| 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 | 33.4 | Very low | 31.7 | Very low | 240 Ų | 240 | 170.7 Ų | 170.7 | 100% | 1.182 | 83% | 0.825 | S | S | * | * | 0 | 119.8 | 0 | -102.9 | 171.3 | 167.8 | 0 | 0 | 105.9 | |||||
| 2 | K | 32 | Very low | 32.1 | Very low | 205 Ų | 205 | 167.6 Ų | 167.6 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -52.4 | 141.3 | -164.2 | -76.2 | 179.6 | 172.3 | -178.5 | 0 | 113.3 | ||||
| 3 | D | 33.9 | Very low | 32.4 | Very low | 143 Ų | 143 | 166.7 Ų | 166.7 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -52.2 | 128.5 | -172.9 | -56.5 | -64.8 | 0 | 0 | 0 | 112.7 | D5 | D3-D5 VanDerWaalsContact C-N 3.33Å; D3-D5 PolarHBondContact O-N 3.07Å | ||
| 4 | R | 30 | Very low | 33.2 | Very low | 213 Ų | 213 | 157.4 Ų | 157.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -89.5 | 76.1 | 168 | -70.3 | -179.4 | -177 | 177.1 | 1.5 | 107.4 | R6 | R4-R6 PolarHBondContact O-N 2.95Š| ||
| 5 | D | 34.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -72.9 | 89.4 | 158.7 | -72.4 | -29.3 | 0 | 0 | 0 | 106.6 | D3 D7 | D3-D5 VanDerWaalsContact C-N 3.33Å; D3-D5 PolarHBondContact O-N 3.07Å; D5-D7 PolarHBondContact O-N 3.15Å | ||
| 6 | R | 30.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | trans | -77.3 | 108.2 | 164.9 | -77.1 | -178 | -175.2 | -178.5 | -0.1 | 106.2 | R4 E8 | R4-R6 PolarHBondContact O-N 2.95Å; R6-E8 PolarHBondContact O-N 2.94Å | ||
| 7 | D | 32.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | trans | -51.9 | 102.9 | 162 | -70.5 | -53.8 | 0 | 0 | 0 | 108.6 | D5 D9 | D5-D7 PolarHBondContact O-N 3.15Å; D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 2.99Å | ||
| 8 | E | 29.1 | Very low | 36.8 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | trans | -84.3 | 6.2 | -179.3 | -92.4 | -170.5 | 169.6 | 0 | 0 | 114 | R6 G10 | R6-E8 PolarHBondContact O-N 2.94Å; E8-G10 PolarHBondContact O-N 2.88Å | ||
| 9 | D | 32.3 | Very low | 37.5 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | trans | -95.6 | 78 | 175.6 | -71.6 | -33.5 | 0 | 0 | 0 | 111 | D7 R11 | D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 2.99Å; D9-R11 PolarHBondContact O-N 3.38Å | ||
| 10 | G | 26.7 | Very low | 37.4 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -66 | 32 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E8 E12 | E8-G10 PolarHBondContact O-N 2.88Å; G10-E12 PolarHBondContact O-N 3.22Å; G10-E12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | R | 33.3 | Very low | 37.2 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | trans | -75.4 | 100.6 | 173.3 | -67.4 | -169.7 | -175.1 | -165.3 | 1.7 | 108.1 | D9 E13 E36 | D9-R11 PolarHBondContact O-N 3.38Å; R11-E13 PolarHBondContact O-N 2.66Å; R11-E36 IonicContact NH1-OE1 2.62Å; R11-E36 PolarHBondContact NH1-OE1 3.38Å; R11-E36 IonicContact NH2-OE1 3.49Å | ||
| 12 | E | 36.6 | Very low | 37.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 62% | 0.621 | 63% | 0.632 | S | S | * | * | trans | -42.4 | 120.4 | 177.6 | -69.8 | -178.7 | 152.5 | 0 | 0 | 111.3 | G10 C14 N300 | G10-E12 PolarHBondContact O-N 3.22Å; G10-E12 VanDerWaalsContact O-N 3.13Å; E12-C14 VanDerWaalsContact C-N 3.26Å; E12-C14 PolarHBondContact O-N 3.37Å; E12-N300 PolarHBondContact OE1-ND2 2.8Å; E12-N300 PolarHBondContact OE2-ND2 3.32Å | ||
| 13 | E | 35.8 | Very low | 37.4 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 63% | 0.633 | S | S | * | * | trans | -74.7 | 73.8 | -172.3 | -157 | 171.3 | -146.2 | 0 | 0 | 111.1 | R11 G15 | R11-E13 PolarHBondContact O-N 2.66Å; E13-G15 VanDerWaalsContact C-N 3.34Å; E13-G15 PolarHBondContact O-N 2.96Å | ||
| 14 | C | 43.7 | Very low | 37.4 | Very low | 36 Ų | 36 | 128.5 Ų | 128.5 | 24% | 0.243 | 63% | 0.626 | C | S | . | * | trans | -86.8 | 66.2 | 174.5 | -82.2 | 0 | 0 | 0 | 0 | 111.2 | E12 R298 C355 | E12-C14 VanDerWaalsContact C-N 3.26Å; E12-C14 PolarHBondContact O-N 3.37Å; C14-R298 PolarHBondContact SG-O 3.08Å; C14-R298 VanDerWaalsContact SG-O 3.39Å; C14-C355 WeakPolarHBondContact O-CB 3.3Å | ||
| 15 | G | 47.7 | Very low | 37.6 | Very low | 24 Ų | 24 | 123.4 Ų | 123.4 | 25% | 0.247 | 62% | 0.621 | C | S | . | * | trans | -89.4 | 139.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E13 R298 | E13-G15 VanDerWaalsContact C-N 3.34Å; E13-G15 PolarHBondContact O-N 2.96Å; G15-R298 PolarHBondContact O-NH1 3.42Å | ||
| 16 | P | 53.6 | Low | 37.9 | Very low | 14 Ų | 14 | 123 Ų | 123 | 9% | 0.091 | 63% | 0.626 | C | S | . | * | trans | -59.3 | 141.8 | 165.8 | 22.5 | -29.8 | 0 | 0 | 0 | 110.7 | L18 I285 L348 N353 | P16-L18 PolarHBondContact O-N 3.08Å; P16-I285 HydrophobicContact CB-CB 4.47Å; P16-I285 HydrophobicContact CB-CD1 4.42Å; P16-I285 HydrophobicContact CB-CG1 4.29Å; P16-I285 HydrophobicContact CB-CG2 3.52Å; P16-I285 HydrophobicContact CG-CD1 3.95Å; P16-I285 HydrophobicContact CG-CG1 4.27Å; P16-I285 HydrophobicContact CG-CG2 4.17Å; P16-L348 HydrophobicContact CG-CD1 3.75Å; P16-N353 WeakPolarHBondContact CD-O 3.25Å | ||
| 17 | L | 52 | Low | 38.5 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 42% | 0.424 | 61% | 0.612 | S | S | . | * | trans | -68.2 | 115.3 | 173.2 | -81.7 | 151.2 | 0 | 0 | 0 | 108.4 | S19 N291 | L17-S19 PolarHBondContact O-N 3.24Å; L17-N291 VanDerWaalsContact CD1-OD1 3.25Å; L17-N291 WeakPolarHBondContact CD1-OD1 3.44Å | ||
| 18 | L | 45.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -66.6 | 113.1 | 166.3 | -63.6 | 174.5 | 0 | 0 | 0 | 106.6 | P16 K283 I285 N353 | P16-L18 PolarHBondContact O-N 3.08Å; L18-K283 HydrophobicContact CD2-CB 4.28Å; L18-I285 HydrophobicContact CD2-CG1 4.23Å; L18-N353 HydrophobicContact CD2-CB 4.4Å |
| 19 | S | 48.7 | Very low | 40.7 | Very low | 36 Ų | 36 | 120.7 Ų | 120.7 | 25% | 0.252 | 61% | 0.614 | S | S | . | * | trans | -72.5 | 138.2 | 173.6 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | L17 C21 V284 | L17-S19 PolarHBondContact O-N 3.24Å; S19-C21 PolarHBondContact O-N 2.84Å; S19-V284 PolarHBondContact N-O 3.08Å; S19-V284 VanDerWaalsContact N-O 3.16Å; S19-V284 VanDerWaalsContact OG-CB 3.3Å; S19-V284 WeakPolarHBondContact OG-CB 3.49Å; S19-V284 WeakPolarHBondContact OG-CG1 3.4Å | ||
| 20 | E | 36.7 | Very low | 42.7 | Very low | 203 Ų | 203 | 120.1 Ų | 120.1 | 95% | 0.949 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -15.6 | 85.9 | 179.6 | -63.4 | 179.6 | -176.6 | 0 | 0 | 114.8 | ||
| 21 | C | 33.4 | Very low | 45.3 | Very low | 64 Ų | 64 | 119.5 Ų | 119.5 | 43% | 0.432 | 59% | 0.588 | S | S | . | * | trans | -136.4 | 126.8 | 166 | -83.4 | 0 | 0 | 0 | 0 | 106.4 | S19 E23 | S19-C21 PolarHBondContact O-N 2.84Å; C21-E23 PolarHBondContact O-N 3.41Å | ||
| 22 | R | 37 | Very low | 47.8 | Very low | 241 Ų | 241 | 111.4 Ų | 111.4 | 91% | 0.909 | 56% | 0.559 | S | S | * | * | trans | -7.7 | 106.8 | -176.1 | -66.7 | 178.6 | 178.7 | -175.5 | -0.9 | 113.7 | E24 | R22-E24 PolarHBondContact O-N 2.89Š| ||
| 23 | E | 32.1 | Very low | 50.2 | Low | 197 Ų | 197 | 111.8 Ų | 111.8 | 92% | 0.921 | 56% | 0.561 | S | S | * | * | trans | -55.7 | 99 | 168.7 | -67.8 | -175.7 | 164.6 | 0 | 0 | 108.9 | C21 | C21-E23 PolarHBondContact O-N 3.41Š| ||
| 24 | E | 34.6 | Very low | 52.6 | Low | 132 Ų | 132 | 108.3 Ų | 108.3 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | trans | -67.9 | 140 | 165.1 | -75.6 | -170.7 | 160.3 | 0 | 0 | 108.2 | R22 R30 | R22-E24 PolarHBondContact O-N 2.89Å; E24-R30 IonicContact OE2-CZ 3.25Å; E24-R30 IonicContact OE2-NH1 3.15Å; E24-R30 IonicContact OE2-NH2 3.62Å; E24-R30 PolarHBondContact OE2-NH2 2.94Å | ||
| 25 | P | 34.2 | Very low | 54.8 | Low | 106 Ų | 106 | 108.7 Ų | 108.7 | 69% | 0.688 | 54% | 0.542 | S | S | * | . | trans | -56.9 | 151 | -178.6 | 23.5 | -32.9 | 0 | 0 | 0 | 110.3 | S27 | P25-S27 PolarHBondContact O-N 3.5Š| ||
| 26 | P | 39.5 | Very low | 56.8 | Low | 137 Ų | 137 | 112.2 Ų | 112.2 | 89% | 0.89 | 55% | 0.551 | S | S | * | * | trans | -63.6 | 83.2 | -173.5 | 26 | -34.2 | 0 | 0 | 0 | 110.7 | ||||
| 27 | S | 43.8 | Very low | 58.4 | Low | 64 Ų | 64 | 112.4 Ų | 112.4 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | trans | -71 | 136.7 | 173.1 | 79.6 | 0 | 0 | 0 | 0 | 107.1 | P25 R29 R30 | P25-S27 PolarHBondContact O-N 3.5Å; S27-R29 PolarHBondContact O-N 3.4Å; S27-R29 VanDerWaalsContact O-N 3.17Å; S27-R30 PolarHBondContact OG-NE 2.81Å | ||
| 28 | K | 51.7 | Low | 60.2 | Low | 202 Ų | 202 | 110.7 Ų | 110.7 | 88% | 0.878 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -21.8 | 117.2 | 171.2 | -71.4 | 179 | 175.5 | -178.8 | 0 | 110.6 | R30 | K28-R30 PolarHBondContact O-N 2.86Š|
| 29 | R | 56.5 | Low | 62.5 | Low | 208 Ų | 208 | 106.7 Ų | 106.7 | 79% | 0.785 | 52% | 0.519 | S | S | * | . | trans | -29.6 | 105.3 | -177.1 | -82.5 | -179.6 | 173.1 | 172.1 | -1.2 | 109.3 | S27 A31 | S27-R29 PolarHBondContact O-N 3.4Å; S27-R29 VanDerWaalsContact O-N 3.17Å; R29-A31 PolarHBondContact O-N 2.92Å | ||
| 30 | R | 72.8 | Confident | 64.5 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | trans | -61 | 112.7 | 179.9 | -66.2 | 179.6 | -176.3 | 173.7 | 2.9 | 105.4 | E24 S27 K28 K351 T352 | E24-R30 IonicContact OE2-CZ 3.25Å; E24-R30 IonicContact OE2-NH1 3.15Å; E24-R30 IonicContact OE2-NH2 3.62Å; E24-R30 PolarHBondContact OE2-NH2 2.94Å; S27-R30 PolarHBondContact OG-NE 2.81Å; K28-R30 PolarHBondContact O-N 2.86Å; R30-K351 HydrophobicContact CB-CG 4.5Å; R30-T352 WeakPolarHBondContact O-CG2 3.36Å | ||
| 31 | A | 82.1 | Confident | 67.1 | Low | 67 Ų | 67 | 102.4 Ų | 102.4 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | trans | -104 | 140.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | R29 K351 | R29-A31 PolarHBondContact O-N 2.92Å; A31-K351 VanDerWaalsContact O-CE 3.29Å; A31-K351 WeakPolarHBondContact O-CE 3.23Å; A31-K351 PolarHBondContact O-NZ 3.24Å | ||
| 32 | L | 86.5 | Confident | 70.1 | Confident | 17 Ų | 17 | 99.4 Ų | 99.4 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | trans | -81.1 | 115.7 | 165.8 | 179.8 | 63.5 | 0 | 0 | 0 | 107.3 | F34 E35 Y38 N335 F336 N349 K351 | L32-F34 PolarHBondContact O-N 2.81Å; L32-E35 HydrophobicContact CB-CB 4.17Å; L32-E35 HydrophobicContact CD2-CB 4.32Å; L32-E35 HydrophobicContact CD2-CG 4.31Å; L32-E35 HydrophobicContact CG-CB 4.36Å; L32-E35 PolarHBondContact O-N 3.27Å; L32-Y38 HydrophobicContact CD1-CE2 4.32Å; L32-Y38 HydrophobicContact CD2-CD2 4.02Å; L32-Y38 HydrophobicContact CD2-CE2 4.45Å; L32-Y38 HydrophobicContact CG-CD2 4.28Å; L32-Y38 HydrophobicContact CG-CE2 4.32Å; L32-N335 HydrophobicContact CD1-CB 4.46Å; L32-N335 WeakPolarHBondContact CD1-OD1 3.07Å; L32-N335 HydrophobicContact CD2-CB 3.69Å; L32-F336 HydrophobicContact CD2-CE1 4.49Å; L32-F336 HydrophobicContact CD2-CE2 4.26Å; L32-F336 HydrophobicContact CD2-CZ 3.87Å; L32-N349 WeakPolarHBondContact CB-ND2 3.42Å; L32-K351 HydrophobicContact CB-CD 4.26Å; L32-K351 HydrophobicContact CD1-CD 4.07Å | ||
| 33 | E | 87 | Confident | 72.9 | Confident | 141 Ų | 141 | 87.9 Ų | 87.9 | 66% | 0.659 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 136 | 173.5 | -67.9 | 175.6 | -176.1 | 0 | 0 | 108.4 | E35 Y38 | E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 2.77Å; E33-Y38 VanDerWaalsContact O-CE2 3.31Å; E33-Y38 WeakPolarHBondContact O-CE2 3.28Å |
| 34 | F | 86.1 | Confident | 75.8 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 37% | 0.368 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 27 | -178.7 | -45.4 | -72.8 | 0 | 0 | 0 | 115.2 | L32 E36 I37 Y38 M395 A399 | L32-F34 PolarHBondContact O-N 2.81Å; F34-E36 VanDerWaalsContact C-N 3.26Å; F34-E36 PolarHBondContact O-N 3.26Å; F34-E36 VanDerWaalsContact O-N 3.16Å; F34-I37 HydrophobicContact CB-CB 4.29Å; F34-I37 HydrophobicContact CB-CD1 3.98Å; F34-I37 HydrophobicContact CB-CG1 4.22Å; F34-I37 HydrophobicContact CD1-CD1 3.93Å; F34-I37 HydrophobicContact CG-CD1 4.31Å; F34-I37 WeakPolarHBondContact O-CB 3.39Å; F34-I37 PolarHBondContact O-N 2.72Å; F34-Y38 HydrophobicContact CB-CE2 4.27Å; F34-Y38 VanDerWaalsContact O-CD2 3.29Å; F34-Y38 WeakPolarHBondContact O-CD2 3.48Å; F34-Y38 PolarHBondContact O-N 2.81Å; F34-M395 HydrophobicContact CD2-SD 4.4Å; F34-A399 HydrophobicContact CD1-CB 4.34Å; F34-A399 HydrophobicContact CE1-CB 4.32Å |
| 35 | E | 90.3 | Very high | 78.6 | Confident | 44 Ų | 44 | 75 Ų | 75 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -46.1 | -47.5 | 179.4 | -175 | 175.2 | 111.3 | 0 | 0 | 113.2 | L32 E33 I37 Y38 L39 F336 N349 | L32-E35 HydrophobicContact CB-CB 4.17Å; L32-E35 HydrophobicContact CD2-CB 4.32Å; L32-E35 HydrophobicContact CD2-CG 4.31Å; L32-E35 HydrophobicContact CG-CB 4.36Å; L32-E35 PolarHBondContact O-N 3.27Å; E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 2.77Å; E35-I37 VanDerWaalsContact C-N 3.27Å; E35-I37 PolarHBondContact O-N 2.83Å; E35-Y38 PolarHBondContact O-N 2.94Å; E35-L39 HydrophobicContact CG-CD1 3.9Å; E35-L39 HydrophobicContact CG-CG 4.35Å; E35-L39 WeakPolarHBondContact O-CB 3.44Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.3Å; E35-F336 HydrophobicContact CG-CE1 4.35Å; E35-F336 HydrophobicContact CG-CZ 3.95Å; E35-N349 PolarHBondContact OE2-ND2 3.1Å |
| 36 | E | 88.6 | Confident | 81.2 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -30.3 | -178.7 | -66.6 | -68.6 | 173.7 | 0 | 0 | 112.9 | R11 F34 R40 | R11-E36 IonicContact NH1-OE1 2.62Å; R11-E36 PolarHBondContact NH1-OE1 3.38Å; R11-E36 IonicContact NH2-OE1 3.49Å; F34-E36 VanDerWaalsContact C-N 3.26Å; F34-E36 PolarHBondContact O-N 3.26Å; F34-E36 VanDerWaalsContact O-N 3.16Å; E36-R40 WeakPolarHBondContact O-CG 3.15Å; E36-R40 PolarHBondContact O-N 3.41Å |
| 37 | I | 87.3 | Confident | 83.7 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.6 | -49.6 | 177.4 | -57.8 | -175.6 | 0 | 0 | 0 | 109.5 | F34 E35 L39 R40 E398 A399 | F34-I37 HydrophobicContact CB-CB 4.29Å; F34-I37 HydrophobicContact CB-CD1 3.98Å; F34-I37 HydrophobicContact CB-CG1 4.22Å; F34-I37 HydrophobicContact CD1-CD1 3.93Å; F34-I37 HydrophobicContact CG-CD1 4.31Å; F34-I37 WeakPolarHBondContact O-CB 3.39Å; F34-I37 PolarHBondContact O-N 2.72Å; E35-I37 VanDerWaalsContact C-N 3.27Å; E35-I37 PolarHBondContact O-N 2.83Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.4Å; I37-R40 VanDerWaalsContact O-CB 3.32Å; I37-R40 WeakPolarHBondContact O-CB 3.17Å; I37-R40 PolarHBondContact O-N 3.45Å; I37-R40 VanDerWaalsContact O-N 3.07Å; I37-E398 HydrophobicContact CG2-CG 4.37Å; I37-A399 HydrophobicContact CD1-CB 3.49Å; I37-A399 VanDerWaalsContact CD1-CB 3.49Å |
| 38 | Y | 90.5 | Very high | 86.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 177.2 | -61.1 | -60.6 | 0 | 0 | 0 | 112.1 | L32 E33 F34 E35 R40 S41 T333 M395 | L32-Y38 HydrophobicContact CD1-CE2 4.32Å; L32-Y38 HydrophobicContact CD2-CD2 4.02Å; L32-Y38 HydrophobicContact CD2-CE2 4.45Å; L32-Y38 HydrophobicContact CG-CD2 4.28Å; L32-Y38 HydrophobicContact CG-CE2 4.32Å; E33-Y38 VanDerWaalsContact O-CE2 3.31Å; E33-Y38 WeakPolarHBondContact O-CE2 3.28Å; F34-Y38 HydrophobicContact CB-CE2 4.27Å; F34-Y38 VanDerWaalsContact O-CD2 3.29Å; F34-Y38 WeakPolarHBondContact O-CD2 3.48Å; F34-Y38 PolarHBondContact O-N 2.81Å; E35-Y38 PolarHBondContact O-N 2.94Å; Y38-R40 PolarHBondContact O-N 3.34Å; Y38-S41 PolarHBondContact O-N 3.05Å; Y38-T333 HydrophobicContact CD1-CG2 3.73Å; Y38-T333 HydrophobicContact CE1-CG2 3.92Å; Y38-M395 HydrophobicContact CE1-CE 4.39Å; Y38-M395 HydrophobicContact CE1-SD 3.56Å; Y38-M395 VanDerWaalsContact CE1-SD 3.56Å; Y38-M395 HydrophobicContact CE2-SD 4.27Å; Y38-M395 WeakPolarHBondContact OH-CE 3.44Å; Y38-M395 PolarHBondContact OH-SD 2.84Å |
| 39 | L | 92.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -63.7 | -17.6 | 176.5 | -84.4 | 175.6 | 0 | 0 | 0 | 114 | E35 I37 S41 I42 F336 V356 R357 | E35-L39 HydrophobicContact CG-CD1 3.9Å; E35-L39 HydrophobicContact CG-CG 4.35Å; E35-L39 WeakPolarHBondContact O-CB 3.44Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.3Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.4Å; L39-S41 PolarHBondContact O-N 3.42Å; L39-I42 HydrophobicContact CD2-CD1 4.49Å; L39-I42 PolarHBondContact O-N 2.89Å; L39-I42 VanDerWaalsContact O-O 3.11Å; L39-F336 HydrophobicContact CD1-CZ 4.5Å; L39-F336 HydrophobicContact CD2-CD1 4.35Å; L39-F336 HydrophobicContact CD2-CE1 3.83Å; L39-F336 HydrophobicContact CD2-CE2 4.24Å; L39-F336 HydrophobicContact CD2-CZ 3.77Å; L39-F336 HydrophobicContact CG-CE1 4.12Å; L39-F336 HydrophobicContact CG-CE2 4.25Å; L39-F336 HydrophobicContact CG-CZ 3.66Å; L39-V356 HydrophobicContact CD2-CG2 3.75Å; L39-R357 PolarHBondContact O-NH1 2.77Å; L39-R357 VanDerWaalsContact O-NH1 3.15Å; L39-R357 PolarHBondContact O-NH2 3.28Å; L39-R357 VanDerWaalsContact O-NH2 3.07Å |
| 40 | R | 91.3 | Very high | 89.8 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -67.9 | -21 | 172.2 | -62 | -179.7 | -179.1 | -180 | -0 | 112.6 | E36 I37 Y38 I42 P410 P412 | E36-R40 WeakPolarHBondContact O-CG 3.15Å; E36-R40 PolarHBondContact O-N 3.41Å; I37-R40 VanDerWaalsContact O-CB 3.32Å; I37-R40 WeakPolarHBondContact O-CB 3.17Å; I37-R40 PolarHBondContact O-N 3.45Å; I37-R40 VanDerWaalsContact O-N 3.07Å; Y38-R40 PolarHBondContact O-N 3.34Å; R40-I42 VanDerWaalsContact C-N 3.29Å; R40-P410 HydrophobicContact CB-CG 3.56Å; R40-P410 WeakPolarHBondContact O-CG 3.07Å; R40-P412 WeakPolarHBondContact O-CG 3.27Å |
| 41 | S | 92.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 45 Ų | 45 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -86.9 | 5.4 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 114 | Y38 L39 S375 P412 | Y38-S41 PolarHBondContact O-N 3.05Å; L39-S41 PolarHBondContact O-N 3.42Å; S41-S375 PolarHBondContact OG-OG 3.04Å; S41-P412 WeakPolarHBondContact O-CB 3.5Å |
| 42 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -120.9 | 140.5 | 175.5 | -58.2 | 177.7 | 0 | 0 | 0 | 108.1 | L39 R40 D331 F336 I338 V347 R357 P412 I414 | L39-I42 HydrophobicContact CD2-CD1 4.49Å; L39-I42 PolarHBondContact O-N 2.89Å; L39-I42 VanDerWaalsContact O-O 3.11Å; R40-I42 VanDerWaalsContact C-N 3.29Å; I42-D331 HydrophobicContact CD1-CB 4.24Å; I42-F336 HydrophobicContact CD1-CB 3.7Å; I42-F336 HydrophobicContact CD1-CD2 3.67Å; I42-F336 HydrophobicContact CD1-CE2 4.46Å; I42-F336 HydrophobicContact CD1-CG 3.74Å; I42-I338 HydrophobicContact CD1-CD1 4.21Å; I42-I338 HydrophobicContact CG1-CD1 4.4Å; I42-I338 HydrophobicContact CG2-CD1 4.33Å; I42-V347 HydrophobicContact CD1-CG1 3.76Å; I42-V347 HydrophobicContact CG2-CG1 4.31Å; I42-V347 HydrophobicContact CG2-CG2 3.92Å; I42-R357 PolarHBondContact O-NH1 2.68Å; I42-P412 VanDerWaalsContact C-CB 3.45Å; I42-I414 HydrophobicContact CG2-CD1 4.41Å |
| 43 | P | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -57.8 | 150.4 | 177 | -26.5 | 36.4 | 0 | 0 | 0 | 113 | R357 L359 P412 I414 F427 T428 | P43-R357 VanDerWaalsContact C-NH1 3.31Å; P43-R357 PolarHBondContact O-NH1 3.28Å; P43-L359 HydrophobicContact CB-CD1 4.1Å; P43-L359 WeakPolarHBondContact O-CD2 3.46Å; P43-P412 HydrophobicContact CG-CB 4.18Å; P43-I414 HydrophobicContact CG-CB 4.16Å; P43-I414 HydrophobicContact CG-CD1 3.94Å; P43-I414 HydrophobicContact CG-CG1 3.81Å; P43-F427 HydrophobicContact CB-CB 4.2Å; P43-F427 HydrophobicContact CG-CB 4.45Å; P43-F427 VanDerWaalsContact CG-O 3.28Å; P43-F427 WeakPolarHBondContact CG-O 3.41Å; P43-T428 WeakPolarHBondContact CB-O 3.38Å | ||
| 44 | S | 93.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | trans | -118.1 | -15.2 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 115 | T428 N429 | S44-T428 PolarHBondContact N-O 3.37Å; S44-N429 PolarHBondContact N-OD1 3.46Å; S44-N429 VanDerWaalsContact N-OD1 3.09Å; S44-N429 PolarHBondContact OG-OD1 3.32Å; S44-N429 VanDerWaalsContact OG-OD1 3.1Å | ||
| 45 | A | 91.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | trans | -63.6 | 142.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L359 T428 S430 E431 | A45-L359 WeakPolarHBondContact O-CD2 3.49Å; A45-T428 WeakPolarHBondContact CB-O 3.46Å; A45-T428 PolarHBondContact N-O 3.43Å; A45-T428 VanDerWaalsContact N-O 3.08Å; A45-S430 WeakPolarHBondContact CB-O 3.43Å; A45-E431 HydrophobicContact CB-CG 4.44Å | ||
| 46 | N | 89.9 | Confident | 92.4 | Very high | 93 Ų | 93 | 39.3 Ų | 39.3 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -74.8 | -33.5 | 180 | -64 | -70.3 | 0 | 0 | 0 | 111.8 | G360 E431 | N46-G360 WeakPolarHBondContact O-CA 3.38Å; N46-G360 PolarHBondContact O-N 3.2Å; N46-E431 WeakPolarHBondContact CB-OE1 3.32Å; N46-E431 PolarHBondContact N-OE1 3.07Å; N46-E431 PolarHBondContact N-OE2 2.68Å; N46-E431 PolarHBondContact ND2-OE1 3.42Å |
| 47 | A | 92.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -108.3 | 160.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E363 E431 P432 | A47-E363 VanDerWaalsContact CB-OE1 3.26Å; A47-E363 WeakPolarHBondContact CB-OE1 3.46Å; A47-E431 WeakPolarHBondContact CB-OE2 3.5Å; A47-E431 PolarHBondContact N-OE2 2.73Å; A47-E431 VanDerWaalsContact N-OE2 3.08Å; A47-P432 HydrophobicContact CB-CG 3.86Å |
| 48 | Y | 94.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 36 Ų | 36 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | trans | -72.2 | 140 | 169.4 | 65.1 | -94.2 | 0 | 0 | 0 | 109.7 | E363 Y425 L426 R442 D443 | Y48-E363 HydrophobicContact CD1-CG 3.96Å; Y48-E363 VanDerWaalsContact CE1-CD 3.49Å; Y48-E363 HydrophobicContact CE1-CG 4.17Å; Y48-E363 VanDerWaalsContact CE1-OE2 3.25Å; Y48-E363 WeakPolarHBondContact CE1-OE2 3.38Å; Y48-Y425 AromaticContact CD1-CD1 3.66Å; Y48-Y425 HydrophobicContact CD1-CD1 3.66Å; Y48-Y425 HydrophobicContact CD1-CE1 4.32Å; Y48-Y425 HydrophobicContact CD1-CG 4.43Å; Y48-Y425 AromaticContact CD2-CD1 3.8Å; Y48-Y425 HydrophobicContact CD2-CD1 3.8Å; Y48-Y425 AromaticContact CE1-CD1 3.68Å; Y48-Y425 HydrophobicContact CE1-CD1 3.68Å; Y48-Y425 AromaticContact CE1-CE1 3.88Å; Y48-Y425 HydrophobicContact CE1-CE1 3.88Å; Y48-Y425 AromaticContact CE2-CD1 3.82Å; Y48-Y425 HydrophobicContact CE2-CD1 3.82Å; Y48-Y425 HydrophobicContact CE2-CE1 4.22Å; Y48-Y425 AromaticContact CG-CD1 3.74Å; Y48-Y425 HydrophobicContact CG-CD1 3.74Å; Y48-Y425 HydrophobicContact CG-CG 4.41Å; Y48-Y425 AromaticContact CZ-CD1 3.78Å; Y48-Y425 AromaticContact CZ-CE1 3.86Å; Y48-L426 CarbonylContact C-O 3.59Å; Y48-L426 WeakPolarHBondContact CA-O 3.4Å; Y48-L426 WeakPolarHBondContact CB-O 3.46Å; Y48-R442 HydrophobicContact CD2-CG 4.33Å; Y48-R442 HydrophobicContact CE2-CG 3.84Å; Y48-R442 VanDerWaalsContact CE2-CZ 3.44Å; Y48-R442 VanDerWaalsContact CG-NH2 3.34Å; Y48-R442 VanDerWaalsContact CZ-NH2 3.25Å; Y48-R442 PolarHBondContact O-NE 3.05Å; Y48-R442 PolarHBondContact O-NH2 3.13Å; Y48-D443 PolarHBondContact OH-OD1 2.85Å | ||
| 49 | E | 91.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -75 | -50.5 | -179 | -170.6 | -160.8 | 141.3 | 0 | 0 | 110.8 | L426 T428 R442 | E49-L426 PolarHBondContact N-O 3.49Å; E49-T428 WeakPolarHBondContact OE2-CB 3.41Å; E49-T428 WeakPolarHBondContact OE2-CG2 3.34Å; E49-T428 PolarHBondContact OE2-OG1 3.36Å; E49-R442 WeakPolarHBondContact O-CG 3.38Å |
| 50 | K | 92.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154 | -178.1 | -66.4 | -175.1 | -176.2 | 179.5 | 0 | 112.4 | F52 L426 R442 | K50-F52 HydrophobicContact CB-CE2 4.06Å; K50-L426 HydrophobicContact CB-CD1 4.4Å; K50-L426 PolarHBondContact O-N 3.42Å; K50-R442 CarbonylContact C-O 3.49Å; K50-R442 WeakPolarHBondContact CA-O 3.32Å |
| 51 | S | 95 | Very high | 94 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151 | 169.2 | 89.2 | 0 | 0 | 0 | 0 | 111.7 | R423 F424 R442 D443 V444 | S51-R423 PolarHBondContact OG-NH1 2.92Å; S51-F424 CarbonylContact C-O 3.49Å; S51-F424 WeakPolarHBondContact CA-O 3.46Å; S51-F424 WeakPolarHBondContact CB-O 3.43Å; S51-R442 PolarHBondContact N-O 3.2Å; S51-D443 WeakPolarHBondContact CB-OD1 3.44Å; S51-D443 PolarHBondContact OG-OD1 3.15Å; S51-V444 WeakPolarHBondContact O-CB 3.36Å; S51-V444 PolarHBondContact O-N 3.23Å |
| 52 | F | 95.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.2 | -178.8 | -65.6 | -97 | 0 | 0 | 0 | 110.2 | K50 W81 I89 R423 F424 L426 V444 | K50-F52 HydrophobicContact CB-CE2 4.06Å; F52-W81 HydrophobicContact CB-CH2 4.12Å; F52-W81 HydrophobicContact CD1-CH2 4.05Å; F52-W81 AromaticContact CD1-CZ3 3.86Å; F52-W81 HydrophobicContact CD1-CZ3 3.86Å; F52-W81 HydrophobicContact CE1-CZ3 4.27Å; F52-W81 HydrophobicContact CG-CH2 4.28Å; F52-W81 HydrophobicContact CG-CZ3 4.32Å; F52-I89 HydrophobicContact CD2-CD1 3.9Å; F52-I89 HydrophobicContact CE2-CD1 3.65Å; F52-I89 HydrophobicContact CE2-CG1 3.79Å; F52-I89 HydrophobicContact CZ-CD1 4.04Å; F52-I89 HydrophobicContact CZ-CG1 3.79Å; F52-R423 CarbonylContact O-C 3.54Å; F52-R423 WeakPolarHBondContact O-CA 3.38Å; F52-R423 WeakPolarHBondContact O-CB 3.16Å; F52-F424 HydrophobicContact CB-CD1 4.09Å; F52-F424 HydrophobicContact CB-CE1 3.42Å; F52-F424 VanDerWaalsContact CB-CE1 3.42Å; F52-F424 HydrophobicContact CB-CE2 4.06Å; F52-F424 HydrophobicContact CB-CZ 3.41Å; F52-F424 VanDerWaalsContact CB-CZ 3.41Å; F52-F424 AromaticContact CD2-CE2 3.88Å; F52-F424 HydrophobicContact CD2-CE2 3.88Å; F52-F424 AromaticContact CD2-CZ 3.93Å; F52-F424 HydrophobicContact CD2-CZ 3.93Å; F52-F424 HydrophobicContact CG-CE1 4.35Å; F52-F424 HydrophobicContact CG-CE2 4.29Å; F52-F424 AromaticContact CG-CZ 3.86Å; F52-F424 HydrophobicContact CG-CZ 3.86Å; F52-F424 PolarHBondContact N-O 3.15Å; F52-F424 PolarHBondContact O-N 2.68Å; F52-L426 HydrophobicContact CD2-CD1 4.29Å; F52-L426 HydrophobicContact CD2-CG 4.5Å; F52-L426 HydrophobicContact CE2-CD1 3.66Å; F52-L426 HydrophobicContact CE2-CG 4.3Å; F52-V444 HydrophobicContact CD1-CB 3.93Å; F52-V444 HydrophobicContact CD1-CG1 4.04Å; F52-V444 HydrophobicContact CD1-CG2 4.35Å; F52-V444 HydrophobicContact CE1-CB 3.98Å; F52-V444 HydrophobicContact CE1-CG1 3.95Å; F52-V444 HydrophobicContact CE1-CG2 3.96Å; F52-V444 HydrophobicContact CZ-CG2 4.12Å |
| 53 | M | 93.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 16% | 0.158 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 144.9 | -173.8 | -60.1 | -171.7 | 78.4 | 0 | 0 | 113.6 | N422 R423 L445 N446 E447 | M53-N422 WeakPolarHBondContact CA-O 3.41Å; M53-N422 WeakPolarHBondContact CE-ND2 3.31Å; M53-R423 HydrophobicContact CG-CG 3.89Å; M53-R423 PolarHBondContact SD-NH2 2.83Å; M53-L445 HydrophobicContact SD-CD2 3.58Å; M53-L445 VanDerWaalsContact SD-CD2 3.58Å; M53-N446 PolarHBondContact N-OD1 2.91Å; M53-N446 PolarHBondContact O-ND2 3.2Å; M53-E447 HydrophobicContact CB-CB 4.1Å; M53-E447 HydrophobicContact CB-CG 3.98Å |
| 54 | H | 94 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -106.4 | 169.8 | 150.4 | -80.4 | -120.6 | 0 | 0 | 0 | 109 | D56 V58 T71 S73 N422 | H54-D56 VanDerWaalsContact C-N 3.28Å; H54-D56 WeakPolarHBondContact CB-O 3.47Å; H54-V58 HydrophobicContact CB-CG2 3.84Å; H54-T71 PolarHBondContact CE1-OG1 2.91Å; H54-T71 WeakPolarHBondContact NE2-CB 3.5Å; H54-T71 PolarHBondContact NE2-OG1 3.36Å; H54-S73 PolarHBondContact ND1-OG 3.47Å; H54-N422 PolarHBondContact N-O 2.83Å | ||
| 55 | R | 88.3 | Confident | 94.2 | Very high | 129 Ų | 129 | 31.4 Ų | 31.4 | 49% | 0.487 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -72 | -26.4 | 174.2 | -68.4 | -173.6 | 179 | -173.2 | -3 | 112.8 | E447 R450 | R55-E447 HydrophobicContact CG-CG 4.41Å; R55-E447 WeakPolarHBondContact CG-OE2 3.16Å; R55-E447 IonicContact NE-OE2 2.91Å; R55-E447 PolarHBondContact NE-OE2 3.07Å; R55-R450 PolarHBondContact O-NE 2.81Å; R55-R450 PolarHBondContact O-NH2 3.42Å |
| 56 | D | 92.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 32 Ų | 32 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -135 | 179.6 | 178.7 | -139.7 | -57.6 | 0 | 0 | 0 | 111.1 | H54 V58 V74 D75 N422 R450 | H54-D56 VanDerWaalsContact C-N 3.28Å; H54-D56 WeakPolarHBondContact CB-O 3.47Å; D56-V58 PolarHBondContact O-N 2.94Å; D56-V74 HydrophobicContact CB-CG2 4.03Å; D56-V74 WeakPolarHBondContact OD1-CG2 3.41Å; D56-D75 HydrophobicContact CB-CB 4.11Å; D56-N422 VanDerWaalsContact O-CA 3.26Å; D56-N422 WeakPolarHBondContact O-CA 3.32Å; D56-N422 VanDerWaalsContact O-CB 3.29Å; D56-N422 WeakPolarHBondContact O-CB 3.4Å; D56-R450 IonicContact OD2-NH2 3.79Å; D56-R450 PolarHBondContact OD2-NH2 3.36Å |
| 57 | V | 95.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 26% | 0.261 | 14% | 0.138 | S | C | . | . | trans | -52.8 | 126.6 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | S59 S73 V74 K421 | V57-S59 PolarHBondContact O-N 3.4Å; V57-S73 CarbonylContact O-C 3.42Å; V57-S73 WeakPolarHBondContact O-CA 3.44Å; V57-S73 VanDerWaalsContact O-CB 3.29Å; V57-S73 WeakPolarHBondContact O-CB 3.29Å; V57-V74 HydrophobicContact CB-CG1 4.16Å; V57-V74 HydrophobicContact CB-CG2 3.94Å; V57-V74 HydrophobicContact CG1-CG1 4.4Å; V57-V74 PolarHBondContact O-N 3.3Å; V57-K421 WeakPolarHBondContact CA-O 3.32Å | ||
| 58 | V | 97.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.6 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | H54 D56 V61 A72 S417 K421 F424 | H54-V58 HydrophobicContact CB-CG2 3.84Å; D56-V58 PolarHBondContact O-N 2.94Å; V58-V61 HydrophobicContact CG1-CG1 4.07Å; V58-A72 CarbonylContact C-O 3.43Å; V58-A72 WeakPolarHBondContact CG1-O 3.41Å; V58-S417 WeakPolarHBondContact O-CB 3.32Å; V58-K421 PolarHBondContact N-O 3.43Å; V58-F424 HydrophobicContact CG1-CB 4.34Å |
| 59 | S | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -36.4 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | V57 A72 | V57-S59 PolarHBondContact O-N 3.4Å; S59-A72 PolarHBondContact N-O 3.44Å; S59-A72 PolarHBondContact OG-O 2.85Å |
| 60 | H | 98 | Very high | 94.9 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.2 | -175.9 | -56.4 | 74.1 | 0 | 0 | 0 | 111.1 | T71 A72 I102 L105 F325 | H60-T71 CarbonylContact O-C 3.59Å; H60-T71 WeakPolarHBondContact O-CA 3.43Å; H60-A72 HydrophobicContact CB-CB 4.16Å; H60-A72 PolarHBondContact N-O 2.89Å; H60-A72 VanDerWaalsContact N-O 3.16Å; H60-A72 PolarHBondContact O-N 2.76Å; H60-I102 PolarHBondContact CE1-O 2.91Å; H60-L105 HydrophobicContact CB-CB 4.44Å; H60-F325 AromaticContact CE1-CD1 3.85Å; H60-F325 AromaticContact CE1-CE1 3.52Å |
| 61 | V | 98.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139 | 164.8 | -57.6 | 0 | 0 | 0 | 0 | 108.1 | V58 I70 T71 C369 A371 V415 F424 | V58-V61 HydrophobicContact CG1-CG1 4.07Å; V61-I70 CarbonylContact C-O 3.54Å; V61-I70 WeakPolarHBondContact CA-O 3.29Å; V61-T71 HydrophobicContact CG1-CG2 4.13Å; V61-C369 HydrophobicContact CG2-CB 4.1Å; V61-C369 WeakPolarHBondContact CG2-O 3.44Å; V61-C369 PolarHBondContact N-SG 3.48Å; V61-C369 PolarHBondContact O-SG 3.24Å; V61-A371 HydrophobicContact CG2-CB 4.26Å; V61-V415 HydrophobicContact CB-CG1 3.97Å; V61-V415 HydrophobicContact CG1-CG1 4.02Å; V61-V415 HydrophobicContact CG2-CG1 4.43Å; V61-F424 HydrophobicContact CG1-CB 4.17Å |
| 62 | A | 97.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 13% | 0.132 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | I69 I70 L105 I107 | A62-I69 CarbonylContact O-C 3.57Å; A62-I69 WeakPolarHBondContact O-CA 3.38Å; A62-I70 PolarHBondContact N-O 3.27Å; A62-I70 PolarHBondContact O-N 2.94Å; A62-L105 HydrophobicContact CB-CD2 3.73Å; A62-I107 HydrophobicContact CB-CD1 3.64Å; A62-I107 HydrophobicContact CB-CG1 4.18Å |
| 63 | A | 96.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 22.2 Ų | 22.2 | 23% | 0.231 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.6 | F68 A371 C373 | A63-F68 CarbonylContact C-O 3.53Å; A63-F68 WeakPolarHBondContact CA-O 3.39Å; A63-A371 HydrophobicContact CB-CB 3.94Å; A63-C373 HydrophobicContact CB-CB 4.44Å |
| 64 | S | 94.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | trans | -86.8 | 162.7 | 177.4 | 79.8 | 0 | 0 | 0 | 0 | 110.8 | T66 F68 | S64-T66 WeakPolarHBondContact CB-OG1 3.4Å; S64-T66 PolarHBondContact O-N 2.8Å; S64-T66 PolarHBondContact OG-N 2.85Å; S64-T66 VanDerWaalsContact OG-N 3.12Å; S64-T66 PolarHBondContact OG-OG1 2.86Å; S64-F68 PolarHBondContact N-O 3.4Å; S64-F68 PolarHBondContact OG-N 3.26Å; S64-F68 PolarHBondContact OG-O 3.05Å | ||
| 65 | R | 91.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 24.7 Ų | 24.7 | 34% | 0.336 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2.2 | 169.8 | -65.5 | -166.5 | 176.8 | 176.5 | -6.2 | 114.1 | Y109 R374 S378 | R65-Y109 WeakPolarHBondContact CD-O 3.2Å; R65-Y109 PolarHBondContact NE-O 2.76Å; R65-Y109 PolarHBondContact NH1-O 3.34Å; R65-Y109 PolarHBondContact NH1-OH 3.15Å; R65-Y109 PolarHBondContact NH2-OH 3.09Å; R65-R374 WeakPolarHBondContact O-CD 3.41Å; R65-S378 WeakPolarHBondContact O-CB 3.23Å |
