VanDerWaalsContact C-N 3.34Å; Q190-H192 PolarHBondContact O-N 3.13Å; Q190-H192 VanDerWaalsContact O-N 3.16Å |
| 193 | R | 69.1 | Low | 67.3 | Low | 45 Ų | 45 | 89.6 Ų | 89.6 | 17% | 0.17 | 46% | 0.455 | C | S | . | . | trans | -105 | 133.7 | 179.6 | -64.5 | -163.6 | -57.7 | 155.2 | -0.6 | 112.1 | Q178 E197 M198 W200 P202 | Q178-R193 PolarHBondContact O-NH2 3.03Å; R193-E197 WeakPolarHBondContact CA-OE2 3.33Å; R193-E197 HydrophobicContact CB-CB 3.84Å; R193-E197 HydrophobicContact CG-CB 4.3Å; R193-E197 PolarHBondContact NH1-O 3.48Å; R193-E197 VanDerWaalsContact NH1-O 3.08Å; R193-M198 HydrophobicContact CB-CG 4.26Å; R193-W200 PolarHBondContact NH1-O 3.14Å; R193-P202 VanDerWaalsContact CZ-CG 3.49Å; R193-P202 VanDerWaalsContact NH1-CD 3.32Å | ||
| 194 | S | 67.5 | Low | 69.4 | Low | 60 Ų | 60 | 82.7 Ų | 82.7 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | trans | -64.2 | 161.9 | 170 | 60.9 | 0 | 0 | 0 | 0 | 112 | E196 E197 M198 | S194-E196 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.37Å; S194-E197 WeakPolarHBondContact O-CB 3.44Å; S194-E197 PolarHBondContact O-N 2.77Å; S194-E197 VanDerWaalsContact O-N 3.08Å; S194-E197 WeakPolarHBondContact OG-CB 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.45Å; S194-E197 PolarHBondContact OG-N 2.8Å; S194-E197 PolarHBondContact OG-OE2 3.19Å; S194-M198 WeakPolarHBondContact O-CG 3.34Å; S194-M198 PolarHBondContact O-N 2.78Å | ||
| 195 | A | 75.3 | Confident | 71.5 | Confident | 72 Ų | 72 | 78 Ų | 78 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | M198 | A195-M198 HydrophobicContact CB-CE 4.33Å; A195-M198 PolarHBondContact O-N 3.47Å |
| 196 | E | 77.1 | Confident | 73.7 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -43.6 | 173.9 | -70.6 | -60.4 | 134.6 | 0 | 0 | 111.8 | S194 M198 K199 W200 | S194-E196 PolarHBondContact O-N 3.38Å; E196-M198 VanDerWaalsContact C-N 3.25Å; E196-M198 PolarHBondContact O-N 3.18Å; E196-K199 WeakPolarHBondContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CG 3.33Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-K199 WeakPolarHBondContact OE1-CE 3.33Å; E196-K199 IonicContact OE1-NZ 3.32Å; E196-K199 PolarHBondContact OE1-NZ 3.34Å; E196-K199 VanDerWaalsContact OE2-CE 3.32Å; E196-K199 WeakPolarHBondContact OE2-CE 3.36Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 3.02Å; E196-W200 WeakPolarHBondContact O-CZ3 3.35Å |
| 197 | E | 71.8 | Confident | 76 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -64.4 | -28.4 | 176.1 | -79.4 | 167.4 | 133 | 0 | 0 | 113.5 | R193 S194 K199 W200 | R193-E197 WeakPolarHBondContact CA-OE2 3.33Å; R193-E197 HydrophobicContact CB-CB 3.84Å; R193-E197 HydrophobicContact CG-CB 4.3Å; R193-E197 PolarHBondContact NH1-O 3.48Å; R193-E197 VanDerWaalsContact NH1-O 3.08Å; S194-E197 WeakPolarHBondContact CB-OE2 3.48Å; S194-E197 PolarHBondContact N-OE2 