| 66 | T | 91.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 18.6 Ų | 18.6 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 23.6 | -178.8 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | S64 F68 G111 | S64-T66 WeakPolarHBondContact CB-OG1 3.4Å; S64-T66 PolarHBondContact O-N 2.8Å; S64-T66 PolarHBondContact OG-N 2.85Å; S64-T66 VanDerWaalsContact OG-N 3.12Å; S64-T66 PolarHBondContact OG-OG1 2.86Å; T66-F68 WeakPolarHBondContact O-CD2 3.46Å; T66-F68 VanDerWaalsContact O-CE2 3.3Å; T66-F68 WeakPolarHBondContact O-CE2 3.46Å; T66-F68 PolarHBondContact O-N 2.66Å; T66-G111 PolarHBondContact OG1-O 3.02Å |
| 67 | D | 93.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 9% | 0.086 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 63.1 | 20.3 | 178.3 | -57.1 | -55.1 | 0 | 0 | 0 | 114.8 | K83 H85 S378 | D67-K83 WeakPolarHBondContact O-CB 2.97Å; D67-K83 PolarHBondContact O-N 3.44Å; D67-H85 IonicContact OD1-CE1 4Å; D67-H85 IonicContact OD1-NE2 3.28Å; D67-H85 PolarHBondContact OD1-NE2 2.92Å; D67-H85 IonicContact OD2-NE2 2.6Å; D67-S378 WeakPolarHBondContact OD2-CB 3.5Å; D67-S378 PolarHBondContact OD2-N 3.1Å; D67-S378 PolarHBondContact OD2-OG 2.84Å |
| 68 | F | 95.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 15.2 Ų | 15.2 | 7% | 0.066 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.2 | 172.5 | -65.1 | -69.2 | 0 | 0 | 0 | 111.5 | A63 S64 T66 I70 W81 K82 V128 F131 | A63-F68 CarbonylContact C-O 3.53Å; A63-F68 WeakPolarHBondContact CA-O 3.39Å; S64-F68 PolarHBondContact N-O 3.4Å; S64-F68 PolarHBondContact OG-N 3.26Å; S64-F68 PolarHBondContact OG-O 3.05Å; T66-F68 WeakPolarHBondContact O-CD2 3.46Å; T66-F68 VanDerWaalsContact O-CE2 3.3Å; T66-F68 WeakPolarHBondContact O-CE2 3.46Å; T66-F68 PolarHBondContact O-N 2.66Å; F68-I70 HydrophobicContact CB-CD1 4.37Å; F68-W81 CarbonylContact C-O 3.46Å; F68-W81 WeakPolarHBondContact CA-O 3.43Å; F68-W81 WeakPolarHBondContact CD1-O 3.45Å; F68-K82 HydrophobicContact CD1-CB 4.01Å; F68-K82 HydrophobicContact CD1-CG 4.16Å; F68-K82 HydrophobicContact CE1-CB 3.79Å; F68-K82 HydrophobicContact CE1-CD 3.92Å; F68-K82 HydrophobicContact CE1-CG 3.67Å; F68-K82 HydrophobicContact CZ-CD 4.42Å; F68-K82 HydrophobicContact CZ-CG 4.44Å; F68-V128 HydrophobicContact CB-CG1 3.9Å; F68-V128 HydrophobicContact CD2-CG1 3.88Å; F68-V128 HydrophobicContact CG-CG1 4.17Å; F68-F131 AromaticContact CD1-CE1 3.55Å; F68-F131 HydrophobicContact CD1-CE1 3.55Å; F68-F131 HydrophobicContact CD1-CZ 4.16Å; F68-F131 HydrophobicContact CD2-CE1 4.31Å; F68-F131 HydrophobicContact CE1-CD1 4.4Å; F68-F131 AromaticContact CE1-CE1 3.11Å; F68-F131 HydrophobicContact CE1-CE1 3.11Å; F68-F131 AromaticContact CE1-CZ 3.26Å; F68-F131 HydrophobicContact CE1-CZ 3.26Å; F68-F131 AromaticContact CE2-CE1 3.92Å; F68-F131 HydrophobicContact CE2-CE1 3.92Å; F68-F131 HydrophobicContact CE2-CZ 4.18Å; F68-F131 HydrophobicContact CG-CE1 4.15Å; F68-F131 AromaticContact CZ-CE1 3.33Å; F68-F131 HydrophobicContact CZ-CE1 3.33Å; F68-F131 AromaticContact CZ-CZ 3.27Å; F68-F131 HydrophobicContact CZ-CZ 3.27Å |
| 69 | I | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.7 | 172.3 | -63 | 157.3 | 0 | 0 | 0 | 106.6 | A62 T71 W81 K83 I89 M413 V415 | A62-I69 CarbonylContact O-C 3.57Å; A62-I69 WeakPolarHBondContact O-CA 3.38Å; I69-T71 HydrophobicContact CG2-CG2 4.13Å; I69-W81 HydrophobicContact CB-CB 4.16Å; I69-W81 PolarHBondContact N-O 3.32Å; I69-W81 PolarHBondContact O-N 3.44Å; I69-K83 HydrophobicContact CD1-CB 4.24Å; I69-I89 HydrophobicContact CD1-CG2 3.59Å; I69-M413 HydrophobicContact CD1-SD 4.03Å; I69-V415 HydrophobicContact CD1-CG2 3.81Å; I69-V415 HydrophobicContact CG1-CG2 4.09Å; I69-V415 HydrophobicContact CG2-CB 4.43Å; I69-V415 HydrophobicContact CG2-CG1 4.11Å; I69-V415 HydrophobicContact CG2-CG2 3.89Å |
| 70 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.6 | 175.4 | -57.5 | 94.5 | 0 | 0 | 0 | 108.5 | V61 A62 F68 V78 K79 F80 L105 I107 M114 V128 | V61-I70 CarbonylContact C-O 3.54Å; V61-I70 WeakPolarHBondContact CA-O 3.29Å; A62-I70 PolarHBondContact N-O 3.27Å; A62-I70 PolarHBondContact O-N 2.94Å; F68-I70 HydrophobicContact CB-CD1 4.37Å; I70-V78 HydrophobicContact CG2-CG1 3.49Å; I70-V78 VanDerWaalsContact CG2-CG1 3.49Å; I70-K79 WeakPolarHBondContact CA-O 3.34Å; I70-F80 HydrophobicContact CD1-CD1 4.43Å; I70-F80 HydrophobicContact CD1-CE1 4.37Å; I70-F80 HydrophobicContact CG1-CD1 3.68Å; I70-F80 HydrophobicContact CG1-CE1 3.71Å; I70-F80 HydrophobicContact CG1-CG 4.3Å; I70-F80 HydrophobicContact CG1-CZ 4.34Å; I70-L105 HydrophobicContact CG2-CD1 3.98Å; I70-I107 HydrophobicContact CD1-CD1 3.57Å; I70-I107 HydrophobicContact CD1-CG1 4.43Å; I70-M114 HydrophobicContact CB-CE 4.08Å; I70-M114 HydrophobicContact CB-SD 4.45Å; I70-M114 HydrophobicContact CD1-SD 4.1Å; I70-M114 HydrophobicContact CG1-CE 4.08Å; I70-M114 HydrophobicContact CG1-SD 3.79Å; I70-M114 HydrophobicContact CG2-CE 3.57Å; I70-M114 HydrophobicContact CG2-SD 4.25Å; I70-V128 HydrophobicContact CD1-CG1 4.26Å |
| 71 | T | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | H54 H60 V61 I69 V78 K79 W81 F424 | H54-T71 PolarHBondContact CE1-OG1 2.91Å; H54-T71 WeakPolarHBondContact NE2-CB 3.5Å; H54-T71 PolarHBondContact NE2-OG1 3.36Å; H60-T71 CarbonylContact O-C 3.59Å; H60-T71 WeakPolarHBondContact O-CA 3.43Å; V61-T71 HydrophobicContact CG1-CG2 4.13Å; I69-T71 HydrophobicContact CG2-CG2 4.13Å; T71-V78 WeakPolarHBondContact O-CA 3.42Å; T71-K79 PolarHBondContact N-O 2.89Å; T71-K79 PolarHBondContact O-N 2.89Å; T71-K79 PolarHBondContact OG1-O 3.34Å; T71-W81 PolarHBondContact OG1-NE1 2.99Å; T71-F424 HydrophobicContact CG2-CD1 3.85Å; T71-F424 HydrophobicContact CG2-CD2 4.19Å; T71-F424 HydrophobicContact CG2-CE1 3.89Å; T71-F424 HydrophobicContact CG2-CE2 4.23Å; T71-F424 HydrophobicContact CG2-CG 3.98Å; T71-F424 HydrophobicContact CG2-CZ 4.06Å |
| 72 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V58 S59 H60 H77 V78 I102 L105 | V58-A72 CarbonylContact C-O 3.43Å; V58-A72 WeakPolarHBondContact CG1-O 3.41Å; S59-A72 PolarHBondContact N-O 3.44Å; S59-A72 PolarHBondContact OG-O 2.85Å; H60-A72 HydrophobicContact CB-CB 4.16Å; H60-A72 PolarHBondContact N-O 2.89Å; H60-A72 VanDerWaalsContact N-O 3.16Å; H60-A72 PolarHBondContact O-N 2.76Å; A72-H77 CarbonylContact C-O 3.58Å; A72-H77 WeakPolarHBondContact CA-O 3.22Å; A72-V78 HydrophobicContact CB-CG2 4.06Å; A72-I102 HydrophobicContact CB-CD1 3.75Å; A72-L105 HydrophobicContact CB-CD1 3.98Å |
| 73 | S | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 161.2 | 179.1 | 26.7 | 0 | 0 | 0 | 0 | 112 | H54 V57 D75 G76 H77 | H54-S73 PolarHBondContact ND1-OG 3.47Å; V57-S73 CarbonylContact O-C 3.42Å; V57-S73 WeakPolarHBondContact O-CA 3.44Å; V57-S73 VanDerWaalsContact O-CB 3.29Å; V57-S73 WeakPolarHBondContact O-CB 3.29Å; S73-D75 VanDerWaalsContact CB-OD1 3.27Å; S73-D75 WeakPolarHBondContact CB-OD1 3.32Å; S73-D75 PolarHBondContact O-N 3.41Å; S73-D75 PolarHBondContact OG-OD1 3.12Å; S73-G76 PolarHBondContact O-N 3.01Å; S73-H77 PolarHBondContact N-O 2.95Å; S73-H77 WeakPolarHBondContact OG-CB 3.39Å; S73-H77 PolarHBondContact OG-O 3.35Å |
| 74 | V | 93.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 19.1 Ų | 19.1 | 23% | 0.23 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.5 | -176.8 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | D56 V57 G76 L101 | D56-V74 HydrophobicContact CB-CG2 4.03Å; D56-V74 WeakPolarHBondContact OD1-CG2 3.41Å; V57-V74 HydrophobicContact CB-CG1 4.16Å; V57-V74 HydrophobicContact CB-CG2 3.94Å; V57-V74 HydrophobicContact CG1-CG1 4.4Å; V57-V74 PolarHBondContact O-N 3.3Å; V74-G76 VanDerWaalsContact C-N 3.29Å; V74-G76 PolarHBondContact O-N 3.06Å; V74-L101 HydrophobicContact CB-CD1 4.16Å; V74-L101 HydrophobicContact CG1-CD1 4.24Å; V74-L101 WeakPolarHBondContact O-CA 3.34Å |
| 75 | D | 91.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 20.4 Ų | 20.4 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 7.1 | 177.9 | 67.4 | -14.7 | 0 | 0 | 0 | 113.6 | D56 S73 H77 | D56-D75 HydrophobicContact CB-CB 4.11Å; S73-D75 VanDerWaalsContact CB-OD1 3.27Å; S73-D75 WeakPolarHBondContact CB-OD1 3.32Å; S73-D75 PolarHBondContact O-N 3.41Å; S73-D75 PolarHBondContact OG-OD1 3.12Å; D75-H77 IonicContact OD1-CD2 3.19Å; D75-H77 IonicContact OD1-CG 2.85Å; D75-H77 PolarHBondContact OD1-N 2.65Å; D75-H77 IonicContact OD2-CD2 3.89Å; D75-H77 IonicContact OD2-CG 3.57Å |
| 76 | G | 92.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 89.4 | 8.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S73 V74 C97 H98 | S73-G76 PolarHBondContact O-N 3.01Å; V74-G76 VanDerWaalsContact C-N 3.29Å; V74-G76 PolarHBondContact O-N 3.06Å; G76-C97 PolarHBondContact O-N 3.13Å; G76-H98 PolarHBondContact O-N 3.34Å |
| 77 | H | 95.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 140 | 177.9 | -74.9 | -134.9 | 0 | 0 | 0 | 111.7 | A72 S73 D75 H94 F95 | A72-H77 CarbonylContact C-O 3.58Å; A72-H77 WeakPolarHBondContact CA-O 3.22Å; S73-H77 PolarHBondContact N-O 2.95Å; S73-H77 WeakPolarHBondContact OG-CB 3.39Å; S73-H77 PolarHBondContact OG-O 3.35Å; D75-H77 IonicContact OD1-CD2 3.19Å; D75-H77 IonicContact OD1-CG 2.85Å; D75-H77 PolarHBondContact OD1-N 2.65Å; D75-H77 IonicContact OD2-CD2 3.89Å; D75-H77 IonicContact OD2-CG 3.57Å; H77-H94 AromaticContact CE1-CE1 3.77Å; H77-H94 AromaticContact CE1-NE2 3.68Å; H77-H94 AromaticContact CG-NE2 3.55Å; H77-H94 AromaticContact ND1-CE1 3.26Å; H77-H94 PolarHBondContact ND1-CE1 2.99Å; H77-H94 VanDerWaalsContact ND1-CE1 3.26Å; H77-H94 AromaticContact ND1-NE2 2.85Å; H77-H94 PolarHBondContact ND1-NE2 2.87Å; H77-F95 WeakPolarHBondContact CA-O 3.48Å |
| 78 | V | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.5 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | I70 T71 A72 F80 H94 F95 C97 I102 T116 | I70-V78 HydrophobicContact CG2-CG1 3.49Å; I70-V78 VanDerWaalsContact CG2-CG1 3.49Å; T71-V78 WeakPolarHBondContact O-CA 3.42Å; A72-V78 HydrophobicContact CB-CG2 4.06Å; V78-F80 HydrophobicContact CG1-CD2 4.49Å; V78-F80 HydrophobicContact CG1-CE2 4.06Å; V78-H94 PolarHBondContact O-CD2 3Å; V78-F95 PolarHBondContact N-O 3.07Å; V78-F95 PolarHBondContact O-N 2.94Å; V78-C97 HydrophobicContact CG2-CB 3.96Å; V78-C97 WeakPolarHBondContact CG2-SG 3.46Å; V78-I102 HydrophobicContact CG2-CD1 3.7Å; V78-T116 HydrophobicContact CG2-CG2 4.1Å |
| 79 | K | 96.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.2 | 177.6 | -64.3 | 179.1 | -178.6 | -81.3 | 0 | 110.4 | I70 T71 W81 F91 K93 H94 E447 | I70-K79 WeakPolarHBondContact CA-O 3.34Å; T71-K79 PolarHBondContact N-O 2.89Å; T71-K79 PolarHBondContact O-N 2.89Å; T71-K79 PolarHBondContact OG1-O 3.34Å; K79-W81 HydrophobicContact CB-CZ2 4.18Å; K79-W81 HydrophobicContact CD-CZ2 3.72Å; K79-F91 HydrophobicContact CB-CE2 4.24Å; K79-F91 HydrophobicContact CD-CE2 4.25Å; K79-F91 HydrophobicContact CG-CE2 4.17Å; K79-K93 WeakPolarHBondContact CA-O 3.32Å; K79-H94 HydrophobicContact CG-CB 4.18Å; K79-E447 WeakPolarHBondContact CE-OE1 3.35Å; K79-E447 IonicContact NZ-OE1 3.76Å; K79-E447 PolarHBondContact NZ-OE1 2.95Å |
| 80 | F | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.4 | 172.4 | -72.4 | -103.8 | 0 | 0 | 0 | 109.2 | I70 V78 V92 K93 F95 M114 F126 F131 | I70-F80 HydrophobicContact CD1-CD1 4.43Å; I70-F80 HydrophobicContact CD1-CE1 4.37Å; I70-F80 HydrophobicContact CG1-CD1 3.68Å; I70-F80 HydrophobicContact CG1-CE1 3.71Å; I70-F80 HydrophobicContact CG1-CG 4.3Å; I70-F80 HydrophobicContact CG1-CZ 4.34Å; V78-F80 HydrophobicContact CG1-CD2 4.49Å; V78-F80 HydrophobicContact CG1-CE2 4.06Å; F80-V92 HydrophobicContact CB-CB 4.27Å; F80-V92 PolarHBondContact O-N 3.07Å; F80-K93 HydrophobicContact CB-CB 4.46Å; F80-K93 PolarHBondContact N-O 3.39Å; F80-K93 PolarHBondContact O-N 3.45Å; F80-F95 AromaticContact CD2-CD2 3.93Å; F80-F95 HydrophobicContact CD2-CD2 3.93Å; F80-F95 AromaticContact CD2-CE2 3.97Å; F80-F95 HydrophobicContact CD2-CE2 3.97Å; F80-F95 AromaticContact CE2-CD2 3.75Å; F80-F95 HydrophobicContact CE2-CD2 3.75Å; F80-F95 AromaticContact CE2-CE2 3.8Å; F80-F95 HydrophobicContact CE2-CE2 3.8Å; F80-M114 HydrophobicContact CE1-SD 3.5Å; F80-M114 WeakPolarHBondContact CE1-SD 3.45Å; F80-M114 HydrophobicContact CE2-SD 4.42Å; F80-M114 HydrophobicContact CZ-CE 4.48Å; F80-M114 HydrophobicContact CZ-SD 3.33Å; F80-M114 WeakPolarHBondContact CZ-SD 3.29Å; F80-F126 HydrophobicContact CE2-CD1 4.31Å; F80-F126 HydrophobicContact CZ-CB 4.19Å; F80-F126 HydrophobicContact CZ-CD1 4.13Å; F80-F126 HydrophobicContact CZ-CG 4.18Å; F80-F131 HydrophobicContact CD1-CD1 4.27Å |
| 81 | W | 96.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.7 | 176.2 | -45 | 79.9 | 0 | 0 | 0 | 108.4 | F52 F68 I69 T71 K79 I89 E90 F91 F424 | F52-W81 HydrophobicContact CB-CH2 4.12Å; F52-W81 HydrophobicContact CD1-CH2 4.05Å; F52-W81 AromaticContact CD1-CZ3 3.86Å; F52-W81 HydrophobicContact CD1-CZ3 3.86Å; F52-W81 HydrophobicContact CE1-CZ3 4.27Å; F52-W81 HydrophobicContact CG-CH2 4.28Å; F52-W81 HydrophobicContact CG-CZ3 4.32Å; F68-W81 CarbonylContact C-O 3.46Å; F68-W81 WeakPolarHBondContact CA-O 3.43Å; F68-W81 WeakPolarHBondContact CD1-O 3.45Å; I69-W81 HydrophobicContact CB-CB 4.16Å; I69-W81 PolarHBondContact N-O 3.32Å; I69-W81 PolarHBondContact O-N 3.44Å; T71-W81 PolarHBondContact OG1-NE1 2.99Å; K79-W81 HydrophobicContact CB-CZ2 4.18Å; K79-W81 HydrophobicContact CD-CZ2 3.72Å; W81-I89 HydrophobicContact CB-CD1 4.38Å; W81-I89 HydrophobicContact CD2-CD1 4.11Å; W81-I89 HydrophobicContact CE3-CD1 3.8Å; W81-I89 HydrophobicContact CE3-CG1 4.37Å; W81-I89 HydrophobicContact CG-CD1 4.36Å; W81-I89 HydrophobicContact CZ3-CD1 4.43Å; W81-E90 CarbonylContact C-O 3.58Å; W81-E90 WeakPolarHBondContact CA-O 3.48Å; W81-E90 WeakPolarHBondContact CB-O 3.41Å; W81-F91 HydrophobicContact CD2-CD2 4.4Å; W81-F91 HydrophobicContact CE3-CB 3.79Å; W81-F91 HydrophobicContact CE3-CD2 4.24Å; W81-F91 HydrophobicContact CH2-CB 4.45Å; W81-F91 HydrophobicContact CH2-CD2 4.12Å; W81-F91 HydrophobicContact CZ2-CD2 4.27Å; W81-F91 HydrophobicContact CZ3-CB 3.7Å; W81-F91 HydrophobicContact CZ3-CD2 4.12Å; W81-F91 HydrophobicContact CZ3-CG 4.38Å; W81-F424 AromaticContact CD2-CZ 3.97Å; W81-F424 HydrophobicContact CD2-CZ 3.97Å; W81-F424 AromaticContact CE2-CE1 3.73Å; W81-F424 AromaticContact CE2-CZ 3.48Å; W81-F424 VanDerWaalsContact CE2-CZ 3.48Å; W81-F424 HydrophobicContact CE3-CZ 4.39Å; W81-F424 HydrophobicContact CH2-CE1 4.13Å; W81-F424 HydrophobicContact CH2-CZ 4.01Å; W81-F424 AromaticContact CZ2-CE1 3.45Å; W81-F424 HydrophobicContact CZ2-CE1 3.45Å; W81-F424 VanDerWaalsContact CZ2-CE1 3.45Å; W81-F424 AromaticContact CZ2-CZ 3.54Å; W81-F424 HydrophobicContact CZ2-CZ 3.54Å; W81-F424 HydrophobicContact CZ3-CZ 4.4Å; W81-F424 AromaticContact NE1-CE1 3.9Å; W81-F424 AromaticContact NE1-CZ 3.75Å |
| 82 | K | 94 | Very high | 92.5 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | 173.9 | -171.8 | 174.6 | -177.9 | -177.5 | 0 | 108.7 | F68 L84 I89 E90 V92 | F68-K82 HydrophobicContact CD1-CB 4.01Å; F68-K82 HydrophobicContact CD1-CG 4.16Å; F68-K82 HydrophobicContact CE1-CB 3.79Å; F68-K82 HydrophobicContact CE1-CD 3.92Å; F68-K82 HydrophobicContact CE1-CG 3.67Å; F68-K82 HydrophobicContact CZ-CD 4.42Å; F68-K82 HydrophobicContact CZ-CG 4.44Å; K82-L84 HydrophobicContact CD-CD2 4.06Å; K82-L84 HydrophobicContact CG-CD2 4.17Å; K82-L84 PolarHBondContact O-N 2.94Å; K82-I89 CarbonylContact O-C 3.58Å; K82-I89 VanDerWaalsContact O-CA 3.26Å; K82-I89 WeakPolarHBondContact O-CA 3.45Å; K82-E90 PolarHBondContact N-O 2.99Å; K82-E90 PolarHBondContact O-N 2.96Å; K82-V92 HydrophobicContact CB-CG2 3.71Å |
| 83 | K | 93.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.4 | 167.6 | -172.9 | -174.9 | -179.4 | -128.7 | 0 | 108.5 | D67 I69 H85 C373 R374 D411 M413 | D67-K83 WeakPolarHBondContact O-CB 2.97Å; D67-K83 PolarHBondContact O-N 3.44Å; I69-K83 HydrophobicContact CD1-CB 4.24Å; K83-H85 PolarHBondContact NZ-CE1 3.41Å; K83-H85 PolarHBondContact NZ-ND1 2.96Å; K83-C373 HydrophobicContact CD-CB 3.91Å; K83-R374 PolarHBondContact NZ-O 3.06Å; K83-D411 WeakPolarHBondContact CE-OD2 3.48Å; K83-D411 PolarHBondContact NZ-O 2.8Å; K83-D411 IonicContact NZ-OD2 3.81Å; K83-D411 PolarHBondContact NZ-OD2 2.87Å; K83-D411 VanDerWaalsContact NZ-OD2 3.15Å; K83-M413 HydrophobicContact CD-CE 4.49Å; K83-M413 HydrophobicContact CD-SD 4.38Å; K83-M413 HydrophobicContact CG-CE 4.24Å; K83-M413 HydrophobicContact CG-SD 4.35Å |
| 84 | L | 89.7 | Confident | 92.2 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.8 | 170.9 | -57.9 | 179.2 | 0 | 0 | 0 | 106.6 | K82 N86 E87 G88 E90 | K82-L84 HydrophobicContact CD-CD2 4.06Å; K82-L84 HydrophobicContact CG-CD2 4.17Å; K82-L84 PolarHBondContact O-N 2.94Å; L84-N86 PolarHBondContact O-N 2.82Å; L84-E87 HydrophobicContact CB-CB 3.71Å; L84-E87 PolarHBondContact O-N 3.07Å; L84-G88 PolarHBondContact N-O 3.03Å; L84-G88 PolarHBondContact O-N 2.86Å; L84-G88 VanDerWaalsContact O-O 3.14Å; L84-E90 HydrophobicContact CD1-CB 3.93Å; L84-E90 HydrophobicContact CG-CB 4.34Å |
| 85 | H | 83.7 | Confident | 92.1 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 125.4 | -174 | -71.1 | -97.8 | 0 | 0 | 0 | 110.4 | D67 K83 E87 R374 V376 P377 D411 | D67-H85 IonicContact OD1-CE1 4Å; D67-H85 IonicContact OD1-NE2 3.28Å; D67-H85 PolarHBondContact OD1-NE2 2.92Å; D67-H85 IonicContact OD2-NE2 2.6Å; K83-H85 PolarHBondContact NZ-CE1 3.41Å; K83-H85 PolarHBondContact NZ-ND1 2.96Å; H85-E87 PolarHBondContact O-N 3.47Å; H85-R374 PolarHBondContact CE1-O 3.48Å; H85-V376 PolarHBondContact CE1-O 3.18Å; H85-P377 HydrophobicContact CB-CG 4.17Å; H85-P377 VanDerWaalsContact CE1-N 3.29Å; H85-P377 WeakPolarHBondContact NE2-CA 3.17Å; H85-D411 VanDerWaalsContact CA-OD2 3.32Å; H85-D411 WeakPolarHBondContact CA-OD2 3.36Å |
| 86 | N | 84.1 | Confident | 92.1 | Very high | 132 Ų | 132 | 54.4 Ų | 54.4 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 4.2 | -172.4 | -51.1 | -64.9 | 0 | 0 | 0 | 116.5 | L84 D411 | L84-N86 PolarHBondContact O-N 2.82Å; N86-D411 PolarHBondContact N-OD2 3.3Å |
| 87 | E | 85.3 | Confident | 91.9 | Very high | 155 Ų | 155 | 55 Ų | 55 | 72% | 0.724 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -14.7 | 179.2 | -65.4 | 178.1 | -165.8 | 0 | 0 | 112.7 | L84 H85 | L84-E87 HydrophobicContact CB-CB 3.71Å; L84-E87 PolarHBondContact O-N 3.07Å; H85-E87 PolarHBondContact O-N 3.47Å |
| 88 | G | 89.4 | Confident | 91.8 | Very high | 17 Ų | 17 | 54 Ų | 54 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.6 | -130.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L84 | L84-G88 PolarHBondContact N-O 3.03Å; L84-G88 PolarHBondContact O-N 2.86Å; L84-G88 VanDerWaalsContact O-O 3.14Å |
| 89 | I | 94.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.3 | 179 | 70.9 | 168.6 | 0 | 0 | 0 | 111.6 | F52 I69 W81 K82 M413 F424 L426 | F52-I89 HydrophobicContact CD2-CD1 3.9Å; F52-I89 HydrophobicContact CE2-CD1 3.65Å; F52-I89 HydrophobicContact CE2-CG1 3.79Å; F52-I89 HydrophobicContact CZ-CD1 4.04Å; F52-I89 HydrophobicContact CZ-CG1 3.79Å; I69-I89 HydrophobicContact CD1-CG2 3.59Å; W81-I89 HydrophobicContact CB-CD1 4.38Å; W81-I89 HydrophobicContact CD2-CD1 4.11Å; W81-I89 HydrophobicContact CE3-CD1 3.8Å; W81-I89 HydrophobicContact CE3-CG1 4.37Å; W81-I89 HydrophobicContact CG-CD1 4.36Å; W81-I89 HydrophobicContact CZ3-CD1 4.43Å; K82-I89 CarbonylContact O-C 3.58Å; K82-I89 VanDerWaalsContact O-CA 3.26Å; K82-I89 WeakPolarHBondContact O-CA 3.45Å; I89-M413 HydrophobicContact CG2-CE 3.95Å; I89-M413 HydrophobicContact CG2-SD 3.74Å; I89-F424 HydrophobicContact CD1-CE2 3.79Å; I89-F424 HydrophobicContact CD1-CZ 3.97Å; I89-L426 HydrophobicContact CD1-CD1 3.84Å; I89-L426 HydrophobicContact CD1-CD2 4.34Å; I89-L426 HydrophobicContact CG1-CD1 3.91Å; I89-L426 HydrophobicContact CG2-CD1 4.07Å |
| 90 | E | 93 | Very high | 90.7 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138 | 175.7 | -177.5 | -177.3 | -167.5 | 0 | 0 | 110 | W81 K82 L84 | W81-E90 CarbonylContact C-O 3.58Å; W81-E90 WeakPolarHBondContact CA-O 3.48Å; W81-E90 WeakPolarHBondContact CB-O 3.41Å; K82-E90 PolarHBondContact N-O 2.99Å; K82-E90 PolarHBondContact O-N 2.96Å; L84-E90 HydrophobicContact CD1-CB 3.93Å; L84-E90 HydrophobicContact CG-CB 4.34Å |
| 91 | F | 93.5 | Very high | 90.5 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.9 | 171.6 | 172.6 | -99.9 | 0 | 0 | 0 | 110.4 | K79 W81 H94 | K79-F91 HydrophobicContact CB-CE2 4.24Å; K79-F91 HydrophobicContact CD-CE2 4.25Å; K79-F91 HydrophobicContact CG-CE2 4.17Å; W81-F91 HydrophobicContact CD2-CD2 4.4Å; W81-F91 HydrophobicContact CE3-CB 3.79Å; W81-F91 HydrophobicContact CE3-CD2 4.24Å; W81-F91 HydrophobicContact CH2-CB 4.45Å; W81-F91 HydrophobicContact CH2-CD2 4.12Å; W81-F91 HydrophobicContact CZ2-CD2 4.27Å; W81-F91 HydrophobicContact CZ3-CB 3.7Å; W81-F91 HydrophobicContact CZ3-CD2 4.12Å; W81-F91 HydrophobicContact CZ3-CG 4.38Å; F91-H94 HydrophobicContact CE2-CB 3.9Å; F91-H94 HydrophobicContact CZ-CB 3.56Å |
| 92 | V | 91.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -58.1 | -176.9 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | F80 K82 F131 | F80-V92 HydrophobicContact CB-CB 4.27Å; F80-V92 PolarHBondContact O-N 3.07Å; K82-V92 HydrophobicContact CB-CG2 3.71Å; V92-F131 HydrophobicContact CG1-CD1 3.78Å; V92-F131 HydrophobicContact CG1-CD2 3.64Å; V92-F131 HydrophobicContact CG1-CE1 3.83Å; V92-F131 HydrophobicContact CG1-CE2 3.65Å; V92-F131 HydrophobicContact CG1-CG 3.69Å; V92-F131 HydrophobicContact CG1-CZ 3.74Å |
| 93 | K | 93 | Very high | 90.4 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 149.8 | -171.5 | -157.3 | 166 | -179.6 | -179.3 | 0 | 111.3 | K79 F80 F95 F131 D132 | K79-K93 WeakPolarHBondContact CA-O 3.32Å; F80-K93 HydrophobicContact CB-CB 4.46Å; F80-K93 PolarHBondContact N-O 3.39Å; F80-K93 PolarHBondContact O-N 3.45Å; K93-F95 HydrophobicContact CB-CE2 4.19Å; K93-F95 HydrophobicContact CD-CE1 4.47Å; K93-F95 HydrophobicContact CD-CE2 3.61Å; K93-F95 HydrophobicContact CD-CZ 3.5Å; K93-F95 VanDerWaalsContact CD-CZ 3.5Å; K93-F95 HydrophobicContact CG-CD2 4.36Å; K93-F95 HydrophobicContact CG-CE2 3.69Å; K93-F95 HydrophobicContact CG-CZ 3.96Å; K93-F131 HydrophobicContact CB-CB 4.43Å; K93-F131 HydrophobicContact CD-CB 3.75Å; K93-F131 VanDerWaalsContact CD-O 3.27Å; K93-F131 WeakPolarHBondContact CD-O 3.12Å; K93-F131 WeakPolarHBondContact CE-O 3.34Å; K93-F131 PolarHBondContact NZ-O 3.29Å; K93-D132 IonicContact NZ-OD1 3.08Å; K93-D132 PolarHBondContact NZ-OD1 3.39Å |
| 94 | H | 93.3 | Very high | 90.5 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.9 | 176.7 | 167.2 | -142.5 | 0 | 0 | 0 | 109.6 | H77 V78 K79 F91 | H77-H94 AromaticContact CE1-CE1 3.77Å; H77-H94 AromaticContact CE1-NE2 3.68Å; H77-H94 AromaticContact CG-NE2 3.55Å; H77-H94 AromaticContact ND1-CE1 3.26Å; H77-H94 PolarHBondContact ND1-CE1 2.99Å; H77-H94 VanDerWaalsContact ND1-CE1 3.26Å; H77-H94 AromaticContact ND1-NE2 2.85Å; H77-H94 PolarHBondContact ND1-NE2 2.87Å; V78-H94 PolarHBondContact O-CD2 3Å; K79-H94 HydrophobicContact CG-CB 4.18Å; F91-H94 HydrophobicContact CE2-CB 3.9Å; F91-H94 HydrophobicContact CZ-CB 3.56Å |
| 95 | F | 91.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.3 | 173.1 | -65.7 | -86.8 | 0 | 0 | 0 | 110.6 | H77 V78 F80 K93 C97 F126 F131 | H77-F95 WeakPolarHBondContact CA-O 3.48Å; V78-F95 PolarHBondContact N-O 3.07Å; V78-F95 PolarHBondContact O-N 2.94Å; F80-F95 AromaticContact CD2-CD2 3.93Å; F80-F95 HydrophobicContact CD2-CD2 3.93Å; F80-F95 AromaticContact CD2-CE2 3.97Å; F80-F95 HydrophobicContact CD2-CE2 3.97Å; F80-F95 AromaticContact CE2-CD2 3.75Å; F80-F95 HydrophobicContact CE2-CD2 3.75Å; F80-F95 AromaticContact CE2-CE2 3.8Å; F80-F95 HydrophobicContact CE2-CE2 3.8Å; K93-F95 HydrophobicContact CB-CE2 4.19Å; K93-F95 HydrophobicContact CD-CE1 4.47Å; K93-F95 HydrophobicContact CD-CE2 3.61Å; K93-F95 HydrophobicContact CD-CZ 3.5Å; K93-F95 VanDerWaalsContact CD-CZ 3.5Å; K93-F95 HydrophobicContact CG-CD2 4.36Å; K93-F95 HydrophobicContact CG-CE2 3.69Å; K93-F95 HydrophobicContact CG-CZ 3.96Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 WeakPolarHBondContact CB-SG 3.45Å; F95-C97 PolarHBondContact O-N 3.33Å; F95-F126 HydrophobicContact CD1-CE1 4.38Å; F95-F126 HydrophobicContact CD2-CE1 4.22Å; F95-F126 HydrophobicContact CE2-CD1 4.5Å; F95-F126 HydrophobicContact CE2-CE1 4.39Å; F95-F126 HydrophobicContact CG-CE1 4.19Å; F95-F131 VanDerWaalsContact CZ-O 3.25Å; F95-F131 WeakPolarHBondContact CZ-O 3.37Å |
| 96 | R | 90.9 | Very high | 91.5 | Very high | 188 Ų | 188 | 56.3 Ų | 56.3 | 71% | 0.709 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 85.9 | 157 | -177.4 | 175.7 | -175.9 | -175.3 | 2.6 | 107 | ||
| 97 | C | 89.2 | Confident | 92.2 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | trans | -70.9 | -59.5 | -174.6 | -66.7 | 0 | 0 | 0 | 0 | 109.8 | G76 V78 F95 K124 F126 | G76-C97 PolarHBondContact O-N 3.13Å; V78-C97 HydrophobicContact CG2-CB 3.96Å; V78-C97 WeakPolarHBondContact CG2-SG 3.46Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 WeakPolarHBondContact CB-SG 3.45Å; F95-C97 PolarHBondContact O-N 3.33Å; C97-K124 VanDerWaalsContact C-CE 3.41Å; C97-K124 HydrophobicContact CB-CD 4.01Å; C97-K124 WeakPolarHBondContact O-CE 3.38Å; C97-F126 WeakPolarHBondContact SG-CZ 3.29Å | ||
| 98 | H | 91.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | trans | -113.7 | 155.3 | -168 | -66.4 | -76.2 | 0 | 0 | 0 | 112 | G76 G100 I102 T116 S118 D120 S122 | G76-H98 PolarHBondContact O-N 3.34Å; H98-G100 WeakPolarHBondContact CB-O 3.19Å; H98-I102 HydrophobicContact CB-CG1 4.45Å; H98-T116 PolarHBondContact NE2-OG1 2.93Å; H98-S118 WeakPolarHBondContact ND1-CB 3.29Å; H98-D120 WeakPolarHBondContact CA-OD2 3.08Å; H98-D120 VanDerWaalsContact CB-OD2 3.29Å; H98-D120 WeakPolarHBondContact CB-OD2 3.2Å; H98-D120 IonicContact CG-OD2 2.78Å; H98-D120 IonicContact ND1-OD1 3.4Å; H98-D120 PolarHBondContact ND1-OD1 2.85Å; H98-D120 IonicContact ND1-OD2 2.74Å; H98-D120 PolarHBondContact ND1-OD2 2.9Å; H98-D120 VanDerWaalsContact ND1-OD2 3.07Å; H98-S122 PolarHBondContact CE1-OG 3.25Å; H98-S122 PolarHBondContact ND1-OG 2.97Å; H98-S122 VanDerWaalsContact ND1-OG 3.08Å | ||
| 99 | A | 86.8 | Confident | 92.9 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 74% | 0.744 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -88.2 | -13.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D120 | A99-D120 PolarHBondContact N-OD2 3.39Š|
| 100 | G | 84.6 | Confident | 92.7 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -128 | -174.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | H98 I102 S118 | H98-G100 WeakPolarHBondContact CB-O 3.19Å; G100-I102 PolarHBondContact O-N 3.02Å; G100-S118 PolarHBondContact O-OG 3.19Å |
| 101 | L | 90 | Very high | 92.8 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | trans | -59.8 | 131.4 | -179.7 | -175.5 | 130.4 | 0 | 0 | 0 | 111.4 | V74 T103 S118 C119 | V74-L101 HydrophobicContact CB-CD1 4.16Å; V74-L101 HydrophobicContact CG1-CD1 4.24Å; V74-L101 WeakPolarHBondContact O-CA 3.34Å; L101-T103 HydrophobicContact CD2-CG2 4.34Å; L101-T103 PolarHBondContact O-N 2.95Å; L101-S118 VanDerWaalsContact O-CA 3.26Å; L101-S118 WeakPolarHBondContact O-CA 3.43Å; L101-S118 WeakPolarHBondContact O-CB 3.4Å; L101-S118 PolarHBondContact O-OG 3.25Å; L101-C119 PolarHBondContact N-SG 3.42Å; L101-C119 PolarHBondContact O-N 3.1Å | ||
| 102 | I | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 118.2 | 170.7 | -67.9 | 165.4 | 0 | 0 | 0 | 107.6 | H60 A72 V78 H98 G100 M117 | H60-I102 PolarHBondContact CE1-O 2.91Å; A72-I102 HydrophobicContact CB-CD1 3.75Å; V78-I102 HydrophobicContact CG2-CD1 3.7Å; H98-I102 HydrophobicContact CB-CG1 4.45Å; G100-I102 PolarHBondContact O-N 3.02Å; I102-M117 CarbonylContact C-O 3.57Å; I102-M117 WeakPolarHBondContact CA-O 3.35Å |
| 103 | T | 94.4 | Very high | 93 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -35.2 | -179.9 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | L101 M117 C119 P143 R164 | L101-T103 HydrophobicContact CD2-CG2 4.34Å; L101-T103 PolarHBondContact O-N 2.95Å; T103-M117 PolarHBondContact N-O 3.06Å; T103-M117 WeakPolarHBondContact OG1-CG 3.48Å; T103-M117 PolarHBondContact OG1-O 3.39Å; T103-C119 HydrophobicContact CG2-CB 4.35Å; T103-P143 WeakPolarHBondContact CB-O 3.47Å; T103-P143 WeakPolarHBondContact CG2-O 3.49Å; T103-P143 PolarHBondContact OG1-O 2.96Å; T103-R164 VanDerWaalsContact CG2-NH2 3.34Å |
| 104 | H | 96.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.5 | 174.7 | -149.5 | 51.4 | 0 | 0 | 0 | 112.8 | Y115 M117 G146 | H104-Y115 PolarHBondContact CD2-OH 2.94Å; H104-M117 HydrophobicContact CB-CE 4.06Å; H104-M117 HydrophobicContact CB-CG 3.43Å; H104-M117 VanDerWaalsContact CB-CG 3.43Å; H104-M117 HydrophobicContact CB-SD 3.47Å; H104-M117 WeakPolarHBondContact CB-SD 3.45Å; H104-M117 PolarHBondContact N-O 3.41Å; H104-M117 WeakPolarHBondContact O-CG 3.32Å; H104-M117 PolarHBondContact O-N 3.37Å; H104-G146 PolarHBondContact CD2-N 2.65Å; H104-G146 PolarHBondContact CD2-O 2.87Å; H104-G146 VanDerWaalsContact CD2-O 3.22Å; H104-G146 PolarHBondContact NE2-O 3.47Å |
| 105 | L | 97.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 127 | 173.9 | -179.9 | 160 | 0 | 0 | 0 | 107.6 | H60 A62 I70 A72 M114 Y115 T116 | H60-L105 HydrophobicContact CB-CB 4.44Å; A62-L105 HydrophobicContact CB-CD2 3.73Å; I70-L105 HydrophobicContact CG2-CD1 3.98Å; A72-L105 HydrophobicContact CB-CD1 3.98Å; L105-M114 HydrophobicContact CD1-CE 3.74Å; L105-M114 HydrophobicContact CD2-CE 3.82Å; L105-M114 HydrophobicContact CG-CE 3.72Å; L105-Y115 WeakPolarHBondContact CA-O 3.29Å; L105-T116 HydrophobicContact CB-CG2 4.36Å; L105-T116 HydrophobicContact CD1-CG2 3.81Å; L105-T116 HydrophobicContact CG-CG2 3.96Å |
| 106 | S | 97.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.1 | 179.2 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | M114 Y115 W148 | S106-M114 VanDerWaalsContact O-CA 3.23Å; S106-M114 WeakPolarHBondContact O-CA 3.37Å; S106-M114 WeakPolarHBondContact O-CB 3.43Å; S106-Y115 VanDerWaalsContact CB-CZ 3.48Å; S106-Y115 WeakPolarHBondContact CB-OH 3.41Å; S106-Y115 PolarHBondContact N-O 3.44Å; S106-Y115 PolarHBondContact O-N 3.29Å; S106-W148 PolarHBondContact O-NE1 2.81Å |
| 107 | I | 97.4 | Very high | 94 | Very high | 27 Ų | 27 | 22.1 Ų | 22.1 | 14% | 0.138 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.4 | 175.4 | -52 | 175.1 | 0 | 0 | 0 | 107.4 | A62 I70 L113 M114 V128 | A62-I107 HydrophobicContact CB-CD1 3.64Å; A62-I107 HydrophobicContact CB-CG1 4.18Å; I70-I107 HydrophobicContact CD1-CD1 3.57Å; I70-I107 HydrophobicContact CD1-CG1 4.43Å; I107-L113 WeakPolarHBondContact CA-O 3.39Å; I107-L113 WeakPolarHBondContact CG2-O 3.13Å; I107-M114 HydrophobicContact CB-CB 4.41Å; I107-M114 HydrophobicContact CG1-CB 3.99Å; I107-V128 HydrophobicContact CG2-CG2 4.47Å |
| 108 | N | 96 | Very high | 94.3 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | trans | -69.8 | 165.8 | 177.7 | 75.7 | -18.6 | 0 | 0 | 0 | 111.6 | N110 G111 T112 L113 W148 | N108-N110 VanDerWaalsContact C-N 3.31Å; N108-N110 PolarHBondContact ND2-OD1 2.85Å; N108-N110 PolarHBondContact O-N 2.95Å; N108-N110 VanDerWaalsContact O-N 3.14Å; N108-N110 PolarHBondContact OD1-OD1 3.5Å; N108-G111 PolarHBondContact O-N 3.5Å; N108-G111 PolarHBondContact OD1-N 3.37Å; N108-T112 PolarHBondContact ND2-OG1 2.74Å; N108-T112 PolarHBondContact OD1-N 2.9Å; N108-L113 HydrophobicContact CB-CB 4.39Å; N108-L113 PolarHBondContact N-O 2.98Å; N108-L113 PolarHBondContact OD1-N 3.31Å; N108-L113 PolarHBondContact OD1-O 3Å; N108-L113 VanDerWaalsContact OD1-O 3.1Å; N108-W148 VanDerWaalsContact CA-CD1 3.46Å; N108-W148 HydrophobicContact CB-CB 4.22Å; N108-W148 HydrophobicContact CB-CD2 3.65Å; N108-W148 HydrophobicContact CB-CE3 4.18Å; N108-W148 HydrophobicContact CB-CG 3.66Å; N108-W148 VanDerWaalsContact N-CD1 3.31Å | ||