3.37Å; S194-E197 WeakPolarHBondContact O-CB 3.44Å; S194-E197 PolarHBondContact O-N 2.77Å; S194-E197 VanDerWaalsContact O-N 3.08Å; S194-E197 WeakPolarHBondContact OG-CB 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.45Å; S194-E197 PolarHBondContact OG-N 2.8Å; S194-E197 PolarHBondContact OG-OE2 3.19Å; E197-K199 PolarHBondContact O-N 3.32Å; E197-W200 PolarHBondContact O-N 3.07Å; E197-W200 VanDerWaalsContact O-O 3.05Å |
| 198 | M | 76.9 | Confident | 78 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 41% | 0.414 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -70.7 | -14 | 176.8 | -72.5 | -169 | -78.1 | 0 | 0 | 113.3 | Q178 R193 S194 A195 E196 W200 | Q178-M198 PolarHBondContact OE1-O 3.08Å; R193-M198 HydrophobicContact CB-CG 4.26Å; S194-M198 WeakPolarHBondContact O-CG 3.34Å; S194-M198 PolarHBondContact O-N 2.78Å; A195-M198 HydrophobicContact CB-CE 4.33Å; A195-M198 PolarHBondContact O-N 3.47Å; E196-M198 VanDerWaalsContact C-N 3.25Å; E196-M198 PolarHBondContact O-N 3.18Å; M198-W200 PolarHBondContact O-N 2.68Å |
| 199 | K | 85.7 | Confident | 79.9 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -71.8 | -11.4 | 174.8 | -58.8 | 178 | -179.1 | 169.5 | 0 | 113.5 | R155 Q178 E196 E197 | R155-K199 WeakPolarHBondContact CD-O 2.99Å; R155-K199 PolarHBondContact NH1-O 2.92Å; Q178-K199 VanDerWaalsContact CD-O 3.3Å; Q178-K199 PolarHBondContact OE1-O 3.38Å; E196-K199 WeakPolarHBondContact O-CB 3.29Å; E196-K199 WeakPolarHBondContact O-CG 3.33Å; E196-K199 PolarHBondContact O-N 3.34Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-K199 WeakPolarHBondContact OE1-CE 3.33Å; E196-K199 IonicContact OE1-NZ 3.32Å; E196-K199 PolarHBondContact OE1-NZ 3.34Å; E196-K199 VanDerWaalsContact OE2-CE 3.32Å; E196-K199 WeakPolarHBondContact OE2-CE 3.36Å; E196-K199 IonicContact OE2-NZ 2.66Å; E196-K199 PolarHBondContact OE2-NZ 3.02Å; E197-K199 PolarHBondContact O-N 3.32Å |
| 200 | W | 88.8 | Confident | 82 | Confident | 25 Ų | 25 | 59 Ų | 59 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -123.7 | 152.7 | 172.9 | -67.1 | -98.4 | 0 | 0 | 0 | 109.7 | Q53 D127 R155 R193 E196 E197 M198 | Q53-W200 HydrophobicContact CB-CD2 3.65Å; Q53-W200 HydrophobicContact CB-CE3 3.8Å; Q53-W200 HydrophobicContact CB-CG 3.99Å; Q53-W200 HydrophobicContact CB-CZ2 4.43Å; Q53-W200 HydrophobicContact CB-CZ3 4.25Å; Q53-W200 HydrophobicContact CG-CB 4.2Å; Q53-W200 HydrophobicContact CG-CD2 3.77Å; Q53-W200 HydrophobicContact CG-CE3 3.53Å; Q53-W200 HydrophobicContact CG-CG 4.07Å; Q53-W200 HydrophobicContact CG-CZ3 4.16Å; D127-W200 PolarHBondContact OD1-NE1 3.32Å; R155-W200 HydrophobicContact CB-CG 4.29Å; R155-W200 VanDerWaalsContact CZ-CZ2 3.43Å; R155-W200 VanDerWaalsContact NH1-CZ2 3.34Å; R193-W200 PolarHBondContact NH1-O 3.14Å; E196-W200 WeakPolarHBondContact O-CZ3 3.35Å; E197-W200 PolarHBondContact O-N 3.07Å; E197-W200 VanDerWaalsContact O-O 3.05Å; M198-W200 PolarHBondContact O-N 2.68Å |
| 201 | A | 89.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 151.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | R155 C176 | R155-A201 WeakPolarHBondContact O-CB 3.49Å; R155-A201 PolarHBondContact O-N 2.86Å; C176-A201 HydrophobicContact CB-CB 4.49Å; C176-A201 WeakPolarHBondContact O-CB 3.48Å |
| 202 | P | 89.9 | Confident | 85.2 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 151.2 | 164.5 | -26.7 | 38.4 | 0 | 0 | 0 | 111.2 | S157 C188 R193 V204 | S157-P202 WeakPolarHBondContact CB-O 3.44Å; S157-P202 PolarHBondContact OG-O 3.16Å; C188-P202 VanDerWaalsContact SG-CB 3.56Å; C188-P202 WeakPolarHBondContact SG-CG 3.26Å; R193-P202 VanDerWaalsContact CZ-CG 3.49Å; R193-P202 VanDerWaalsContact NH1-CD 3.32Å; P202-V204 PolarHBondContact O-N 3.02Å |
| 203 | P | 92.5 | Very high | 86 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 25% | 0.253 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 135 | 177.7 | 27 | -34.8 | 0 | 0 | 0 | 110.6 | Y49 S50 G51 K52 | Y49-P203 HydrophobicContact CD2-CB 4.21Å; Y49-P203 HydrophobicContact CE2-CB 3.53Å; Y49-P203 HydrophobicContact CE2-CG 3.73Å; S50-P203 VanDerWaalsContact OG-CA 3.25Å; S50-P203 WeakPolarHBondContact OG-CA 3.35Å; G51-P203 WeakPolarHBondContact O-CB 3.38Å; K52-P203 HydrophobicContact CG-CG 3.89Å |
| 204 | V | 93.7 | Very high | 86 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 140 | 158.5 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | S50 L124 F159 D174 C176 P202 | S50-V204 PolarHBondContact N-O 3.25Å; S50-V204 WeakPolarHBondContact OG-CG2 3.46Å; S50-V204 PolarHBondContact OG-N 3.41Å; S50-V204 PolarHBondContact OG-O 3.08Å; L124-V204 HydrophobicContact CD1-CG2 4.25Å; F159-V204 HydrophobicContact CB-CG2 4.13Å; F159-V204 HydrophobicContact CD1-CB 3.92Å; F159-V204 HydrophobicContact CD1-CG2 3.86Å; D174-V204 HydrophobicContact CB-CG1 4.5Å; C176-V204 HydrophobicContact CB-CG1 4.47Å; P202-V204 PolarHBondContact O-N 3.02Å |
| 205 | S | 93.7 | Very high | 85.9 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138.7 | 179.9 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | L48 | L48-S205 WeakPolarHBondContact O-CA 3.38Å; L48-S205 PolarHBondContact O-OG 3.44Å |
| 206 | A | 94.4 | Very high | 85.3 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 151.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S47 L48 F159 M208 | S47-A206 CarbonylContact C-O 3.6Å; S47-A206 WeakPolarHBondContact CA-O 3.49Å; L48-A206 HydrophobicContact CD1-CB 4.07Å; L48-A206 HydrophobicContact CG-CB 4.41Å; L48-A206 PolarHBondContact N-O 3.34Å; L48-A206 PolarHBondContact O-N 2.87Å; F159-A206 HydrophobicContact CE1-CB 3.98Å; F159-A206 HydrophobicContact CE2-CB 4.46Å; F159-A206 HydrophobicContact CZ-CB 3.86Å; A206-M208 HydrophobicContact CB-CE 3.35Å |