| 109 | Y | 93.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 23.6 Ų | 23.6 | 34% | 0.337 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -39.8 | -170.6 | -175.3 | -109.9 | 0 | 0 | 0 | 116.1 | R65 G111 P152 Y199 | R65-Y109 WeakPolarHBondContact CD-O 3.2Å; R65-Y109 PolarHBondContact NE-O 2.76Å; R65-Y109 PolarHBondContact NH1-O 3.34Å; R65-Y109 PolarHBondContact NH1-OH 3.15Å; R65-Y109 PolarHBondContact NH2-OH 3.09Å; Y109-G111 VanDerWaalsContact C-N 3.34Å; Y109-P152 HydrophobicContact CD1-CG 3.69Å; Y109-P152 HydrophobicContact CE1-CG 4.49Å; Y109-Y199 AromaticContact CD2-CD1 3.88Å; Y109-Y199 HydrophobicContact CD2-CD1 3.88Å; Y109-Y199 AromaticContact CD2-CD2 3.45Å; Y109-Y199 HydrophobicContact CD2-CD2 3.45Å; Y109-Y199 VanDerWaalsContact CD2-CD2 3.45Å; Y109-Y199 HydrophobicContact CD2-CE1 4.12Å; Y109-Y199 AromaticContact CD2-CE2 3.7Å; Y109-Y199 HydrophobicContact CD2-CE2 3.7Å; Y109-Y199 AromaticContact CD2-CG 3.55Å; Y109-Y199 HydrophobicContact CD2-CG 3.55Å; Y109-Y199 AromaticContact CE2-CD2 3.96Å; Y109-Y199 HydrophobicContact CE2-CD2 3.96Å; Y109-Y199 HydrophobicContact CE2-CG 4Å; Y109-Y199 AromaticContact CG-CD1 3.82Å; Y109-Y199 HydrophobicContact CG-CD1 3.82Å; Y109-Y199 HydrophobicContact CG-CD2 4.22Å; Y109-Y199 AromaticContact CG-CE1 3.96Å; Y109-Y199 HydrophobicContact CG-CE1 3.96Å; Y109-Y199 HydrophobicContact CG-CE2 4.33Å; Y109-Y199 AromaticContact CG-CG 3.97Å; Y109-Y199 HydrophobicContact CG-CG 3.97Å |
| 110 | N | 91.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 21.8 Ų | 21.8 | 27% | 0.273 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.5 | -179 | 64.7 | -10.4 | 0 | 0 | 0 | 113.1 | N108 T112 P152 | N108-N110 VanDerWaalsContact C-N 3.31Å; N108-N110 PolarHBondContact ND2-OD1 2.85Å; N108-N110 PolarHBondContact O-N 2.95Å; N108-N110 VanDerWaalsContact O-N 3.14Å; N108-N110 PolarHBondContact OD1-OD1 3.5Å; N110-T112 HydrophobicContact CB-CG2 4.46Å; N110-T112 PolarHBondContact ND2-OG1 3.25Å; N110-T112 PolarHBondContact OD1-N 3.05Å; N110-T112 PolarHBondContact OD1-OG1 3.31Å; N110-P152 HydrophobicContact CB-CB 4.31Å; N110-P152 HydrophobicContact CB-CG 4.02Å |
| 111 | G | 93.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 78.5 | 13.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T66 N108 Y109 V128 | T66-G111 PolarHBondContact OG1-O 3.02Å; N108-G111 PolarHBondContact O-N 3.5Å; N108-G111 PolarHBondContact OD1-N 3.37Å; Y109-G111 VanDerWaalsContact C-N 3.34Å; G111-V128 WeakPolarHBondContact O-CB 3.45Å |
| 112 | T | 94.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 26% | 0.264 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -95.8 | -27.1 | -174.2 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | N108 N110 V128 | N108-T112 PolarHBondContact ND2-OG1 2.74Å; N108-T112 PolarHBondContact OD1-N 2.9Å; N110-T112 HydrophobicContact CB-CG2 4.46Å; N110-T112 PolarHBondContact ND2-OG1 3.25Å; N110-T112 PolarHBondContact OD1-N 3.05Å; N110-T112 PolarHBondContact OD1-OG1 3.31Å; T112-V128 PolarHBondContact O-N 3.03Å |
| 113 | L | 96.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.7 | 178.1 | -63.3 | 174.6 | 0 | 0 | 0 | 110 | I107 N108 F126 I134 W148 A157 | I107-L113 WeakPolarHBondContact CA-O 3.39Å; I107-L113 WeakPolarHBondContact CG2-O 3.13Å; N108-L113 HydrophobicContact CB-CB 4.39Å; N108-L113 PolarHBondContact N-O 2.98Å; N108-L113 PolarHBondContact OD1-N 3.31Å; N108-L113 PolarHBondContact OD1-O 3Å; N108-L113 VanDerWaalsContact OD1-O 3.1Å; L113-F126 WeakPolarHBondContact CA-O 3.35Å; L113-I134 HydrophobicContact CD2-CD1 3.66Å; L113-W148 HydrophobicContact CB-CH2 3.78Å; L113-W148 HydrophobicContact CB-CZ2 3.87Å; L113-W148 HydrophobicContact CD1-CH2 4.17Å; L113-W148 HydrophobicContact CD1-CZ3 4.33Å; L113-A157 HydrophobicContact CD1-CB 3.81Å |
| 114 | M | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.5 | 166.9 | 69.5 | 179.7 | -65.1 | 0 | 0 | 110.2 | I70 F80 L105 S106 I107 T116 I125 F126 V128 | I70-M114 HydrophobicContact CB-CE 4.08Å; I70-M114 HydrophobicContact CB-SD 4.45Å; I70-M114 HydrophobicContact CD1-SD 4.1Å; I70-M114 HydrophobicContact CG1-CE 4.08Å; I70-M114 HydrophobicContact CG1-SD 3.79Å; I70-M114 HydrophobicContact CG2-CE 3.57Å; I70-M114 HydrophobicContact CG2-SD 4.25Å; F80-M114 HydrophobicContact CE1-SD 3.5Å; F80-M114 WeakPolarHBondContact CE1-SD 3.45Å; F80-M114 HydrophobicContact CE2-SD 4.42Å; F80-M114 HydrophobicContact CZ-CE 4.48Å; F80-M114 HydrophobicContact CZ-SD 3.33Å; F80-M114 WeakPolarHBondContact CZ-SD 3.29Å; L105-M114 HydrophobicContact CD1-CE 3.74Å; L105-M114 HydrophobicContact CD2-CE 3.82Å; L105-M114 HydrophobicContact CG-CE 3.72Å; S106-M114 VanDerWaalsContact O-CA 3.23Å; S106-M114 WeakPolarHBondContact O-CA 3.37Å; S106-M114 WeakPolarHBondContact O-CB 3.43Å; I107-M114 HydrophobicContact CB-CB 4.41Å; I107-M114 HydrophobicContact CG1-CB 3.99Å; M114-T116 HydrophobicContact CE-CG2 4.26Å; M114-I125 CarbonylContact O-C 3.58Å; M114-I125 WeakPolarHBondContact O-CA 3.3Å; M114-F126 HydrophobicContact CG-CB 3.64Å; M114-F126 HydrophobicContact CG-CD2 4.02Å; M114-F126 HydrophobicContact CG-CG 4.19Å; M114-F126 PolarHBondContact N-O 3.17Å; M114-F126 PolarHBondContact O-N 3.4Å; M114-F126 HydrophobicContact SD-CB 4.28Å; M114-V128 HydrophobicContact CB-CG2 3.82Å; M114-V128 HydrophobicContact CG-CG2 3.72Å; M114-V128 HydrophobicContact SD-CG2 4.04Å |
| 115 | Y | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.4 | 166.7 | 68.6 | -108.5 | 0 | 0 | 0 | 111 | H104 L105 S106 M117 K124 I125 G146 S147 W148 F159 | H104-Y115 PolarHBondContact CD2-OH 2.94Å; L105-Y115 WeakPolarHBondContact CA-O 3.29Å; S106-Y115 VanDerWaalsContact CB-CZ 3.48Å; S106-Y115 WeakPolarHBondContact CB-OH 3.41Å; S106-Y115 PolarHBondContact N-O 3.44Å; S106-Y115 PolarHBondContact O-N 3.29Å; Y115-M117 HydrophobicContact CD2-CE 3.96Å; Y115-M117 HydrophobicContact CE2-CE 3.24Å; Y115-M117 HydrophobicContact CE2-CG 4.33Å; Y115-K124 CarbonylContact C-O 3.59Å; Y115-K124 WeakPolarHBondContact CA-O 3.36Å; Y115-I125 VanDerWaalsContact CB-CD1 3.45Å; Y115-G146 WeakPolarHBondContact OH-CA 3.37Å; Y115-G146 PolarHBondContact OH-O 3.35Å; Y115-G146 VanDerWaalsContact OH-O 3.05Å; Y115-S147 PolarHBondContact OH-N 3.09Å; Y115-S147 VanDerWaalsContact OH-N 3.16Å; Y115-W148 HydrophobicContact CD1-CD2 4.22Å; Y115-W148 AromaticContact CD1-CE2 3.49Å; Y115-W148 VanDerWaalsContact CD1-CE2 3.49Å; Y115-W148 HydrophobicContact CD1-CH2 4.36Å; Y115-W148 AromaticContact CD1-CZ2 3.58Å; Y115-W148 HydrophobicContact CD1-CZ2 3.58Å; Y115-W148 AromaticContact CD1-NE1 3.52Å; Y115-W148 AromaticContact CE1-CD1 3.92Å; Y115-W148 HydrophobicContact CE1-CD2 4.29Å; Y115-W148 AromaticContact CE1-CE2 3.88Å; Y115-W148 HydrophobicContact CE1-CG 4.35Å; Y115-W148 HydrophobicContact CE1-CZ2 4.42Å; Y115-W148 AromaticContact CE1-NE1 3.6Å; Y115-W148 HydrophobicContact CG-CZ2 4.4Å; Y115-F159 HydrophobicContact CD1-CB 4.33Å; Y115-F159 HydrophobicContact CD1-CD2 4.01Å; Y115-F159 HydrophobicContact CD1-CG 4.18Å; Y115-F159 HydrophobicContact CE1-CB 4.09Å; Y115-F159 HydrophobicContact CE1-CD2 4.08Å; Y115-F159 HydrophobicContact CE1-CG 4.31Å |
| 116 | T | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139 | 162.4 | 60.1 | 0 | 0 | 0 | 0 | 109.1 | V78 H98 L105 M114 I123 K124 F126 | V78-T116 HydrophobicContact CG2-CG2 4.1Å; H98-T116 PolarHBondContact NE2-OG1 2.93Å; L105-T116 HydrophobicContact CB-CG2 4.36Å; L105-T116 HydrophobicContact CD1-CG2 3.81Å; L105-T116 HydrophobicContact CG-CG2 3.96Å; M114-T116 HydrophobicContact CE-CG2 4.26Å; T116-I123 CarbonylContact O-C 3.51Å; T116-I123 VanDerWaalsContact O-CA 3.3Å; T116-I123 WeakPolarHBondContact O-CA 3.34Å; T116-K124 PolarHBondContact N-O 2.75Å; T116-K124 PolarHBondContact O-N 2.78Å; T116-F126 HydrophobicContact CG2-CE2 4.16Å |
| 117 | M | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.4 | 175 | 58.5 | 171 | 80.9 | 0 | 0 | 110.1 | I102 T103 H104 Y115 S122 I123 P143 V161 | I102-M117 CarbonylContact C-O 3.57Å; I102-M117 WeakPolarHBondContact CA-O 3.35Å; T103-M117 PolarHBondContact N-O 3.06Å; T103-M117 WeakPolarHBondContact OG1-CG 3.48Å; T103-M117 PolarHBondContact OG1-O 3.39Å; H104-M117 HydrophobicContact CB-CE 4.06Å; H104-M117 HydrophobicContact CB-CG 3.43Å; H104-M117 VanDerWaalsContact CB-CG 3.43Å; H104-M117 HydrophobicContact CB-SD 3.47Å; H104-M117 WeakPolarHBondContact CB-SD 3.45Å; H104-M117 PolarHBondContact N-O 3.41Å; H104-M117 WeakPolarHBondContact O-CG 3.32Å; H104-M117 PolarHBondContact O-N 3.37Å; Y115-M117 HydrophobicContact CD2-CE 3.96Å; Y115-M117 HydrophobicContact CE2-CE 3.24Å; Y115-M117 HydrophobicContact CE2-CG 4.33Å; M117-S122 WeakPolarHBondContact CA-O 3.5Å; M117-I123 HydrophobicContact CB-CG1 4.01Å; M117-P143 HydrophobicContact CB-CB 4.15Å; M117-P143 HydrophobicContact CB-CG 3.83Å; M117-P143 HydrophobicContact CG-CB 4.46Å; M117-P143 HydrophobicContact CG-CG 4.46Å; M117-P143 HydrophobicContact SD-CB 3.79Å; M117-P143 HydrophobicContact SD-CG 4.4Å; M117-V161 HydrophobicContact CE-CG1 4.31Å; M117-V161 HydrophobicContact CE-CG2 4.28Å |
| 118 | S | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.4 | -172.5 | 174.5 | 0 | 0 | 0 | 0 | 113.2 | H98 G100 L101 D120 R121 S122 P143 | H98-S118 WeakPolarHBondContact ND1-CB 3.29Å; G100-S118 PolarHBondContact O-OG 3.19Å; L101-S118 VanDerWaalsContact O-CA 3.26Å; L101-S118 WeakPolarHBondContact O-CA 3.43Å; L101-S118 WeakPolarHBondContact O-CB 3.4Å; L101-S118 PolarHBondContact O-OG 3.25Å; S118-D120 WeakPolarHBondContact CB-OD1 3.28Å; S118-D120 PolarHBondContact O-N 3.24Å; S118-D120 VanDerWaalsContact O-N 3.09Å; S118-D120 PolarHBondContact OG-N 3.2Å; S118-R121 PolarHBondContact O-N 2.99Å; S118-R121 VanDerWaalsContact O-N 3.09Å; S118-S122 PolarHBondContact N-O 3.37Å; S118-P143 VanDerWaalsContact O-CD 3.27Å; S118-P143 WeakPolarHBondContact O-CD 3.44Å; S118-P143 WeakPolarHBondContact O-CG 3.27Å |
| 119 | C | 94 | Very high | 95.1 | Very high | 45 Ų | 45 | 24.8 Ų | 24.8 | 30% | 0.304 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.1 | 170.5 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | L101 T103 R121 V142 | L101-C119 PolarHBondContact N-SG 3.42Å; L101-C119 PolarHBondContact O-N 3.1Å; T103-C119 HydrophobicContact CG2-CB 4.35Å; C119-R121 PolarHBondContact O-N 3.19Å; C119-V142 HydrophobicContact CB-CG1 4.25Å |
| 120 | D | 94 | Very high | 94.9 | Very high | 52 Ų | 52 | 25.5 Ų | 25.5 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 5.4 | 169.6 | 73.2 | 10.1 | 0 | 0 | 0 | 114.4 | H98 A99 S118 S122 | H98-D120 WeakPolarHBondContact CA-OD2 3.08Å; H98-D120 VanDerWaalsContact CB-OD2 3.29Å; H98-D120 WeakPolarHBondContact CB-OD2 3.2Å; H98-D120 IonicContact CG-OD2 2.78Å; H98-D120 IonicContact ND1-OD1 3.4Å; H98-D120 PolarHBondContact ND1-OD1 2.85Å; H98-D120 IonicContact ND1-OD2 2.74Å; H98-D120 PolarHBondContact ND1-OD2 2.9Å; H98-D120 VanDerWaalsContact ND1-OD2 3.07Å; A99-D120 PolarHBondContact N-OD2 3.39Å; S118-D120 WeakPolarHBondContact CB-OD1 3.28Å; S118-D120 PolarHBondContact O-N 3.24Å; S118-D120 VanDerWaalsContact O-N 3.09Å; S118-D120 PolarHBondContact OG-N 3.2Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 WeakPolarHBondContact OD1-CB 3.3Å; D120-S122 PolarHBondContact OD1-N 2.96Å; D120-S122 PolarHBondContact OD1-OG 2.9Å; D120-S122 PolarHBondContact OD2-OG 2.93Å |
| 121 | R | 95.9 | Very high | 94.7 | Very high | 125 Ų | 125 | 25.3 Ų | 25.3 | 47% | 0.472 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 37.6 | -179.8 | -47.4 | -174.1 | -171.6 | -172.1 | 3.7 | 112.8 | S118 C119 L139 D140 Y141 V142 | S118-R121 PolarHBondContact O-N 2.99Å; S118-R121 VanDerWaalsContact O-N 3.09Å; C119-R121 PolarHBondContact O-N 3.19Å; R121-L139 HydrophobicContact CB-CB 4.43Å; R121-L139 WeakPolarHBondContact CB-O 3.21Å; R121-L139 PolarHBondContact O-N 3.27Å; R121-D140 PolarHBondContact NH1-O 2.7Å; R121-D140 VanDerWaalsContact NH1-O 3.09Å; R121-Y141 WeakPolarHBondContact CB-O 3.36Å; R121-Y141 WeakPolarHBondContact CG-O 3.28Å; R121-V142 HydrophobicContact CG-CG2 3.84Å |
| 122 | S | 95 | Very high | 94.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 8% | 0.077 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.9 | 172.5 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | H98 M117 S118 D120 F137 | H98-S122 PolarHBondContact CE1-OG 3.25Å; H98-S122 PolarHBondContact ND1-OG 2.97Å; H98-S122 VanDerWaalsContact ND1-OG 3.08Å; M117-S122 WeakPolarHBondContact CA-O 3.5Å; S118-S122 PolarHBondContact N-O 3.37Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 WeakPolarHBondContact OD1-CB 3.3Å; D120-S122 PolarHBondContact OD1-N 2.96Å; D120-S122 PolarHBondContact OD1-OG 2.9Å; D120-S122 PolarHBondContact OD2-OG 2.93Å; S122-F137 CarbonylContact C-O 3.44Å; S122-F137 VanDerWaalsContact CA-O 3.23Å; S122-F137 WeakPolarHBondContact CA-O 3.48Å; S122-F137 WeakPolarHBondContact CB-O 3.43Å |
| 123 | I | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.9 | 168.8 | -57.4 | -173.1 | 0 | 0 | 0 | 107.3 | T116 M117 I125 M136 F137 L139 F159 V161 | T116-I123 CarbonylContact O-C 3.51Å; T116-I123 VanDerWaalsContact O-CA 3.3Å; T116-I123 WeakPolarHBondContact O-CA 3.34Å; M117-I123 HydrophobicContact CB-CG1 4.01Å; I123-I125 HydrophobicContact CG2-CD1 3.83Å; I123-M136 CarbonylContact O-C 3.55Å; I123-M136 WeakPolarHBondContact O-CA 3.35Å; I123-F137 HydrophobicContact CB-CB 4.32Å; I123-F137 HydrophobicContact CB-CD2 4.18Å; I123-F137 HydrophobicContact CG2-CD2 4.24Å; I123-F137 PolarHBondContact N-O 3.31Å; I123-F137 PolarHBondContact O-N 3.48Å; I123-L139 HydrophobicContact CD1-CD1 3.85Å; I123-L139 HydrophobicContact CD1-CD2 4.38Å; I123-L139 HydrophobicContact CD1-CG 4.48Å; I123-L139 HydrophobicContact CG1-CD1 3.77Å; I123-L139 HydrophobicContact CG1-CG 4.29Å; I123-F159 HydrophobicContact CD1-CE2 3.84Å; I123-F159 HydrophobicContact CD1-CZ 4.44Å; I123-F159 HydrophobicContact CG2-CE2 4.13Å; I123-F159 HydrophobicContact CG2-CZ 4.23Å; I123-V161 HydrophobicContact CD1-CB 4.49Å; I123-V161 HydrophobicContact CD1-CG1 4.14Å; I123-V161 HydrophobicContact CD1-CG2 3.58Å |
| 124 | K | 97.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.3 | 175.4 | -62.6 | -177 | -169.7 | -41.8 | 0 | 109.1 | C97 Y115 T116 F126 M133 M136 | C97-K124 VanDerWaalsContact C-CE 3.41Å; C97-K124 HydrophobicContact CB-CD 4.01Å; C97-K124 WeakPolarHBondContact O-CE 3.38Å; Y115-K124 CarbonylContact C-O 3.59Å; Y115-K124 WeakPolarHBondContact CA-O 3.36Å; T116-K124 PolarHBondContact N-O 2.75Å; T116-K124 PolarHBondContact O-N 2.78Å; K124-F126 HydrophobicContact CB-CE2 3.6Å; K124-F126 HydrophobicContact CB-CZ 3.87Å; K124-F126 HydrophobicContact CD-CZ 4.37Å; K124-M133 HydrophobicContact CB-CG 4.41Å; K124-M133 HydrophobicContact CB-SD 4.1Å; K124-M133 HydrophobicContact CD-SD 3.68Å; K124-M133 HydrophobicContact CG-SD 4.01Å; K124-M136 HydrophobicContact CD-CE 4.34Å; K124-M136 HydrophobicContact CG-CE 4.37Å; K124-M136 HydrophobicContact CG-CG 4.08Å; K124-M136 PolarHBondContact NZ-SD 3.01Å |
| 125 | I | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.3 | 179.6 | -49.7 | -56.2 | 0 | 0 | 0 | 108.2 | M114 Y115 I123 M133 I134 N135 F137 F159 A174 | M114-I125 CarbonylContact O-C 3.58Å; M114-I125 WeakPolarHBondContact O-CA 3.3Å; Y115-I125 VanDerWaalsContact CB-CD1 3.45Å; I123-I125 HydrophobicContact CG2-CD1 3.83Å; I125-M133 CarbonylContact O-C 3.5Å; I125-M133 WeakPolarHBondContact O-CA 3.23Å; I125-I134 HydrophobicContact CB-CG1 4.15Å; I125-I134 HydrophobicContact CG2-CD1 3.9Å; I125-I134 HydrophobicContact CG2-CG1 3.77Å; I125-I134 PolarHBondContact O-N 2.84Å; I125-N135 HydrophobicContact CB-CB 3.93Å; I125-N135 HydrophobicContact CG1-CB 3.99Å; I125-N135 PolarHBondContact N-O 3.17Å; I125-N135 PolarHBondContact O-N 2.91Å; I125-F137 HydrophobicContact CD1-CE2 4.08Å; I125-F137 HydrophobicContact CG1-CD2 4.38Å; I125-F137 HydrophobicContact CG1-CE2 3.75Å; I125-F137 HydrophobicContact CG1-CZ 4.48Å; I125-F159 HydrophobicContact CD1-CE1 4.08Å; I125-F159 HydrophobicContact CD1-CZ 4.02Å; I125-A174 HydrophobicContact CD1-CB 4.32Å; I125-A174 HydrophobicContact CG1-CB 4.3Å; I125-A174 HydrophobicContact CG2-CB 3.95Å |
| 126 | F | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142 | 177.8 | -54.3 | -102.1 | 0 | 0 | 0 | 110.7 | F80 F95 C97 L113 M114 T116 K124 D132 M133 | F80-F126 HydrophobicContact CE2-CD1 4.31Å; F80-F126 HydrophobicContact CZ-CB 4.19Å; F80-F126 HydrophobicContact CZ-CD1 4.13Å; F80-F126 HydrophobicContact CZ-CG 4.18Å; F95-F126 HydrophobicContact CD1-CE1 4.38Å; F95-F126 HydrophobicContact CD2-CE1 4.22Å; F95-F126 HydrophobicContact CE2-CD1 4.5Å; F95-F126 HydrophobicContact CE2-CE1 4.39Å; F95-F126 HydrophobicContact CG-CE1 4.19Å; C97-F126 WeakPolarHBondContact SG-CZ 3.29Å; L113-F126 WeakPolarHBondContact CA-O 3.35Å; M114-F126 HydrophobicContact CG-CB 3.64Å; M114-F126 HydrophobicContact CG-CD2 4.02Å; M114-F126 HydrophobicContact CG-CG 4.19Å; M114-F126 PolarHBondContact N-O 3.17Å; M114-F126 PolarHBondContact O-N 3.4Å; M114-F126 HydrophobicContact SD-CB 4.28Å; T116-F126 HydrophobicContact CG2-CE2 4.16Å; K124-F126 HydrophobicContact CB-CE2 3.6Å; K124-F126 HydrophobicContact CB-CZ 3.87Å; K124-F126 HydrophobicContact CD-CZ 4.37Å; F126-D132 CarbonylContact C-O 3.59Å; F126-D132 WeakPolarHBondContact CA-O 3.3Å; F126-M133 HydrophobicContact CD1-CB 3.8Å; F126-M133 HydrophobicContact CD1-CG 4.35Å; F126-M133 HydrophobicContact CE1-CB 3.67Å; F126-M133 HydrophobicContact CE1-CG 4.03Å; F126-M133 HydrophobicContact CZ-CB 4.38Å; F126-M133 HydrophobicContact CZ-CG 4.25Å; F126-M133 HydrophobicContact CZ-SD 4.5Å |
| 127 | D | 94 | Very high | 93.5 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 114.8 | 156 | -175.4 | -36.8 | 0 | 0 | 0 | 107.9 | C129 N130 F131 D132 I134 | D127-C129 PolarHBondContact OD1-N 2.87Å; D127-N130 HydrophobicContact CB-CB 4.27Å; D127-N130 VanDerWaalsContact CG-ND2 3.33Å; D127-N130 PolarHBondContact OD1-N 2.91Å; D127-N130 PolarHBondContact OD1-ND2 3.33Å; D127-N130 PolarHBondContact OD2-ND2 3.22Å; D127-F131 WeakPolarHBondContact O-CA 3.32Å; D127-F131 PolarHBondContact O-N 3.22Å; D127-D132 PolarHBondContact N-O 2.82Å; D127-D132 PolarHBondContact O-N 3.01Å; D127-I134 HydrophobicContact CB-CG2 3.69Å |
| 128 | V | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -38.3 | -173.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | F68 I70 I107 G111 T112 M114 F131 | F68-V128 HydrophobicContact CB-CG1 3.9Å; F68-V128 HydrophobicContact CD2-CG1 3.88Å; F68-V128 HydrophobicContact CG-CG1 4.17Å; I70-V128 HydrophobicContact CD1-CG1 4.26Å; I107-V128 HydrophobicContact CG2-CG2 4.47Å; G111-V128 WeakPolarHBondContact O-CB 3.45Å; T112-V128 PolarHBondContact O-N 3.03Å; M114-V128 HydrophobicContact CB-CG2 3.82Å; M114-V128 HydrophobicContact CG-CG2 3.72Å; M114-V128 HydrophobicContact SD-CG2 4.04Å; V128-F131 WeakPolarHBondContact O-CD1 3.12Å; V128-F131 VanDerWaalsContact O-CE1 3.28Å; V128-F131 WeakPolarHBondContact O-CE1 3.36Å |
| 129 | C | 90 | Very high | 93.4 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -35.2 | -175.1 | -63.4 | 0 | 0 | 0 | 0 | 112 | D127 F131 | D127-C129 PolarHBondContact OD1-N 2.87Å; C129-F131 WeakPolarHBondContact O-CZ 3.48Å |
| 130 | N | 89.5 | Confident | 93.3 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.8 | 179.2 | -63.9 | -44.6 | 0 | 0 | 0 | 113.1 | D127 D132 | D127-N130 HydrophobicContact CB-CB 4.27Å; D127-N130 VanDerWaalsContact CG-ND2 3.33Å; D127-N130 PolarHBondContact OD1-N 2.91Å; D127-N130 PolarHBondContact OD1-ND2 3.33Å; D127-N130 PolarHBondContact OD2-ND2 3.22Å; N130-D132 PolarHBondContact O-N 3.33Å |
| 131 | F | 87.3 | Confident | 93.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.1 | -178.7 | -38.6 | -59.1 | 0 | 0 | 0 | 113.4 | F68 F80 V92 K93 F95 D127 V128 C129 | F68-F131 AromaticContact CD1-CE1 3.55Å; F68-F131 HydrophobicContact CD1-CE1 3.55Å; F68-F131 HydrophobicContact CD1-CZ 4.16Å; F68-F131 HydrophobicContact CD2-CE1 4.31Å; F68-F131 HydrophobicContact CE1-CD1 4.4Å; F68-F131 AromaticContact CE1-CE1 3.11Å; F68-F131 HydrophobicContact CE1-CE1 3.11Å; F68-F131 AromaticContact CE1-CZ 3.26Å; F68-F131 HydrophobicContact CE1-CZ 3.26Å; F68-F131 AromaticContact CE2-CE1 3.92Å; F68-F131 HydrophobicContact CE2-CE1 3.92Å; F68-F131 HydrophobicContact CE2-CZ 4.18Å; F68-F131 HydrophobicContact CG-CE1 4.15Å; F68-F131 AromaticContact CZ-CE1 3.33Å; F68-F131 HydrophobicContact CZ-CE1 3.33Å; F68-F131 AromaticContact CZ-CZ 3.27Å; F68-F131 HydrophobicContact CZ-CZ 3.27Å; F80-F131 HydrophobicContact CD1-CD1 4.27Å; V92-F131 HydrophobicContact CG1-CD1 3.78Å; V92-F131 HydrophobicContact CG1-CD2 3.64Å; V92-F131 HydrophobicContact CG1-CE1 3.83Å; V92-F131 HydrophobicContact CG1-CE2 3.65Å; V92-F131 HydrophobicContact CG1-CG 3.69Å; V92-F131 HydrophobicContact CG1-CZ 3.74Å; K93-F131 HydrophobicContact CB-CB 4.43Å; K93-F131 HydrophobicContact CD-CB 3.75Å; K93-F131 VanDerWaalsContact CD-O 3.27Å; K93-F131 WeakPolarHBondContact CD-O 3.12Å; K93-F131 WeakPolarHBondContact CE-O 3.34Å; K93-F131 PolarHBondContact NZ-O 3.29Å; F95-F131 VanDerWaalsContact CZ-O 3.25Å; F95-F131 WeakPolarHBondContact CZ-O 3.37Å; D127-F131 WeakPolarHBondContact O-CA 3.32Å; D127-F131 PolarHBondContact O-N 3.22Å; V128-F131 WeakPolarHBondContact O-CD1 3.12Å; V128-F131 VanDerWaalsContact O-CE1 3.28Å; V128-F131 WeakPolarHBondContact O-CE1 3.36Å; C129-F131 WeakPolarHBondContact O-CZ 3.48Å |
| 132 | D | 88.2 | Confident | 93.4 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.5 | -172.3 | -79.4 | -22.8 | 0 | 0 | 0 | 111.5 | K93 F126 D127 N130 I134 | K93-D132 IonicContact NZ-OD1 3.08Å; K93-D132 PolarHBondContact NZ-OD1 3.39Å; F126-D132 CarbonylContact C-O 3.59Å; F126-D132 WeakPolarHBondContact CA-O 3.3Å; D127-D132 PolarHBondContact N-O 2.82Å; D127-D132 PolarHBondContact O-N 3.01Å; N130-D132 PolarHBondContact O-N 3.33Å; D132-I134 PolarHBondContact O-N 3.16Å |
| 133 | M | 91.7 | Very high | 93.5 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 106.4 | 169.2 | -176.1 | -178.1 | 67.2 | 0 | 0 | 108 | K124 I125 F126 M136 | K124-M133 HydrophobicContact CB-CG 4.41Å; K124-M133 HydrophobicContact CB-SD 4.1Å; K124-M133 HydrophobicContact CD-SD 3.68Å; K124-M133 HydrophobicContact CG-SD 4.01Å; I125-M133 CarbonylContact O-C 3.5Å; I125-M133 WeakPolarHBondContact O-CA 3.23Å; F126-M133 HydrophobicContact CD1-CB 3.8Å; F126-M133 HydrophobicContact CD1-CG 4.35Å; F126-M133 HydrophobicContact CE1-CB 3.67Å; F126-M133 HydrophobicContact CE1-CG 4.03Å; F126-M133 HydrophobicContact CZ-CB 4.38Å; F126-M133 HydrophobicContact CZ-CG 4.25Å; F126-M133 HydrophobicContact CZ-SD 4.5Å; M133-M136 HydrophobicContact CE-CE 3.48Å; M133-M136 VanDerWaalsContact CE-CE 3.48Å; M133-M136 HydrophobicContact SD-CE 3.63Å |
| 134 | I | 93 | Very high | 93.4 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 40% | 0.395 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -22.5 | -174.2 | 61.1 | 169.9 | 0 | 0 | 0 | 113.1 | L113 I125 D127 D132 | L113-I134 HydrophobicContact CD2-CD1 3.66Å; I125-I134 HydrophobicContact CB-CG1 4.15Å; I125-I134 HydrophobicContact CG2-CD1 3.9Å; I125-I134 HydrophobicContact CG2-CG1 3.77Å; I125-I134 PolarHBondContact O-N 2.84Å; D127-I134 HydrophobicContact CB-CG2 3.69Å; D132-I134 PolarHBondContact O-N 3.16Å |
| 135 | N | 94.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 158.3 | 180 | -150.3 | -9.3 | 0 | 0 | 0 | 111.9 | I125 F137 A174 G176 | I125-N135 HydrophobicContact CB-CB 3.93Å; I125-N135 HydrophobicContact CG1-CB 3.99Å; I125-N135 PolarHBondContact N-O 3.17Å; I125-N135 PolarHBondContact O-N 2.91Å; N135-F137 HydrophobicContact CB-CZ 4.38Å; N135-F137 VanDerWaalsContact ND2-CE1 3.31Å; N135-F137 WeakPolarHBondContact ND2-CE1 3.35Å; N135-F137 WeakPolarHBondContact ND2-CZ 3.21Å; N135-A174 WeakPolarHBondContact CB-O 3.36Å; N135-A174 PolarHBondContact ND2-O 3.41Å; N135-G176 PolarHBondContact ND2-O 3.1Å |
| 136 | M | 94.7 | Very high | 93.4 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 130.8 | 175.7 | -178.4 | -176.2 | -42.9 | 0 | 0 | 110.3 | I123 K124 M133 | I123-M136 CarbonylContact O-C 3.55Å; I123-M136 WeakPolarHBondContact O-CA 3.35Å; K124-M136 HydrophobicContact CD-CE 4.34Å; K124-M136 HydrophobicContact CG-CE 4.37Å; K124-M136 HydrophobicContact CG-CG 4.08Å; K124-M136 PolarHBondContact NZ-SD 3.01Å; M133-M136 HydrophobicContact CE-CE 3.48Å; M133-M136 VanDerWaalsContact CE-CE 3.48Å; M133-M136 HydrophobicContact SD-CE 3.63Å |
| 137 | F | 89.6 | Confident | 93.4 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140 | 175.8 | -50.7 | -57.1 | 0 | 0 | 0 | 110 | S122 I123 I125 N135 F159 D173 G176 G178 | S122-F137 CarbonylContact C-O 3.44Å; S122-F137 VanDerWaalsContact CA-O 3.23Å; S122-F137 WeakPolarHBondContact CA-O 3.48Å; S122-F137 WeakPolarHBondContact CB-O 3.43Å; I123-F137 HydrophobicContact CB-CB 4.32Å; I123-F137 HydrophobicContact CB-CD2 4.18Å; I123-F137 HydrophobicContact CG2-CD2 4.24Å; I123-F137 PolarHBondContact N-O 3.31Å; I123-F137 PolarHBondContact O-N 3.48Å; I125-F137 HydrophobicContact CD1-CE2 4.08Å; I125-F137 HydrophobicContact CG1-CD2 4.38Å; I125-F137 HydrophobicContact CG1-CE2 3.75Å; I125-F137 HydrophobicContact CG1-CZ 4.48Å; N135-F137 HydrophobicContact CB-CZ 4.38Å; N135-F137 VanDerWaalsContact ND2-CE1 3.31Å; N135-F137 WeakPolarHBondContact ND2-CE1 3.35Å; N135-F137 WeakPolarHBondContact ND2-CZ 3.21Å; F137-F159 HydrophobicContact CD2-CZ 4.09Å; F137-F159 HydrophobicContact CE2-CE1 4.09Å; F137-F159 AromaticContact CE2-CZ 3.83Å; F137-F159 HydrophobicContact CE2-CZ 3.83Å; F137-D173 WeakPolarHBondContact CZ-O 3.46Å; F137-G176 WeakPolarHBondContact CE1-O 3.06Å; F137-G178 VanDerWaalsContact CE1-N 3.3Å |
| 138 | R | 93.8 | Very high | 93.6 | Very high | 234 Ų | 234 | 47.7 Ų | 47.7 | 88% | 0.883 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.1 | 167.3 | -173.8 | 175 | -176.6 | 139.5 | 0.9 | 107.9 | ||
| 139 | L | 94.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | trans | -97.5 | 151.3 | -179.6 | -56.3 | 175.1 | 0 | 0 | 0 | 109.9 | R121 I123 Y141 P143 Y172 | R121-L139 HydrophobicContact CB-CB 4.43Å; R121-L139 WeakPolarHBondContact CB-O 3.21Å; R121-L139 PolarHBondContact O-N 3.27Å; I123-L139 HydrophobicContact CD1-CD1 3.85Å; I123-L139 HydrophobicContact CD1-CD2 4.38Å; I123-L139 HydrophobicContact CD1-CG 4.48Å; I123-L139 HydrophobicContact CG1-CD1 3.77Å; I123-L139 HydrophobicContact CG1-CG 4.29Å; L139-Y141 VanDerWaalsContact C-N 3.3Å; L139-Y141 HydrophobicContact CB-CD1 4.39Å; L139-Y141 HydrophobicContact CB-CE1 4.3Å; L139-Y141 WeakPolarHBondContact CB-O 3.47Å; L139-Y141 HydrophobicContact CD1-CD2 4.35Å; L139-Y141 HydrophobicContact CD1-CE2 3.79Å; L139-Y141 HydrophobicContact CD2-CE1 4.19Å; L139-P143 HydrophobicContact CD1-CB 3.86Å; L139-P143 HydrophobicContact CD1-CG 3.8Å; L139-Y172 HydrophobicContact CD2-CE2 4.46Å | ||
| 140 | D | 93.9 | Very high | 94.1 | Very high | 108 Ų | 108 | 46 Ų | 46 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -78.4 | -17.7 | 169 | 54.7 | -25.8 | 0 | 0 | 0 | 112.2 | R121 R170 | R121-D140 PolarHBondContact NH1-O 2.7Å; R121-D140 VanDerWaalsContact NH1-O 3.09Å; D140-R170 IonicContact OD1-NH1 3.52Å; D140-R170 IonicContact OD2-NH1 3.58Å; D140-R170 IonicContact OD2-NH2 3.94Å |
| 141 | Y | 95.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -118.9 | 172.4 | 178.9 | 62.1 | -91.4 | 0 | 0 | 0 | 113.2 | R121 L139 P143 V161 E163 Y172 | R121-Y141 WeakPolarHBondContact CB-O 3.36Å; R121-Y141 WeakPolarHBondContact CG-O 3.28Å; L139-Y141 VanDerWaalsContact C-N 3.3Å; L139-Y141 HydrophobicContact CB-CD1 4.39Å; L139-Y141 HydrophobicContact CB-CE1 4.3Å; L139-Y141 WeakPolarHBondContact CB-O 3.47Å; L139-Y141 HydrophobicContact CD1-CD2 4.35Å; L139-Y141 HydrophobicContact CD1-CE2 3.79Å; L139-Y141 HydrophobicContact CD2-CE1 4.19Å; Y141-P143 HydrophobicContact CE2-CB 4.33Å; Y141-V161 HydrophobicContact CE2-CG1 4.04Å; Y141-E163 HydrophobicContact CD1-CG 4.14Å; Y141-E163 HydrophobicContact CD2-CB 3.91Å; Y141-E163 HydrophobicContact CD2-CG 3.6Å; Y141-E163 HydrophobicContact CE1-CG 4.17Å; Y141-E163 HydrophobicContact CE2-CB 4.22Å; Y141-E163 HydrophobicContact CE2-CG 3.59Å; Y141-E163 HydrophobicContact CG-CB 4.36Å; Y141-E163 HydrophobicContact CG-CG 3.88Å; Y141-Y172 WeakPolarHBondContact OH-CE2 3.25Å; Y141-Y172 PolarHBondContact OH-OH 3.39Å |
| 142 | V | 96.2 | Very high | 94.4 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -90.6 | 120.6 | 172 | 171.7 | 0 | 0 | 0 | 0 | 109.4 | C119 R121 R164 | C119-V142 HydrophobicContact CB-CG1 4.25Å; R121-V142 HydrophobicContact CG-CG2 3.84Å; V142-R164 HydrophobicContact CB-CB 4.1Å; V142-R164 HydrophobicContact CG1-CB 4.04Å; V142-R164 WeakPolarHBondContact O-CB 3.27Å; V142-R164 PolarHBondContact O-N 2.87Å | ||
| 143 | P | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.8 | 178.1 | 31.3 | -35.3 | 0 | 0 | 0 | 111.3 | T103 M117 S118 L139 Y141 V161 | T103-P143 WeakPolarHBondContact CB-O 3.47Å; T103-P143 WeakPolarHBondContact CG2-O 3.49Å; T103-P143 PolarHBondContact OG1-O 2.96Å; M117-P143 HydrophobicContact CB-CB 4.15Å; M117-P143 HydrophobicContact CB-CG 3.83Å; M117-P143 HydrophobicContact CG-CB 4.46Å; M117-P143 HydrophobicContact CG-CG 4.46Å; M117-P143 HydrophobicContact SD-CB 3.79Å; M117-P143 HydrophobicContact SD-CG 4.4Å; S118-P143 VanDerWaalsContact O-CD 3.27Å; S118-P143 WeakPolarHBondContact O-CD 3.44Å; S118-P143 WeakPolarHBondContact O-CG 3.27Å; L139-P143 HydrophobicContact CD1-CB 3.86Å; L139-P143 HydrophobicContact CD1-CG 3.8Å; Y141-P143 HydrophobicContact CE2-CB 4.33Å; P143-V161 HydrophobicContact CB-CG1 3.64Å |
| 144 | S | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -58.4 | -179.6 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | A162 E191 | S144-A162 PolarHBondContact N-O 3.09Å; S144-E191 VanDerWaalsContact CB-OE1 3.25Å; S144-E191 WeakPolarHBondContact CB-OE1 3.35Å; S144-E191 PolarHBondContact OG-OE1 2.89Å |
| 145 | T | 96.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 174.3 | -179.5 | -165.1 | 0 | 0 | 0 | 0 | 110.6 | V161 A162 V192 C193 I195 | T145-V161 WeakPolarHBondContact O-CA 3.39Å; T145-A162 HydrophobicContact CG2-CB 3.64Å; T145-A162 PolarHBondContact O-N 2.74Å; T145-V192 HydrophobicContact CG2-CG1 4.49Å; T145-C193 VanDerWaalsContact CB-O 3.32Å; T145-C193 WeakPolarHBondContact CB-O 3.49Å; T145-C193 WeakPolarHBondContact CG2-O 3.24Å; T145-C193 PolarHBondContact OG1-O 3.47Å; T145-I195 HydrophobicContact CG2-CD1 4.43Å; T145-I195 HydrophobicContact CG2-CG1 4.12Å |
| 146 | G | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H104 Y115 A160 | H104-G146 PolarHBondContact CD2-N 2.65Å; H104-G146 PolarHBondContact CD2-O 2.87Å; H104-G146 VanDerWaalsContact CD2-O 3.22Å; H104-G146 PolarHBondContact NE2-O 3.47Å; Y115-G146 WeakPolarHBondContact OH-CA 3.37Å; Y115-G146 PolarHBondContact OH-O 3.35Å; Y115-G146 VanDerWaalsContact OH-O 3.05Å; G146-A160 CarbonylContact C-O 3.46Å; G146-A160 WeakPolarHBondContact CA-O 3.39Å |
| 147 | S | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 146.8 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | Y115 F159 A160 I195 | Y115-S147 PolarHBondContact OH-N 3.09Å; Y115-S147 VanDerWaalsContact OH-N 3.16Å; S147-F159 CarbonylContact O-C 3.51Å; S147-F159 VanDerWaalsContact O-CA 3.28Å; S147-F159 WeakPolarHBondContact O-CA 3.32Å; S147-F159 WeakPolarHBondContact O-CB 3.31Å; S147-A160 PolarHBondContact N-O 2.85Å; S147-A160 PolarHBondContact O-N 3.32Å; S147-I195 WeakPolarHBondContact CB-O 3.46Å |
| 148 | W | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 137.1 | 160.2 | -64.7 | 98.7 | 0 | 0 | 0 | 109.1 | S106 N108 L113 Y115 H150 A157 F159 A174 Y197 | S106-W148 PolarHBondContact O-NE1 2.81Å; N108-W148 VanDerWaalsContact CA-CD1 3.46Å; N108-W148 HydrophobicContact CB-CB 4.22Å; N108-W148 HydrophobicContact CB-CD2 3.65Å; N108-W148 HydrophobicContact CB-CE3 4.18Å; N108-W148 HydrophobicContact CB-CG 3.66Å; N108-W148 VanDerWaalsContact N-CD1 3.31Å; L113-W148 HydrophobicContact CB-CH2 3.78Å; L113-W148 HydrophobicContact CB-CZ2 3.87Å; L113-W148 HydrophobicContact CD1-CH2 4.17Å; L113-W148 HydrophobicContact CD1-CZ3 4.33Å; Y115-W148 HydrophobicContact CD1-CD2 4.22Å; Y115-W148 AromaticContact CD1-CE2 3.49Å; Y115-W148 VanDerWaalsContact CD1-CE2 3.49Å; Y115-W148 HydrophobicContact CD1-CH2 4.36Å; Y115-W148 AromaticContact CD1-CZ2 3.58Å; Y115-W148 HydrophobicContact CD1-CZ2 3.58Å; Y115-W148 AromaticContact CD1-NE1 3.52Å; Y115-W148 AromaticContact CE1-CD1 3.92Å; Y115-W148 HydrophobicContact CE1-CD2 4.29Å; Y115-W148 AromaticContact CE1-CE2 3.88Å; Y115-W148 HydrophobicContact CE1-CG 4.35Å; Y115-W148 HydrophobicContact CE1-CZ2 4.42Å; Y115-W148 AromaticContact CE1-NE1 3.6Å; Y115-W148 HydrophobicContact CG-CZ2 4.4Å; W148-H150 AromaticContact CE3-CD2 3.67Å; W148-H150 AromaticContact CE3-NE2 3.62Å; W148-A157 HydrophobicContact CZ3-CB 4.25Å; W148-F159 HydrophobicContact CD2-CB 4.12Å; W148-F159 HydrophobicContact CE3-CB 3.77Å; W148-F159 HydrophobicContact CE3-CD1 4.48Å; W148-F159 HydrophobicContact CE3-CG 4.48Å; W148-F159 HydrophobicContact CH2-CD1 4.47Å; W148-F159 HydrophobicContact CZ3-CB 4.19Å; W148-F159 HydrophobicContact CZ3-CD1 4.05Å; W148-F159 HydrophobicContact CZ3-CG 4.43Å; W148-A174 HydrophobicContact CH2-CB 3.56Å; W148-A174 HydrophobicContact CZ3-CB 3.59Å; W148-Y197 WeakPolarHBondContact O-CB 3.35Å |