| 207 | K | 94 | Very high | 83.9 | Confident | 80 Ų | 80 | 75 Ų | 75 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 122.4 | 166.9 | 174.7 | 174.5 | -90.7 | -169.8 | 0 | 107.6 | C33 A35 M37 L45 I46 | C33-K207 WeakPolarHBondContact O-CE 3.49Å; C33-K207 PolarHBondContact O-NZ 3.27Å; A35-K207 PolarHBondContact O-NZ 2.75Å; M37-K207 HydrophobicContact CB-CD 4.48Å; M37-K207 HydrophobicContact SD-CG 4.24Å; L45-K207 HydrophobicContact CD1-CG 4.04Å; I46-K207 WeakPolarHBondContact O-CA 3.4Å |
| 208 | M | 94.6 | Very high | 84.5 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 154 | -169 | 60.2 | 179.7 | 78.3 | 0 | 0 | 113 | I46 F159 I161 F172 A206 V210 | I46-M208 PolarHBondContact N-O 3.44Å; I46-M208 PolarHBondContact O-N 2.78Å; F159-M208 HydrophobicContact CE2-CE 3.59Å; F159-M208 HydrophobicContact CZ-CE 3.66Å; I161-M208 HydrophobicContact CD1-SD 3.79Å; F172-M208 HydrophobicContact CB-SD 3.83Å; F172-M208 HydrophobicContact CD1-CE 4.35Å; F172-M208 HydrophobicContact CD1-CG 4.5Å; F172-M208 HydrophobicContact CD1-SD 3.22Å; F172-M208 WeakPolarHBondContact CD1-SD 3.13Å; F172-M208 HydrophobicContact CE1-SD 4.03Å; F172-M208 HydrophobicContact CG-SD 3.79Å; A206-M208 HydrophobicContact CB-CE 3.35Å; M208-V210 HydrophobicContact CG-CG2 3.78Å; M208-V210 HydrophobicContact SD-CG2 3.78Å |
| 209 | C | 95.1 | Very high | 84.9 | Confident | 34 Ų | 34 | 75 Ų | 75 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.4 | 169.5 | -67.8 | 0 | 0 | 0 | 0 | 110 | C39 K43 I44 | C39-C209 WeakPolarHBondContact CA-SG 3.29Å; C39-C209 HydrophobicContact CB-CB 3.77Å; C39-C209 WeakPolarHBondContact CB-SG 3Å; C39-C209 VanDerWaalsContact SG-CA 3.51Å; C39-C209 WeakPolarHBondContact SG-CB 3.4Å; C39-C209 CovalentContact SG-SG 2.03Å; C39-C209 PolarHBondContact SG-SG 3.14Å; K43-C209 HydrophobicContact CB-CB 3.99Å; K43-C209 HydrophobicContact CD-CB 3.94Å; I44-C209 WeakPolarHBondContact O-CA 3.42Å |
| 210 | V | 95.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.2 | -176.4 | -180 | 0 | 0 | 0 | 0 | 110.5 | K43 I44 I46 L120 I161 F172 M208 | K43-V210 CarbonylContact C-O 3.58Å; K43-V210 VanDerWaalsContact CA-O 3.25Å; K43-V210 WeakPolarHBondContact CA-O 3.37Å; I44-V210 HydrophobicContact CG2-CB 4.2Å; I44-V210 PolarHBondContact N-O 2.72Å; I44-V210 PolarHBondContact O-N 2.86Å; I46-V210 HydrophobicContact CB-CG2 4.47Å; I46-V210 HydrophobicContact CD1-CB 4.09Å; I46-V210 HydrophobicContact CD1-CG2 3.8Å; I46-V210 HydrophobicContact CG1-CG2 4.46Å; L120-V210 HydrophobicContact CD1-CG1 4.01Å; I161-V210 HydrophobicContact CD1-CG2 3.87Å; I161-V210 HydrophobicContact CG2-CG1 4.05Å; I161-V210 HydrophobicContact CG2-CG2 4.42Å; F172-V210 HydrophobicContact CD1-CG2 4.28Å; F172-V210 HydrophobicContact CD2-CG1 3.93Å; F172-V210 HydrophobicContact CD2-CG2 4.35Å; F172-V210 HydrophobicContact CE1-CG2 4.39Å; F172-V210 HydrophobicContact CE2-CB 4.49Å; F172-V210 HydrophobicContact CE2-CG1 3.86Å; F172-V210 HydrophobicContact CG-CG2 4.24Å; F172-V210 HydrophobicContact CZ-CG1 4.45Å; M208-V210 HydrophobicContact CG-CG2 3.78Å; M208-V210 HydrophobicContact SD-CG2 3.78Å |