| 149 | I | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -132.9 | 39.4 | -176 | 58.3 | 157.6 | 0 | 0 | 0 | 111.6 | A158 A160 I171 Y197 A204 W216 | I149-A158 HydrophobicContact CD1-CB 4.37Å; I149-A158 HydrophobicContact CG1-CB 3.94Å; I149-A158 PolarHBondContact N-O 3.08Å; I149-A160 HydrophobicContact CD1-CB 4.4Å; I149-A160 HydrophobicContact CG2-CB 4.12Å; I149-I171 HydrophobicContact CD1-CD1 3.72Å; I149-I171 HydrophobicContact CD1-CG1 4.28Å; I149-I171 HydrophobicContact CD1-CG2 3.81Å; I149-Y197 HydrophobicContact CB-CD2 3.89Å; I149-Y197 HydrophobicContact CB-CE2 4.18Å; I149-Y197 HydrophobicContact CB-CG 4.34Å; I149-Y197 HydrophobicContact CG2-CD2 3.93Å; I149-Y197 HydrophobicContact CG2-CG 4.33Å; I149-A204 HydrophobicContact CG2-CB 4.12Å; I149-W216 HydrophobicContact CD1-CH2 3.98Å; I149-W216 HydrophobicContact CD1-CZ3 3.78Å; I149-W216 HydrophobicContact CG2-CH2 4.04Å | ||
| 150 | H | 95.7 | Very high | 95 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | trans | -137.3 | 152.7 | -179 | 79.8 | 94.6 | 0 | 0 | 0 | 110.8 | W148 D154 V156 A158 Y199 | W148-H150 AromaticContact CE3-CD2 3.67Å; W148-H150 AromaticContact CE3-NE2 3.62Å; H150-D154 HydrophobicContact CB-CB 4.37Å; H150-V156 WeakPolarHBondContact CB-O 3.22Å; H150-A158 HydrophobicContact CB-CB 4.35Å; H150-A158 PolarHBondContact CD2-O 2.6Å; H150-Y199 VanDerWaalsContact O-CE1 3.27Å; H150-Y199 WeakPolarHBondContact O-CE1 3.34Å | ||
| 151 | N | 93.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 23.2 Ų | 23.2 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | trans | -86.6 | 157.3 | 167.6 | -79.7 | -54.8 | 0 | 0 | 0 | 111.4 | A153 D154 E202 | N151-A153 PolarHBondContact O-N 3.3Å; N151-A153 VanDerWaalsContact O-N 3.11Å; N151-D154 PolarHBondContact N-OD2 3.11Å; N151-D154 WeakPolarHBondContact O-CB 3.22Å; N151-D154 PolarHBondContact O-N 3.29Å; N151-E202 WeakPolarHBondContact ND2-CG 3.42Å; N151-E202 PolarHBondContact ND2-OE1 3.2Å | ||
| 152 | P | 89 | Confident | 95.4 | Very high | 64 Ų | 64 | 22.2 Ų | 22.2 | 42% | 0.416 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.5 | -180 | -27.6 | 35.5 | 0 | 0 | 0 | 115.2 | Y109 N110 | Y109-P152 HydrophobicContact CD1-CG 3.69Å; Y109-P152 HydrophobicContact CE1-CG 4.49Å; N110-P152 HydrophobicContact CB-CB 4.31Å; N110-P152 HydrophobicContact CB-CG 4.02Å |
| 153 | A | 89.7 | Confident | 95.4 | Very high | 98 Ų | 98 | 21.5 Ų | 21.5 | 81% | 0.81 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N151 | N151-A153 PolarHBondContact O-N 3.3Å; N151-A153 VanDerWaalsContact O-N 3.11Å |
| 154 | D | 92.5 | Very high | 95.3 | Very high | 45 Ų | 45 | 25.8 Ų | 25.8 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -73.3 | 143.4 | -179.5 | -64.2 | -18.7 | 0 | 0 | 0 | 110.2 | H150 N151 V156 | H150-D154 HydrophobicContact CB-CB 4.37Å; N151-D154 PolarHBondContact N-OD2 3.11Å; N151-D154 WeakPolarHBondContact O-CB 3.22Å; N151-D154 PolarHBondContact O-N 3.29Å; D154-V156 VanDerWaalsContact C-N 3.28Å; D154-V156 PolarHBondContact O-N 2.64Å |
| 155 | A | 89.2 | Confident | 95.2 | Very high | 106 Ų | 106 | 32 Ų | 32 | 88% | 0.876 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -68.1 | -28.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 156 | V | 93 | Very high | 95.1 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -106.4 | 125.5 | -177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | H150 D154 A158 D173 L181 | H150-V156 WeakPolarHBondContact CB-O 3.22Å; D154-V156 VanDerWaalsContact C-N 3.28Å; D154-V156 PolarHBondContact O-N 2.64Å; V156-A158 HydrophobicContact CG1-CB 4.08Å; V156-A158 PolarHBondContact O-N 2.94Å; V156-D173 HydrophobicContact CG1-CB 3.85Å; V156-L181 HydrophobicContact CG1-CD1 3.76Å |
| 157 | A | 95.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | trans | -82.9 | 68.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L113 W148 D173 A174 | L113-A157 HydrophobicContact CD1-CB 3.81Å; W148-A157 HydrophobicContact CZ3-CB 4.25Å; A157-D173 PolarHBondContact N-OD1 2.85Å; A157-A174 HydrophobicContact CB-CB 3.95Å; A157-A174 WeakPolarHBondContact O-CB 3.29Å; A157-A174 PolarHBondContact O-N 3.43Å | ||
| 158 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I149 H150 V156 I171 Y172 P219 | I149-A158 HydrophobicContact CD1-CB 4.37Å; I149-A158 HydrophobicContact CG1-CB 3.94Å; I149-A158 PolarHBondContact N-O 3.08Å; H150-A158 HydrophobicContact CB-CB 4.35Å; H150-A158 PolarHBondContact CD2-O 2.6Å; V156-A158 HydrophobicContact CG1-CB 4.08Å; V156-A158 PolarHBondContact O-N 2.94Å; A158-I171 HydrophobicContact CB-CG2 4.31Å; A158-Y172 CarbonylContact C-O 3.56Å; A158-Y172 VanDerWaalsContact CA-O 3.29Å; A158-Y172 WeakPolarHBondContact CA-O 3.25Å; A158-P219 HydrophobicContact CB-CG 3.69Å |
| 159 | F | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.5 | 171.4 | 67.8 | -79.2 | 0 | 0 | 0 | 111 | Y115 I123 I125 F137 S147 W148 V161 I171 Y172 A174 | Y115-F159 HydrophobicContact CD1-CB 4.33Å; Y115-F159 HydrophobicContact CD1-CD2 4.01Å; Y115-F159 HydrophobicContact CD1-CG 4.18Å; Y115-F159 HydrophobicContact CE1-CB 4.09Å; Y115-F159 HydrophobicContact CE1-CD2 4.08Å; Y115-F159 HydrophobicContact CE1-CG 4.31Å; I123-F159 HydrophobicContact CD1-CE2 3.84Å; I123-F159 HydrophobicContact CD1-CZ 4.44Å; I123-F159 HydrophobicContact CG2-CE2 4.13Å; I123-F159 HydrophobicContact CG2-CZ 4.23Å; I125-F159 HydrophobicContact CD1-CE1 4.08Å; I125-F159 HydrophobicContact CD1-CZ 4.02Å; F137-F159 HydrophobicContact CD2-CZ 4.09Å; F137-F159 HydrophobicContact CE2-CE1 4.09Å; F137-F159 AromaticContact CE2-CZ 3.83Å; F137-F159 HydrophobicContact CE2-CZ 3.83Å; S147-F159 CarbonylContact O-C 3.51Å; S147-F159 VanDerWaalsContact O-CA 3.28Å; S147-F159 WeakPolarHBondContact O-CA 3.32Å; S147-F159 WeakPolarHBondContact O-CB 3.31Å; W148-F159 HydrophobicContact CD2-CB 4.12Å; W148-F159 HydrophobicContact CE3-CB 3.77Å; W148-F159 HydrophobicContact CE3-CD1 4.48Å; W148-F159 HydrophobicContact CE3-CG 4.48Å; W148-F159 HydrophobicContact CH2-CD1 4.47Å; W148-F159 HydrophobicContact CZ3-CB 4.19Å; W148-F159 HydrophobicContact CZ3-CD1 4.05Å; W148-F159 HydrophobicContact CZ3-CG 4.43Å; F159-V161 HydrophobicContact CD2-CG2 3.68Å; F159-V161 HydrophobicContact CE2-CG2 3.51Å; F159-I171 WeakPolarHBondContact O-CA 3.31Å; F159-Y172 WeakPolarHBondContact CD1-O 3.37Å; F159-Y172 HydrophobicContact CE2-CD2 4.2Å; F159-Y172 HydrophobicContact CE2-CG 4.5Å; F159-Y172 VanDerWaalsContact CZ-CB 3.49Å; F159-Y172 HydrophobicContact CZ-CD2 4.33Å; F159-Y172 HydrophobicContact CZ-CG 4.18Å; F159-Y172 PolarHBondContact N-O 2.54Å; F159-Y172 PolarHBondContact O-N 3.35Å; F159-A174 HydrophobicContact CD1-CB 4.1Å; F159-A174 HydrophobicContact CE1-CB 4.04Å |
| 160 | A | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G146 S147 I149 I169 R170 I171 I195 W216 | G146-A160 CarbonylContact C-O 3.46Å; G146-A160 WeakPolarHBondContact CA-O 3.39Å; S147-A160 PolarHBondContact N-O 2.85Å; S147-A160 PolarHBondContact O-N 3.32Å; I149-A160 HydrophobicContact CD1-CB 4.4Å; I149-A160 HydrophobicContact CG2-CB 4.12Å; A160-I169 HydrophobicContact CB-CG2 4.01Å; A160-R170 CarbonylContact C-O 3.57Å; A160-R170 WeakPolarHBondContact CA-O 3.34Å; A160-I171 HydrophobicContact CB-CD1 3.5Å; A160-I195 HydrophobicContact CB-CD1 4.11Å; A160-I195 HydrophobicContact CB-CG2 4.43Å; A160-W216 HydrophobicContact CB-CH2 3.75Å; A160-W216 HydrophobicContact CB-CZ2 4.28Å |
| 161 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 119 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | M117 I123 Y141 P143 T145 F159 I169 R170 Y172 | M117-V161 HydrophobicContact CE-CG1 4.31Å; M117-V161 HydrophobicContact CE-CG2 4.28Å; I123-V161 HydrophobicContact CD1-CB 4.49Å; I123-V161 HydrophobicContact CD1-CG1 4.14Å; I123-V161 HydrophobicContact CD1-CG2 3.58Å; Y141-V161 HydrophobicContact CE2-CG1 4.04Å; P143-V161 HydrophobicContact CB-CG1 3.64Å; T145-V161 WeakPolarHBondContact O-CA 3.39Å; F159-V161 HydrophobicContact CD2-CG2 3.68Å; F159-V161 HydrophobicContact CE2-CG2 3.51Å; V161-I169 WeakPolarHBondContact O-CA 3.47Å; V161-R170 PolarHBondContact N-O 3.46Å; V161-R170 PolarHBondContact O-N 2.99Å; V161-Y172 HydrophobicContact CB-CD2 4.3Å; V161-Y172 HydrophobicContact CB-CE2 4.03Å; V161-Y172 HydrophobicContact CG2-CD2 3.74Å; V161-Y172 HydrophobicContact CG2-CE2 3.9Å |
| 162 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S144 T145 V192 I195 | S144-A162 PolarHBondContact N-O 3.09Å; T145-A162 HydrophobicContact CG2-CB 3.64Å; T145-A162 PolarHBondContact O-N 2.74Å; A162-V192 HydrophobicContact CB-CB 3.77Å; A162-V192 HydrophobicContact CB-CG1 4.1Å; A162-V192 WeakPolarHBondContact CB-O 3.21Å; A162-I195 HydrophobicContact CB-CD1 4.29Å |
| 163 | E | 96.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.5 | 174.4 | -57.9 | -173.9 | 179.5 | 0 | 0 | 110.9 | Y141 S166 S168 R170 | Y141-E163 HydrophobicContact CD1-CG 4.14Å; Y141-E163 HydrophobicContact CD2-CB 3.91Å; Y141-E163 HydrophobicContact CD2-CG 3.6Å; Y141-E163 HydrophobicContact CE1-CG 4.17Å; Y141-E163 HydrophobicContact CE2-CB 4.22Å; Y141-E163 HydrophobicContact CE2-CG 3.59Å; Y141-E163 HydrophobicContact CG-CB 4.36Å; Y141-E163 HydrophobicContact CG-CG 3.88Å; E163-S166 VanDerWaalsContact OE2-CB 3.31Å; E163-S166 WeakPolarHBondContact OE2-CB 3.39Å; E163-S166 PolarHBondContact OE2-OG 2.73Å; E163-S168 PolarHBondContact N-O 2.85Å; E163-S168 VanDerWaalsContact N-O 3.1Å; E163-R170 IonicContact OE1-CZ 3.46Å; E163-R170 IonicContact OE1-NE 2.73Å; E163-R170 PolarHBondContact OE1-NE 3.26Å; E163-R170 IonicContact OE1-NH2 3.57Å; E163-R170 PolarHBondContact OE1-NH2 2.97Å |
| 164 | R | 94.8 | Very high | 96 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 146.1 | 169.7 | -173.3 | 178.7 | -69.4 | -175.1 | -2.9 | 110.5 | T103 V142 S166 | T103-R164 VanDerWaalsContact CG2-NH2 3.34Å; V142-R164 HydrophobicContact CB-CB 4.1Å; V142-R164 HydrophobicContact CG1-CB 4.04Å; V142-R164 WeakPolarHBondContact O-CB 3.27Å; V142-R164 PolarHBondContact O-N 2.87Å; R164-S166 PolarHBondContact O-N 2.62Å; R164-S166 VanDerWaalsContact O-N 3.11Å |
| 165 | D | 93.3 | Very high | 96 | Very high | 151 Ų | 151 | 36.7 Ų | 36.7 | 81% | 0.807 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 20.3 | 179.4 | -55.5 | -53.2 | 0 | 0 | 0 | 113.8 | E191 | D165-E191 PolarHBondContact N-OE2 3.21Š|
| 166 | S | 94.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 21% | 0.21 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -145.3 | 154 | -174.2 | 167.8 | 0 | 0 | 0 | 0 | 109.4 | E163 R164 S168 E191 | E163-S166 VanDerWaalsContact OE2-CB 3.31Å; E163-S166 WeakPolarHBondContact OE2-CB 3.39Å; E163-S166 PolarHBondContact OE2-OG 2.73Å; R164-S166 PolarHBondContact O-N 2.62Å; R164-S166 VanDerWaalsContact O-N 3.11Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 WeakPolarHBondContact OG-CB 3.47Å; S166-S168 PolarHBondContact OG-N 2.96Å; S166-S168 PolarHBondContact OG-OG 3.01Å; S166-E191 VanDerWaalsContact O-CA 3.25Å; S166-E191 WeakPolarHBondContact O-CA 3.48Å |
| 167 | V | 96.4 | Very high | 96 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -88.6 | -2.1 | 178.5 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | E185 H188 | V167-E185 WeakPolarHBondContact CG2-O 3.36Å; V167-H188 VanDerWaalsContact CB-O 3.32Å; V167-H188 WeakPolarHBondContact CB-O 3.37Å; V167-H188 WeakPolarHBondContact CG1-O 3.38Å |
| 168 | S | 97.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 36 Ų | 36 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | trans | -82.2 | 143.6 | -168.5 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | E163 S166 F184 | E163-S168 PolarHBondContact N-O 2.85Å; E163-S168 VanDerWaalsContact N-O 3.1Å; S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 WeakPolarHBondContact OG-CB 3.47Å; S166-S168 PolarHBondContact OG-N 2.96Å; S166-S168 PolarHBondContact OG-OG 3.01Å; S168-F184 WeakPolarHBondContact CA-O 3.33Å | ||
| 169 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126 | 168 | -58.4 | 160.3 | 0 | 0 | 0 | 108 | A160 V161 I171 F184 V192 I195 | A160-I169 HydrophobicContact CB-CG2 4.01Å; V161-I169 WeakPolarHBondContact O-CA 3.47Å; I169-I171 HydrophobicContact CG2-CD1 4.1Å; I169-F184 HydrophobicContact CB-CB 4.2Å; I169-F184 HydrophobicContact CB-CD2 4.12Å; I169-F184 HydrophobicContact CG2-CD2 4.32Å; I169-F184 PolarHBondContact N-O 3.04Å; I169-F184 PolarHBondContact O-N 2.78Å; I169-V192 HydrophobicContact CD1-CG1 4.29Å; I169-V192 HydrophobicContact CD1-CG2 3.97Å; I169-V192 HydrophobicContact CG1-CB 4.31Å; I169-V192 HydrophobicContact CG1-CG1 4.42Å; I169-V192 HydrophobicContact CG1-CG2 3.97Å; I169-I195 HydrophobicContact CD1-CD1 4.37Å; I169-I195 HydrophobicContact CG1-CD1 4.32Å; I169-I195 HydrophobicContact CG2-CD1 4.02Å |
| 170 | R | 97.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 18% | 0.177 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.6 | 175.6 | -59.8 | -160.9 | -172.9 | -178.7 | 13.6 | 111.1 | D140 A160 V161 E163 Y172 P180 V183 | D140-R170 IonicContact OD1-NH1 3.52Å; D140-R170 IonicContact OD2-NH1 3.58Å; D140-R170 IonicContact OD2-NH2 3.94Å; A160-R170 CarbonylContact C-O 3.57Å; A160-R170 WeakPolarHBondContact CA-O 3.34Å; V161-R170 PolarHBondContact N-O 3.46Å; V161-R170 PolarHBondContact O-N 2.99Å; E163-R170 IonicContact OE1-CZ 3.46Å; E163-R170 IonicContact OE1-NE 2.73Å; E163-R170 PolarHBondContact OE1-NE 3.26Å; E163-R170 IonicContact OE1-NH2 3.57Å; E163-R170 PolarHBondContact OE1-NH2 2.97Å; R170-Y172 HydrophobicContact CB-CD2 4.37Å; R170-Y172 HydrophobicContact CB-CE2 3.54Å; R170-Y172 VanDerWaalsContact CD-OH 3.31Å; R170-Y172 WeakPolarHBondContact CD-OH 3.43Å; R170-P180 HydrophobicContact CB-CB 4.28Å; R170-V183 HydrophobicContact CG-CG1 4.12Å; R170-V183 HydrophobicContact CG-CG2 3.98Å |
| 171 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.6 | 178.3 | -51.4 | -50.2 | 0 | 0 | 0 | 109 | I149 A158 F159 A160 I169 P180 L181 H182 F184 W216 Y223 | I149-I171 HydrophobicContact CD1-CD1 3.72Å; I149-I171 HydrophobicContact CD1-CG1 4.28Å; I149-I171 HydrophobicContact CD1-CG2 3.81Å; A158-I171 HydrophobicContact CB-CG2 4.31Å; F159-I171 WeakPolarHBondContact O-CA 3.31Å; A160-I171 HydrophobicContact CB-CD1 3.5Å; I169-I171 HydrophobicContact CG2-CD1 4.1Å; I171-P180 CarbonylContact O-C 3.58Å; I171-P180 VanDerWaalsContact O-CA 3.25Å; I171-P180 WeakPolarHBondContact O-CA 3.37Å; I171-L181 HydrophobicContact CG2-CB 4.45Å; I171-L181 HydrophobicContact CG2-CD1 4.37Å; I171-L181 PolarHBondContact O-N 2.91Å; I171-H182 HydrophobicContact CB-CB 4.23Å; I171-H182 HydrophobicContact CG1-CB 4.16Å; I171-H182 PolarHBondContact N-O 3.14Å; I171-F184 HydrophobicContact CD1-CD2 4.49Å; I171-F184 HydrophobicContact CD1-CE2 4.17Å; I171-F184 HydrophobicContact CG1-CE2 4.17Å; I171-W216 HydrophobicContact CD1-CH2 3.79Å; I171-W216 HydrophobicContact CD1-CZ3 3.97Å; I171-Y223 HydrophobicContact CB-CE1 4.38Å; I171-Y223 HydrophobicContact CG1-CD1 4.44Å; I171-Y223 HydrophobicContact CG1-CE1 3.97Å; I171-Y223 HydrophobicContact CG2-CE1 4.19Å |
| 172 | Y | 97.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 157 | 178.7 | -62 | -85.9 | 0 | 0 | 0 | 110.8 | L139 Y141 A158 F159 V161 R170 G178 P180 | L139-Y172 HydrophobicContact CD2-CE2 4.46Å; Y141-Y172 WeakPolarHBondContact OH-CE2 3.25Å; Y141-Y172 PolarHBondContact OH-OH 3.39Å; A158-Y172 CarbonylContact C-O 3.56Å; A158-Y172 VanDerWaalsContact CA-O 3.29Å; A158-Y172 WeakPolarHBondContact CA-O 3.25Å; F159-Y172 WeakPolarHBondContact CD1-O 3.37Å; F159-Y172 HydrophobicContact CE2-CD2 4.2Å; F159-Y172 HydrophobicContact CE2-CG 4.5Å; F159-Y172 VanDerWaalsContact CZ-CB 3.49Å; F159-Y172 HydrophobicContact CZ-CD2 4.33Å; F159-Y172 HydrophobicContact CZ-CG 4.18Å; F159-Y172 PolarHBondContact N-O 2.54Å; F159-Y172 PolarHBondContact O-N 3.35Å; V161-Y172 HydrophobicContact CB-CD2 4.3Å; V161-Y172 HydrophobicContact CB-CE2 4.03Å; V161-Y172 HydrophobicContact CG2-CD2 3.74Å; V161-Y172 HydrophobicContact CG2-CE2 3.9Å; R170-Y172 HydrophobicContact CB-CD2 4.37Å; R170-Y172 HydrophobicContact CB-CE2 3.54Å; R170-Y172 VanDerWaalsContact CD-OH 3.31Å; R170-Y172 WeakPolarHBondContact CD-OH 3.43Å; Y172-G178 VanDerWaalsContact CE1-O 3.3Å; Y172-G178 WeakPolarHBondContact CE1-O 3.4Å; Y172-P180 HydrophobicContact CD1-CB 4.31Å; Y172-P180 HydrophobicContact CE1-CB 3.87Å; Y172-P180 HydrophobicContact CE1-CG 4.48Å |
| 173 | D | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.5 | 163.2 | -178.3 | 4.1 | 0 | 0 | 0 | 109.3 | F137 V156 A157 R175 G176 L181 | F137-D173 WeakPolarHBondContact CZ-O 3.46Å; V156-D173 HydrophobicContact CG1-CB 3.85Å; A157-D173 PolarHBondContact N-OD1 2.85Å; D173-R175 PolarHBondContact O-N 3.39Å; D173-R175 VanDerWaalsContact O-N 3.16Å; D173-R175 PolarHBondContact OD1-N 3.17Å; D173-G176 PolarHBondContact O-N 3.45Å; D173-L181 HydrophobicContact CB-CD1 4.1Å; D173-L181 HydrophobicContact CB-CD2 4.45Å; D173-L181 HydrophobicContact CB-CG 4.5Å |
| 174 | A | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I125 N135 W148 A157 F159 | I125-A174 HydrophobicContact CD1-CB 4.32Å; I125-A174 HydrophobicContact CG1-CB 4.3Å; I125-A174 HydrophobicContact CG2-CB 3.95Å; N135-A174 WeakPolarHBondContact CB-O 3.36Å; N135-A174 PolarHBondContact ND2-O 3.41Å; W148-A174 HydrophobicContact CH2-CB 3.56Å; W148-A174 HydrophobicContact CZ3-CB 3.59Å; A157-A174 HydrophobicContact CB-CB 3.95Å; A157-A174 WeakPolarHBondContact O-CB 3.29Å; A157-A174 PolarHBondContact O-N 3.43Å; F159-A174 HydrophobicContact CD1-CB 4.1Å; F159-A174 HydrophobicContact CE1-CB 4.04Å |
| 175 | R | 93.7 | Very high | 95.2 | Very high | 173 Ų | 173 | 56.3 Ų | 56.3 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 6 | 176.2 | -61.5 | 179 | -177.9 | 161.1 | -0.9 | 113.2 | D173 | D173-R175 PolarHBondContact O-N 3.39Å; D173-R175 VanDerWaalsContact O-N 3.16Å; D173-R175 PolarHBondContact OD1-N 3.17Å |
| 176 | G | 91.8 | Very high | 95.2 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.9 | -173.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N135 F137 D173 G178 | N135-G176 PolarHBondContact ND2-O 3.1Å; F137-G176 WeakPolarHBondContact CE1-O 3.06Å; D173-G176 PolarHBondContact O-N 3.45Å; G176-G178 VanDerWaalsContact C-N 3.33Å |
| 177 | S | 89 | Confident | 95 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | trans | -79.3 | -9.6 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 178 | G | 89.1 | Confident | 95.1 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 94.6 | -0.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | F137 Y172 G176 | F137-G178 VanDerWaalsContact CE1-N 3.3Å; Y172-G178 VanDerWaalsContact CE1-O 3.3Å; Y172-G178 WeakPolarHBondContact CE1-O 3.4Å; G176-G178 VanDerWaalsContact C-N 3.33Å |
| 179 | E | 93.8 | Very high | 95 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | trans | -77 | 138.8 | 167 | -66.9 | -61.4 | 147.2 | 0 | 0 | 110.2 | L181 | E179-L181 PolarHBondContact O-N 3.26Š| ||
| 180 | P | 95.5 | Very high | 94.9 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | trans | -68.5 | 131.9 | 178.5 | 28.2 | -33.3 | 0 | 0 | 0 | 110.9 | R170 I171 Y172 H182 V183 | R170-P180 HydrophobicContact CB-CB 4.28Å; I171-P180 CarbonylContact O-C 3.58Å; I171-P180 VanDerWaalsContact O-CA 3.25Å; I171-P180 WeakPolarHBondContact O-CA 3.37Å; Y172-P180 HydrophobicContact CD1-CB 4.31Å; Y172-P180 HydrophobicContact CE1-CB 3.87Å; Y172-P180 HydrophobicContact CE1-CG 4.48Å; P180-H182 VanDerWaalsContact C-N 3.3Å; P180-V183 HydrophobicContact CB-CG2 3.98Å; P180-V183 HydrophobicContact CG-CG2 4.04Å | ||
| 181 | L | 96 | Very high | 94.8 | Very high | 82 Ų | 82 | 64.2 Ų | 64.2 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -67.6 | -33 | 171.5 | -58.5 | 179.6 | 0 | 0 | 0 | 112 | V156 I171 D173 E179 | V156-L181 HydrophobicContact CG1-CD1 3.76Å; I171-L181 HydrophobicContact CG2-CB 4.45Å; I171-L181 HydrophobicContact CG2-CD1 4.37Å; I171-L181 PolarHBondContact O-N 2.91Å; D173-L181 HydrophobicContact CB-CD1 4.1Å; D173-L181 HydrophobicContact CB-CD2 4.45Å; D173-L181 HydrophobicContact CB-CG 4.5Å; E179-L181 PolarHBondContact O-N 3.26Å |
| 182 | H | 97.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 153.3 | -179.4 | -169.2 | 68.6 | 0 | 0 | 0 | 110.6 | I171 P180 F184 Y223 | I171-H182 HydrophobicContact CB-CB 4.23Å; I171-H182 HydrophobicContact CG1-CB 4.16Å; I171-H182 PolarHBondContact N-O 3.14Å; P180-H182 VanDerWaalsContact C-N 3.3Å; H182-F184 AromaticContact CD2-CD2 3.97Å; H182-F184 AromaticContact CD2-CE2 3.87Å; H182-F184 AromaticContact CD2-CZ 3.97Å; H182-F184 AromaticContact NE2-CD1 3.92Å; H182-F184 AromaticContact NE2-CE1 3.89Å; H182-Y223 HydrophobicContact CB-CD1 4.41Å; H182-Y223 HydrophobicContact CB-CD2 3.93Å; H182-Y223 HydrophobicContact CB-CE1 3.99Å; H182-Y223 HydrophobicContact CB-CE2 3.46Å; H182-Y223 VanDerWaalsContact CB-CE2 3.46Å; H182-Y223 HydrophobicContact CB-CG 4.37Å; H182-Y223 VanDerWaalsContact CB-CZ 3.47Å; H182-Y223 AromaticContact CD2-CD2 3.73Å; H182-Y223 AromaticContact CD2-CG 3.65Å; H182-Y223 AromaticContact CG-CD2 3.52Å; H182-Y223 AromaticContact CG-CE2 3.59Å; H182-Y223 AromaticContact CG-CG 3.9Å; H182-Y223 AromaticContact ND1-CD2 3.73Å; H182-Y223 AromaticContact ND1-CE2 3.93Å |
| 183 | V | 97.4 | Very high | 94.7 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 119.8 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 109 | R170 P180 E185 | R170-V183 HydrophobicContact CG-CG1 4.12Å; R170-V183 HydrophobicContact CG-CG2 3.98Å; P180-V183 HydrophobicContact CB-CG2 3.98Å; P180-V183 HydrophobicContact CG-CG2 4.04Å; V183-E185 HydrophobicContact CG1-CG 4.11Å |
| 184 | F | 97.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 108.1 | 167.7 | -66.7 | -78.8 | 0 | 0 | 0 | 109 | S168 I169 I171 H182 M187 W216 Y223 | S168-F184 WeakPolarHBondContact CA-O 3.33Å; I169-F184 HydrophobicContact CB-CB 4.2Å; I169-F184 HydrophobicContact CB-CD2 4.12Å; I169-F184 HydrophobicContact CG2-CD2 4.32Å; I169-F184 PolarHBondContact N-O 3.04Å; I169-F184 PolarHBondContact O-N 2.78Å; I171-F184 HydrophobicContact CD1-CD2 4.49Å; I171-F184 HydrophobicContact CD1-CE2 4.17Å; I171-F184 HydrophobicContact CG1-CE2 4.17Å; H182-F184 AromaticContact CD2-CD2 3.97Å; H182-F184 AromaticContact CD2-CE2 3.87Å; H182-F184 AromaticContact CD2-CZ 3.97Å; H182-F184 AromaticContact NE2-CD1 3.92Å; H182-F184 AromaticContact NE2-CE1 3.89Å; F184-M187 HydrophobicContact CB-CB 4.36Å; F184-M187 HydrophobicContact CB-CG 3.59Å; F184-M187 HydrophobicContact CD1-CG 3.4Å; F184-M187 HydrophobicContact CD1-SD 3.92Å; F184-M187 HydrophobicContact CE1-CG 4.21Å; F184-M187 HydrophobicContact CE1-SD 4.27Å; F184-M187 HydrophobicContact CG-CG 3.73Å; F184-W216 HydrophobicContact CE2-CD2 4.07Å; F184-W216 AromaticContact CE2-CE3 3.56Å; F184-W216 HydrophobicContact CE2-CE3 3.56Å; F184-W216 HydrophobicContact CE2-CH2 4.2Å; F184-W216 AromaticContact CE2-CZ3 3.65Å; F184-W216 HydrophobicContact CE2-CZ3 3.65Å; F184-W216 HydrophobicContact CZ-CB 4.46Å; F184-W216 AromaticContact CZ-CD2 3.95Å; F184-W216 HydrophobicContact CZ-CD2 3.95Å; F184-W216 AromaticContact CZ-CE3 3.49Å; F184-W216 HydrophobicContact CZ-CE3 3.49Å; F184-W216 VanDerWaalsContact CZ-CE3 3.49Å; F184-W216 HydrophobicContact CZ-CG 4.38Å; F184-W216 HydrophobicContact CZ-CZ3 4.04Å; F184-Y223 HydrophobicContact CE2-CD1 4.32Å; F184-Y223 HydrophobicContact CZ-CD1 4.12Å; F184-Y223 HydrophobicContact CZ-CG 4.19Å |
| 185 | E | 94.7 | Very high | 94.9 | Very high | 132 Ų | 132 | 64.4 Ų | 64.4 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -87.3 | -22.6 | -176.8 | -64.2 | -174.4 | 175.4 | 0 | 0 | 114.4 | V167 V183 | V167-E185 WeakPolarHBondContact CG2-O 3.36Å; V183-E185 HydrophobicContact CG1-CG 4.11Å |
| 186 | K | 91.9 | Very high | 95.1 | Very high | 183 Ų | 183 | 58.1 Ų | 58.1 | 80% | 0.796 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -144.9 | 30.2 | -168.5 | -63.7 | -175.2 | -177.2 | 172.7 | 0 | 114.1 | ||
| 187 | M | 92.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 57.3 Ų | 57.3 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -70.1 | -35.2 | 177.8 | -77.1 | -68.3 | -70.9 | 0 | 0 | 112.5 | F184 E214 W216 | F184-M187 HydrophobicContact CB-CB 4.36Å; F184-M187 HydrophobicContact CB-CG 3.59Å; F184-M187 HydrophobicContact CD1-CG 3.4Å; F184-M187 HydrophobicContact CD1-SD 3.92Å; F184-M187 HydrophobicContact CE1-CG 4.21Å; F184-M187 HydrophobicContact CE1-SD 4.27Å; F184-M187 HydrophobicContact CG-CG 3.73Å; M187-E214 HydrophobicContact CE-CB 4.25Å; M187-W216 HydrophobicContact CE-CB 3.97Å; M187-W216 HydrophobicContact CE-CG 4.14Å |
| 188 | H | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | trans | -121.2 | 152.8 | -178.2 | -72.4 | -89.8 | 0 | 0 | 0 | 111.5 | V167 K190 V192 S206 D208 M212 E214 | V167-H188 VanDerWaalsContact CB-O 3.32Å; V167-H188 WeakPolarHBondContact CB-O 3.37Å; V167-H188 WeakPolarHBondContact CG1-O 3.38Å; H188-K190 VanDerWaalsContact C-N 3.35Å; H188-K190 WeakPolarHBondContact CB-O 3.49Å; H188-V192 HydrophobicContact CB-CG2 3.89Å; H188-V192 WeakPolarHBondContact CD2-CG2 3.42Å; H188-S206 PolarHBondContact CE1-O 3.25Å; H188-S206 PolarHBondContact NE2-OG 2.84Å; H188-D208 HydrophobicContact CB-CB 4.03Å; H188-D208 IonicContact ND1-OD2 3.82Å; H188-M212 PolarHBondContact CE1-O 3.1Å; H188-M212 VanDerWaalsContact CE1-O 3.29Å; H188-M212 PolarHBondContact ND1-O 3.22Å; H188-E214 WeakPolarHBondContact CE1-CG 3.36Å; H188-E214 WeakPolarHBondContact NE2-CG 3.47Å | ||
| 189 | P | 95.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 53.5 Ų | 53.5 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -78 | -18.6 | 172.9 | 31.7 | -36.7 | 0 | 0 | 0 | 113.4 | D208 I210 M212 | P189-D208 WeakPolarHBondContact CD-OD2 3.17Å; P189-D208 VanDerWaalsContact CG-OD2 3.22Å; P189-D208 WeakPolarHBondContact CG-OD2 3.39Å; P189-I210 HydrophobicContact CG-CD1 3.75Å; P189-I210 HydrophobicContact CG-CG1 4.45Å; P189-M212 HydrophobicContact CG-CB 4.48Å |
| 190 | K | 96 | Very high | 96.1 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 50% | 0.496 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -136.6 | 174.9 | -179.8 | -73.1 | -65.2 | -173.4 | 177 | 0 | 112.1 | H188 V192 D208 I210 | H188-K190 VanDerWaalsContact C-N 3.35Å; H188-K190 WeakPolarHBondContact CB-O 3.49Å; K190-V192 PolarHBondContact O-N 3.11Å; K190-D208 HydrophobicContact CB-CB 4.29Å; K190-D208 PolarHBondContact N-OD2 2.83Å; K190-I210 HydrophobicContact CB-CG1 4.35Å; K190-I210 HydrophobicContact CB-CG2 4.35Å; K190-I210 HydrophobicContact CG-CD1 4.25Å; K190-I210 HydrophobicContact CG-CG1 4.25Å; K190-I210 HydrophobicContact CG-CG2 3.82Å |
| 191 | E | 95.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | trans | -55.5 | 130.4 | 178.2 | 174 | -179 | 155.4 | 0 | 0 | 111.1 | S144 D165 S166 D208 Q209 | S144-E191 VanDerWaalsContact CB-OE1 3.25Å; S144-E191 WeakPolarHBondContact CB-OE1 3.35Å; S144-E191 PolarHBondContact OG-OE1 2.89Å; D165-E191 PolarHBondContact N-OE2 3.21Å; S166-E191 VanDerWaalsContact O-CA 3.25Å; S166-E191 WeakPolarHBondContact O-CA 3.48Å; E191-D208 CarbonylContact O-C 3.6Å; E191-D208 VanDerWaalsContact O-CA 3.27Å; E191-D208 WeakPolarHBondContact O-CA 3.35Å; E191-D208 WeakPolarHBondContact O-CB 3.32Å; E191-Q209 HydrophobicContact CB-CG 4.26Å; E191-Q209 WeakPolarHBondContact O-CG 3.46Å; E191-Q209 PolarHBondContact O-N 3.13Å; E191-Q209 PolarHBondContact OE1-NE2 3.12Å; E191-Q209 PolarHBondContact OE2-NE2 2.79Å; E191-Q209 VanDerWaalsContact OE2-NE2 3.15Å | ||
| 192 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.8 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | T145 A162 I169 H188 K190 I195 | T145-V192 HydrophobicContact CG2-CG1 4.49Å; A162-V192 HydrophobicContact CB-CB 3.77Å; A162-V192 HydrophobicContact CB-CG1 4.1Å; A162-V192 WeakPolarHBondContact CB-O 3.21Å; I169-V192 HydrophobicContact CD1-CG1 4.29Å; I169-V192 HydrophobicContact CD1-CG2 3.97Å; I169-V192 HydrophobicContact CG1-CB 4.31Å; I169-V192 HydrophobicContact CG1-CG1 4.42Å; I169-V192 HydrophobicContact CG1-CG2 3.97Å; H188-V192 HydrophobicContact CB-CG2 3.89Å; H188-V192 WeakPolarHBondContact CD2-CG2 3.42Å; K190-V192 PolarHBondContact O-N 3.11Å; V192-I195 HydrophobicContact CG1-CD1 4.1Å; V192-I195 HydrophobicContact CG1-CG1 3.75Å |
| 193 | C | 96.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -18.5 | -176.8 | 64 | 0 | 0 | 0 | 0 | 113.6 | T145 I207 D208 Q209 | T145-C193 VanDerWaalsContact CB-O 3.32Å; T145-C193 WeakPolarHBondContact CB-O 3.49Å; T145-C193 WeakPolarHBondContact CG2-O 3.24Å; T145-C193 PolarHBondContact OG1-O 3.47Å; C193-I207 PolarHBondContact N-O 3.49Å; C193-D208 VanDerWaalsContact SG-C 3.6Å; C193-Q209 HydrophobicContact CB-CG 4.06Å |
| 194 | L | 98.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.9 | 174.8 | -60.7 | 172.2 | 0 | 0 | 0 | 111.4 | S206 I207 P250 L253 | L194-S206 CarbonylContact O-C 3.57Å; L194-S206 VanDerWaalsContact O-CA 3.26Å; L194-S206 WeakPolarHBondContact O-CA 3.41Å; L194-I207 HydrophobicContact CB-CB 4.27Å; L194-I207 HydrophobicContact CB-CG1 4.46Å; L194-I207 HydrophobicContact CD1-CD1 4.32Å; L194-I207 PolarHBondContact N-O 3.46Å; L194-I207 VanDerWaalsContact N-O 3.09Å; L194-I207 PolarHBondContact O-N 3.1Å; L194-P250 HydrophobicContact CD1-CB 3.69Å; L194-P250 HydrophobicContact CD1-CG 4.17Å; L194-L253 HydrophobicContact CB-CB 4.22Å; L194-L253 HydrophobicContact CD1-CB 3.98Å |
| 195 | I | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.4 | 167.9 | -52 | 178.2 | 0 | 0 | 0 | 106.7 | T145 S147 A160 A162 I169 V192 I205 W216 | T145-I195 HydrophobicContact CG2-CD1 4.43Å; T145-I195 HydrophobicContact CG2-CG1 4.12Å; S147-I195 WeakPolarHBondContact CB-O 3.46Å; A160-I195 HydrophobicContact CB-CD1 4.11Å; A160-I195 HydrophobicContact CB-CG2 4.43Å; A162-I195 HydrophobicContact CB-CD1 4.29Å; I169-I195 HydrophobicContact CD1-CD1 4.37Å; I169-I195 HydrophobicContact CG1-CD1 4.32Å; I169-I195 HydrophobicContact CG2-CD1 4.02Å; V192-I195 HydrophobicContact CG1-CD1 4.1Å; V192-I195 HydrophobicContact CG1-CG1 3.75Å; I195-I205 CarbonylContact C-O 3.38Å; I195-I205 WeakPolarHBondContact CA-O 3.49Å; I195-W216 HydrophobicContact CG2-CZ2 4.02Å |
| 196 | E | 98 | Very high | 96.4 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.4 | 169.5 | -76.5 | -64.9 | 163.9 | 0 | 0 | 110 | A204 I205 L253 I255 K327 | E196-A204 WeakPolarHBondContact O-CA 3.31Å; E196-I205 PolarHBondContact N-O 2.67Å; E196-I205 PolarHBondContact O-N 3.18Å; E196-L253 HydrophobicContact CB-CD2 3.73Å; E196-L253 HydrophobicContact CB-CG 3.89Å; E196-L253 HydrophobicContact CG-CB 4.11Å; E196-L253 HydrophobicContact CG-CD2 4.04Å; E196-L253 HydrophobicContact CG-CG 3.84Å; E196-L253 VanDerWaalsContact CG-O 3.29Å; E196-L253 WeakPolarHBondContact CG-O 3.38Å; E196-I255 HydrophobicContact CB-CD1 3.83Å; E196-I255 HydrophobicContact CB-CG1 4.22Å; E196-K327 IonicContact OE1-NZ 2.99Å |
| 197 | Y | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123 | -176.6 | -170.9 | -109.7 | 0 | 0 | 0 | 112.5 | W148 I149 Y199 E202 A204 | W148-Y197 WeakPolarHBondContact O-CB 3.35Å; I149-Y197 HydrophobicContact CB-CD2 3.89Å; I149-Y197 HydrophobicContact CB-CE2 4.18Å; I149-Y197 HydrophobicContact CB-CG 4.34Å; I149-Y197 HydrophobicContact CG2-CD2 3.93Å; I149-Y197 HydrophobicContact CG2-CG 4.33Å; Y197-Y199 AromaticContact CD1-CD1 3.43Å; Y197-Y199 HydrophobicContact CD1-CD1 3.43Å; Y197-Y199 VanDerWaalsContact CD1-CD1 3.43Å; Y197-Y199 HydrophobicContact CD1-CD2 4.23Å; Y197-Y199 AromaticContact CD1-CE1 3.45Å; Y197-Y199 HydrophobicContact CD1-CE1 3.45Å; Y197-Y199 VanDerWaalsContact CD1-CE1 3.45Å; Y197-Y199 HydrophobicContact CD1-CE2 4.27Å; Y197-Y199 AromaticContact CD1-CG 3.83Å; Y197-Y199 HydrophobicContact CD1-CG 3.83Å; Y197-Y199 AromaticContact CD1-CZ 3.9Å; Y197-Y199 AromaticContact CE1-CD1 3.72Å; Y197-Y199 HydrophobicContact CE1-CD1 3.72Å; Y197-Y199 HydrophobicContact CE1-CE1 4.03Å; Y197-Y199 HydrophobicContact CE1-CG 4.28Å; Y197-Y199 HydrophobicContact CG-CE1 4.5Å; Y197-Y199 WeakPolarHBondContact O-CD2 3.49Å; Y197-Y199 VanDerWaalsContact O-CE2 3.26Å; Y197-Y199 WeakPolarHBondContact O-CE2 3.41Å; Y197-Y199 PolarHBondContact O-N 2.82Å; Y197-E202 VanDerWaalsContact OH-CA 3.23Å; Y197-E202 WeakPolarHBondContact OH-CA 3.49Å; Y197-E202 WeakPolarHBondContact OH-CB 3.19Å; Y197-A204 HydrophobicContact CD2-CB 4.01Å |
| 198 | N | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 90.2 | 172.8 | -166.7 | -23.4 | 0 | 0 | 0 | 109.8 | A200 F201 E202 T203 I255 G259 F276 | N198-A200 VanDerWaalsContact C-N 3.26Å; N198-A200 PolarHBondContact O-N 3.28Å; N198-A200 PolarHBondContact OD1-N 3.44Å; N198-F201 CarbonylContact O-C 3.58Å; N198-F201 PolarHBondContact O-N 3.34Å; N198-F201 PolarHBondContact OD1-N 3.23Å; N198-E202 WeakPolarHBondContact O-CA 3.26Å; N198-E202 PolarHBondContact O-N 2.86Å; N198-T203 WeakPolarHBondContact CA-O 3.08Å; N198-T203 VanDerWaalsContact CB-O 3.23Å; N198-T203 WeakPolarHBondContact CB-O 3.44Å; N198-T203 PolarHBondContact N-O 2.79Å; N198-T203 PolarHBondContact O-N 3.44Å; N198-I255 HydrophobicContact CB-CD1 3.9Å; N198-I255 HydrophobicContact CB-CG2 4.3Å; N198-G259 PolarHBondContact ND2-O 3.01Å; N198-G259 WeakPolarHBondContact OD1-CA 3.44Å; N198-F276 HydrophobicContact CB-CE2 4.23Å; N198-F276 WeakPolarHBondContact ND2-CD2 3.44Å; N198-F276 VanDerWaalsContact ND2-CE2 3.27Å; N198-F276 WeakPolarHBondContact ND2-CE2 3.49Å |
| 199 | Y | 94.7 | Very high | 97 | Very high | 44 Ų | 44 | 25.2 Ų | 25.2 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.4 | -178.4 | -61.5 | -85.9 | 0 | 0 | 0 | 113.6 | Y109 H150 Y197 F201 | Y109-Y199 AromaticContact CD2-CD1 3.88Å; Y109-Y199 HydrophobicContact CD2-CD1 3.88Å; Y109-Y199 AromaticContact CD2-CD2 3.45Å; Y109-Y199 HydrophobicContact CD2-CD2 3.45Å; Y109-Y199 VanDerWaalsContact CD2-CD2 3.45Å; Y109-Y199 HydrophobicContact CD2-CE1 4.12Å; Y109-Y199 AromaticContact CD2-CE2 3.7Å; Y109-Y199 HydrophobicContact CD2-CE2 3.7Å; Y109-Y199 AromaticContact CD2-CG 3.55Å; Y109-Y199 HydrophobicContact CD2-CG 3.55Å; Y109-Y199 AromaticContact CE2-CD2 3.96Å; Y109-Y199 HydrophobicContact CE2-CD2 3.96Å; Y109-Y199 HydrophobicContact CE2-CG 4Å; Y109-Y199 AromaticContact CG-CD1 3.82Å; Y109-Y199 HydrophobicContact CG-CD1 3.82Å; Y109-Y199 HydrophobicContact CG-CD2 4.22Å; Y109-Y199 AromaticContact CG-CE1 3.96Å; Y109-Y199 HydrophobicContact CG-CE1 3.96Å; Y109-Y199 HydrophobicContact CG-CE2 4.33Å; Y109-Y199 AromaticContact CG-CG 3.97Å; Y109-Y199 HydrophobicContact CG-CG 3.97Å; H150-Y199 VanDerWaalsContact O-CE1 3.27Å; H150-Y199 WeakPolarHBondContact O-CE1 3.34Å; Y197-Y199 AromaticContact CD1-CD1 3.43Å; Y197-Y199 HydrophobicContact CD1-CD1 3.43Å; Y197-Y199 VanDerWaalsContact CD1-CD1 3.43Å; Y197-Y199 HydrophobicContact CD1-CD2 4.23Å; Y197-Y199 AromaticContact CD1-CE1 3.45Å; Y197-Y199 HydrophobicContact CD1-CE1 3.45Å; Y197-Y199 VanDerWaalsContact CD1-CE1 3.45Å; Y197-Y199 HydrophobicContact CD1-CE2 4.27Å; Y197-Y199 AromaticContact CD1-CG 3.83Å; Y197-Y199 HydrophobicContact CD1-CG 3.83Å; Y197-Y199 AromaticContact CD1-CZ 3.9Å; Y197-Y199 AromaticContact CE1-CD1 3.72Å; Y197-Y199 HydrophobicContact CE1-CD1 3.72Å; Y197-Y199 HydrophobicContact CE1-CE1 4.03Å; Y197-Y199 HydrophobicContact CE1-CG 4.28Å; Y197-Y199 HydrophobicContact CG-CE1 4.5Å; Y197-Y199 WeakPolarHBondContact O-CD2 3.49Å; Y197-Y199 VanDerWaalsContact O-CE2 3.26Å; Y197-Y199 WeakPolarHBondContact O-CE2 3.41Å; Y197-Y199 PolarHBondContact O-N 2.82Å; Y199-F201 VanDerWaalsContact C-N 3.32Å; Y199-F201 PolarHBondContact O-N 2.94Å |
| 200 | A | 94.6 | Very high | 97 | Very high | 39 Ų | 39 | 24.9 Ų | 24.9 | 32% | 0.322 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -34.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N198 | N198-A200 VanDerWaalsContact C-N 3.26Å; N198-A200 PolarHBondContact O-N 3.28Å; N198-A200 PolarHBondContact OD1-N 3.44Å |
| 201 | F | 96.2 | Very high | 97 | Very high | 42 Ų | 42 | 19.4 Ų | 19.4 | 18% | 0.184 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 6.5 | -178.4 | -65.1 | -74.1 | 0 | 0 | 0 | 113.6 | N198 Y199 T203 R228 G259 K260 F276 | N198-F201 CarbonylContact O-C 3.58Å; N198-F201 PolarHBondContact O-N 3.34Å; N198-F201 PolarHBondContact OD1-N 3.23Å; Y199-F201 VanDerWaalsContact C-N 3.32Å; Y199-F201 PolarHBondContact O-N 2.94Å; F201-T203 VanDerWaalsContact C-N 3.25Å; F201-T203 PolarHBondContact O-N 3.29Å; F201-T203 PolarHBondContact O-OG1 2.75Å; F201-R228 HydrophobicContact CD1-CG 4.26Å; F201-G259 WeakPolarHBondContact CD2-O 3.34Å; F201-G259 WeakPolarHBondContact CE2-O 3.4Å; F201-K260 HydrophobicContact CE2-CG 4.29Å; F201-K260 HydrophobicContact CZ-CG 4.44Å; F201-F276 HydrophobicContact CB-CE1 3.61Å; F201-F276 HydrophobicContact CB-CZ 3.87Å; F201-F276 HydrophobicContact CD1-CE1 4.33Å; F201-F276 AromaticContact CD2-CD1 3.78Å; F201-F276 HydrophobicContact CD2-CD1 3.78Å; F201-F276 AromaticContact CD2-CE1 3.74Å; F201-F276 HydrophobicContact CD2-CE1 3.74Å; F201-F276 HydrophobicContact CE2-CD1 4.17Å; F201-F276 HydrophobicContact CG-CD1 4.12Å; F201-F276 AromaticContact CG-CE1 3.63Å; F201-F276 HydrophobicContact CG-CE1 3.63Å; F201-F276 HydrophobicContact CG-CZ 4.35Å |
| 202 | E | 96 | Very high | 97.1 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.6 | 179.1 | -52.1 | -170.1 | 131.8 | 0 | 0 | 113.5 | N151 Y197 N198 K220 H221 | N151-E202 WeakPolarHBondContact ND2-CG 3.42Å; N151-E202 PolarHBondContact ND2-OE1 3.2Å; Y197-E202 VanDerWaalsContact OH-CA 3.23Å; Y197-E202 WeakPolarHBondContact OH-CA 3.49Å; Y197-E202 WeakPolarHBondContact OH-CB 3.19Å; N198-E202 WeakPolarHBondContact O-CA 3.26Å; N198-E202 PolarHBondContact O-N 2.86Å; E202-K220 IonicContact OE1-NZ 3.63Å; E202-K220 PolarHBondContact OE1-NZ 2.81Å; E202-K220 IonicContact OE2-NZ 2.7Å; E202-K220 PolarHBondContact OE2-NZ 2.69Å; E202-H221 IonicContact OE2-CD2 3.75Å; E202-H221 IonicContact OE2-CE1 3.65Å; E202-H221 IonicContact OE2-NE2 2.67Å; E202-H221 PolarHBondContact OE2-NE2 2.99Å |
| 203 | T | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.4 | -171.4 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | N198 F201 Y215 W216 P226 F276 | N198-T203 WeakPolarHBondContact CA-O 3.08Å; N198-T203 VanDerWaalsContact CB-O 3.23Å; N198-T203 WeakPolarHBondContact CB-O 3.44Å; N198-T203 PolarHBondContact N-O 2.79Å; N198-T203 PolarHBondContact O-N 3.44Å; F201-T203 VanDerWaalsContact C-N 3.25Å; F201-T203 PolarHBondContact O-N 3.29Å; F201-T203 PolarHBondContact O-OG1 2.75Å; T203-Y215 HydrophobicContact CG2-CD2 4.15Å; T203-Y215 HydrophobicContact CG2-CG 4.22Å; T203-W216 CarbonylContact C-O 3.51Å; T203-P226 HydrophobicContact CG2-CB 3.98Å; T203-P226 HydrophobicContact CG2-CG 3.67Å; T203-P226 WeakPolarHBondContact OG1-CB 3.44Å; T203-F276 HydrophobicContact CG2-CE2 4.02Å; T203-F276 HydrophobicContact CG2-CZ 3.85Å |
| 204 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I149 E196 Y197 Y215 W216 | I149-A204 HydrophobicContact CG2-CB 4.12Å; E196-A204 WeakPolarHBondContact O-CA 3.31Å; Y197-A204 HydrophobicContact CD2-CB 4.01Å; A204-Y215 WeakPolarHBondContact O-CA 3.03Å; A204-W216 HydrophobicContact CB-CD2 3.64Å; A204-W216 HydrophobicContact CB-CE3 3.88Å; A204-W216 HydrophobicContact CB-CG 4.31Å; A204-W216 HydrophobicContact CB-CH2 3.68Å; A204-W216 HydrophobicContact CB-CZ2 3.44Å; A204-W216 VanDerWaalsContact CB-CZ2 3.44Å; A204-W216 HydrophobicContact CB-CZ3 3.9Å; A204-W216 PolarHBondContact N-O 2.93Å; A204-W216 PolarHBondContact O-N 3.2Å |
| 205 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.6 | 169.9 | -55.2 | 176.2 | 0 | 0 | 0 | 106.4 | I195 E196 I213 E214 Y215 L253 I255 F262 F276 | I195-I205 CarbonylContact C-O 3.38Å; I195-I205 WeakPolarHBondContact CA-O 3.49Å; E196-I205 PolarHBondContact N-O 2.67Å; E196-I205 PolarHBondContact O-N 3.18Å; I205-I213 HydrophobicContact CG2-CG2 3.66Å; I205-E214 WeakPolarHBondContact CA-O 3.34Å; I205-Y215 HydrophobicContact CB-CD1 4.46Å; I205-Y215 HydrophobicContact CB-CE1 4.44Å; I205-Y215 HydrophobicContact CD1-CE1 3.92Å; I205-Y215 HydrophobicContact CG1-CD1 3.93Å; I205-Y215 HydrophobicContact CG1-CE1 3.74Å; I205-Y215 HydrophobicContact CG2-CD1 4.22Å; I205-Y215 HydrophobicContact CG2-CE1 4.03Å; I205-L253 HydrophobicContact CB-CD2 3.95Å; I205-L253 HydrophobicContact CG2-CD1 4.48Å; I205-L253 HydrophobicContact CG2-CD2 3.78Å; I205-I255 HydrophobicContact CD1-CD1 4Å; I205-I255 HydrophobicContact CD1-CG1 4.39Å; I205-I255 HydrophobicContact CG1-CD1 4.48Å; I205-F262 HydrophobicContact CD1-CB 4.36Å; I205-F262 HydrophobicContact CD1-CD1 3.78Å; I205-F262 HydrophobicContact CD1-CD2 4.41Å; I205-F262 HydrophobicContact CD1-CE1 4.14Å; I205-F262 HydrophobicContact CD1-CG 3.92Å; I205-F276 HydrophobicContact CD1-CD2 3.95Å; I205-F276 HydrophobicContact CD1-CE2 4.01Å; I205-F276 HydrophobicContact CG1-CE2 4.31Å |
| 206 | S | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.2 | 177 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | H188 L194 I213 E214 W216 | H188-S206 PolarHBondContact CE1-O 3.25Å; H188-S206 PolarHBondContact NE2-OG 2.84Å; L194-S206 CarbonylContact O-C 3.57Å; L194-S206 VanDerWaalsContact O-CA 3.26Å; L194-S206 WeakPolarHBondContact O-CA 3.41Å; S206-I213 WeakPolarHBondContact O-CA 3.26Å; S206-E214 PolarHBondContact N-O 3.18Å; S206-E214 PolarHBondContact O-N 3.41Å; S206-W216 PolarHBondContact OG-NE1 3.38Å |
| 207 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.4 | -179.5 | -39.8 | -178.2 | 0 | 0 | 0 | 109.8 | C193 L194 M212 I213 L243 P250 L253 V264 | C193-I207 PolarHBondContact N-O 3.49Å; L194-I207 HydrophobicContact CB-CB 4.27Å; L194-I207 HydrophobicContact CB-CG1 4.46Å; L194-I207 HydrophobicContact CD1-CD1 4.32Å; L194-I207 PolarHBondContact N-O 3.46Å; L194-I207 VanDerWaalsContact N-O 3.09Å; L194-I207 PolarHBondContact O-N 3.1Å; I207-M212 VanDerWaalsContact CA-O 3.28Å; I207-M212 WeakPolarHBondContact CA-O 3.37Å; I207-I213 HydrophobicContact CD1-CD1 4.3Å; I207-I213 HydrophobicContact CD1-CG1 4.04Å; I207-I213 HydrophobicContact CG1-CG1 4.01Å; I207-I213 HydrophobicContact CG1-CG2 4.34Å; I207-I213 HydrophobicContact CG2-CG1 3.98Å; I207-L243 HydrophobicContact CG2-CD1 4.14Å; I207-P250 HydrophobicContact CB-CG 4.26Å; I207-P250 HydrophobicContact CG2-CB 4.25Å; I207-P250 HydrophobicContact CG2-CG 3.64Å; I207-L253 HydrophobicContact CD1-CB 4.34Å; I207-L253 HydrophobicContact CD1-CD1 4.29Å; I207-L253 HydrophobicContact CD1-CD2 4.15Å; I207-L253 HydrophobicContact CG1-CD2 4.27Å; I207-V264 HydrophobicContact CD1-CG1 4.23Å; I207-V264 HydrophobicContact CD1-CG2 3.7Å |
| 208 | D | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 171.2 | 174.4 | 77 | 9.8 | 0 | 0 | 0 | 114.2 | H188 P189 K190 E191 C193 I210 G211 M212 | H188-D208 HydrophobicContact CB-CB 4.03Å; H188-D208 IonicContact ND1-OD2 3.82Å; P189-D208 WeakPolarHBondContact CD-OD2 3.17Å; P189-D208 VanDerWaalsContact CG-OD2 3.22Å; P189-D208 WeakPolarHBondContact CG-OD2 3.39Å; K190-D208 HydrophobicContact CB-CB 4.29Å; K190-D208 PolarHBondContact N-OD2 2.83Å; E191-D208 CarbonylContact O-C 3.6Å; E191-D208 VanDerWaalsContact O-CA 3.27Å; E191-D208 WeakPolarHBondContact O-CA 3.35Å; E191-D208 WeakPolarHBondContact O-CB 3.32Å; C193-D208 VanDerWaalsContact SG-C 3.6Å; D208-I210 PolarHBondContact O-N 2.59Å; D208-I210 VanDerWaalsContact O-N 3.14Å; D208-I210 WeakPolarHBondContact OD1-CG1 3.41Å; D208-I210 PolarHBondContact OD1-N 2.55Å; D208-I210 WeakPolarHBondContact OD2-CG1 3.29Å; D208-G211 PolarHBondContact O-N 3.29Å; D208-G211 PolarHBondContact OD1-N 3.46Å; D208-M212 PolarHBondContact N-O 2.96Å; D208-M212 WeakPolarHBondContact OD1-CB 3.43Å; D208-M212 PolarHBondContact OD1-N 3.04Å; D208-M212 WeakPolarHBondContact OD2-CB 3.27Å |
| 209 | Q | 95.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 19.4 Ų | 19.4 | 39% | 0.388 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.3 | -179.1 | -75.1 | 178 | -4 | 0 | 0 | 114.3 | E191 C193 | E191-Q209 HydrophobicContact CB-CG 4.26Å; E191-Q209 WeakPolarHBondContact O-CG 3.46Å; E191-Q209 PolarHBondContact O-N 3.13Å; E191-Q209 PolarHBondContact OE1-NE2 3.12Å; E191-Q209 PolarHBondContact OE2-NE2 2.79Å; E191-Q209 VanDerWaalsContact OE2-NE2 3.15Å; C193-Q209 HydrophobicContact CB-CG 4.06Å |
| 210 | I | 95.7 | Very high | 96.4 | Very high | 72 Ų | 72 | 23.1 Ų | 23.1 | 37% | 0.369 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4.6 | 175.7 | 63.4 | 166.7 | 0 | 0 | 0 | 112.6 | P189 K190 D208 V244 | P189-I210 HydrophobicContact CG-CD1 3.75Å; P189-I210 HydrophobicContact CG-CG1 4.45Å; K190-I210 HydrophobicContact CB-CG1 4.35Å; K190-I210 HydrophobicContact CB-CG2 4.35Å; K190-I210 HydrophobicContact CG-CD1 4.25Å; K190-I210 HydrophobicContact CG-CG1 4.25Å; K190-I210 HydrophobicContact CG-CG2 3.82Å; D208-I210 PolarHBondContact O-N 2.59Å; D208-I210 VanDerWaalsContact O-N 3.14Å; D208-I210 WeakPolarHBondContact OD1-CG1 3.41Å; D208-I210 PolarHBondContact OD1-N 2.55Å; D208-I210 WeakPolarHBondContact OD2-CG1 3.29Å; I210-V244 VanDerWaalsContact O-CA 3.31Å; I210-V244 WeakPolarHBondContact O-CA 3.2Å; I210-V244 WeakPolarHBondContact O-CG2 3.37Å |
| 211 | G | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | 96.3 | 16.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D208 I213 L243 | D208-G211 PolarHBondContact O-N 3.29Å; D208-G211 PolarHBondContact OD1-N 3.46Å; G211-I213 PolarHBondContact O-N 3.06Å; G211-L243 WeakPolarHBondContact O-CB 3.18Å | ||
| 212 | M | 97.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 26 Ų | 26 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | trans | -76.3 | 121.4 | 176.5 | -169.2 | 56.7 | 178.7 | 0 | 0 | 110.5 | H188 P189 I207 D208 K235 Y241 V244 | H188-M212 PolarHBondContact CE1-O 3.1Å; H188-M212 VanDerWaalsContact CE1-O 3.29Å; H188-M212 PolarHBondContact ND1-O 3.22Å; P189-M212 HydrophobicContact CG-CB 4.48Å; I207-M212 VanDerWaalsContact CA-O 3.28Å; I207-M212 WeakPolarHBondContact CA-O 3.37Å; D208-M212 PolarHBondContact N-O 2.96Å; D208-M212 WeakPolarHBondContact OD1-CB 3.43Å; D208-M212 PolarHBondContact OD1-N 3.04Å; D208-M212 WeakPolarHBondContact OD2-CB 3.27Å; M212-K235 HydrophobicContact CE-CD 3.8Å; M212-Y241 HydrophobicContact CE-CD1 4.18Å; M212-Y241 HydrophobicContact CE-CE1 3.29Å; M212-Y241 WeakPolarHBondContact CE-OH 3.43Å; M212-Y241 HydrophobicContact SD-CD1 3.7Å; M212-Y241 HydrophobicContact SD-CE1 3.39Å; M212-Y241 WeakPolarHBondContact SD-CE1 3.12Å; M212-V244 HydrophobicContact CB-CG2 4.37Å | ||
| 213 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.7 | -179.1 | -52 | 177.3 | 0 | 0 | 0 | 110.2 | I205 S206 I207 G211 Y215 K235 L240 L243 F262 Y274 | I205-I213 HydrophobicContact CG2-CG2 3.66Å; S206-I213 WeakPolarHBondContact O-CA 3.26Å; I207-I213 HydrophobicContact CD1-CD1 4.3Å; I207-I213 HydrophobicContact CD1-CG1 4.04Å; I207-I213 HydrophobicContact CG1-CG1 4.01Å; I207-I213 HydrophobicContact CG1-CG2 4.34Å; I207-I213 HydrophobicContact CG2-CG1 3.98Å; G211-I213 PolarHBondContact O-N 3.06Å; I213-Y215 HydrophobicContact CG2-CD1 4.49Å; I213-Y215 HydrophobicContact CG2-CE1 4.3Å; I213-K235 PolarHBondContact O-NZ 3.48Å; I213-L240 HydrophobicContact CB-CB 4.27Å; I213-L240 HydrophobicContact CB-CD2 4.1Å; I213-L240 HydrophobicContact CD1-CD2 4.01Å; I213-L240 HydrophobicContact CG2-CD2 3.99Å; I213-L243 HydrophobicContact CD1-CD1 3.93Å; I213-L243 HydrophobicContact CG1-CD1 4.12Å; I213-F262 HydrophobicContact CD1-CE2 4.36Å; I213-Y274 HydrophobicContact CD1-CE1 4.32Å; I213-Y274 HydrophobicContact CD1-CE2 4.5Å |
| 214 | E | 97.2 | Very high | 96 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 15% | 0.154 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.7 | 177.3 | -68.3 | -65.2 | 156.8 | 0 | 0 | 111.9 | M187 H188 I205 S206 K235 | M187-E214 HydrophobicContact CE-CB 4.25Å; H188-E214 WeakPolarHBondContact CE1-CG 3.36Å; H188-E214 WeakPolarHBondContact NE2-CG 3.47Å; I205-E214 WeakPolarHBondContact CA-O 3.34Å; S206-E214 PolarHBondContact N-O 3.18Å; S206-E214 PolarHBondContact O-N 3.41Å; E214-K235 IonicContact OE1-NZ 3.07Å; E214-K235 PolarHBondContact OE1-NZ 2.87Å; E214-K235 WeakPolarHBondContact OE2-CE 3.32Å; E214-K235 IonicContact OE2-NZ 3.57Å; E214-K235 PolarHBondContact OE2-NZ 2.82Å |
| 215 | Y | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.4 | 173.6 | -79.5 | 23.3 | 0 | 0 | 0 | 109.7 | T203 A204 I205 I213 P226 V230 W232 F262 F276 | T203-Y215 HydrophobicContact CG2-CD2 4.15Å; T203-Y215 HydrophobicContact CG2-CG 4.22Å; A204-Y215 WeakPolarHBondContact O-CA 3.03Å; I205-Y215 HydrophobicContact CB-CD1 4.46Å; I205-Y215 HydrophobicContact CB-CE1 4.44Å; I205-Y215 HydrophobicContact CD1-CE1 3.92Å; I205-Y215 HydrophobicContact CG1-CD1 3.93Å; I205-Y215 HydrophobicContact CG1-CE1 3.74Å; I205-Y215 HydrophobicContact CG2-CD1 4.22Å; I205-Y215 HydrophobicContact CG2-CE1 4.03Å; I213-Y215 HydrophobicContact CG2-CD1 4.49Å; I213-Y215 HydrophobicContact CG2-CE1 4.3Å; Y215-P226 HydrophobicContact CD2-CG 4.1Å; Y215-V230 HydrophobicContact CD2-CG2 3.98Å; Y215-V230 HydrophobicContact CE2-CG2 4.07Å; Y215-W232 AromaticContact CD2-CZ2 3.89Å; Y215-W232 HydrophobicContact CD2-CZ2 3.89Å; Y215-W232 HydrophobicContact CE2-CZ2 4.1Å; Y215-W232 HydrophobicContact CG-CZ2 4.18Å; Y215-F262 HydrophobicContact CE1-CE1 4.34Å; Y215-F262 HydrophobicContact CE1-CZ 4.43Å; Y215-F262 WeakPolarHBondContact OH-CE1 3.33Å; Y215-F276 HydrophobicContact CD2-CE2 4.09Å; Y215-F276 HydrophobicContact CD2-CZ 4.3Å; Y215-F276 AromaticContact CE2-CD2 3.78Å; Y215-F276 HydrophobicContact CE2-CD2 3.78Å; Y215-F276 AromaticContact CE2-CE2 3.45Å; Y215-F276 HydrophobicContact CE2-CE2 3.45Å; Y215-F276 VanDerWaalsContact CE2-CE2 3.45Å; Y215-F276 HydrophobicContact CE2-CG 4.47Å; Y215-F276 AromaticContact CE2-CZ 3.88Å; Y215-F276 HydrophobicContact CE2-CZ 3.88Å; Y215-F276 AromaticContact CZ-CD2 3.74Å; Y215-F276 AromaticContact CZ-CE2 3.74Å; Y215-F276 WeakPolarHBondContact OH-CD2 3.5Å; Y215-F276 PolarHBondContact OH-O 2.97Å |
| 216 | W | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 166.7 | 178.9 | 53.3 | -84.2 | 0 | 0 | 0 | 110.1 | I149 A160 I171 F184 M187 I195 T203 A204 S206 | I149-W216 HydrophobicContact CD1-CH2 3.98Å; I149-W216 HydrophobicContact CD1-CZ3 3.78Å; I149-W216 HydrophobicContact CG2-CH2 4.04Å; A160-W216 HydrophobicContact CB-CH2 3.75Å; A160-W216 HydrophobicContact CB-CZ2 4.28Å; I171-W216 HydrophobicContact CD1-CH2 3.79Å; I171-W216 HydrophobicContact CD1-CZ3 3.97Å; F184-W216 HydrophobicContact CE2-CD2 4.07Å; F184-W216 AromaticContact CE2-CE3 3.56Å; F184-W216 HydrophobicContact CE2-CE3 3.56Å; F184-W216 HydrophobicContact CE2-CH2 4.2Å; F184-W216 AromaticContact CE2-CZ3 3.65Å; F184-W216 HydrophobicContact CE2-CZ3 3.65Å; F184-W216 HydrophobicContact CZ-CB 4.46Å; F184-W216 AromaticContact CZ-CD2 3.95Å; F184-W216 HydrophobicContact CZ-CD2 3.95Å; F184-W216 AromaticContact CZ-CE3 3.49Å; F184-W216 HydrophobicContact CZ-CE3 3.49Å; F184-W216 VanDerWaalsContact CZ-CE3 3.49Å; F184-W216 HydrophobicContact CZ-CG 4.38Å; F184-W216 HydrophobicContact CZ-CZ3 4.04Å; M187-W216 HydrophobicContact CE-CB 3.97Å; M187-W216 HydrophobicContact CE-CG 4.14Å; I195-W216 HydrophobicContact CG2-CZ2 4.02Å; T203-W216 CarbonylContact C-O 3.51Å; A204-W216 HydrophobicContact CB-CD2 3.64Å; A204-W216 HydrophobicContact CB-CE3 3.88Å; A204-W216 HydrophobicContact CB-CG 4.31Å; A204-W216 HydrophobicContact CB-CH2 3.68Å; A204-W216 HydrophobicContact CB-CZ2 3.44Å; A204-W216 VanDerWaalsContact CB-CZ2 3.44Å; A204-W216 HydrophobicContact CB-CZ3 3.9Å; A204-W216 PolarHBondContact N-O 2.93Å; A204-W216 PolarHBondContact O-N 3.2Å; S206-W216 PolarHBondContact OG-NE1 3.38Å |
| 217 | T | 96.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 164.7 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | H221 Y223 E224 P226 | T217-H221 HydrophobicContact CG2-CB 4.11Å; T217-H221 WeakPolarHBondContact OG1-CB 3.49Å; T217-H221 PolarHBondContact OG1-O 3.3Å; T217-Y223 WeakPolarHBondContact O-CA 3.15Å; T217-E224 WeakPolarHBondContact CB-O 2.67Å; T217-E224 WeakPolarHBondContact CG2-O 3.47Å; T217-E224 PolarHBondContact N-O 2.8Å; T217-E224 PolarHBondContact OG1-N 2.86Å; T217-E224 PolarHBondContact OG1-O 3Å; T217-P226 HydrophobicContact CG2-CB 3.79Å |
| 218 | G | 93.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -79 | -173.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K220 H221 A222 Y223 | G218-K220 PolarHBondContact O-N 3.46Å; G218-K220 VanDerWaalsContact O-N 3.11Å; G218-H221 PolarHBondContact O-N 3.38Å; G218-H221 VanDerWaalsContact O-N 3.08Å; G218-A222 PolarHBondContact O-N 3.21Å; G218-Y223 PolarHBondContact O-N 3.31Å | ||
| 219 | P | 92.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -54.8 | -33.7 | -177.8 | -23 | 29.6 | 0 | 0 | 0 | 114.4 | A158 H221 A222 Y223 | A158-P219 HydrophobicContact CB-CG 3.69Å; P219-H221 PolarHBondContact O-N 3.05Å; P219-A222 PolarHBondContact O-N 3.01Å; P219-Y223 HydrophobicContact CB-CE1 4.22Å; P219-Y223 HydrophobicContact CG-CE1 3.86Å; P219-Y223 WeakPolarHBondContact CG-OH 3.25Å |
| 220 | K | 91 | Very high | 94.5 | Very high | 121 Ų | 121 | 49.3 Ų | 49.3 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.3 | -30.7 | 180 | -177.4 | 178.5 | 175.5 | -176.6 | 0 | 113.5 | E202 G218 | E202-K220 IonicContact OE1-NZ 3.63Å; E202-K220 PolarHBondContact OE1-NZ 2.81Å; E202-K220 IonicContact OE2-NZ 2.7Å; E202-K220 PolarHBondContact OE2-NZ 2.69Å; G218-K220 PolarHBondContact O-N 3.46Å; G218-K220 VanDerWaalsContact O-N 3.11Å |
| 221 | H | 93.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -115.8 | 26.5 | -178.8 | -58 | -64.4 | 0 | 0 | 0 | 111.3 | E202 T217 G218 P219 Y223 E224 | E202-H221 IonicContact OE2-CD2 3.75Å; E202-H221 IonicContact OE2-CE1 3.65Å; E202-H221 IonicContact OE2-NE2 2.67Å; E202-H221 PolarHBondContact OE2-NE2 2.99Å; T217-H221 HydrophobicContact CG2-CB 4.11Å; T217-H221 WeakPolarHBondContact OG1-CB 3.49Å; T217-H221 PolarHBondContact OG1-O 3.3Å; G218-H221 PolarHBondContact O-N 3.38Å; G218-H221 VanDerWaalsContact O-N 3.08Å; P219-H221 PolarHBondContact O-N 3.05Å; H221-Y223 PolarHBondContact O-N 3.05Å; H221-Y223 VanDerWaalsContact O-N 3.07Å; H221-E224 PolarHBondContact O-N 2.81Å |
| 222 | A | 94 | Very high | 94.3 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G218 P219 E224 | G218-A222 PolarHBondContact O-N 3.21Å; P219-A222 PolarHBondContact O-N 3.01Å; A222-E224 HydrophobicContact CB-CG 4.5Å; A222-E224 PolarHBondContact O-N 3.37Å |
| 223 | Y | 95.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 19.8 | 174.4 | -47.4 | -70 | 0 | 0 | 0 | 115.1 | I171 H182 F184 T217 G218 P219 H221 | I171-Y223 HydrophobicContact CB-CE1 4.38Å; I171-Y223 HydrophobicContact CG1-CD1 4.44Å; I171-Y223 HydrophobicContact CG1-CE1 3.97Å; I171-Y223 HydrophobicContact CG2-CE1 4.19Å; H182-Y223 HydrophobicContact CB-CD1 4.41Å; H182-Y223 HydrophobicContact CB-CD2 3.93Å; H182-Y223 HydrophobicContact CB-CE1 3.99Å; H182-Y223 HydrophobicContact CB-CE2 3.46Å; H182-Y223 VanDerWaalsContact CB-CE2 3.46Å; H182-Y223 HydrophobicContact CB-CG 4.37Å; H182-Y223 VanDerWaalsContact CB-CZ 3.47Å; H182-Y223 AromaticContact CD2-CD2 3.73Å; H182-Y223 AromaticContact CD2-CG 3.65Å; H182-Y223 AromaticContact CG-CD2 3.52Å; H182-Y223 AromaticContact CG-CE2 3.59Å; H182-Y223 AromaticContact CG-CG 3.9Å; H182-Y223 AromaticContact ND1-CD2 3.73Å; H182-Y223 AromaticContact ND1-CE2 3.93Å; F184-Y223 HydrophobicContact CE2-CD1 4.32Å; F184-Y223 HydrophobicContact CZ-CD1 4.12Å; F184-Y223 HydrophobicContact CZ-CG 4.19Å; T217-Y223 WeakPolarHBondContact O-CA 3.15Å; G218-Y223 PolarHBondContact O-N 3.31Å; P219-Y223 HydrophobicContact CB-CE1 4.22Å; P219-Y223 HydrophobicContact CG-CE1 3.86Å; P219-Y223 WeakPolarHBondContact CG-OH 3.25Å; H221-Y223 PolarHBondContact O-N 3.05Å; H221-Y223 VanDerWaalsContact O-N 3.07Å |
| 224 | E | 94.8 | Very high | 93.6 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 173.3 | -178.6 | -61.9 | -173 | 172.1 | 0 | 0 | 112.5 | T217 H221 A222 | T217-E224 WeakPolarHBondContact CB-O 2.67Å; T217-E224 WeakPolarHBondContact CG2-O 3.47Å; T217-E224 PolarHBondContact N-O 2.8Å; T217-E224 PolarHBondContact OG1-N 2.86Å; T217-E224 PolarHBondContact OG1-O 3Å; H221-E224 PolarHBondContact O-N 2.81Å; A222-E224 HydrophobicContact CB-CG 4.5Å; A222-E224 PolarHBondContact O-N 3.37Å |
| 225 | F | 94.4 | Very high | 93.3 | Very high | 91 Ų | 91 | 65.5 Ų | 65.5 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 135.3 | 170.2 | -175.6 | -95.9 | 0 | 0 | 0 | 110.5 | T227 V230 W232 | F225-T227 PolarHBondContact O-N 2.98Å; F225-V230 HydrophobicContact CE1-CG1 3.92Å; F225-V230 HydrophobicContact CZ-CG1 3.78Å; F225-W232 AromaticContact CE2-CH2 3.47Å; F225-W232 HydrophobicContact CE2-CH2 3.47Å; F225-W232 VanDerWaalsContact CE2-CH2 3.47Å; F225-W232 HydrophobicContact CE2-CZ2 4.07Å; F225-W232 AromaticContact CE2-CZ3 3.81Å; F225-W232 HydrophobicContact CE2-CZ3 3.81Å; F225-W232 HydrophobicContact CZ-CD2 4.44Å; F225-W232 HydrophobicContact CZ-CE3 4.11Å; F225-W232 AromaticContact CZ-CH2 3.57Å; F225-W232 HydrophobicContact CZ-CH2 3.57Å; F225-W232 AromaticContact CZ-CZ2 3.91Å; F225-W232 HydrophobicContact CZ-CZ2 3.91Å; F225-W232 AromaticContact CZ-CZ3 3.66Å; F225-W232 HydrophobicContact CZ-CZ3 3.66Å |
| 226 | P | 94.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 133.2 | -177.3 | 29.5 | -39.7 | 0 | 0 | 0 | 112.8 | T203 Y215 T217 V230 | T203-P226 HydrophobicContact CG2-CB 3.98Å; T203-P226 HydrophobicContact CG2-CG 3.67Å; T203-P226 WeakPolarHBondContact OG1-CB 3.44Å; Y215-P226 HydrophobicContact CD2-CG 4.1Å; T217-P226 HydrophobicContact CG2-CB 3.79Å; P226-V230 HydrophobicContact CB-CG2 4.24Å; P226-V230 HydrophobicContact CG-CG2 3.87Å |
| 227 | T | 87.3 | Confident | 93 | Very high | 137 Ų | 137 | 75.6 Ų | 75.6 | 84% | 0.84 | 38% | 0.382 | S | S | * | . | trans | -95.9 | -16.8 | 171.7 | 54 | 0 | 0 | 0 | 0 | 112.8 | F225 | F225-T227 PolarHBondContact O-N 2.98Š| ||
| 228 | R | 90.3 | Very high | 93 | Very high | 141 Ų | 141 | 76 Ų | 76 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -92.6 | 117.3 | -173.9 | -168.4 | -176.6 | 177 | -171.8 | -4.2 | 111.3 | F201 V230 | F201-R228 HydrophobicContact CD1-CG 4.26Å; R228-V230 VanDerWaalsContact C-N 3.25Å; R228-V230 PolarHBondContact O-N 2.65Å |
| 229 | G | 91.7 | Very high | 93.2 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 74.4 | 14.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S277 | G229-S277 WeakPolarHBondContact O-CA 3.26Å; G229-S277 WeakPolarHBondContact O-CB 3.22Å |
| 230 | V | 95.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | trans | -114.4 | 117.9 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | Y215 F225 P226 R228 W232 F276 | Y215-V230 HydrophobicContact CD2-CG2 3.98Å; Y215-V230 HydrophobicContact CE2-CG2 4.07Å; F225-V230 HydrophobicContact CE1-CG1 3.92Å; F225-V230 HydrophobicContact CZ-CG1 3.78Å; P226-V230 HydrophobicContact CB-CG2 4.24Å; P226-V230 HydrophobicContact CG-CG2 3.87Å; R228-V230 VanDerWaalsContact C-N 3.25Å; R228-V230 PolarHBondContact O-N 2.65Å; V230-W232 HydrophobicContact CG1-CD2 4.09Å; V230-W232 HydrophobicContact CG1-CG 4.07Å; V230-W232 HydrophobicContact CG1-CZ2 4.31Å; V230-F276 HydrophobicContact CG2-CE1 3.9Å; V230-F276 HydrophobicContact CG2-CZ 4.07Å | ||
| 231 | D | 94.5 | Very high | 93.7 | Very high | 122 Ų | 122 | 76 Ų | 76 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | trans | -104.4 | 8.5 | -171.5 | -51 | -38.3 | 0 | 0 | 0 | 112.5 | S277 | D231-S277 PolarHBondContact N-O 2.91Å; D231-S277 WeakPolarHBondContact OD2-CB 3.23Å; D231-S277 PolarHBondContact OD2-OG 3.29Å | ||
| 232 | W | 94.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.045 | 38% | 0.376 | C | S | . | . | trans | -119.9 | 149.2 | 179 | 57.9 | -85.4 | 0 | 0 | 0 | 111 | Y215 F225 V230 K235 T238 L240 S277 N278 | Y215-W232 AromaticContact CD2-CZ2 3.89Å; Y215-W232 HydrophobicContact CD2-CZ2 3.89Å; Y215-W232 HydrophobicContact CE2-CZ2 4.1Å; Y215-W232 HydrophobicContact CG-CZ2 4.18Å; F225-W232 AromaticContact CE2-CH2 3.47Å; F225-W232 HydrophobicContact CE2-CH2 3.47Å; F225-W232 VanDerWaalsContact CE2-CH2 3.47Å; F225-W232 HydrophobicContact CE2-CZ2 4.07Å; F225-W232 AromaticContact CE2-CZ3 3.81Å; F225-W232 HydrophobicContact CE2-CZ3 3.81Å; F225-W232 HydrophobicContact CZ-CD2 4.44Å; F225-W232 HydrophobicContact CZ-CE3 4.11Å; F225-W232 AromaticContact CZ-CH2 3.57Å; F225-W232 HydrophobicContact CZ-CH2 3.57Å; F225-W232 AromaticContact CZ-CZ2 3.91Å; F225-W232 HydrophobicContact CZ-CZ2 3.91Å; F225-W232 AromaticContact CZ-CZ3 3.66Å; F225-W232 HydrophobicContact CZ-CZ3 3.66Å; V230-W232 HydrophobicContact CG1-CD2 4.09Å; V230-W232 HydrophobicContact CG1-CG 4.07Å; V230-W232 HydrophobicContact CG1-CZ2 4.31Å; W232-K235 HydrophobicContact CH2-CG 4.18Å; W232-K235 HydrophobicContact CZ3-CG 3.78Å; W232-T238 HydrophobicContact CB-CG2 4.03Å; W232-T238 HydrophobicContact CD2-CG2 3.5Å; W232-T238 HydrophobicContact CE3-CG2 3.91Å; W232-T238 HydrophobicContact CG-CG2 3.57Å; W232-L240 HydrophobicContact CH2-CD1 3.83Å; W232-L240 HydrophobicContact CZ2-CD1 3.61Å; W232-S277 VanDerWaalsContact CD1-O 3.22Å; W232-N278 VanDerWaalsContact CD1-C 3.49Å | ||
| 233 | Q | 89.5 | Confident | 94.1 | Very high | 154 Ų | 154 | 72 Ų | 72 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -108.9 | -34.7 | 178.2 | -67.3 | -177.5 | 0.6 | 0 | 0 | 111.7 | E237 | Q233-E237 PolarHBondContact N-OE2 2.82Š|
| 234 | Y | 92 | Very high | 94.2 | Very high | 147 Ų | 147 | 72.5 Ų | 72.5 | 58% | 0.576 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -121.1 | 135.6 | -177.4 | -57.3 | -79.3 | 0 | 0 | 0 | 110.9 | V236 E237 | Y234-V236 PolarHBondContact O-N 2.81Å; Y234-V236 VanDerWaalsContact O-N 3.07Å; Y234-E237 VanDerWaalsContact O-CB 3.26Å; Y234-E237 WeakPolarHBondContact O-CB 3.41Å; Y234-E237 WeakPolarHBondContact O-CG 3.26Å; Y234-E237 PolarHBondContact O-N 2.76Å |
| 235 | K | 91.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 13% | 0.13 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -60 | -23.9 | -179.9 | -65 | -169.6 | 174.7 | -160.2 | 0 | 114.4 | M212 I213 E214 W232 E237 T238 Y241 | M212-K235 HydrophobicContact CE-CD 3.8Å; I213-K235 PolarHBondContact O-NZ 3.48Å; E214-K235 IonicContact OE1-NZ 3.07Å; E214-K235 PolarHBondContact OE1-NZ 2.87Å; E214-K235 WeakPolarHBondContact OE2-CE 3.32Å; E214-K235 IonicContact OE2-NZ 3.57Å; E214-K235 PolarHBondContact OE2-NZ 2.82Å; W232-K235 HydrophobicContact CH2-CG 4.18Å; W232-K235 HydrophobicContact CZ3-CG 3.78Å; K235-E237 PolarHBondContact O-N 3.04Å; K235-T238 WeakPolarHBondContact O-CB 3.17Å; K235-T238 PolarHBondContact O-N 2.84Å; K235-T238 PolarHBondContact O-OG1 2.82Å; K235-Y241 HydrophobicContact CB-CD2 4.4Å; K235-Y241 HydrophobicContact CB-CE2 3.46Å; K235-Y241 VanDerWaalsContact CB-CE2 3.46Å; K235-Y241 HydrophobicContact CD-CE2 4.23Å |
| 236 | V | 93.5 | Very high | 94.3 | Very high | 127 Ų | 127 | 71.3 Ų | 71.3 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.9 | -15.8 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | Y234 T238 | Y234-V236 PolarHBondContact O-N 2.81Å; Y234-V236 VanDerWaalsContact O-N 3.07Å; V236-T238 VanDerWaalsContact C-N 3.29Å |
| 237 | E | 94.4 | Very high | 94.4 | Very high | 91 Ų | 91 | 80.2 Ų | 80.2 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -83.8 | -7 | 174.8 | -57.4 | 171.4 | 168.8 | 0 | 0 | 112.7 | Q233 Y234 K235 K280 | Q233-E237 PolarHBondContact N-OE2 2.82Å; Y234-E237 VanDerWaalsContact O-CB 3.26Å; Y234-E237 WeakPolarHBondContact O-CB 3.41Å; Y234-E237 WeakPolarHBondContact O-CG 3.26Å; Y234-E237 PolarHBondContact O-N 2.76Å; K235-E237 PolarHBondContact O-N 3.04Å; E237-K280 WeakPolarHBondContact O-CE 3.18Å |
| 238 | T | 96.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 74.2 Ų | 74.2 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -118.4 | 170.3 | -170.2 | 78 | 0 | 0 | 0 | 0 | 111.5 | W232 K235 V236 L240 N278 | W232-T238 HydrophobicContact CB-CG2 4.03Å; W232-T238 HydrophobicContact CD2-CG2 3.5Å; W232-T238 HydrophobicContact CE3-CG2 3.91Å; W232-T238 HydrophobicContact CG-CG2 3.57Å; K235-T238 WeakPolarHBondContact O-CB 3.17Å; K235-T238 PolarHBondContact O-N 2.84Å; K235-T238 PolarHBondContact O-OG1 2.82Å; V236-T238 VanDerWaalsContact C-N 3.29Å; T238-L240 HydrophobicContact CG2-CD1 4.31Å; T238-L240 HydrophobicContact CG2-CG 4.48Å; T238-L240 WeakPolarHBondContact OG1-CB 3.27Å; T238-L240 VanDerWaalsContact OG1-CG 3.24Å; T238-L240 WeakPolarHBondContact OG1-CG 3.47Å; T238-L240 PolarHBondContact OG1-N 2.8Å; T238-N278 WeakPolarHBondContact CG2-O 3.44Å |