| 211 | P | 93.7 | Very high | 84.6 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 149.4 | 173.6 | 31.6 | -33.9 | 0 | 0 | 0 | 111 | K42 K43 F172 | K42-P211 WeakPolarHBondContact O-CA 3.41Å; K43-P211 HydrophobicContact CG-CB 4.13Å; F172-P211 HydrophobicContact CE2-CG 4.18Å; F172-P211 HydrophobicContact CZ-CG 4.17Å |
| 212 | Y | 88.3 | Confident | 84.2 | Confident | 32 Ų | 32 | 82.1 Ų | 82.1 | 13% | 0.125 | 38% | 0.383 | C | S | . | . | trans | -130.9 | 147.1 | 176.3 | 57.9 | -91.7 | 0 | 0 | 0 | 112.2 | K42 P86 L87 R214 | K42-Y212 WeakPolarHBondContact O-CD1 3.44Å; K42-Y212 VanDerWaalsContact O-CE1 3.31Å; K42-Y212 WeakPolarHBondContact O-CE1 3.32Å; K42-Y212 PolarHBondContact O-N 2.76Å; P86-Y212 HydrophobicContact CB-CD1 3.52Å; P86-Y212 HydrophobicContact CB-CD2 4.08Å; P86-Y212 HydrophobicContact CB-CE1 3.98Å; P86-Y212 HydrophobicContact CB-CG 3.55Å; P86-Y212 HydrophobicContact CG-CD1 3.94Å; P86-Y212 HydrophobicContact CG-CD2 3.63Å; P86-Y212 HydrophobicContact CG-CE2 4.34Å; P86-Y212 HydrophobicContact CG-CG 3.39Å; L87-Y212 HydrophobicContact CB-CE2 4.21Å; L87-Y212 HydrophobicContact CD1-CE2 4.28Å; Y212-R214 HydrophobicContact CE2-CG 4.47Å | ||
| 213 | K | 78.7 | Confident | 83.9 | Confident | 95 Ų | 95 | 86.4 Ų | 86.4 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 138 | 174.9 | -66.7 | -174.8 | 179.7 | -175.5 | 0 | 110.7 | Q163 G165 | Q163-K213 VanDerWaalsContact OE1-N 3.15Å; G165-K213 PolarHBondContact O-NZ 3.36Å |
| 214 | R | 69.1 | Low | 83.3 | Confident | 144 Ų | 144 | 89.8 Ų | 89.8 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 150.3 | 163.8 | -72.2 | -173.7 | 175.5 | 172.5 | -1.8 | 109.6 | Y212 R216 | Y212-R214 HydrophobicContact CE2-CG 4.47Å; R214-R216 PolarHBondContact O-N 3.16Å |
| 215 | K | 66 | Low | 82.5 | Confident | 151 Ų | 151 | 96.4 Ų | 96.4 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 123.6 | 162 | -165.9 | 172.4 | -175.2 | 176.6 | 0 | 108.5 | E118 K217 | E118-K215 WeakPolarHBondContact OE1-CB 3.3Å; K215-K217 PolarHBondContact O-N 2.66Å |
| 216 | R | 62.4 | Low | 81.5 | Confident | 238 Ų | 238 | 98.2 Ų | 98.2 | 90% | 0.898 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 118.7 | 165.4 | -75.5 | -175.3 | 172.8 | 175.8 | -4.4 | 105.8 | R214 | R214-R216 PolarHBondContact O-N 3.16Š|
| 217 | K | 46.7 | Very low | 80.3 | Confident | 283 Ų | 283 | 105.2 Ų | 105.2 | 100% | 1.23 | 46% | 0.458 | S | S | * | . | trans | -59.6 | 0 | 169.7 | -79.4 | -172.4 | 175.8 | -176.7 | 0 | 109.6 | K215 | K215-K217 PolarHBondContact O-N 2.66Š|
Retrieved 217 of 217 residues in 115.2 ms
(Link to these results)