| 239 | D | 97.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 70 Ų | 70 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -99.9 | 18.3 | 172.9 | -60.4 | -40.9 | 0 | 0 | 0 | 112 | Y241 E242 Y274 G279 K280 I281 | D239-Y241 PolarHBondContact O-N 2.82Å; D239-E242 VanDerWaalsContact O-CB 3.24Å; D239-E242 WeakPolarHBondContact O-CB 3.26Å; D239-E242 PolarHBondContact O-N 2.87Å; D239-Y274 HydrophobicContact CB-CE1 4.42Å; D239-G279 PolarHBondContact N-O 3.33Å; D239-K280 VanDerWaalsContact OD2-CA 3.28Å; D239-K280 WeakPolarHBondContact OD2-CA 3.25Å; D239-K280 WeakPolarHBondContact OD2-CB 3.41Å; D239-I281 HydrophobicContact CB-CB 4.35Å; D239-I281 HydrophobicContact CB-CD1 4.03Å; D239-I281 HydrophobicContact CB-CG1 3.83Å; D239-I281 PolarHBondContact OD2-N 2.9Å |
| 240 | L | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.8 | -176.2 | -64 | 179 | 0 | 0 | 0 | 113.8 | I213 W232 T238 F262 Y274 | I213-L240 HydrophobicContact CB-CB 4.27Å; I213-L240 HydrophobicContact CB-CD2 4.1Å; I213-L240 HydrophobicContact CD1-CD2 4.01Å; I213-L240 HydrophobicContact CG2-CD2 3.99Å; W232-L240 HydrophobicContact CH2-CD1 3.83Å; W232-L240 HydrophobicContact CZ2-CD1 3.61Å; T238-L240 HydrophobicContact CG2-CD1 4.31Å; T238-L240 HydrophobicContact CG2-CG 4.48Å; T238-L240 WeakPolarHBondContact OG1-CB 3.27Å; T238-L240 VanDerWaalsContact OG1-CG 3.24Å; T238-L240 WeakPolarHBondContact OG1-CG 3.47Å; T238-L240 PolarHBondContact OG1-N 2.8Å; L240-F262 HydrophobicContact CD2-CZ 4.12Å; L240-Y274 HydrophobicContact CD2-CD1 4.23Å; L240-Y274 HydrophobicContact CD2-CE1 4.45Å |
| 241 | Y | 96.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.7 | 173.6 | -69 | -78.6 | 0 | 0 | 0 | 114.1 | M212 K235 D239 L243 V244 K245 | M212-Y241 HydrophobicContact CE-CD1 4.18Å; M212-Y241 HydrophobicContact CE-CE1 3.29Å; M212-Y241 WeakPolarHBondContact CE-OH 3.43Å; M212-Y241 HydrophobicContact SD-CD1 3.7Å; M212-Y241 HydrophobicContact SD-CE1 3.39Å; M212-Y241 WeakPolarHBondContact SD-CE1 3.12Å; K235-Y241 HydrophobicContact CB-CD2 4.4Å; K235-Y241 HydrophobicContact CB-CE2 3.46Å; K235-Y241 VanDerWaalsContact CB-CE2 3.46Å; K235-Y241 HydrophobicContact CD-CE2 4.23Å; D239-Y241 PolarHBondContact O-N 2.82Å; Y241-L243 VanDerWaalsContact C-N 3.3Å; Y241-L243 PolarHBondContact O-N 2.56Å; Y241-V244 PolarHBondContact O-N 3.49Å; Y241-K245 PolarHBondContact O-N 2.85Å |
| 242 | E | 97.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | -172.9 | 179.8 | 58.5 | -159 | 0 | 0 | 112.6 | D239 K245 A246 I281 | D239-E242 VanDerWaalsContact O-CB 3.24Å; D239-E242 WeakPolarHBondContact O-CB 3.26Å; D239-E242 PolarHBondContact O-N 2.87Å; E242-K245 PolarHBondContact O-N 2.95Å; E242-K245 IonicContact OE2-NZ 2.82Å; E242-A246 VanDerWaalsContact O-CB 3.29Å; E242-A246 WeakPolarHBondContact O-CB 3.36Å; E242-A246 PolarHBondContact O-N 3.35Å; E242-I281 HydrophobicContact CB-CD1 3.68Å; E242-I281 HydrophobicContact CG-CD1 3.54Å |
| 243 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 178 | -58.8 | 174.3 | 0 | 0 | 0 | 111.6 | I207 G211 I213 Y241 A246 K247 V248 P250 V264 | I207-L243 HydrophobicContact CG2-CD1 4.14Å; G211-L243 WeakPolarHBondContact O-CB 3.18Å; I213-L243 HydrophobicContact CD1-CD1 3.93Å; I213-L243 HydrophobicContact CG1-CD1 4.12Å; Y241-L243 VanDerWaalsContact C-N 3.3Å; Y241-L243 PolarHBondContact O-N 2.56Å; L243-A246 CarbonylContact O-C 3.59Å; L243-A246 PolarHBondContact O-N 2.91Å; L243-K247 PolarHBondContact O-N 2.81Å; L243-V248 HydrophobicContact CB-CG2 4.09Å; L243-V248 HydrophobicContact CD2-CG2 3.73Å; L243-V248 PolarHBondContact O-N 3.34Å; L243-P250 HydrophobicContact CD1-CB 4.28Å; L243-V264 HydrophobicContact CD1-CG1 3.97Å; L243-V264 HydrophobicContact CD2-CG1 4.33Å |
| 244 | V | 97 | Very high | 96.2 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.9 | -176 | 0 | 0 | 0 | 0 | 110.7 | I210 M212 Y241 A246 K247 | I210-V244 VanDerWaalsContact O-CA 3.31Å; I210-V244 WeakPolarHBondContact O-CA 3.2Å; I210-V244 WeakPolarHBondContact O-CG2 3.37Å; M212-V244 HydrophobicContact CB-CG2 4.37Å; Y241-V244 PolarHBondContact O-N 3.49Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 2.96Å; V244-K247 PolarHBondContact O-N 3.31Å; V244-K247 VanDerWaalsContact O-N 3.1Å |
| 245 | K | 96.3 | Very high | 96.5 | Very high | 161 Ų | 161 | 50.2 Ų | 50.2 | 70% | 0.7 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 177.9 | -179.4 | -174.9 | 169.5 | -162.1 | 0 | 111.8 | Y241 E242 K247 | Y241-K245 PolarHBondContact O-N 2.85Å; E242-K245 PolarHBondContact O-N 2.95Å; E242-K245 IonicContact OE2-NZ 2.82Å; K245-K247 PolarHBondContact O-N 2.69Å |
| 246 | A | 96.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.5 | -13.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E242 L243 V244 V248 | E242-A246 VanDerWaalsContact O-CB 3.29Å; E242-A246 WeakPolarHBondContact O-CB 3.36Å; E242-A246 PolarHBondContact O-N 3.35Å; L243-A246 CarbonylContact O-C 3.59Å; L243-A246 PolarHBondContact O-N 2.91Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 2.96Å; A246-V248 VanDerWaalsContact C-N 3.32Å; A246-V248 HydrophobicContact CB-CG1 3.95Å; A246-V248 HydrophobicContact CB-CG2 4.11Å; A246-V248 PolarHBondContact O-N 3.05Å |
| 247 | K | 96.6 | Very high | 96.9 | Very high | 191 Ų | 191 | 48.2 Ų | 48.2 | 83% | 0.83 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 44.2 | -176.6 | -56.4 | 178.7 | 179.9 | 178.9 | 0 | 112.4 | L243 V244 K245 | L243-K247 PolarHBondContact O-N 2.81Å; V244-K247 PolarHBondContact O-N 3.31Å; V244-K247 VanDerWaalsContact O-N 3.1Å; K245-K247 PolarHBondContact O-N 2.69Å |
| 248 | V | 95.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | trans | -108.8 | 147.8 | -178.3 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | L243 A246 D268 | L243-V248 HydrophobicContact CB-CG2 4.09Å; L243-V248 HydrophobicContact CD2-CG2 3.73Å; L243-V248 PolarHBondContact O-N 3.34Å; A246-V248 VanDerWaalsContact C-N 3.32Å; A246-V248 HydrophobicContact CB-CG1 3.95Å; A246-V248 HydrophobicContact CB-CG2 4.11Å; A246-V248 PolarHBondContact O-N 3.05Å; V248-D268 HydrophobicContact CG1-CB 3.83Å | ||
| 249 | V | 94.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | trans | -92.6 | 123.9 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | S266 N267 | V249-S266 CarbonylContact O-C 3.52Å; V249-S266 VanDerWaalsContact O-CA 3.32Å; V249-S266 WeakPolarHBondContact O-CA 3.46Å; V249-S266 WeakPolarHBondContact O-CB 3.34Å; V249-N267 HydrophobicContact CB-CB 4.39Å; V249-N267 PolarHBondContact N-OD1 3.02Å; V249-N267 PolarHBondContact O-N 3.38Å; V249-N267 PolarHBondContact O-OD1 3.25Å | ||
| 250 | P | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 136.3 | 177.5 | 34.7 | -35.8 | 0 | 0 | 0 | 110.3 | L194 I207 L243 V264 | L194-P250 HydrophobicContact CD1-CB 3.69Å; L194-P250 HydrophobicContact CD1-CG 4.17Å; I207-P250 HydrophobicContact CB-CG 4.26Å; I207-P250 HydrophobicContact CG2-CB 4.25Å; I207-P250 HydrophobicContact CG2-CG 3.64Å; L243-P250 HydrophobicContact CD1-CB 4.28Å; P250-V264 HydrophobicContact CB-CG1 3.74Å |
| 251 | L | 96.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -33.4 | -173.2 | -62 | 172.5 | 0 | 0 | 0 | 113 | F265 N267 L323 | L251-F265 HydrophobicContact CB-CD1 4.2Å; L251-F265 HydrophobicContact CD1-CD1 4.06Å; L251-F265 HydrophobicContact CD1-CE1 3.93Å; L251-F265 PolarHBondContact N-O 3.09Å; L251-N267 HydrophobicContact CD1-CB 4.11Å; L251-N267 HydrophobicContact CD2-CB 4.5Å; L251-N267 HydrophobicContact CG-CB 4.36Å; L251-L323 HydrophobicContact CD1-CD1 4.1Å; L251-L323 HydrophobicContact CD1-CD2 3.77Å; L251-L323 HydrophobicContact CD1-CG 3.6Å; L251-L323 HydrophobicContact CD2-CD2 4.38Å; L251-L323 HydrophobicContact CD2-CG 4.24Å |
| 252 | C | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 136 | 177 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | T254 V264 F265 T326 V328 | C252-T254 PolarHBondContact SG-OG1 3.07Å; C252-T254 VanDerWaalsContact SG-OG1 3.4Å; C252-V264 CarbonylContact O-C 3.55Å; C252-V264 WeakPolarHBondContact O-CA 3.28Å; C252-F265 HydrophobicContact CB-CB 4.16Å; C252-F265 PolarHBondContact N-O 3.37Å; C252-F265 PolarHBondContact O-N 3.37Å; C252-T326 WeakPolarHBondContact CB-O 2.84Å; C252-V328 HydrophobicContact CB-CG2 4.43Å; C252-V328 PolarHBondContact SG-N 2.99Å |
| 253 | L | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.1 | 169 | 168.1 | 62.8 | 0 | 0 | 0 | 106.3 | L194 E196 I205 I207 F262 V263 V264 | L194-L253 HydrophobicContact CB-CB 4.22Å; L194-L253 HydrophobicContact CD1-CB 3.98Å; E196-L253 HydrophobicContact CB-CD2 3.73Å; E196-L253 HydrophobicContact CB-CG 3.89Å; E196-L253 HydrophobicContact CG-CB 4.11Å; E196-L253 HydrophobicContact CG-CD2 4.04Å; E196-L253 HydrophobicContact CG-CG 3.84Å; E196-L253 VanDerWaalsContact CG-O 3.29Å; E196-L253 WeakPolarHBondContact CG-O 3.38Å; I205-L253 HydrophobicContact CB-CD2 3.95Å; I205-L253 HydrophobicContact CG2-CD1 4.48Å; I205-L253 HydrophobicContact CG2-CD2 3.78Å; I207-L253 HydrophobicContact CD1-CB 4.34Å; I207-L253 HydrophobicContact CD1-CD1 4.29Å; I207-L253 HydrophobicContact CD1-CD2 4.15Å; I207-L253 HydrophobicContact CG1-CD2 4.27Å; L253-F262 HydrophobicContact CD1-CB 4.19Å; L253-F262 HydrophobicContact CD1-CD2 3.45Å; L253-F262 VanDerWaalsContact CD1-CD2 3.45Å; L253-F262 HydrophobicContact CD1-CE2 4.2Å; L253-F262 HydrophobicContact CD1-CG 4.17Å; L253-V263 WeakPolarHBondContact CA-O 3.44Å; L253-V264 HydrophobicContact CD1-CG2 3.98Å |
| 254 | T | 98 | Very high | 97.1 | Very high | 18 Ų | 18 | 42 Ų | 42 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.2 | -179.2 | -61 | 0 | 0 | 0 | 0 | 109.3 | C252 F262 V263 V328 Y330 | C252-T254 PolarHBondContact SG-OG1 3.07Å; C252-T254 VanDerWaalsContact SG-OG1 3.4Å; T254-F262 CarbonylContact O-C 3.5Å; T254-F262 VanDerWaalsContact O-CA 3.29Å; T254-F262 WeakPolarHBondContact O-CA 3.31Å; T254-V263 PolarHBondContact N-O 3.04Å; T254-V263 PolarHBondContact O-N 3.34Å; T254-V328 WeakPolarHBondContact CG2-O 3.41Å; T254-V328 PolarHBondContact OG1-O 2.85Å; T254-Y330 HydrophobicContact CG2-CD2 3.69Å; T254-Y330 HydrophobicContact CG2-CE2 4.17Å |
| 255 | I | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 40 Ų | 40 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.8 | -177.7 | -55.2 | 175 | 0 | 0 | 0 | 108.7 | E196 N198 I205 F262 | E196-I255 HydrophobicContact CB-CD1 3.83Å; E196-I255 HydrophobicContact CB-CG1 4.22Å; N198-I255 HydrophobicContact CB-CD1 3.9Å; N198-I255 HydrophobicContact CB-CG2 4.3Å; I205-I255 HydrophobicContact CD1-CD1 4Å; I205-I255 HydrophobicContact CD1-CG1 4.39Å; I205-I255 HydrophobicContact CG1-CD1 4.48Å; I255-F262 HydrophobicContact CB-CB 4.42Å; I255-F262 HydrophobicContact CG1-CB 3.96Å |
| 256 | R | 97.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 32.3 Ų | 32.3 | 20% | 0.204 | 17% | 0.165 | C | C | . | . | trans | -64.7 | 142.7 | 175.3 | -165.2 | 169.9 | 75.3 | -176.7 | 14.4 | 109.6 | D258 G259 E261 Y330 G334 | R256-D258 IonicContact CZ-OD1 3.75Å; R256-D258 IonicContact CZ-OD2 3.65Å; R256-D258 IonicContact NE-OD1 2.65Å; R256-D258 PolarHBondContact NE-OD1 2.78Å; R256-D258 IonicContact NE-OD2 3.57Å; R256-D258 PolarHBondContact NE-OD2 3.04Å; R256-D258 IonicContact NH2-OD1 3.82Å; R256-D258 PolarHBondContact NH2-OD1 3.32Å; R256-D258 IonicContact NH2-OD2 3.7Å; R256-D258 PolarHBondContact NH2-OD2 3.31Å; R256-D258 PolarHBondContact O-N 2.73Å; R256-G259 WeakPolarHBondContact O-CA 3.37Å; R256-G259 PolarHBondContact O-N 3.06Å; R256-E261 HydrophobicContact CB-CB 4.34Å; R256-E261 VanDerWaalsContact CB-O 3.29Å; R256-E261 WeakPolarHBondContact CB-O 3.43Å; R256-E261 PolarHBondContact N-O 3.32Å; R256-E261 IonicContact NH1-OE1 2.58Å; R256-Y330 HydrophobicContact CB-CD2 4.21Å; R256-Y330 HydrophobicContact CB-CE1 4.16Å; R256-Y330 HydrophobicContact CB-CE2 3.85Å; R256-Y330 HydrophobicContact CG-CD1 3.99Å; R256-Y330 HydrophobicContact CG-CD2 4.47Å; R256-Y330 HydrophobicContact CG-CE1 3.74Å; R256-Y330 HydrophobicContact CG-CE2 4.3Å; R256-Y330 HydrophobicContact CG-CG 4.33Å; R256-G334 WeakPolarHBondContact CD-O 3.22Å | ||
| 257 | P | 95.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 33.2 Ų | 33.2 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30.3 | -175.3 | -31.1 | 35.3 | 0 | 0 | 0 | 116.1 | G259 D331 | P257-G259 VanDerWaalsContact C-N 3.26Å; P257-G259 PolarHBondContact O-N 3.19Å; P257-D331 WeakPolarHBondContact CG-O 3.27Å |
| 258 | D | 95.7 | Very high | 97.1 | Very high | 58 Ų | 58 | 26.1 Ų | 26.1 | 31% | 0.31 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.7 | 175.9 | 76.3 | -15 | 0 | 0 | 0 | 114.3 | R256 K260 | R256-D258 IonicContact CZ-OD1 3.75Å; R256-D258 IonicContact CZ-OD2 3.65Å; R256-D258 IonicContact NE-OD1 2.65Å; R256-D258 PolarHBondContact NE-OD1 2.78Å; R256-D258 IonicContact NE-OD2 3.57Å; R256-D258 PolarHBondContact NE-OD2 3.04Å; R256-D258 IonicContact NH2-OD1 3.82Å; R256-D258 PolarHBondContact NH2-OD1 3.32Å; R256-D258 IonicContact NH2-OD2 3.7Å; R256-D258 PolarHBondContact NH2-OD2 3.31Å; R256-D258 PolarHBondContact O-N 2.73Å; D258-K260 PolarHBondContact O-N 3.17Å; D258-K260 PolarHBondContact OD1-N 2.93Å; D258-K260 WeakPolarHBondContact OD2-CD 3.49Å |
| 259 | G | 97 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 72.8 | 1.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N198 F201 R256 P257 F276 | N198-G259 PolarHBondContact ND2-O 3.01Å; N198-G259 WeakPolarHBondContact OD1-CA 3.44Å; F201-G259 WeakPolarHBondContact CD2-O 3.34Å; F201-G259 WeakPolarHBondContact CE2-O 3.4Å; R256-G259 WeakPolarHBondContact O-CA 3.37Å; R256-G259 PolarHBondContact O-N 3.06Å; P257-G259 VanDerWaalsContact C-N 3.26Å; P257-G259 PolarHBondContact O-N 3.19Å; G259-F276 VanDerWaalsContact O-CB 3.25Å; G259-F276 WeakPolarHBondContact O-CB 3.42Å; G259-F276 WeakPolarHBondContact O-CG 3.26Å |
| 260 | K | 97.3 | Very high | 97.2 | Very high | 122 Ų | 122 | 25.9 Ų | 25.9 | 53% | 0.53 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -84.5 | -15.8 | -170.6 | -63.5 | -177.3 | -170 | 162.5 | 0 | 114 | F201 D258 F276 | F201-K260 HydrophobicContact CE2-CG 4.29Å; F201-K260 HydrophobicContact CZ-CG 4.44Å; D258-K260 PolarHBondContact O-N 3.17Å; D258-K260 PolarHBondContact OD1-N 2.93Å; D258-K260 WeakPolarHBondContact OD2-CD 3.49Å; K260-F276 WeakPolarHBondContact O-CB 3.16Å; K260-F276 PolarHBondContact O-N 2.77Å |
| 261 | E | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 146.3 | -178.8 | -174.4 | 175.5 | 68.1 | 0 | 0 | 109.3 | R256 F273 Y274 T282 Y330 | R256-E261 HydrophobicContact CB-CB 4.34Å; R256-E261 VanDerWaalsContact CB-O 3.29Å; R256-E261 WeakPolarHBondContact CB-O 3.43Å; R256-E261 PolarHBondContact N-O 3.32Å; R256-E261 IonicContact NH1-OE1 2.58Å; E261-F273 HydrophobicContact CG-CB 4.48Å; E261-F273 HydrophobicContact CG-CD1 4.39Å; E261-Y274 CarbonylContact C-O 3.59Å; E261-Y274 VanDerWaalsContact CA-O 3.26Å; E261-Y274 WeakPolarHBondContact CA-O 3.2Å; E261-Y274 WeakPolarHBondContact CG-O 3.46Å; E261-T282 PolarHBondContact OE2-OG1 3.18Å; E261-Y330 PolarHBondContact OE1-OH 3.27Å |
| 262 | F | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155 | 168 | 67.6 | -85.5 | 0 | 0 | 0 | 110 | I205 I213 Y215 L240 L253 T254 I255 V264 Y274 F276 | I205-F262 HydrophobicContact CD1-CB 4.36Å; I205-F262 HydrophobicContact CD1-CD1 3.78Å; I205-F262 HydrophobicContact CD1-CD2 4.41Å; I205-F262 HydrophobicContact CD1-CE1 4.14Å; I205-F262 HydrophobicContact CD1-CG 3.92Å; I213-F262 HydrophobicContact CD1-CE2 4.36Å; Y215-F262 HydrophobicContact CE1-CE1 4.34Å; Y215-F262 HydrophobicContact CE1-CZ 4.43Å; Y215-F262 WeakPolarHBondContact OH-CE1 3.33Å; L240-F262 HydrophobicContact CD2-CZ 4.12Å; L253-F262 HydrophobicContact CD1-CB 4.19Å; L253-F262 HydrophobicContact CD1-CD2 3.45Å; L253-F262 VanDerWaalsContact CD1-CD2 3.45Å; L253-F262 HydrophobicContact CD1-CE2 4.2Å; L253-F262 HydrophobicContact CD1-CG 4.17Å; T254-F262 CarbonylContact O-C 3.5Å; T254-F262 VanDerWaalsContact O-CA 3.29Å; T254-F262 WeakPolarHBondContact O-CA 3.31Å; I255-F262 HydrophobicContact CB-CB 4.42Å; I255-F262 HydrophobicContact CG1-CB 3.96Å; F262-V264 HydrophobicContact CD2-CG2 4.11Å; F262-V264 HydrophobicContact CE2-CG2 4.04Å; F262-Y274 HydrophobicContact CD2-CD2 4.1Å; F262-Y274 HydrophobicContact CD2-CG 4.34Å; F262-Y274 HydrophobicContact CE1-CG 4.09Å; F262-Y274 HydrophobicContact CE2-CD1 4.39Å; F262-Y274 AromaticContact CE2-CD2 3.54Å; F262-Y274 HydrophobicContact CE2-CD2 3.54Å; F262-Y274 HydrophobicContact CE2-CE2 4.31Å; F262-Y274 AromaticContact CE2-CG 3.6Å; F262-Y274 HydrophobicContact CE2-CG 3.6Å; F262-Y274 HydrophobicContact CZ-CD1 4Å; F262-Y274 AromaticContact CZ-CD2 3.94Å; F262-Y274 HydrophobicContact CZ-CD2 3.94Å; F262-Y274 AromaticContact CZ-CG 3.46Å; F262-Y274 HydrophobicContact CZ-CG 3.46Å; F262-Y274 VanDerWaalsContact CZ-CG 3.46Å; F262-Y274 PolarHBondContact N-O 3.11Å; F262-Y274 PolarHBondContact O-N 3.09Å; F262-F276 HydrophobicContact CD1-CB 4.46Å; F262-F276 HydrophobicContact CD1-CD2 4.43Å |
| 263 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.7 | -176.2 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | L253 T254 L271 R272 F273 Y330 L337 | L253-V263 WeakPolarHBondContact CA-O 3.44Å; T254-V263 PolarHBondContact N-O 3.04Å; T254-V263 PolarHBondContact O-N 3.34Å; V263-L271 HydrophobicContact CG1-CB 4.08Å; V263-L271 HydrophobicContact CG1-CD2 3.76Å; V263-R272 WeakPolarHBondContact CA-O 3.4Å; V263-F273 HydrophobicContact CG1-CD1 4.48Å; V263-F273 HydrophobicContact CG1-CD2 4.21Å; V263-F273 HydrophobicContact CG1-CE1 4.37Å; V263-F273 HydrophobicContact CG1-CE2 4.09Å; V263-F273 HydrophobicContact CG1-CG 4.4Å; V263-F273 HydrophobicContact CG1-CZ 4.18Å; V263-F273 HydrophobicContact CG2-CD1 3.33Å; V263-F273 HydrophobicContact CG2-CD2 4.45Å; V263-F273 HydrophobicContact CG2-CE1 3.41Å; V263-F273 VanDerWaalsContact CG2-CE1 3.41Å; V263-F273 HydrophobicContact CG2-CG 3.89Å; V263-F273 HydrophobicContact CG2-CZ 4.05Å; V263-Y330 HydrophobicContact CG2-CE2 4Å; V263-Y330 WeakPolarHBondContact CG2-OH 3.4Å; V263-L337 HydrophobicContact CG1-CD2 4.25Å; V263-L337 HydrophobicContact CG2-CD1 4.44Å; V263-L337 HydrophobicContact CG2-CD2 4.35Å |
| 264 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.9 | 171 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | I207 L243 P250 C252 L253 F262 L271 R272 Y274 | I207-V264 HydrophobicContact CD1-CG1 4.23Å; I207-V264 HydrophobicContact CD1-CG2 3.7Å; L243-V264 HydrophobicContact CD1-CG1 3.97Å; L243-V264 HydrophobicContact CD2-CG1 4.33Å; P250-V264 HydrophobicContact CB-CG1 3.74Å; C252-V264 CarbonylContact O-C 3.55Å; C252-V264 WeakPolarHBondContact O-CA 3.28Å; L253-V264 HydrophobicContact CD1-CG2 3.98Å; F262-V264 HydrophobicContact CD2-CG2 4.11Å; F262-V264 HydrophobicContact CE2-CG2 4.04Å; V264-L271 WeakPolarHBondContact O-CA 3.44Å; V264-R272 PolarHBondContact N-O 3.5Å; V264-R272 PolarHBondContact O-N 2.95Å; V264-Y274 HydrophobicContact CB-CE2 4.31Å; V264-Y274 HydrophobicContact CG2-CD2 4.29Å; V264-Y274 HydrophobicContact CG2-CE2 4Å |
| 265 | F | 98 | Very high | 97.3 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.7 | 166.4 | -174.6 | -115.6 | 0 | 0 | 0 | 109.4 | L251 C252 K270 L271 T326 V328 | L251-F265 HydrophobicContact CB-CD1 4.2Å; L251-F265 HydrophobicContact CD1-CD1 4.06Å; L251-F265 HydrophobicContact CD1-CE1 3.93Å; L251-F265 PolarHBondContact N-O 3.09Å; C252-F265 HydrophobicContact CB-CB 4.16Å; C252-F265 PolarHBondContact N-O 3.37Å; C252-F265 PolarHBondContact O-N 3.37Å; F265-K270 WeakPolarHBondContact CA-O 3.28Å; F265-L271 HydrophobicContact CB-CD2 3.82Å; F265-L271 HydrophobicContact CD2-CD2 3.67Å; F265-L271 HydrophobicContact CD2-CG 3.91Å; F265-L271 HydrophobicContact CG-CD2 4.14Å; F265-T326 HydrophobicContact CD1-CG2 3.87Å; F265-T326 HydrophobicContact CE1-CG2 3.71Å; F265-V328 HydrophobicContact CB-CG2 3.97Å; F265-V328 HydrophobicContact CG-CG2 4.35Å |
| 266 | S | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165.4 | -174.7 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | V249 D268 G269 K270 | V249-S266 CarbonylContact O-C 3.52Å; V249-S266 VanDerWaalsContact O-CA 3.32Å; V249-S266 WeakPolarHBondContact O-CA 3.46Å; V249-S266 WeakPolarHBondContact O-CB 3.34Å; S266-D268 WeakPolarHBondContact CB-OD1 3.38Å; S266-D268 PolarHBondContact O-N 2.93Å; S266-G269 PolarHBondContact O-N 3.37Å; S266-K270 PolarHBondContact N-O 3.31Å |
| 267 | N | 95.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 26 Ų | 26 | 31% | 0.31 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -0.8 | -177 | 74.5 | -28.2 | 0 | 0 | 0 | 115.3 | V249 L251 G269 Y317 L323 | V249-N267 HydrophobicContact CB-CB 4.39Å; V249-N267 PolarHBondContact N-OD1 3.02Å; V249-N267 PolarHBondContact O-N 3.38Å; V249-N267 PolarHBondContact O-OD1 3.25Å; L251-N267 HydrophobicContact CD1-CB 4.11Å; L251-N267 HydrophobicContact CD2-CB 4.5Å; L251-N267 HydrophobicContact CG-CB 4.36Å; N267-G269 VanDerWaalsContact C-N 3.27Å; N267-Y317 WeakPolarHBondContact O-CD1 3.48Å; N267-Y317 WeakPolarHBondContact O-CE1 3.34Å; N267-L323 HydrophobicContact CB-CD2 4.18Å |
| 268 | D | 94.7 | Very high | 97.3 | Very high | 43 Ų | 43 | 25.2 Ų | 25.2 | 23% | 0.23 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2 | 167 | 67.4 | -19.9 | 0 | 0 | 0 | 112.8 | V248 S266 K270 R272 | V248-D268 HydrophobicContact CG1-CB 3.83Å; S266-D268 WeakPolarHBondContact CB-OD1 3.38Å; S266-D268 PolarHBondContact O-N 2.93Å; D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 PolarHBondContact OD1-N 3.42Å; D268-K270 WeakPolarHBondContact OD2-CD 3.45Å; D268-R272 IonicContact OD1-CZ 3.88Å; D268-R272 IonicContact OD1-NH1 2.76Å; D268-R272 PolarHBondContact OD1-NH1 3.41Å; D268-R272 VanDerWaalsContact OD1-NH1 3.09Å; D268-R272 IonicContact OD1-NH2 3.38Å; D268-R272 IonicContact OD2-CZ 2.77Å; D268-R272 IonicContact OD2-NH1 3.55Å; D268-R272 PolarHBondContact OD2-NH1 3.33Å; D268-R272 IonicContact OD2-NH2 2.76Å; D268-R272 PolarHBondContact OD2-NH2 2.94Å |
| 269 | G | 94.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 78.1 | 14.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S266 N267 E287 G288 Y317 | S266-G269 PolarHBondContact O-N 3.37Å; N267-G269 VanDerWaalsContact C-N 3.27Å; G269-E287 CarbonylContact O-C 3.52Å; G269-E287 VanDerWaalsContact O-C 3.26Å; G269-E287 WeakPolarHBondContact O-CA 3.3Å; G269-E287 VanDerWaalsContact O-CB 3.24Å; G269-E287 WeakPolarHBondContact O-CB 3.37Å; G269-E287 PolarHBondContact O-N 3.25Å; G269-G288 PolarHBondContact O-N 3.42Å; G269-Y317 WeakPolarHBondContact CA-OH 3.34Å |
| 270 | K | 97.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 27.1 Ų | 27.1 | 25% | 0.248 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.2 | -178.1 | -58 | -172.2 | -176 | 179 | 0 | 112.7 | F265 S266 D268 V284 I285 D286 | F265-K270 WeakPolarHBondContact CA-O 3.28Å; S266-K270 PolarHBondContact N-O 3.31Å; D268-K270 VanDerWaalsContact C-N 3.33Å; D268-K270 PolarHBondContact OD1-N 3.42Å; D268-K270 WeakPolarHBondContact OD2-CD 3.45Å; K270-V284 HydrophobicContact CB-CG1 4.19Å; K270-V284 HydrophobicContact CD-CG1 4.12Å; K270-I285 CarbonylContact C-O 3.47Å; K270-I285 VanDerWaalsContact CA-O 3.29Å; K270-I285 WeakPolarHBondContact CA-O 3.37Å; K270-D286 WeakPolarHBondContact CE-OD2 3.38Å; K270-D286 HydrophobicContact CG-CB 4.46Å; K270-D286 IonicContact NZ-OD2 3.29Å |
| 271 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.1 | 167.3 | -67.6 | 161.5 | 0 | 0 | 0 | 108.7 | V263 V264 F265 F273 V284 I285 V328 L337 Y339 | V263-L271 HydrophobicContact CG1-CB 4.08Å; V263-L271 HydrophobicContact CG1-CD2 3.76Å; V264-L271 WeakPolarHBondContact O-CA 3.44Å; F265-L271 HydrophobicContact CB-CD2 3.82Å; F265-L271 HydrophobicContact CD2-CD2 3.67Å; F265-L271 HydrophobicContact CD2-CG 3.91Å; F265-L271 HydrophobicContact CG-CD2 4.14Å; L271-F273 HydrophobicContact CB-CE2 3.89Å; L271-V284 CarbonylContact O-C 3.52Å; L271-V284 VanDerWaalsContact O-CA 3.31Å; L271-V284 WeakPolarHBondContact O-CA 3.38Å; L271-I285 HydrophobicContact CB-CB 4.23Å; L271-I285 HydrophobicContact CD1-CG2 4.34Å; L271-I285 PolarHBondContact N-O 3.03Å; L271-I285 PolarHBondContact O-N 3.07Å; L271-V328 HydrophobicContact CD2-CG1 4.37Å; L271-V328 HydrophobicContact CD2-CG2 3.99Å; L271-L337 HydrophobicContact CD1-CD2 4.29Å; L271-L337 HydrophobicContact CD2-CD2 4.49Å; L271-Y339 HydrophobicContact CD1-CD1 4Å; L271-Y339 HydrophobicContact CD1-CD2 3.84Å; L271-Y339 HydrophobicContact CD1-CE1 3.86Å; L271-Y339 HydrophobicContact CD1-CE2 3.69Å; L271-Y339 HydrophobicContact CD1-CG 4Å |
| 272 | R | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 3% | 0.034 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.4 | 177 | -66.1 | 170.6 | 176.8 | 78.1 | 3.1 | 109.2 | V263 V264 D268 Y274 V284 | V263-R272 WeakPolarHBondContact CA-O 3.4Å; V264-R272 PolarHBondContact N-O 3.5Å; V264-R272 PolarHBondContact O-N 2.95Å; D268-R272 IonicContact OD1-CZ 3.88Å; D268-R272 IonicContact OD1-NH1 2.76Å; D268-R272 PolarHBondContact OD1-NH1 3.41Å; D268-R272 VanDerWaalsContact OD1-NH1 3.09Å; D268-R272 IonicContact OD1-NH2 3.38Å; D268-R272 IonicContact OD2-CZ 2.77Å; D268-R272 IonicContact OD2-NH1 3.55Å; D268-R272 PolarHBondContact OD2-NH1 3.33Å; D268-R272 IonicContact OD2-NH2 2.76Å; D268-R272 PolarHBondContact OD2-NH2 2.94Å; R272-Y274 HydrophobicContact CB-CD2 4.39Å; R272-Y274 HydrophobicContact CB-CE2 3.63Å; R272-Y274 WeakPolarHBondContact O-CD2 3.35Å; R272-V284 HydrophobicContact CG-CG1 4.15Å; R272-V284 HydrophobicContact CG-CG2 4.06Å |
| 273 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.7 | -178.6 | -68 | -111.4 | 0 | 0 | 0 | 108.9 | E261 V263 L271 I281 T282 K283 I285 L337 L348 | E261-F273 HydrophobicContact CG-CB 4.48Å; E261-F273 HydrophobicContact CG-CD1 4.39Å; V263-F273 HydrophobicContact CG1-CD1 4.48Å; V263-F273 HydrophobicContact CG1-CD2 4.21Å; V263-F273 HydrophobicContact CG1-CE1 4.37Å; V263-F273 HydrophobicContact CG1-CE2 4.09Å; V263-F273 HydrophobicContact CG1-CG 4.4Å; V263-F273 HydrophobicContact CG1-CZ 4.18Å; V263-F273 HydrophobicContact CG2-CD1 3.33Å; V263-F273 HydrophobicContact CG2-CD2 4.45Å; V263-F273 HydrophobicContact CG2-CE1 3.41Å; V263-F273 VanDerWaalsContact CG2-CE1 3.41Å; V263-F273 HydrophobicContact CG2-CG 3.89Å; V263-F273 HydrophobicContact CG2-CZ 4.05Å; L271-F273 HydrophobicContact CB-CE2 3.89Å; F273-I281 CarbonylContact O-C 3.57Å; F273-I281 WeakPolarHBondContact O-CA 3.34Å; F273-T282 WeakPolarHBondContact CB-OG1 3.29Å; F273-T282 PolarHBondContact O-N 3.2Å; F273-T282 PolarHBondContact O-OG1 3.23Å; F273-K283 HydrophobicContact CB-CG 3.66Å; F273-K283 HydrophobicContact CD1-CD 4.39Å; F273-K283 HydrophobicContact CD1-CG 4.29Å; F273-K283 HydrophobicContact CD2-CD 4.07Å; F273-K283 VanDerWaalsContact CD2-CE 3.5Å; F273-K283 HydrophobicContact CD2-CG 3.49Å; F273-K283 VanDerWaalsContact CD2-CG 3.49Å; F273-K283 HydrophobicContact CE2-CD 4.32Å; F273-K283 HydrophobicContact CE2-CG 4.19Å; F273-K283 HydrophobicContact CG-CD 4.1Å; F273-K283 HydrophobicContact CG-CG 3.56Å; F273-K283 VanDerWaalsContact CZ-CE 3.4Å; F273-K283 PolarHBondContact N-O 2.95Å; F273-I285 HydrophobicContact CE2-CD1 3.87Å; F273-I285 HydrophobicContact CE2-CG1 4.35Å; F273-I285 HydrophobicContact CZ-CD1 4.21Å; F273-L337 HydrophobicContact CE1-CD2 3.94Å; F273-L337 HydrophobicContact CE2-CD2 4.48Å; F273-L337 HydrophobicContact CZ-CD2 3.51Å; F273-L348 HydrophobicContact CZ-CD2 3.98Å |
| 274 | Y | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.5 | -179 | -67.8 | -98.6 | 0 | 0 | 0 | 109.6 | I213 D239 L240 E261 F262 V264 R272 F276 K280 I281 | I213-Y274 HydrophobicContact CD1-CE1 4.32Å; I213-Y274 HydrophobicContact CD1-CE2 4.5Å; D239-Y274 HydrophobicContact CB-CE1 4.42Å; L240-Y274 HydrophobicContact CD2-CD1 4.23Å; L240-Y274 HydrophobicContact CD2-CE1 4.45Å; E261-Y274 CarbonylContact C-O 3.59Å; E261-Y274 VanDerWaalsContact CA-O 3.26Å; E261-Y274 WeakPolarHBondContact CA-O 3.2Å; E261-Y274 WeakPolarHBondContact CG-O 3.46Å; F262-Y274 HydrophobicContact CD2-CD2 4.1Å; F262-Y274 HydrophobicContact CD2-CG 4.34Å; F262-Y274 HydrophobicContact CE1-CG 4.09Å; F262-Y274 HydrophobicContact CE2-CD1 4.39Å; F262-Y274 AromaticContact CE2-CD2 3.54Å; F262-Y274 HydrophobicContact CE2-CD2 3.54Å; F262-Y274 HydrophobicContact CE2-CE2 4.31Å; F262-Y274 AromaticContact CE2-CG 3.6Å; F262-Y274 HydrophobicContact CE2-CG 3.6Å; F262-Y274 HydrophobicContact CZ-CD1 4Å; F262-Y274 AromaticContact CZ-CD2 3.94Å; F262-Y274 HydrophobicContact CZ-CD2 3.94Å; F262-Y274 AromaticContact CZ-CG 3.46Å; F262-Y274 HydrophobicContact CZ-CG 3.46Å; F262-Y274 VanDerWaalsContact CZ-CG 3.46Å; F262-Y274 PolarHBondContact N-O 3.11Å; F262-Y274 PolarHBondContact O-N 3.09Å; V264-Y274 HydrophobicContact CB-CE2 4.31Å; V264-Y274 HydrophobicContact CG2-CD2 4.29Å; V264-Y274 HydrophobicContact CG2-CE2 4Å; R272-Y274 HydrophobicContact CB-CD2 4.39Å; R272-Y274 HydrophobicContact CB-CE2 3.63Å; R272-Y274 WeakPolarHBondContact O-CD2 3.35Å; Y274-F276 PolarHBondContact O-N 3.25Å; Y274-K280 CarbonylContact C-O 3.55Å; Y274-K280 WeakPolarHBondContact CA-O 3.36Å; Y274-I281 HydrophobicContact CD1-CG1 3.69Å; Y274-I281 HydrophobicContact CE1-CD1 3.84Å; Y274-I281 HydrophobicContact CE1-CG1 3.35Å; Y274-I281 HydrophobicContact CE2-CG1 4.23Å; Y274-I281 HydrophobicContact CG-CG1 4.27Å |
| 275 | K | 97.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 26.5 Ų | 26.5 | 40% | 0.404 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.4 | 167.5 | -177.8 | 177.4 | -178.1 | -169.7 | 0 | 108.4 | S277 N278 G279 K280 T282 | K275-S277 WeakPolarHBondContact CE-OG 3.3Å; K275-S277 PolarHBondContact O-N 3.5Å; K275-N278 WeakPolarHBondContact CB-OD1 3.46Å; K275-N278 PolarHBondContact O-N 3.24Å; K275-G279 WeakPolarHBondContact O-CA 3.45Å; K275-G279 PolarHBondContact O-N 3.06Å; K275-K280 PolarHBondContact N-O 2.71Å; K275-T282 HydrophobicContact CB-CG2 3.79Å |
| 276 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -42.7 | -174.8 | 176.4 | -99.5 | 0 | 0 | 0 | 112.1 | N198 F201 T203 I205 Y215 V230 G259 K260 F262 Y274 N278 | N198-F276 HydrophobicContact CB-CE2 4.23Å; N198-F276 WeakPolarHBondContact ND2-CD2 3.44Å; N198-F276 VanDerWaalsContact ND2-CE2 3.27Å; N198-F276 WeakPolarHBondContact ND2-CE2 3.49Å; F201-F276 HydrophobicContact CB-CE1 3.61Å; F201-F276 HydrophobicContact CB-CZ 3.87Å; F201-F276 HydrophobicContact CD1-CE1 4.33Å; F201-F276 AromaticContact CD2-CD1 3.78Å; F201-F276 HydrophobicContact CD2-CD1 3.78Å; F201-F276 AromaticContact CD2-CE1 3.74Å; F201-F276 HydrophobicContact CD2-CE1 3.74Å; F201-F276 HydrophobicContact CE2-CD1 4.17Å; F201-F276 HydrophobicContact CG-CD1 4.12Å; F201-F276 AromaticContact CG-CE1 3.63Å; F201-F276 HydrophobicContact CG-CE1 3.63Å; F201-F276 HydrophobicContact CG-CZ 4.35Å; T203-F276 HydrophobicContact CG2-CE2 4.02Å; T203-F276 HydrophobicContact CG2-CZ 3.85Å; I205-F276 HydrophobicContact CD1-CD2 3.95Å; I205-F276 HydrophobicContact CD1-CE2 4.01Å; I205-F276 HydrophobicContact CG1-CE2 4.31Å; Y215-F276 HydrophobicContact CD2-CE2 4.09Å; Y215-F276 HydrophobicContact CD2-CZ 4.3Å; Y215-F276 AromaticContact CE2-CD2 3.78Å; Y215-F276 HydrophobicContact CE2-CD2 3.78Å; Y215-F276 AromaticContact CE2-CE2 3.45Å; Y215-F276 HydrophobicContact CE2-CE2 3.45Å; Y215-F276 VanDerWaalsContact CE2-CE2 3.45Å; Y215-F276 HydrophobicContact CE2-CG 4.47Å; Y215-F276 AromaticContact CE2-CZ 3.88Å; Y215-F276 HydrophobicContact CE2-CZ 3.88Å; Y215-F276 AromaticContact CZ-CD2 3.74Å; Y215-F276 AromaticContact CZ-CE2 3.74Å; Y215-F276 WeakPolarHBondContact OH-CD2 3.5Å; Y215-F276 PolarHBondContact OH-O 2.97Å; V230-F276 HydrophobicContact CG2-CE1 3.9Å; V230-F276 HydrophobicContact CG2-CZ 4.07Å; G259-F276 VanDerWaalsContact O-CB 3.25Å; G259-F276 WeakPolarHBondContact O-CB 3.42Å; G259-F276 WeakPolarHBondContact O-CG 3.26Å; K260-F276 WeakPolarHBondContact O-CB 3.16Å; K260-F276 PolarHBondContact O-N 2.77Å; F262-F276 HydrophobicContact CD1-CB 4.46Å; F262-F276 HydrophobicContact CD1-CD2 4.43Å; Y274-F276 PolarHBondContact O-N 3.25Å; F276-N278 PolarHBondContact O-N 3.35Å |
| 277 | S | 97.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -30.7 | -169.7 | 86.6 | 0 | 0 | 0 | 0 | 114.8 | G229 D231 W232 K275 | G229-S277 WeakPolarHBondContact O-CA 3.26Å; G229-S277 WeakPolarHBondContact O-CB 3.22Å; D231-S277 PolarHBondContact N-O 2.91Å; D231-S277 WeakPolarHBondContact OD2-CB 3.23Å; D231-S277 PolarHBondContact OD2-OG 3.29Å; W232-S277 VanDerWaalsContact CD1-O 3.22Å; K275-S277 WeakPolarHBondContact CE-OG 3.3Å; K275-S277 PolarHBondContact O-N 3.5Å |
| 278 | N | 96.7 | Very high | 96.8 | Very high | 43 Ų | 43 | 25.9 Ų | 25.9 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 1.2 | -179.9 | 68.5 | 7 | 0 | 0 | 0 | 113.6 | W232 T238 K275 F276 K280 | W232-N278 VanDerWaalsContact CD1-C 3.49Å; T238-N278 WeakPolarHBondContact CG2-O 3.44Å; K275-N278 WeakPolarHBondContact CB-OD1 3.46Å; K275-N278 PolarHBondContact O-N 3.24Å; F276-N278 PolarHBondContact O-N 3.35Å; N278-K280 HydrophobicContact CB-CG 4.48Å; N278-K280 PolarHBondContact O-N 2.82Å; N278-K280 VanDerWaalsContact O-N 3.13Å; N278-K280 WeakPolarHBondContact OD1-CB 3.37Å; N278-K280 PolarHBondContact OD1-N 3.18Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å |
| 279 | G | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 16.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D239 K275 | D239-G279 PolarHBondContact N-O 3.33Å; K275-G279 WeakPolarHBondContact O-CA 3.45Å; K275-G279 PolarHBondContact O-N 3.06Å |
| 280 | K | 98.2 | Very high | 96.6 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 43% | 0.426 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 146.1 | -177.8 | -64.1 | -172.2 | 177.9 | -179 | 0 | 112 | E237 D239 Y274 K275 N278 T282 | E237-K280 WeakPolarHBondContact O-CE 3.18Å; D239-K280 VanDerWaalsContact OD2-CA 3.28Å; D239-K280 WeakPolarHBondContact OD2-CA 3.25Å; D239-K280 WeakPolarHBondContact OD2-CB 3.41Å; Y274-K280 CarbonylContact C-O 3.55Å; Y274-K280 WeakPolarHBondContact CA-O 3.36Å; K275-K280 PolarHBondContact N-O 2.71Å; N278-K280 HydrophobicContact CB-CG 4.48Å; N278-K280 PolarHBondContact O-N 2.82Å; N278-K280 VanDerWaalsContact O-N 3.13Å; N278-K280 WeakPolarHBondContact OD1-CB 3.37Å; N278-K280 PolarHBondContact OD1-N 3.18Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å; K280-T282 PolarHBondContact O-N 3.5Å |
| 281 | I | 97.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 126.1 | 174.7 | -68.4 | 170.8 | 0 | 0 | 0 | 109.1 | D239 E242 F273 Y274 V284 | D239-I281 HydrophobicContact CB-CB 4.35Å; D239-I281 HydrophobicContact CB-CD1 4.03Å; D239-I281 HydrophobicContact CB-CG1 3.83Å; D239-I281 PolarHBondContact OD2-N 2.9Å; E242-I281 HydrophobicContact CB-CD1 3.68Å; E242-I281 HydrophobicContact CG-CD1 3.54Å; F273-I281 CarbonylContact O-C 3.57Å; F273-I281 WeakPolarHBondContact O-CA 3.34Å; Y274-I281 HydrophobicContact CD1-CG1 3.69Å; Y274-I281 HydrophobicContact CE1-CD1 3.84Å; Y274-I281 HydrophobicContact CE1-CG1 3.35Å; Y274-I281 HydrophobicContact CE2-CG1 4.23Å; Y274-I281 HydrophobicContact CG-CG1 4.27Å; I281-V284 HydrophobicContact CG2-CG2 3.65Å |
| 282 | T | 96.2 | Very high | 96.2 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 41% | 0.411 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -35.6 | 177.8 | 56 | 0 | 0 | 0 | 0 | 111.8 | E261 F273 K275 K280 | E261-T282 PolarHBondContact OE2-OG1 3.18Å; F273-T282 WeakPolarHBondContact CB-OG1 3.29Å; F273-T282 PolarHBondContact O-N 3.2Å; F273-T282 PolarHBondContact O-OG1 3.23Å; K275-T282 HydrophobicContact CB-CG2 3.79Å; K280-T282 PolarHBondContact O-N 3.5Å |
| 283 | K | 95.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.2 | 177.4 | 62.6 | -178.8 | -178.4 | -172.3 | 0 | 111.5 | L18 F273 V350 N353 | L18-K283 HydrophobicContact CD2-CB 4.28Å; F273-K283 HydrophobicContact CB-CG 3.66Å; F273-K283 HydrophobicContact CD1-CD 4.39Å; F273-K283 HydrophobicContact CD1-CG 4.29Å; F273-K283 HydrophobicContact CD2-CD 4.07Å; F273-K283 VanDerWaalsContact CD2-CE 3.5Å; F273-K283 HydrophobicContact CD2-CG 3.49Å; F273-K283 VanDerWaalsContact CD2-CG 3.49Å; F273-K283 HydrophobicContact CE2-CD 4.32Å; F273-K283 HydrophobicContact CE2-CG 4.19Å; F273-K283 HydrophobicContact CG-CD 4.1Å; F273-K283 HydrophobicContact CG-CG 3.56Å; F273-K283 VanDerWaalsContact CZ-CE 3.4Å; F273-K283 PolarHBondContact N-O 2.95Å; K283-V350 PolarHBondContact NZ-O 2.6Å; K283-N353 VanDerWaalsContact CD-OD1 3.23Å; K283-N353 WeakPolarHBondContact CD-OD1 3.46Å; K283-N353 PolarHBondContact NZ-OD1 3.21Å |
| 284 | V | 97.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.7 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | S19 K270 L271 R272 I281 | S19-V284 PolarHBondContact N-O 3.08Å; S19-V284 VanDerWaalsContact N-O 3.16Å; S19-V284 VanDerWaalsContact OG-CB 3.3Å; S19-V284 WeakPolarHBondContact OG-CB 3.49Å; S19-V284 WeakPolarHBondContact OG-CG1 3.4Å; K270-V284 HydrophobicContact CB-CG1 4.19Å; K270-V284 HydrophobicContact CD-CG1 4.12Å; L271-V284 CarbonylContact O-C 3.52Å; L271-V284 VanDerWaalsContact O-CA 3.31Å; L271-V284 WeakPolarHBondContact O-CA 3.38Å; R272-V284 HydrophobicContact CG-CG1 4.15Å; R272-V284 HydrophobicContact CG-CG2 4.06Å; I281-V284 HydrophobicContact CG2-CG2 3.65Å |
| 285 | I | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.7 | 176.5 | -70.4 | 172 | 0 | 0 | 0 | 108.4 | P16 L18 K270 L271 F273 E287 L348 | P16-I285 HydrophobicContact CB-CB 4.47Å; P16-I285 HydrophobicContact CB-CD1 4.42Å; P16-I285 HydrophobicContact CB-CG1 4.29Å; P16-I285 HydrophobicContact CB-CG2 3.52Å; P16-I285 HydrophobicContact CG-CD1 3.95Å; P16-I285 HydrophobicContact CG-CG1 4.27Å; P16-I285 HydrophobicContact CG-CG2 4.17Å; L18-I285 HydrophobicContact CD2-CG1 4.23Å; K270-I285 CarbonylContact C-O 3.47Å; K270-I285 VanDerWaalsContact CA-O 3.29Å; K270-I285 WeakPolarHBondContact CA-O 3.37Å; L271-I285 HydrophobicContact CB-CB 4.23Å; L271-I285 HydrophobicContact CD1-CG2 4.34Å; L271-I285 PolarHBondContact N-O 3.03Å; L271-I285 PolarHBondContact O-N 3.07Å; F273-I285 HydrophobicContact CE2-CD1 3.87Å; F273-I285 HydrophobicContact CE2-CG1 4.35Å; F273-I285 HydrophobicContact CZ-CD1 4.21Å; I285-E287 HydrophobicContact CG2-CG 4.02Å; I285-L348 HydrophobicContact CD1-CD1 4.22Å; I285-L348 HydrophobicContact CD1-CD2 3.31Å; I285-L348 HydrophobicContact CD1-CG 4.41Å |
| 286 | D | 95.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.8 | 179.5 | -164.3 | -24.6 | 0 | 0 | 0 | 111.1 | K270 G288 N291 | K270-D286 WeakPolarHBondContact CE-OD2 3.38Å; K270-D286 HydrophobicContact CG-CB 4.46Å; K270-D286 IonicContact NZ-OD2 3.29Å; D286-G288 WeakPolarHBondContact OD1-CA 3.12Å; D286-G288 PolarHBondContact OD1-N 2.97Å; D286-N291 PolarHBondContact O-ND2 3.4Å |
| 287 | E | 95.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | trans | -106.8 | 22 | 171.5 | -60 | -67.5 | 177 | 0 | 0 | 111.1 | G269 I285 Y292 Y339 T341 K346 | G269-E287 CarbonylContact O-C 3.52Å; G269-E287 VanDerWaalsContact O-C 3.26Å; G269-E287 WeakPolarHBondContact O-CA 3.3Å; G269-E287 VanDerWaalsContact O-CB 3.24Å; G269-E287 WeakPolarHBondContact O-CB 3.37Å; G269-E287 PolarHBondContact O-N 3.25Å; I285-E287 HydrophobicContact CG2-CG 4.02Å; E287-Y292 HydrophobicContact CB-CE2 4.31Å; E287-Y292 VanDerWaalsContact O-CE2 3.27Å; E287-Y292 WeakPolarHBondContact O-CE2 3.13Å; E287-Y292 WeakPolarHBondContact OE2-CE2 3.41Å; E287-Y292 PolarHBondContact OE2-OH 2.83Å; E287-Y339 HydrophobicContact CG-CE2 3.85Å; E287-Y339 PolarHBondContact OE1-OH 3.09Å; E287-T341 HydrophobicContact CG-CG2 4.28Å; E287-K346 WeakPolarHBondContact OE1-CD 3.16Å; E287-K346 IonicContact OE1-NZ 3.88Å; E287-K346 PolarHBondContact OE1-NZ 2.79Å; E287-K346 IonicContact OE2-NZ 3.32Å; E287-K346 PolarHBondContact OE2-NZ 3.2Å | ||
| 288 | G | 93.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | trans | -68.6 | 151.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G269 D286 K290 N291 Y292 | G269-G288 PolarHBondContact O-N 3.42Å; D286-G288 WeakPolarHBondContact OD1-CA 3.12Å; D286-G288 PolarHBondContact OD1-N 2.97Å; G288-K290 PolarHBondContact O-N 2.92Å; G288-K290 VanDerWaalsContact O-N 3.13Å; G288-N291 WeakPolarHBondContact O-CB 3.34Å; G288-N291 PolarHBondContact O-N 3.45Å; G288-Y292 WeakPolarHBondContact O-CD2 3.49Å; G288-Y292 PolarHBondContact O-N 3.12Å | ||
| 289 | L | 93.3 | Very high | 92.7 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.9 | -36.8 | -177.1 | -178.1 | 61.9 | 0 | 0 | 0 | 113.3 | N291 Y292 V293 V310 E313 K314 M342 | L289-N291 VanDerWaalsContact C-N 3.34Å; L289-N291 PolarHBondContact O-N 3.16Å; L289-Y292 WeakPolarHBondContact O-CB 3.28Å; L289-Y292 PolarHBondContact O-N 3.28Å; L289-V293 HydrophobicContact CD1-CG2 4.45Å; L289-V293 HydrophobicContact CG-CG2 4.49Å; L289-V293 WeakPolarHBondContact O-CG2 3.46Å; L289-V293 PolarHBondContact O-N 2.85Å; L289-V310 HydrophobicContact CD1-CB 4.43Å; L289-V310 HydrophobicContact CD1-CG1 4.18Å; L289-V310 HydrophobicContact CD1-CG2 4.11Å; L289-E313 HydrophobicContact CD1-CB 4.31Å; L289-E313 HydrophobicContact CD1-CG 4.35Å; L289-K314 HydrophobicContact CD2-CD 4.27Å; L289-K314 HydrophobicContact CD2-CG 3.52Å; L289-M342 HydrophobicContact CD1-SD 3.56Å; L289-M342 VanDerWaalsContact CD1-SD 3.56Å |
| 290 | K | 92.8 | Very high | 92.2 | Very high | 154 Ų | 154 | 56.5 Ų | 56.5 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.3 | -47.1 | 178.3 | -178.6 | -179 | 170.7 | -174.8 | 0 | 111.3 | G288 Y292 V293 E294 | G288-K290 PolarHBondContact O-N 2.92Å; G288-K290 VanDerWaalsContact O-N 3.13Å; K290-Y292 VanDerWaalsContact C-N 3.29Å; K290-Y292 PolarHBondContact O-N 3.24Å; K290-V293 PolarHBondContact O-N 2.94Å; K290-E294 WeakPolarHBondContact CE-OE1 3.49Å; K290-E294 IonicContact NZ-OE1 2.59Å; K290-E294 WeakPolarHBondContact O-CG 3.35Å; K290-E294 PolarHBondContact O-N 3.06Å |
| 291 | N | 93 | Very high | 91.7 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 179.1 | -176.4 | 34.1 | 0 | 0 | 0 | 111.2 | L17 D286 G288 L289 V293 E294 S295 | L17-N291 VanDerWaalsContact CD1-OD1 3.25Å; L17-N291 WeakPolarHBondContact CD1-OD1 3.44Å; D286-N291 PolarHBondContact O-ND2 3.4Å; G288-N291 WeakPolarHBondContact O-CB 3.34Å; G288-N291 PolarHBondContact O-N 3.45Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-N291 PolarHBondContact O-N 3.16Å; N291-V293 PolarHBondContact O-N 2.84Å; N291-E294 PolarHBondContact O-N 2.73Å; N291-S295 WeakPolarHBondContact O-CB 3.34Å; N291-S295 PolarHBondContact O-N 3.08Å; N291-S295 PolarHBondContact O-OG 2.94Å |
| 292 | Y | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.3 | -80.3 | -66.1 | 0 | 0 | 0 | 114 | E287 G288 L289 K290 S295 K296 Y299 F306 T341 M342 I343 K346 | E287-Y292 HydrophobicContact CB-CE2 4.31Å; E287-Y292 VanDerWaalsContact O-CE2 3.27Å; E287-Y292 WeakPolarHBondContact O-CE2 3.13Å; E287-Y292 WeakPolarHBondContact OE2-CE2 3.41Å; E287-Y292 PolarHBondContact OE2-OH 2.83Å; G288-Y292 WeakPolarHBondContact O-CD2 3.49Å; G288-Y292 PolarHBondContact O-N 3.12Å; L289-Y292 WeakPolarHBondContact O-CB 3.28Å; L289-Y292 PolarHBondContact O-N 3.28Å; K290-Y292 VanDerWaalsContact C-N 3.29Å; K290-Y292 PolarHBondContact O-N 3.24Å; Y292-S295 CarbonylContact O-C 3.59Å; Y292-S295 PolarHBondContact O-N 2.83Å; Y292-K296 WeakPolarHBondContact O-CA 3.29Å; Y292-K296 PolarHBondContact O-N 2.88Å; Y292-Y299 HydrophobicContact CD1-CD2 4.36Å; Y292-Y299 AromaticContact CD1-CE2 3.53Å; Y292-Y299 HydrophobicContact CD1-CE2 3.53Å; Y292-Y299 AromaticContact CD1-CZ 3.63Å; Y292-Y299 HydrophobicContact CE1-CE1 4.11Å; Y292-Y299 AromaticContact CE1-CE2 3.89Å; Y292-Y299 HydrophobicContact CE1-CE2 3.89Å; Y292-Y299 AromaticContact CE1-CZ 3.48Å; Y292-Y299 VanDerWaalsContact CE1-CZ 3.48Å; Y292-Y299 WeakPolarHBondContact CE1-OH 3.43Å; Y292-F306 WeakPolarHBondContact O-CZ 3.18Å; Y292-T341 WeakPolarHBondContact OH-CB 3.49Å; Y292-T341 WeakPolarHBondContact OH-CG2 3.36Å; Y292-T341 PolarHBondContact OH-OG1 2.88Å; Y292-M342 HydrophobicContact CD1-CE 3.93Å; Y292-M342 HydrophobicContact CD2-CB 4.29Å; Y292-M342 HydrophobicContact CD2-CE 4.21Å; Y292-M342 HydrophobicContact CE2-CB 4.16Å; Y292-M342 HydrophobicContact CG-CE 3.63Å; Y292-I343 HydrophobicContact CD1-CD1 4.04Å; Y292-I343 HydrophobicContact CD1-CG1 3.64Å; Y292-I343 HydrophobicContact CE1-CB 4.31Å; Y292-I343 HydrophobicContact CE1-CD1 4.14Å; Y292-I343 HydrophobicContact CE1-CG1 3.23Å; Y292-K346 WeakPolarHBondContact OH-CE 3.18Å; Y292-K346 PolarHBondContact OH-NZ 2.78Å; Y292-K346 VanDerWaalsContact OH-NZ 3.12Å |
| 293 | V | 92.2 | Very high | 90.9 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L289 K290 N291 S295 | L289-V293 HydrophobicContact CD1-CG2 4.45Å; L289-V293 HydrophobicContact CG-CG2 4.49Å; L289-V293 WeakPolarHBondContact O-CG2 3.46Å; L289-V293 PolarHBondContact O-N 2.85Å; K290-V293 PolarHBondContact O-N 2.94Å; N291-V293 PolarHBondContact O-N 2.84Å; V293-S295 VanDerWaalsContact C-N 3.35Å |
| 294 | E | 91.1 | Very high | 90.6 | Very high | 138 Ų | 138 | 61.2 Ų | 61.2 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.2 | -30.5 | 178.1 | -70.2 | 174 | 177.6 | 0 | 0 | 112.8 | K290 N291 | K290-E294 WeakPolarHBondContact CE-OE1 3.49Å; K290-E294 IonicContact NZ-OE1 2.59Å; K290-E294 WeakPolarHBondContact O-CG 3.35Å; K290-E294 PolarHBondContact O-N 3.06Å; N291-E294 PolarHBondContact O-N 2.73Å |
| 295 | S | 88 | Confident | 90.3 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 19.5 | -178.1 | 64 | 0 | 0 | 0 | 0 | 114.2 | N291 Y292 V293 E297 R298 Y299 | N291-S295 WeakPolarHBondContact O-CB 3.34Å; N291-S295 PolarHBondContact O-N 3.08Å; N291-S295 PolarHBondContact O-OG 2.94Å; Y292-S295 CarbonylContact O-C 3.59Å; Y292-S295 PolarHBondContact O-N 2.83Å; V293-S295 VanDerWaalsContact C-N 3.35Å; S295-E297 PolarHBondContact O-N 2.8Å; S295-E297 VanDerWaalsContact O-N 3.1Å; S295-R298 WeakPolarHBondContact O-CB 3.46Å; S295-R298 PolarHBondContact O-N 2.85Å; S295-Y299 WeakPolarHBondContact O-CD2 3.2Å |
| 296 | K | 86 | Confident | 90.2 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -49 | -42.6 | -174.9 | 177.8 | -175.9 | 172.9 | -170.3 | 0 | 113.6 | Y292 R298 Y299 N303 F306 | Y292-K296 WeakPolarHBondContact O-CA 3.29Å; Y292-K296 PolarHBondContact O-N 2.88Å; K296-R298 PolarHBondContact O-N 3.45Å; K296-Y299 PolarHBondContact O-N 2.9Å; K296-Y299 VanDerWaalsContact O-N 3.13Å; K296-N303 WeakPolarHBondContact CE-OD1 3.42Å; K296-N303 PolarHBondContact NZ-OD1 2.82Å; K296-F306 HydrophobicContact CB-CE1 4.27Å; K296-F306 HydrophobicContact CB-CE2 4.16Å; K296-F306 HydrophobicContact CB-CZ 3.91Å; K296-F306 HydrophobicContact CD-CD1 3.78Å; K296-F306 HydrophobicContact CD-CE1 3.85Å; K296-F306 HydrophobicContact CD-CG 4.15Å; K296-F306 HydrophobicContact CD-CZ 4.28Å; K296-F306 HydrophobicContact CG-CD1 4.01Å; K296-F306 HydrophobicContact CG-CD2 3.94Å; K296-F306 HydrophobicContact CG-CE1 3.92Å; K296-F306 HydrophobicContact CG-CE2 3.85Å; K296-F306 HydrophobicContact CG-CG 4.02Å; K296-F306 HydrophobicContact CG-CZ 3.84Å |
| 297 | E | 85.5 | Confident | 90.1 | Very high | 179 Ų | 179 | 65.2 Ų | 65.2 | 84% | 0.836 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -60.1 | -28.9 | -176.8 | -64.4 | -179.6 | 172.3 | 0 | 0 | 112.6 | S295 Y299 N300 | S295-E297 PolarHBondContact O-N 2.8Å; S295-E297 VanDerWaalsContact O-N 3.1Å; E297-Y299 PolarHBondContact O-N 2.81Å; E297-N300 PolarHBondContact O-N 3.26Å; E297-N300 PolarHBondContact O-OD1 2.9Å |
| 298 | R | 84.8 | Confident | 90 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -64 | -24.2 | 178.8 | -61.4 | -172.6 | -170.3 | -179.4 | 2.2 | 113.3 | C14 G15 S295 K296 | C14-R298 PolarHBondContact SG-O 3.08Å; C14-R298 VanDerWaalsContact SG-O 3.39Å; G15-R298 PolarHBondContact O-NH1 3.42Å; S295-R298 WeakPolarHBondContact O-CB 3.46Å; S295-R298 PolarHBondContact O-N 2.85Å; K296-R298 PolarHBondContact O-N 3.45Å |
| 299 | Y | 85.3 | Confident | 90.1 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -93.7 | -7 | -172.3 | -57.9 | -71.9 | 0 | 0 | 0 | 113.2 | Y292 S295 K296 E297 L301 I343 I358 K361 | Y292-Y299 HydrophobicContact CD1-CD2 4.36Å; Y292-Y299 AromaticContact CD1-CE2 3.53Å; Y292-Y299 HydrophobicContact CD1-CE2 3.53Å; Y292-Y299 AromaticContact CD1-CZ 3.63Å; Y292-Y299 HydrophobicContact CE1-CE1 4.11Å; Y292-Y299 AromaticContact CE1-CE2 3.89Å; Y292-Y299 HydrophobicContact CE1-CE2 3.89Å; Y292-Y299 AromaticContact CE1-CZ 3.48Å; Y292-Y299 VanDerWaalsContact CE1-CZ 3.48Å; Y292-Y299 WeakPolarHBondContact CE1-OH 3.43Å; S295-Y299 WeakPolarHBondContact O-CD2 3.2Å; K296-Y299 PolarHBondContact O-N 2.9Å; K296-Y299 VanDerWaalsContact O-N 3.13Å; E297-Y299 PolarHBondContact O-N 2.81Å; Y299-L301 PolarHBondContact O-N 3.17Å; Y299-I343 HydrophobicContact CD1-CB 4.48Å; Y299-I343 HydrophobicContact CD1-CD1 4.3Å; Y299-I343 HydrophobicContact CD1-CG1 3.95Å; Y299-I343 HydrophobicContact CD1-CG2 3.97Å; Y299-I343 HydrophobicContact CD2-CD1 4.15Å; Y299-I343 HydrophobicContact CD2-CG1 4.4Å; Y299-I343 HydrophobicContact CE1-CG1 4Å; Y299-I343 HydrophobicContact CE2-CG1 4.47Å; Y299-I343 HydrophobicContact CG-CD1 3.99Å; Y299-I343 HydrophobicContact CG-CG1 4.14Å; Y299-I358 HydrophobicContact CD1-CD1 4.46Å; Y299-I358 HydrophobicContact CE1-CD1 4.47Å; Y299-K361 WeakPolarHBondContact O-CE 3.28Å; Y299-K361 PolarHBondContact O-NZ 2.86Å |
| 300 | N | 85.8 | Confident | 90.2 | Very high | 108 Ų | 108 | 70.2 Ų | 70.2 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | trans | 48 | 38 | 178.7 | -69.8 | -29.1 | 0 | 0 | 0 | 113.4 | E12 E297 | E12-N300 PolarHBondContact OE1-ND2 2.8Å; E12-N300 PolarHBondContact OE2-ND2 3.32Å; E297-N300 PolarHBondContact O-N 3.26Å; E297-N300 PolarHBondContact O-OD1 2.9Å | ||
| 301 | L | 86.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | trans | -97.1 | 142.9 | 178.5 | -76.2 | 170.2 | 0 | 0 | 0 | 110.9 | Y299 F306 K309 I343 K361 | Y299-L301 PolarHBondContact O-N 3.17Å; L301-F306 HydrophobicContact CB-CB 4.38Å; L301-F306 HydrophobicContact CD1-CD2 4.3Å; L301-K309 HydrophobicContact CD1-CD 4.12Å; L301-I343 HydrophobicContact CD1-CD1 3.69Å; L301-I343 HydrophobicContact CD1-CG2 4.33Å; L301-K361 HydrophobicContact CD2-CG 4.31Å | ||
| 302 | G | 88 | Confident | 90.5 | Very high | 41 Ų | 41 | 67 Ų | 67 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | trans | -58.8 | 145 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L304 D305 F306 | G302-L304 VanDerWaalsContact C-N 3.27Å; G302-L304 PolarHBondContact O-N 3.04Å; G302-D305 PolarHBondContact O-N 2.8Å; G302-F306 PolarHBondContact O-N 3.07Å | ||
| 303 | N | 88.7 | Confident | 90.6 | Very high | 113 Ų | 113 | 67.2 Ų | 67.2 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -54.4 | -42.8 | -176.6 | -74.7 | -22.7 | 0 | 0 | 0 | 112.8 | K296 S307 | K296-N303 WeakPolarHBondContact CE-OD1 3.42Å; K296-N303 PolarHBondContact NZ-OD1 2.82Å; N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.01Å; N303-S307 PolarHBondContact O-OG 3.15Å; N303-S307 VanDerWaalsContact O-OG 3.09Å |
| 304 | L | 90 | Very high | 90.8 | Very high | 130 Ų | 130 | 69 Ų | 69 | 68% | 0.681 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.6 | -46.1 | -179.7 | -70 | 171.3 | 0 | 0 | 0 | 112 | G302 S307 R308 | G302-L304 VanDerWaalsContact C-N 3.27Å; G302-L304 PolarHBondContact O-N 3.04Å; L304-S307 PolarHBondContact O-N 2.81Å; L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 2.95Å |
| 305 | D | 91.1 | Very high | 91 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | -179.2 | -61.7 | -37.1 | 0 | 0 | 0 | 111.5 | G302 R308 K309 | G302-D305 PolarHBondContact O-N 2.8Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.27Å; D305-K309 WeakPolarHBondContact O-CG 3.3Å; D305-K309 PolarHBondContact O-N 3.32Å |
| 306 | F | 93.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 173.2 | -172.2 | -92.2 | 0 | 0 | 0 | 111.5 | Y292 K296 L301 G302 R308 K309 V310 M342 I343 | Y292-F306 WeakPolarHBondContact O-CZ 3.18Å; K296-F306 HydrophobicContact CB-CE1 4.27Å; K296-F306 HydrophobicContact CB-CE2 4.16Å; K296-F306 HydrophobicContact CB-CZ 3.91Å; K296-F306 HydrophobicContact CD-CD1 3.78Å; K296-F306 HydrophobicContact CD-CE1 3.85Å; K296-F306 HydrophobicContact CD-CG 4.15Å; K296-F306 HydrophobicContact CD-CZ 4.28Å; K296-F306 HydrophobicContact CG-CD1 4.01Å; K296-F306 HydrophobicContact CG-CD2 3.94Å; K296-F306 HydrophobicContact CG-CE1 3.92Å; K296-F306 HydrophobicContact CG-CE2 3.85Å; K296-F306 HydrophobicContact CG-CG 4.02Å; K296-F306 HydrophobicContact CG-CZ 3.84Å; L301-F306 HydrophobicContact CB-CB 4.38Å; L301-F306 HydrophobicContact CD1-CD2 4.3Å; G302-F306 PolarHBondContact O-N 3.07Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.24Å; F306-K309 PolarHBondContact O-N 3.46Å; F306-V310 HydrophobicContact CD1-CG2 3.86Å; F306-V310 HydrophobicContact CE1-CG2 3.5Å; F306-V310 HydrophobicContact CZ-CG2 3.99Å; F306-V310 WeakPolarHBondContact O-CG2 3.46Å; F306-V310 PolarHBondContact O-N 3.12Å; F306-M342 HydrophobicContact CD2-CE 4.41Å; F306-M342 HydrophobicContact CE2-CE 3.72Å; F306-M342 HydrophobicContact CZ-CE 3.96Å; F306-I343 HydrophobicContact CD2-CD1 4.43Å; F306-I343 HydrophobicContact CE2-CD1 4.23Å |
| 307 | S | 93.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.9 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | N303 L304 V310 A311 | N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.01Å; N303-S307 PolarHBondContact O-OG 3.15Å; N303-S307 VanDerWaalsContact O-OG 3.09Å; L304-S307 PolarHBondContact O-N 2.81Å; S307-V310 PolarHBondContact O-N 3.25Å; S307-A311 PolarHBondContact O-N 2.88Å |
| 308 | R | 93.9 | Very high | 91.9 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.2 | -74.3 | 171 | 179.2 | 163.8 | -4.8 | 111.6 | L304 D305 F306 V310 A311 I312 | L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 2.95Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.27Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.24Å; R308-V310 VanDerWaalsContact C-N 3.33Å; R308-V310 PolarHBondContact O-N 3.21Å; R308-A311 WeakPolarHBondContact O-CB 3.48Å; R308-A311 PolarHBondContact O-N 3.09Å; R308-A311 VanDerWaalsContact O-N 3.15Å; R308-I312 WeakPolarHBondContact O-CG1 3.33Å; R308-I312 PolarHBondContact O-N 3.45Å |
| 309 | K | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 177.1 | -75.6 | 174 | 178 | -82 | 0 | 111.8 | L301 D305 F306 A311 I312 E313 M342 I343 K361 E363 | L301-K309 HydrophobicContact CD1-CD 4.12Å; D305-K309 WeakPolarHBondContact O-CG 3.3Å; D305-K309 PolarHBondContact O-N 3.32Å; F306-K309 PolarHBondContact O-N 3.46Å; K309-A311 PolarHBondContact O-N 3.48Å; K309-I312 PolarHBondContact O-N 3.47Å; K309-E313 WeakPolarHBondContact O-CB 3.5Å; K309-E313 PolarHBondContact O-N 3.15Å; K309-M342 HydrophobicContact CB-CG 3.96Å; K309-M342 HydrophobicContact CB-SD 4.47Å; K309-I343 PolarHBondContact NZ-O 3.44Å; K309-K361 WeakPolarHBondContact CE-O 3.34Å; K309-K361 PolarHBondContact NZ-O 3.28Å; K309-E363 WeakPolarHBondContact CE-O 3.46Å; K309-E363 PolarHBondContact NZ-O 2.99Å |
| 310 | V | 95.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 12% | 0.121 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.8 | 166.9 | 0 | 0 | 0 | 0 | 112.1 | L289 F306 S307 R308 E313 K314 M342 | L289-V310 HydrophobicContact CD1-CB 4.43Å; L289-V310 HydrophobicContact CD1-CG1 4.18Å; L289-V310 HydrophobicContact CD1-CG2 4.11Å; F306-V310 HydrophobicContact CD1-CG2 3.86Å; F306-V310 HydrophobicContact CE1-CG2 3.5Å; F306-V310 HydrophobicContact CZ-CG2 3.99Å; F306-V310 WeakPolarHBondContact O-CG2 3.46Å; F306-V310 PolarHBondContact O-N 3.12Å; S307-V310 PolarHBondContact O-N 3.25Å; R308-V310 VanDerWaalsContact C-N 3.33Å; R308-V310 PolarHBondContact O-N 3.21Å; V310-E313 PolarHBondContact O-N 3.35Å; V310-K314 HydrophobicContact CG1-CD 4.47Å; V310-K314 WeakPolarHBondContact O-CG 3.42Å; V310-K314 PolarHBondContact O-N 3.07Å; V310-K314 VanDerWaalsContact O-N 3.09Å; V310-M342 HydrophobicContact CB-SD 4.48Å; V310-M342 HydrophobicContact CG2-CE 4.13Å; V310-M342 HydrophobicContact CG2-SD 3.86Å |
| 311 | A | 95.7 | Very high | 92.1 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | S307 R308 K309 E313 K314 E315 | S307-A311 PolarHBondContact O-N 2.88Å; R308-A311 WeakPolarHBondContact O-CB 3.48Å; R308-A311 PolarHBondContact O-N 3.09Å; R308-A311 VanDerWaalsContact O-N 3.15Å; K309-A311 PolarHBondContact O-N 3.48Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 3.47Å; A311-K314 PolarHBondContact O-N 3.23Å; A311-E315 PolarHBondContact O-N 3Å; A311-E315 VanDerWaalsContact O-N 3.12Å |
| 312 | I | 95.5 | Very high | 92.3 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.7 | -64.4 | 167.1 | 0 | 0 | 0 | 111 | R308 K309 K314 E315 L316 R366 Y419 | R308-I312 WeakPolarHBondContact O-CG1 3.33Å; R308-I312 PolarHBondContact O-N 3.45Å; K309-I312 PolarHBondContact O-N 3.47Å; I312-K314 PolarHBondContact O-N 3.2Å; I312-E315 PolarHBondContact O-N 3.28Å; I312-L316 WeakPolarHBondContact O-CB 3.29Å; I312-L316 PolarHBondContact O-N 2.89Å; I312-R366 HydrophobicContact CG2-CB 3.68Å; I312-R366 HydrophobicContact CG2-CG 4.37Å; I312-Y419 HydrophobicContact CG2-CD1 3.98Å |
| 313 | E | 95.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.4 | -161.9 | 71.6 | 169.4 | 0 | 0 | 111.7 | L289 K309 V310 A311 E315 L316 Y317 M342 R366 | L289-E313 HydrophobicContact CD1-CB 4.31Å; L289-E313 HydrophobicContact CD1-CG 4.35Å; K309-E313 WeakPolarHBondContact O-CB 3.5Å; K309-E313 PolarHBondContact O-N 3.15Å; V310-E313 PolarHBondContact O-N 3.35Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 3.47Å; E313-E315 VanDerWaalsContact C-N 3.32Å; E313-E315 PolarHBondContact O-N 3.07Å; E313-L316 PolarHBondContact O-N 2.71Å; E313-Y317 HydrophobicContact CG-CD2 4.07Å; E313-Y317 HydrophobicContact CG-CE2 3.94Å; E313-Y317 VanDerWaalsContact O-CD2 3.29Å; E313-Y317 WeakPolarHBondContact O-CD2 3.4Å; E313-Y317 PolarHBondContact O-N 2.92Å; E313-Y317 VanDerWaalsContact OE1-CE2 3.28Å; E313-Y317 WeakPolarHBondContact OE1-CE2 3.44Å; E313-M342 HydrophobicContact CB-CB 4.43Å; E313-M342 HydrophobicContact CB-CG 3.93Å; E313-M342 HydrophobicContact CB-SD 3.98Å; E313-M342 HydrophobicContact CG-CB 4.1Å; E313-M342 HydrophobicContact CG-CG 4.15Å; E313-M342 HydrophobicContact CG-SD 4.27Å; E313-R366 IonicContact OE1-CZ 3.09Å; E313-R366 IonicContact OE1-NE 3.95Å; E313-R366 PolarHBondContact OE1-NE 2.68Å; E313-R366 IonicContact OE1-NH2 3.94Å; E313-R366 PolarHBondContact OE1-NH2 3.4Å; E313-R366 WeakPolarHBondContact OE2-CD 3.44Å; E313-R366 IonicContact OE2-CZ 3.45Å; E313-R366 IonicContact OE2-NE 2.7Å; E313-R366 PolarHBondContact OE2-NE 3.13Å; E313-R366 IonicContact OE2-NH2 3.86Å |
| 314 | K | 95.4 | Very high | 92.6 | Very high | 119 Ų | 119 | 62.5 Ų | 62.5 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.5 | -74 | 178.9 | 179.5 | -177.5 | 0 | 111.8 | L289 V310 A311 I312 Q318 | L289-K314 HydrophobicContact CD2-CD 4.27Å; L289-K314 HydrophobicContact CD2-CG 3.52Å; V310-K314 HydrophobicContact CG1-CD 4.47Å; V310-K314 WeakPolarHBondContact O-CG 3.42Å; V310-K314 PolarHBondContact O-N 3.07Å; V310-K314 VanDerWaalsContact O-N 3.09Å; A311-K314 PolarHBondContact O-N 3.23Å; I312-K314 PolarHBondContact O-N 3.2Å; K314-Q318 WeakPolarHBondContact O-CG 3.46Å; K314-Q318 PolarHBondContact O-N 2.91Å |
| 315 | E | 95.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 178.2 | -166.3 | -170.7 | 176.8 | 0 | 0 | 111.9 | A311 I312 E313 Y317 Q318 N319 Y419 K420 | A311-E315 PolarHBondContact O-N 3Å; A311-E315 VanDerWaalsContact O-N 3.12Å; I312-E315 PolarHBondContact O-N 3.28Å; E313-E315 VanDerWaalsContact C-N 3.32Å; E313-E315 PolarHBondContact O-N 3.07Å; E315-Y317 PolarHBondContact O-N 3.36Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 3.09Å; E315-N319 PolarHBondContact O-N 2.84Å; E315-Y419 HydrophobicContact CB-CE1 4.49Å; E315-Y419 HydrophobicContact CG-CE1 4.3Å; E315-K420 IonicContact OE1-NZ 2.77Å; E315-K420 PolarHBondContact OE1-NZ 2.94Å |
| 316 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 176.8 | 172 | 65.2 | 0 | 0 | 0 | 111.6 | I312 E313 Q318 N319 L323 R366 L368 Y419 | I312-L316 WeakPolarHBondContact O-CB 3.29Å; I312-L316 PolarHBondContact O-N 2.89Å; E313-L316 PolarHBondContact O-N 2.71Å; L316-Q318 PolarHBondContact O-N 3.25Å; L316-N319 CarbonylContact O-C 3.49Å; L316-N319 WeakPolarHBondContact O-CA 3.46Å; L316-N319 PolarHBondContact O-N 3.16Å; L316-L323 HydrophobicContact CD1-CB 4.32Å; L316-L323 HydrophobicContact CD1-CD1 4.36Å; L316-L323 HydrophobicContact CD2-CD1 4.11Å; L316-L323 HydrophobicContact CG-CD1 3.97Å; L316-R366 HydrophobicContact CD2-CG 3.78Å; L316-L368 HydrophobicContact CD1-CD1 4.25Å; L316-L368 HydrophobicContact CD1-CD2 3.89Å; L316-L368 HydrophobicContact CD2-CD2 3.66Å; L316-L368 HydrophobicContact CG-CD2 4.43Å; L316-Y419 HydrophobicContact CB-CE1 4.48Å; L316-Y419 HydrophobicContact CB-CE2 4.46Å; L316-Y419 HydrophobicContact CD1-CD2 3.5Å; L316-Y419 HydrophobicContact CD1-CE2 3.77Å; L316-Y419 HydrophobicContact CD1-CG 4.06Å |
| 317 | Y | 93.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.4 | -16.3 | -178.9 | -84.1 | -106.9 | 0 | 0 | 0 | 113.6 | N267 G269 E313 E315 L323 | N267-Y317 WeakPolarHBondContact O-CD1 3.48Å; N267-Y317 WeakPolarHBondContact O-CE1 3.34Å; G269-Y317 WeakPolarHBondContact CA-OH 3.34Å; E313-Y317 HydrophobicContact CG-CD2 4.07Å; E313-Y317 HydrophobicContact CG-CE2 3.94Å; E313-Y317 VanDerWaalsContact O-CD2 3.29Å; E313-Y317 WeakPolarHBondContact O-CD2 3.4Å; E313-Y317 PolarHBondContact O-N 2.92Å; E313-Y317 VanDerWaalsContact OE1-CE2 3.28Å; E313-Y317 WeakPolarHBondContact OE1-CE2 3.44Å; E315-Y317 PolarHBondContact O-N 3.36Å; Y317-L323 HydrophobicContact CD1-CD2 4.02Å; Y317-L323 HydrophobicContact CD2-CD1 4.3Å; Y317-L323 HydrophobicContact CE1-CD2 4.3Å; Y317-L323 HydrophobicContact CE2-CD1 4.12Å; Y317-L323 HydrophobicContact CG-CD2 4.33Å |
| 318 | Q | 91.7 | Very high | 93.5 | Very high | 161 Ų | 161 | 53.4 Ų | 53.4 | 75% | 0.752 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -79.8 | -21.4 | 168 | -70.5 | 171.6 | -3.5 | 0 | 0 | 112.2 | K314 E315 L316 | K314-Q318 WeakPolarHBondContact O-CG 3.46Å; K314-Q318 PolarHBondContact O-N 2.91Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 3.09Å; L316-Q318 PolarHBondContact O-N 3.25Å |
| 319 | N | 89.6 | Confident | 93.7 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | trans | -106 | 79.7 | -179.5 | -171.4 | -24.2 | 0 | 0 | 0 | 111.2 | E315 L316 N321 S322 L323 | E315-N319 PolarHBondContact O-N 2.84Å; L316-N319 CarbonylContact O-C 3.49Å; L316-N319 WeakPolarHBondContact O-CA 3.46Å; L316-N319 PolarHBondContact O-N 3.16Å; N319-N321 PolarHBondContact O-N 3.32Å; N319-N321 VanDerWaalsContact O-N 3.13Å; N319-N321 PolarHBondContact OD1-N 3.26Å; N319-S322 PolarHBondContact ND2-OG 2.91Å; N319-S322 PolarHBondContact O-N 3.43Å; N319-S322 PolarHBondContact OD1-N 3.45Å; N319-S322 PolarHBondContact OD1-OG 3.36Å; N319-L323 PolarHBondContact O-N 3.06Å | ||
| 320 | T | 84 | Confident | 93.8 | Very high | 83 Ų | 83 | 49 Ų | 49 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.3 | -34 | 179.7 | -44.8 | 0 | 0 | 0 | 0 | 112.9 | S322 L323 Q324 | T320-S322 PolarHBondContact O-N 3.26Å; T320-L323 PolarHBondContact O-N 2.71Å; T320-Q324 PolarHBondContact O-N 3.16Å; T320-Q324 VanDerWaalsContact O-N 3.12Å |
| 321 | N | 85.8 | Confident | 93.8 | Very high | 115 Ų | 115 | 48.3 Ų | 48.3 | 62% | 0.615 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64 | -27.4 | 179.2 | -68.3 | -19.8 | 0 | 0 | 0 | 113.3 | N319 Q324 F325 | N319-N321 PolarHBondContact O-N 3.32Å; N319-N321 VanDerWaalsContact O-N 3.13Å; N319-N321 PolarHBondContact OD1-N 3.26Å; N321-Q324 WeakPolarHBondContact O-CG 3.22Å; N321-Q324 PolarHBondContact O-NE2 3.28Å; N321-F325 WeakPolarHBondContact O-CE2 3.37Å |
| 322 | S | 90.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -91.1 | -35.9 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | N319 T320 Q324 F325 | N319-S322 PolarHBondContact ND2-OG 2.91Å; N319-S322 PolarHBondContact O-N 3.43Å; N319-S322 PolarHBondContact OD1-N 3.45Å; N319-S322 PolarHBondContact OD1-OG 3.36Å; T320-S322 PolarHBondContact O-N 3.26Å; S322-Q324 VanDerWaalsContact C-N 3.26Å; S322-Q324 PolarHBondContact O-N 3.36Å; S322-F325 WeakPolarHBondContact O-CD2 3.48Å; S322-F325 PolarHBondContact O-N 3.44Å; S322-F325 VanDerWaalsContact O-N 3.16Å |
| 323 | L | 92.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -34 | -178.1 | -175.3 | 64.6 | 0 | 0 | 0 | 112.5 | L251 N267 L316 Y317 N319 T320 F325 T326 | L251-L323 HydrophobicContact CD1-CD1 4.1Å; L251-L323 HydrophobicContact CD1-CD2 3.77Å; L251-L323 HydrophobicContact CD1-CG 3.6Å; L251-L323 HydrophobicContact CD2-CD2 4.38Å; L251-L323 HydrophobicContact CD2-CG 4.24Å; N267-L323 HydrophobicContact CB-CD2 4.18Å; L316-L323 HydrophobicContact CD1-CB 4.32Å; L316-L323 HydrophobicContact CD1-CD1 4.36Å; L316-L323 HydrophobicContact CD2-CD1 4.11Å; L316-L323 HydrophobicContact CG-CD1 3.97Å; Y317-L323 HydrophobicContact CD1-CD2 4.02Å; Y317-L323 HydrophobicContact CD2-CD1 4.3Å; Y317-L323 HydrophobicContact CE1-CD2 4.3Å; Y317-L323 HydrophobicContact CE2-CD1 4.12Å; Y317-L323 HydrophobicContact CG-CD2 4.33Å; N319-L323 PolarHBondContact O-N 3.06Å; T320-L323 PolarHBondContact O-N 2.71Å; L323-F325 PolarHBondContact O-N 2.84Å; L323-F325 VanDerWaalsContact O-N 3.16Å; L323-T326 WeakPolarHBondContact O-CB 3.32Å; L323-T326 PolarHBondContact O-N 2.8Å; L323-T326 VanDerWaalsContact O-N 3.08Å; L323-T326 PolarHBondContact O-OG1 3.24Å |
| 324 | Q | 92.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.3 | 176.7 | 70.4 | -175.8 | -29.2 | 0 | 0 | 114.5 | T320 N321 S322 T326 | T320-Q324 PolarHBondContact O-N 3.16Å; T320-Q324 VanDerWaalsContact O-N 3.12Å; N321-Q324 WeakPolarHBondContact O-CG 3.22Å; N321-Q324 PolarHBondContact O-NE2 3.28Å; S322-Q324 VanDerWaalsContact C-N 3.26Å; S322-Q324 PolarHBondContact O-N 3.36Å; Q324-T326 PolarHBondContact O-N 3.09Å |
| 325 | F | 94.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.4 | 177.2 | -59.7 | -50.5 | 0 | 0 | 0 | 113.1 | H60 N321 S322 L323 K327 L368 C369 | H60-F325 AromaticContact CE1-CD1 3.85Å; H60-F325 AromaticContact CE1-CE1 3.52Å; N321-F325 WeakPolarHBondContact O-CE2 3.37Å; S322-F325 WeakPolarHBondContact O-CD2 3.48Å; S322-F325 PolarHBondContact O-N 3.44Å; S322-F325 VanDerWaalsContact O-N 3.16Å; L323-F325 PolarHBondContact O-N 2.84Å; L323-F325 VanDerWaalsContact O-N 3.16Å; F325-K327 PolarHBondContact O-N 3.41Å; F325-L368 CarbonylContact O-C 3.5Å; F325-C369 VanDerWaalsContact O-CA 3.23Å; F325-C369 WeakPolarHBondContact O-CA 3.41Å; F325-C369 VanDerWaalsContact O-CB 3.22Å; F325-C369 WeakPolarHBondContact O-CB 3.42Å; F325-C369 PolarHBondContact O-N 3.25Å |
| 326 | T | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | trans | -63 | 121.1 | 176.8 | -55 | 0 | 0 | 0 | 0 | 110.3 | C252 F265 L323 Q324 P340 L368 | C252-T326 WeakPolarHBondContact CB-O 2.84Å; F265-T326 HydrophobicContact CD1-CG2 3.87Å; F265-T326 HydrophobicContact CE1-CG2 3.71Å; L323-T326 WeakPolarHBondContact O-CB 3.32Å; L323-T326 PolarHBondContact O-N 2.8Å; L323-T326 VanDerWaalsContact O-N 3.08Å; L323-T326 PolarHBondContact O-OG1 3.24Å; Q324-T326 PolarHBondContact O-N 3.09Å; T326-P340 HydrophobicContact CG2-CG 4.14Å; T326-L368 WeakPolarHBondContact CA-O 3.09Å | ||
| 327 | K | 97.2 | Very high | 93.8 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | trans | -116.6 | 141.2 | 175.6 | -77.5 | -69.1 | -165 | 170.6 | 0 | 111.1 | E196 F325 P340 L368 I370 | E196-K327 IonicContact OE1-NZ 2.99Å; F325-K327 PolarHBondContact O-N 3.41Å; K327-P340 WeakPolarHBondContact O-CD 3.33Å; K327-L368 PolarHBondContact N-O 2.91Å; K327-I370 WeakPolarHBondContact O-CG1 3.49Å | ||
| 328 | V | 97.9 | Very high | 94 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | trans | -113.4 | 136.4 | 173.6 | 174 | 0 | 0 | 0 | 0 | 107 | C252 T254 F265 L271 L337 | C252-V328 HydrophobicContact CB-CG2 4.43Å; C252-V328 PolarHBondContact SG-N 2.99Å; T254-V328 WeakPolarHBondContact CG2-O 3.41Å; T254-V328 PolarHBondContact OG1-O 2.85Å; F265-V328 HydrophobicContact CB-CG2 3.97Å; F265-V328 HydrophobicContact CG-CG2 4.35Å; L271-V328 HydrophobicContact CD2-CG1 4.37Å; L271-V328 HydrophobicContact CD2-CG2 3.99Å; V328-L337 HydrophobicContact CG1-CD1 3.55Å; V328-L337 HydrophobicContact CG1-CD2 3.89Å; V328-L337 HydrophobicContact CG1-CG 3.74Å | ||
| 329 | V | 97.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.2 | -178 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | I338 I370 L372 | V329-I338 HydrophobicContact CG2-CB 3.96Å; V329-I338 PolarHBondContact N-O 3Å; V329-I338 PolarHBondContact O-N 2.81Å; V329-I370 HydrophobicContact CG1-CG1 4.46Å; V329-I370 HydrophobicContact CG2-CD1 3.86Å; V329-I370 HydrophobicContact CG2-CG1 4.19Å; V329-L372 HydrophobicContact CG2-CB 4.49Å |
| 330 | Y | 97.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 156.6 | 164.3 | -80.4 | -87.3 | 0 | 0 | 0 | 109.8 | T254 R256 E261 V263 F336 L337 V350 | T254-Y330 HydrophobicContact CG2-CD2 3.69Å; T254-Y330 HydrophobicContact CG2-CE2 4.17Å; R256-Y330 HydrophobicContact CB-CD2 4.21Å; R256-Y330 HydrophobicContact CB-CE1 4.16Å; R256-Y330 HydrophobicContact CB-CE2 3.85Å; R256-Y330 HydrophobicContact CG-CD1 3.99Å; R256-Y330 HydrophobicContact CG-CD2 4.47Å; R256-Y330 HydrophobicContact CG-CE1 3.74Å; R256-Y330 HydrophobicContact CG-CE2 4.3Å; R256-Y330 HydrophobicContact CG-CG 4.33Å; E261-Y330 PolarHBondContact OE1-OH 3.27Å; V263-Y330 HydrophobicContact CG2-CE2 4Å; V263-Y330 WeakPolarHBondContact CG2-OH 3.4Å; Y330-F336 WeakPolarHBondContact CA-O 3.23Å; Y330-F336 WeakPolarHBondContact CD1-O 3.38Å; Y330-L337 HydrophobicContact CD1-CB 4.47Å; Y330-L337 HydrophobicContact CD1-CD1 3.91Å; Y330-L337 HydrophobicContact CD2-CD1 3.64Å; Y330-L337 HydrophobicContact CE1-CB 4.33Å; Y330-L337 HydrophobicContact CE1-CD1 3.82Å; Y330-L337 HydrophobicContact CE2-CD1 3.5Å; Y330-L337 HydrophobicContact CG-CD1 3.84Å; Y330-V350 HydrophobicContact CD1-CG2 4.29Å; Y330-V350 HydrophobicContact CE1-CG2 3.65Å |
| 331 | D | 95.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | trans | -70 | 165.4 | 159 | 80 | -62.9 | 0 | 0 | 0 | 111 | I42 P257 T333 G334 N335 F336 L372 | I42-D331 HydrophobicContact CD1-CB 4.24Å; P257-D331 WeakPolarHBondContact CG-O 3.27Å; D331-T333 PolarHBondContact O-N 2.82Å; D331-T333 VanDerWaalsContact O-N 3.09Å; D331-T333 VanDerWaalsContact OD2-CB 3.29Å; D331-T333 WeakPolarHBondContact OD2-CB 3.43Å; D331-T333 PolarHBondContact OD2-N 2.87Å; D331-T333 PolarHBondContact OD2-OG1 2.91Å; D331-G334 PolarHBondContact O-N 3.34Å; D331-G334 PolarHBondContact OD1-N 2.8Å; D331-N335 PolarHBondContact OD1-N 3.32Å; D331-F336 HydrophobicContact CB-CB 4.39Å; D331-F336 PolarHBondContact N-O 3.05Å; D331-F336 WeakPolarHBondContact OD1-CA 3.38Å; D331-F336 PolarHBondContact OD1-N 2.86Å; D331-F336 VanDerWaalsContact OD1-O 3.08Å; D331-L372 HydrophobicContact CB-CD2 3.98Å | ||
| 332 | D | 91.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 22.2 Ų | 22.2 | 50% | 0.503 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.2 | -177.4 | -79.6 | -24.1 | 0 | 0 | 0 | 113.4 | ||
| 333 | T | 93.2 | Very high | 96 | Very high | 68 Ų | 68 | 21.1 Ų | 21.1 | 42% | 0.417 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.3 | 178.7 | 77.3 | 0 | 0 | 0 | 0 | 113.2 | Y38 D331 N335 | Y38-T333 HydrophobicContact CD1-CG2 3.73Å; Y38-T333 HydrophobicContact CE1-CG2 3.92Å; D331-T333 PolarHBondContact O-N 2.82Å; D331-T333 VanDerWaalsContact O-N 3.09Å; D331-T333 VanDerWaalsContact OD2-CB 3.29Å; D331-T333 WeakPolarHBondContact OD2-CB 3.43Å; D331-T333 PolarHBondContact OD2-N 2.87Å; D331-T333 PolarHBondContact OD2-OG1 2.91Å; T333-N335 PolarHBondContact O-N 2.92Å; T333-N335 WeakPolarHBondContact OG1-CB 3.23Å; T333-N335 PolarHBondContact OG1-N 2.89Å; T333-N335 PolarHBondContact OG1-ND2 3.45Å |
| 334 | G | 95.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 75 | 6.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | R256 D331 | R256-G334 WeakPolarHBondContact CD-O 3.22Å; D331-G334 PolarHBondContact O-N 3.34Å; D331-G334 PolarHBondContact OD1-N 2.8Å |
| 335 | N | 96.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 16.6 Ų | 16.6 | 19% | 0.187 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -78.4 | -25.1 | 179.3 | -73.4 | -45.6 | 0 | 0 | 0 | 112.7 | L32 D331 T333 V350 | L32-N335 HydrophobicContact CD1-CB 4.46Å; L32-N335 WeakPolarHBondContact CD1-OD1 3.07Å; L32-N335 HydrophobicContact CD2-CB 3.69Å; D331-N335 PolarHBondContact OD1-N 3.32Å; T333-N335 PolarHBondContact O-N 2.92Å; T333-N335 WeakPolarHBondContact OG1-CB 3.23Å; T333-N335 PolarHBondContact OG1-N 2.89Å; T333-N335 PolarHBondContact OG1-ND2 3.45Å; N335-V350 WeakPolarHBondContact O-CB 3.5Å; N335-V350 WeakPolarHBondContact O-CG2 3.42Å; N335-V350 PolarHBondContact O-N 3.46Å |
| 336 | F | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.7 | -178.5 | -56.7 | -78.3 | 0 | 0 | 0 | 111.7 | L32 E35 L39 I42 Y330 D331 V347 L348 N349 V356 | L32-F336 HydrophobicContact CD2-CE1 4.49Å; L32-F336 HydrophobicContact CD2-CE2 4.26Å; L32-F336 HydrophobicContact CD2-CZ 3.87Å; E35-F336 HydrophobicContact CG-CE1 4.35Å; E35-F336 HydrophobicContact CG-CZ 3.95Å; L39-F336 HydrophobicContact CD1-CZ 4.5Å; L39-F336 HydrophobicContact CD2-CD1 4.35Å; L39-F336 HydrophobicContact CD2-CE1 3.83Å; L39-F336 HydrophobicContact CD2-CE2 4.24Å; L39-F336 HydrophobicContact CD2-CZ 3.77Å; L39-F336 HydrophobicContact CG-CE1 4.12Å; L39-F336 HydrophobicContact CG-CE2 4.25Å; L39-F336 HydrophobicContact CG-CZ 3.66Å; I42-F336 HydrophobicContact CD1-CB 3.7Å; I42-F336 HydrophobicContact CD1-CD2 3.67Å; I42-F336 HydrophobicContact CD1-CE2 4.46Å; I42-F336 HydrophobicContact CD1-CG 3.74Å; Y330-F336 WeakPolarHBondContact CA-O 3.23Å; Y330-F336 WeakPolarHBondContact CD1-O 3.38Å; D331-F336 HydrophobicContact CB-CB 4.39Å; D331-F336 PolarHBondContact N-O 3.05Å; D331-F336 WeakPolarHBondContact OD1-CA 3.38Å; D331-F336 PolarHBondContact OD1-N 2.86Å; D331-F336 VanDerWaalsContact OD1-O 3.08Å; F336-V347 HydrophobicContact CB-CG1 4Å; F336-V347 HydrophobicContact CD1-CG1 4.03Å; F336-V347 HydrophobicContact CG-CG1 4.2Å; F336-L348 CarbonylContact C-O 3.58Å; F336-L348 WeakPolarHBondContact CA-O 3.48Å; F336-N349 HydrophobicContact CD1-CB 4.05Å; F336-N349 HydrophobicContact CE1-CB 3.85Å; F336-V356 HydrophobicContact CD1-CG2 3.99Å; F336-V356 HydrophobicContact CE1-CG2 3.91Å |
| 337 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.9 | 168.4 | -167.9 | 75.1 | 0 | 0 | 0 | 108.5 | V263 L271 F273 V328 Y330 Y339 L348 V350 | V263-L337 HydrophobicContact CG1-CD2 4.25Å; V263-L337 HydrophobicContact CG2-CD1 4.44Å; V263-L337 HydrophobicContact CG2-CD2 4.35Å; L271-L337 HydrophobicContact CD1-CD2 4.29Å; L271-L337 HydrophobicContact CD2-CD2 4.49Å; F273-L337 HydrophobicContact CE1-CD2 3.94Å; F273-L337 HydrophobicContact CE2-CD2 4.48Å; F273-L337 HydrophobicContact CZ-CD2 3.51Å; V328-L337 HydrophobicContact CG1-CD1 3.55Å; V328-L337 HydrophobicContact CG1-CD2 3.89Å; V328-L337 HydrophobicContact CG1-CG 3.74Å; Y330-L337 HydrophobicContact CD1-CB 4.47Å; Y330-L337 HydrophobicContact CD1-CD1 3.91Å; Y330-L337 HydrophobicContact CD2-CD1 3.64Å; Y330-L337 HydrophobicContact CE1-CB 4.33Å; Y330-L337 HydrophobicContact CE1-CD1 3.82Å; Y330-L337 HydrophobicContact CE2-CD1 3.5Å; Y330-L337 HydrophobicContact CG-CD1 3.84Å; L337-Y339 HydrophobicContact CB-CD1 4.46Å; L337-Y339 HydrophobicContact CD2-CD1 3.98Å; L337-Y339 HydrophobicContact CD2-CE1 4.23Å; L337-Y339 HydrophobicContact CG-CD1 4.01Å; L337-Y339 HydrophobicContact CG-CE1 4.48Å; L337-L348 HydrophobicContact CB-CB 4.37Å; L337-L348 HydrophobicContact CB-CD2 4.42Å; L337-L348 PolarHBondContact N-O 2.84Å; L337-L348 PolarHBondContact O-N 2.85Å; L337-V350 HydrophobicContact CB-CG2 3.99Å |
| 338 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | -179.3 | -50 | 169.2 | 0 | 0 | 0 | 107.4 | I42 V329 I345 K346 V347 I370 L372 I414 | I42-I338 HydrophobicContact CD1-CD1 4.21Å; I42-I338 HydrophobicContact CG1-CD1 4.4Å; I42-I338 HydrophobicContact CG2-CD1 4.33Å; V329-I338 HydrophobicContact CG2-CB 3.96Å; V329-I338 PolarHBondContact N-O 3Å; V329-I338 PolarHBondContact O-N 2.81Å; I338-I345 HydrophobicContact CG2-CG2 3.48Å; I338-I345 VanDerWaalsContact CG2-CG2 3.48Å; I338-K346 VanDerWaalsContact CA-O 3.32Å; I338-K346 WeakPolarHBondContact CA-O 3.43Å; I338-V347 HydrophobicContact CG1-CG1 4.41Å; I338-V347 HydrophobicContact CG1-CG2 4.43Å; I338-V347 HydrophobicContact CG2-CG2 4.45Å; I338-I370 HydrophobicContact CB-CD1 4.24Å; I338-I370 HydrophobicContact CG2-CD1 3.76Å; I338-I370 WeakPolarHBondContact O-CD1 3.28Å; I338-L372 HydrophobicContact CD1-CB 4.5Å; I338-L372 HydrophobicContact CD1-CD1 4.25Å; I338-L372 HydrophobicContact CD1-CD2 3.97Å; I338-L372 HydrophobicContact CD1-CG 4.48Å; I338-I414 HydrophobicContact CD1-CD1 4.22Å; I338-I414 HydrophobicContact CG2-CD1 4.01Å |
| 339 | Y | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 143.6 | -177.9 | 53.4 | -82.9 | 0 | 0 | 0 | 112.5 | L271 E287 L337 T341 I345 K346 L348 | L271-Y339 HydrophobicContact CD1-CD1 4Å; L271-Y339 HydrophobicContact CD1-CD2 3.84Å; L271-Y339 HydrophobicContact CD1-CE1 3.86Å; L271-Y339 HydrophobicContact CD1-CE2 3.69Å; L271-Y339 HydrophobicContact CD1-CG 4Å; E287-Y339 HydrophobicContact CG-CE2 3.85Å; E287-Y339 PolarHBondContact OE1-OH 3.09Å; L337-Y339 HydrophobicContact CB-CD1 4.46Å; L337-Y339 HydrophobicContact CD2-CD1 3.98Å; L337-Y339 HydrophobicContact CD2-CE1 4.23Å; L337-Y339 HydrophobicContact CG-CD1 4.01Å; L337-Y339 HydrophobicContact CG-CE1 4.48Å; Y339-T341 HydrophobicContact CD2-CG2 3.54Å; Y339-T341 HydrophobicContact CE2-CG2 3.6Å; Y339-I345 CarbonylContact O-C 3.57Å; Y339-K346 HydrophobicContact CD2-CB 4.33Å; Y339-K346 HydrophobicContact CE1-CB 4.27Å; Y339-K346 HydrophobicContact CE2-CB 3.85Å; Y339-K346 HydrophobicContact CE2-CD 3.92Å; Y339-K346 HydrophobicContact CE2-CG 4.38Å; Y339-K346 PolarHBondContact N-O 3.34Å; Y339-K346 PolarHBondContact O-N 2.89Å; Y339-L348 HydrophobicContact CE1-CB 3.72Å; Y339-L348 HydrophobicContact CE1-CD2 4.24Å |
| 340 | P | 97.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.6 | 179.4 | 29.4 | -24.3 | 0 | 0 | 0 | 111.5 | T326 K327 I345 R366 F367 L368 I370 | T326-P340 HydrophobicContact CG2-CG 4.14Å; K327-P340 WeakPolarHBondContact O-CD 3.33Å; P340-I345 HydrophobicContact CB-CG1 4.37Å; P340-R366 PolarHBondContact O-NH1 3.12Å; P340-F367 HydrophobicContact CB-CB 3.94Å; P340-F367 WeakPolarHBondContact CB-O 3.44Å; P340-L368 WeakPolarHBondContact CG-O 3.17Å; P340-I370 HydrophobicContact CB-CG2 4.36Å; P340-I370 HydrophobicContact CG-CG2 4.19Å |
| 341 | T | 96.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | trans | -132 | 177.1 | -178.3 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | E287 Y292 Y339 I343 G344 K346 R366 | E287-T341 HydrophobicContact CG-CG2 4.28Å; Y292-T341 WeakPolarHBondContact OH-CB 3.49Å; Y292-T341 WeakPolarHBondContact OH-CG2 3.36Å; Y292-T341 PolarHBondContact OH-OG1 2.88Å; Y339-T341 HydrophobicContact CD2-CG2 3.54Å; Y339-T341 HydrophobicContact CE2-CG2 3.6Å; T341-I343 PolarHBondContact O-N 2.94Å; T341-I343 PolarHBondContact OG1-N 3.01Å; T341-G344 PolarHBondContact N-O 2.82Å; T341-G344 PolarHBondContact O-N 3.31Å; T341-G344 PolarHBondContact OG1-N 2.98Å; T341-G344 PolarHBondContact OG1-O 2.7Å; T341-K346 HydrophobicContact CG2-CB 4.48Å; T341-K346 HydrophobicContact CG2-CD 3.9Å; T341-K346 HydrophobicContact CG2-CG 4.03Å; T341-R366 WeakPolarHBondContact O-CD 3.37Å; T341-R366 PolarHBondContact O-NE 3.45Å | ||
| 342 | M | 95.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -53.9 | -37.2 | 172.6 | -175.2 | -175.8 | 79.6 | 0 | 0 | 112.9 | L289 Y292 F306 K309 V310 E313 | L289-M342 HydrophobicContact CD1-SD 3.56Å; L289-M342 VanDerWaalsContact CD1-SD 3.56Å; Y292-M342 HydrophobicContact CD1-CE 3.93Å; Y292-M342 HydrophobicContact CD2-CB 4.29Å; Y292-M342 HydrophobicContact CD2-CE 4.21Å; Y292-M342 HydrophobicContact CE2-CB 4.16Å; Y292-M342 HydrophobicContact CG-CE 3.63Å; F306-M342 HydrophobicContact CD2-CE 4.41Å; F306-M342 HydrophobicContact CE2-CE 3.72Å; F306-M342 HydrophobicContact CZ-CE 3.96Å; K309-M342 HydrophobicContact CB-CG 3.96Å; K309-M342 HydrophobicContact CB-SD 4.47Å; V310-M342 HydrophobicContact CB-SD 4.48Å; V310-M342 HydrophobicContact CG2-CE 4.13Å; V310-M342 HydrophobicContact CG2-SD 3.86Å; E313-M342 HydrophobicContact CB-CB 4.43Å; E313-M342 HydrophobicContact CB-CG 3.93Å; E313-M342 HydrophobicContact CB-SD 3.98Å; E313-M342 HydrophobicContact CG-CB 4.1Å; E313-M342 HydrophobicContact CG-CG 4.15Å; E313-M342 HydrophobicContact CG-SD 4.27Å |
| 343 | I | 95 | Very high | 96 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -81.1 | -42.4 | -175.2 | -59.2 | -63.1 | 0 | 0 | 0 | 111.2 | Y292 Y299 L301 F306 K309 T341 I358 K361 | Y292-I343 HydrophobicContact CD1-CD1 4.04Å; Y292-I343 HydrophobicContact CD1-CG1 3.64Å; Y292-I343 HydrophobicContact CE1-CB 4.31Å; Y292-I343 HydrophobicContact CE1-CD1 4.14Å; Y292-I343 HydrophobicContact CE1-CG1 3.23Å; Y299-I343 HydrophobicContact CD1-CB 4.48Å; Y299-I343 HydrophobicContact CD1-CD1 4.3Å; Y299-I343 HydrophobicContact CD1-CG1 3.95Å; Y299-I343 HydrophobicContact CD1-CG2 3.97Å; Y299-I343 HydrophobicContact CD2-CD1 4.15Å; Y299-I343 HydrophobicContact CD2-CG1 4.4Å; Y299-I343 HydrophobicContact CE1-CG1 4Å; Y299-I343 HydrophobicContact CE2-CG1 4.47Å; Y299-I343 HydrophobicContact CG-CD1 3.99Å; Y299-I343 HydrophobicContact CG-CG1 4.14Å; L301-I343 HydrophobicContact CD1-CD1 3.69Å; L301-I343 HydrophobicContact CD1-CG2 4.33Å; F306-I343 HydrophobicContact CD2-CD1 4.43Å; F306-I343 HydrophobicContact CE2-CD1 4.23Å; K309-I343 PolarHBondContact NZ-O 3.44Å; T341-I343 PolarHBondContact O-N 2.94Å; T341-I343 PolarHBondContact OG1-N 3.01Å; I343-I358 HydrophobicContact CG2-CG2 4.06Å; I343-K361 HydrophobicContact CG2-CG 3.97Å; I343-K361 WeakPolarHBondContact O-CA 3.32Å |
| 344 | G | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 170.7 | -164 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T341 K346 L359 | T341-G344 PolarHBondContact N-O 2.82Å; T341-G344 PolarHBondContact O-N 3.31Å; T341-G344 PolarHBondContact OG1-N 2.98Å; T341-G344 PolarHBondContact OG1-O 2.7Å; G344-K346 PolarHBondContact O-N 3.12Å; G344-L359 CarbonylContact C-O 3.59Å; G344-L359 WeakPolarHBondContact CA-O 3.3Å |
| 345 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107.2 | 174.6 | -54.4 | 171.9 | 0 | 0 | 0 | 108.1 | I338 Y339 P340 I358 L359 F367 I370 I414 F427 | I338-I345 HydrophobicContact CG2-CG2 3.48Å; I338-I345 VanDerWaalsContact CG2-CG2 3.48Å; Y339-I345 CarbonylContact O-C 3.57Å; P340-I345 HydrophobicContact CB-CG1 4.37Å; I345-I358 CarbonylContact O-C 3.51Å; I345-I358 WeakPolarHBondContact O-CA 3.34Å; I345-L359 HydrophobicContact CB-CB 4.24Å; I345-L359 PolarHBondContact N-O 3.06Å; I345-L359 PolarHBondContact O-N 2.84Å; I345-F367 HydrophobicContact CD1-CB 4.26Å; I345-F367 HydrophobicContact CD1-CD2 4.19Å; I345-F367 HydrophobicContact CD1-CG 4.07Å; I345-F367 HydrophobicContact CG1-CB 4.02Å; I345-F367 HydrophobicContact CG1-CD2 3.9Å; I345-F367 HydrophobicContact CG1-CG 4.06Å; I345-I370 HydrophobicContact CD1-CG2 3.94Å; I345-I370 HydrophobicContact CG1-CG2 4.38Å; I345-I370 HydrophobicContact CG2-CD1 4.25Å; I345-I414 HydrophobicContact CD1-CG2 4.33Å; I345-F427 HydrophobicContact CD1-CD2 3.93Å; I345-F427 HydrophobicContact CD1-CE2 3.61Å; I345-F427 HydrophobicContact CD1-CZ 4.25Å |
| 346 | K | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 142.4 | 178.9 | -73.1 | -171.5 | 175 | 171.8 | 0 | 110.5 | E287 Y292 I338 Y339 T341 G344 I358 | E287-K346 WeakPolarHBondContact OE1-CD 3.16Å; E287-K346 IonicContact OE1-NZ 3.88Å; E287-K346 PolarHBondContact OE1-NZ 2.79Å; E287-K346 IonicContact OE2-NZ 3.32Å; E287-K346 PolarHBondContact OE2-NZ 3.2Å; Y292-K346 WeakPolarHBondContact OH-CE 3.18Å; Y292-K346 PolarHBondContact OH-NZ 2.78Å; Y292-K346 VanDerWaalsContact OH-NZ 3.12Å; I338-K346 VanDerWaalsContact CA-O 3.32Å; I338-K346 WeakPolarHBondContact CA-O 3.43Å; Y339-K346 HydrophobicContact CD2-CB 4.33Å; Y339-K346 HydrophobicContact CE1-CB 4.27Å; Y339-K346 HydrophobicContact CE2-CB 3.85Å; Y339-K346 HydrophobicContact CE2-CD 3.92Å; Y339-K346 HydrophobicContact CE2-CG 4.38Å; Y339-K346 PolarHBondContact N-O 3.34Å; Y339-K346 PolarHBondContact O-N 2.89Å; T341-K346 HydrophobicContact CG2-CB 4.48Å; T341-K346 HydrophobicContact CG2-CD 3.9Å; T341-K346 HydrophobicContact CG2-CG 4.03Å; G344-K346 PolarHBondContact O-N 3.12Å; K346-I358 HydrophobicContact CG-CG1 4.27Å |
| 347 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 110.6 | 169.2 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | I42 F336 I338 C355 V356 R357 | I42-V347 HydrophobicContact CD1-CG1 3.76Å; I42-V347 HydrophobicContact CG2-CG1 4.31Å; I42-V347 HydrophobicContact CG2-CG2 3.92Å; F336-V347 HydrophobicContact CB-CG1 4Å; F336-V347 HydrophobicContact CD1-CG1 4.03Å; F336-V347 HydrophobicContact CG-CG1 4.2Å; I338-V347 HydrophobicContact CG1-CG1 4.41Å; I338-V347 HydrophobicContact CG1-CG2 4.43Å; I338-V347 HydrophobicContact CG2-CG2 4.45Å; V347-C355 CarbonylContact O-C 3.48Å; V347-C355 WeakPolarHBondContact O-CA 3.38Å; V347-V356 HydrophobicContact CB-CG2 4Å; V347-V356 HydrophobicContact CG1-CG2 3.67Å; V347-V356 VanDerWaalsContact O-CG2 3.31Å; V347-V356 WeakPolarHBondContact O-CG2 3.46Å; V347-V356 PolarHBondContact O-N 3.26Å; V347-R357 HydrophobicContact CB-CB 4.01Å; V347-R357 HydrophobicContact CG2-CB 3.94Å; V347-R357 PolarHBondContact N-O 3.02Å |
| 348 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.6 | -178.1 | 173.9 | 73.6 | 0 | 0 | 0 | 109.8 | P16 F273 I285 F336 L337 Y339 V350 | P16-L348 HydrophobicContact CG-CD1 3.75Å; F273-L348 HydrophobicContact CZ-CD2 3.98Å; I285-L348 HydrophobicContact CD1-CD1 4.22Å; I285-L348 HydrophobicContact CD1-CD2 3.31Å; I285-L348 HydrophobicContact CD1-CG 4.41Å; F336-L348 CarbonylContact C-O 3.58Å; F336-L348 WeakPolarHBondContact CA-O 3.48Å; L337-L348 HydrophobicContact CB-CB 4.37Å; L337-L348 HydrophobicContact CB-CD2 4.42Å; L337-L348 PolarHBondContact N-O 2.84Å; L337-L348 PolarHBondContact O-N 2.85Å; Y339-L348 HydrophobicContact CE1-CB 3.72Å; Y339-L348 HydrophobicContact CE1-CD2 4.24Å; L348-V350 PolarHBondContact O-N 2.95Å |
| 349 | N | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.6 | 163.9 | -177.4 | -39.4 | 0 | 0 | 0 | 109.2 | L32 E35 F336 K351 T352 N353 R354 V356 | L32-N349 WeakPolarHBondContact CB-ND2 3.42Å; E35-N349 PolarHBondContact OE2-ND2 3.1Å; F336-N349 HydrophobicContact CD1-CB 4.05Å; F336-N349 HydrophobicContact CE1-CB 3.85Å; N349-K351 VanDerWaalsContact C-N 3.33Å; N349-K351 PolarHBondContact O-N 2.84Å; N349-K351 WeakPolarHBondContact OD1-CA 3.14Å; N349-K351 WeakPolarHBondContact OD1-CB 3.33Å; N349-K351 PolarHBondContact OD1-N 2.78Å; N349-T352 VanDerWaalsContact CB-OG1 3.3Å; N349-T352 WeakPolarHBondContact CB-OG1 3.3Å; N349-T352 PolarHBondContact OD1-N 3.5Å; N349-T352 PolarHBondContact OD1-OG1 3.01Å; N349-N353 VanDerWaalsContact O-CA 3.24Å; N349-N353 WeakPolarHBondContact O-CA 3.4Å; N349-N353 PolarHBondContact O-N 3.37Å; N349-R354 PolarHBondContact N-O 3.19Å; N349-V356 HydrophobicContact CB-CG1 3.99Å |
| 350 | V | 94.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.085 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -32.2 | -173.1 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | K283 Y330 N335 L337 L348 N353 | K283-V350 PolarHBondContact NZ-O 2.6Å; Y330-V350 HydrophobicContact CD1-CG2 4.29Å; Y330-V350 HydrophobicContact CE1-CG2 3.65Å; N335-V350 WeakPolarHBondContact O-CB 3.5Å; N335-V350 WeakPolarHBondContact O-CG2 3.42Å; N335-V350 PolarHBondContact O-N 3.46Å; L337-V350 HydrophobicContact CB-CG2 3.99Å; L348-V350 PolarHBondContact O-N 2.95Å; V350-N353 PolarHBondContact O-OD1 2.9Å |
| 351 | K | 91.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 24.2 Ų | 24.2 | 42% | 0.422 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -40.6 | -179.1 | -171.7 | -178.6 | -174.8 | -175.1 | 0 | 112 | R30 A31 L32 N349 | R30-K351 HydrophobicContact CB-CG 4.5Å; A31-K351 VanDerWaalsContact O-CE 3.29Å; A31-K351 WeakPolarHBondContact O-CE 3.23Å; A31-K351 PolarHBondContact O-NZ 3.24Å; L32-K351 HydrophobicContact CB-CD 4.26Å; L32-K351 HydrophobicContact CD1-CD 4.07Å; N349-K351 VanDerWaalsContact C-N 3.33Å; N349-K351 PolarHBondContact O-N 2.84Å; N349-K351 WeakPolarHBondContact OD1-CA 3.14Å; N349-K351 WeakPolarHBondContact OD1-CB 3.33Å; N349-K351 PolarHBondContact OD1-N 2.78Å |
| 352 | T | 92.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 17% | 0.172 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -11.9 | -174.6 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | R30 N349 R354 | R30-T352 WeakPolarHBondContact O-CG2 3.36Å; N349-T352 VanDerWaalsContact CB-OG1 3.3Å; N349-T352 WeakPolarHBondContact CB-OG1 3.3Å; N349-T352 PolarHBondContact OD1-N 3.5Å; N349-T352 PolarHBondContact OD1-OG1 3.01Å; T352-R354 PolarHBondContact O-N 3.4Å; T352-R354 PolarHBondContact OG1-N 2.76Å |
| 353 | N | 91.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 25.5 | -174.1 | -61.6 | -44.4 | 0 | 0 | 0 | 114.1 | P16 L18 K283 N349 V350 | P16-N353 WeakPolarHBondContact CD-O 3.25Å; L18-N353 HydrophobicContact CD2-CB 4.4Å; K283-N353 VanDerWaalsContact CD-OD1 3.23Å; K283-N353 WeakPolarHBondContact CD-OD1 3.46Å; K283-N353 PolarHBondContact NZ-OD1 3.21Å; N349-N353 VanDerWaalsContact O-CA 3.24Å; N349-N353 WeakPolarHBondContact O-CA 3.4Å; N349-N353 PolarHBondContact O-N 3.37Å; V350-N353 PolarHBondContact O-OD1 2.9Å |
| 354 | R | 92.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 32 Ų | 32 | 44% | 0.442 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.2 | 178.4 | -66.7 | 179.3 | 172.5 | -172.2 | -10.2 | 110.8 | N349 T352 V356 | N349-R354 PolarHBondContact N-O 3.19Å; T352-R354 PolarHBondContact O-N 3.4Å; T352-R354 PolarHBondContact OG1-N 2.76Å; R354-V356 PolarHBondContact O-N 3.49Å |
| 355 | C | 94.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 109.6 | 167 | -165.9 | 0 | 0 | 0 | 0 | 107.6 | C14 V347 R357 | C14-C355 WeakPolarHBondContact O-CB 3.3Å; V347-C355 CarbonylContact O-C 3.48Å; V347-C355 WeakPolarHBondContact O-CA 3.38Å; C355-R357 PolarHBondContact SG-O 2.64Å |
| 356 | V | 94.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 26% | 0.261 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -26.7 | -175.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | L39 F336 V347 N349 R354 | L39-V356 HydrophobicContact CD2-CG2 3.75Å; F336-V356 HydrophobicContact CD1-CG2 3.99Å; F336-V356 HydrophobicContact CE1-CG2 3.91Å; V347-V356 HydrophobicContact CB-CG2 4Å; V347-V356 HydrophobicContact CG1-CG2 3.67Å; V347-V356 VanDerWaalsContact O-CG2 3.31Å; V347-V356 WeakPolarHBondContact O-CG2 3.46Å; V347-V356 PolarHBondContact O-N 3.26Å; N349-V356 HydrophobicContact CB-CG1 3.99Å; R354-V356 PolarHBondContact O-N 3.49Å |
| 357 | R | 95.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 20% | 0.2 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.2 | 176 | -60.6 | -175.2 | -177.9 | 164.4 | 3.2 | 111.6 | L39 I42 P43 V347 C355 L359 | L39-R357 PolarHBondContact O-NH1 2.77Å; L39-R357 VanDerWaalsContact O-NH1 3.15Å; L39-R357 PolarHBondContact O-NH2 3.28Å; L39-R357 VanDerWaalsContact O-NH2 3.07Å; I42-R357 PolarHBondContact O-NH1 2.68Å; P43-R357 VanDerWaalsContact C-NH1 3.31Å; P43-R357 PolarHBondContact O-NH1 3.28Å; V347-R357 HydrophobicContact CB-CB 4.01Å; V347-R357 HydrophobicContact CG2-CB 3.94Å; V347-R357 PolarHBondContact N-O 3.02Å; C355-R357 PolarHBondContact SG-O 2.64Å; R357-L359 HydrophobicContact CB-CD2 4.5Å |
| 358 | I | 96.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 102 | 169.8 | -51.2 | -178 | 0 | 0 | 0 | 108.1 | Y299 I343 I345 K346 K361 | Y299-I358 HydrophobicContact CD1-CD1 4.46Å; Y299-I358 HydrophobicContact CE1-CD1 4.47Å; I343-I358 HydrophobicContact CG2-CG2 4.06Å; I345-I358 CarbonylContact O-C 3.51Å; I345-I358 WeakPolarHBondContact O-CA 3.34Å; K346-I358 HydrophobicContact CG-CG1 4.27Å; I358-K361 HydrophobicContact CG2-CB 4.07Å |
| 359 | L | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 146.3 | 178.6 | -44.1 | 174.9 | 0 | 0 | 0 | 110 | P43 A45 G344 I345 R357 K361 I414 F427 | P43-L359 HydrophobicContact CB-CD1 4.1Å; P43-L359 WeakPolarHBondContact O-CD2 3.46Å; A45-L359 WeakPolarHBondContact O-CD2 3.49Å; G344-L359 CarbonylContact C-O 3.59Å; G344-L359 WeakPolarHBondContact CA-O 3.3Å; I345-L359 HydrophobicContact CB-CB 4.24Å; I345-L359 PolarHBondContact N-O 3.06Å; I345-L359 PolarHBondContact O-N 2.84Å; R357-L359 HydrophobicContact CB-CD2 4.5Å; L359-K361 PolarHBondContact O-N 3.31Å; L359-I414 HydrophobicContact CD1-CD1 3.68Å; L359-F427 HydrophobicContact CB-CD1 3.85Å; L359-F427 HydrophobicContact CB-CE1 4.02Å; L359-F427 HydrophobicContact CB-CG 4.39Å; L359-F427 HydrophobicContact CD1-CB 4.27Å; L359-F427 HydrophobicContact CD1-CG 4.47Å |
| 360 | G | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 21.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N46 S362 E363 | N46-G360 WeakPolarHBondContact O-CA 3.38Å; N46-G360 PolarHBondContact O-N 3.2Å; G360-S362 VanDerWaalsContact C-N 3.32Å; G360-S362 PolarHBondContact O-N 3.28Å; G360-E363 VanDerWaalsContact O-CB 3.3Å; G360-E363 WeakPolarHBondContact O-CB 3.42Å; G360-E363 PolarHBondContact O-N 3.18Å |
| 361 | K | 93.2 | Very high | 94.6 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -41.6 | -177.4 | -179.7 | 179.4 | 175.2 | -174.3 | 0 | 112.4 | Y299 L301 K309 I343 I358 L359 E363 | Y299-K361 WeakPolarHBondContact O-CE 3.28Å; Y299-K361 PolarHBondContact O-NZ 2.86Å; L301-K361 HydrophobicContact CD2-CG 4.31Å; K309-K361 WeakPolarHBondContact CE-O 3.34Å; K309-K361 PolarHBondContact NZ-O 3.28Å; I343-K361 HydrophobicContact CG2-CG 3.97Å; I343-K361 WeakPolarHBondContact O-CA 3.32Å; I358-K361 HydrophobicContact CG2-CB 4.07Å; L359-K361 PolarHBondContact O-N 3.31Å; K361-E363 PolarHBondContact O-N 2.97Å |
| 362 | S | 88.9 | Confident | 94.9 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 53% | 0.531 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.5 | 177.1 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | G360 | G360-S362 VanDerWaalsContact C-N 3.32Å; G360-S362 PolarHBondContact O-N 3.28Å |
| 363 | E | 92.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | trans | -81.1 | 136.2 | -174.5 | -59.1 | -61 | 158.5 | 0 | 0 | 111.6 | A47 Y48 K309 G360 K361 V365 F367 R442 | A47-E363 VanDerWaalsContact CB-OE1 3.26Å; A47-E363 WeakPolarHBondContact CB-OE1 3.46Å; Y48-E363 HydrophobicContact CD1-CG 3.96Å; Y48-E363 VanDerWaalsContact CE1-CD 3.49Å; Y48-E363 HydrophobicContact CE1-CG 4.17Å; Y48-E363 VanDerWaalsContact CE1-OE2 3.25Å; Y48-E363 WeakPolarHBondContact CE1-OE2 3.38Å; K309-E363 WeakPolarHBondContact CE-O 3.46Å; K309-E363 PolarHBondContact NZ-O 2.99Å; G360-E363 VanDerWaalsContact O-CB 3.3Å; G360-E363 WeakPolarHBondContact O-CB 3.42Å; G360-E363 PolarHBondContact O-N 3.18Å; K361-E363 PolarHBondContact O-N 2.97Å; E363-V365 HydrophobicContact CB-CG2 3.6Å; E363-V365 HydrophobicContact CG-CG2 4.45Å; E363-V365 PolarHBondContact O-N 3.49Å; E363-F367 HydrophobicContact CB-CE2 4.24Å; E363-F367 HydrophobicContact CB-CZ 4.21Å; E363-F367 HydrophobicContact CG-CZ 4.31Å; E363-R442 IonicContact OE1-CZ 3.92Å; E363-R442 IonicContact OE1-NH1 3.49Å; E363-R442 IonicContact OE1-NH2 2.78Å; E363-R442 PolarHBondContact OE1-NH2 3.39Å; E363-R442 IonicContact OE2-NH1 2.63Å; E363-R442 IonicContact OE2-NH2 3.14Å | ||
| 364 | N | 90.5 | Very high | 95 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 40% | 0.401 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -86.3 | 31 | 175 | -73.5 | -44.2 | 0 | 0 | 0 | 112.4 | ||
| 365 | V | 93.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 11% | 0.109 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -118.9 | 142.9 | 176.8 | -89.7 | 0 | 0 | 0 | 0 | 110.7 | E363 F367 A418 K421 | E363-V365 HydrophobicContact CB-CG2 3.6Å; E363-V365 HydrophobicContact CG-CG2 4.45Å; E363-V365 PolarHBondContact O-N 3.49Å; V365-F367 HydrophobicContact CB-CE1 4.49Å; V365-F367 HydrophobicContact CB-CZ 4.39Å; V365-F367 HydrophobicContact CG2-CE1 3.83Å; V365-F367 HydrophobicContact CG2-CE2 4.08Å; V365-F367 HydrophobicContact CG2-CZ 3.44Å; V365-F367 VanDerWaalsContact CG2-CZ 3.44Å; V365-A418 HydrophobicContact CB-CB 4.21Å; V365-A418 HydrophobicContact CG1-CB 4.41Å; V365-K421 HydrophobicContact CG1-CD 4.35Å; V365-K421 HydrophobicContact CG1-CG 4.11Å |
| 366 | R | 96.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | trans | -98 | 100 | 174.7 | 178.1 | 50.8 | 167.4 | 109.2 | -8.1 | 109.6 | I312 E313 L316 P340 T341 A418 Y419 | I312-R366 HydrophobicContact CG2-CB 3.68Å; I312-R366 HydrophobicContact CG2-CG 4.37Å; E313-R366 IonicContact OE1-CZ 3.09Å; E313-R366 IonicContact OE1-NE 3.95Å; E313-R366 PolarHBondContact OE1-NE 2.68Å; E313-R366 IonicContact OE1-NH2 3.94Å; E313-R366 PolarHBondContact OE1-NH2 3.4Å; E313-R366 WeakPolarHBondContact OE2-CD 3.44Å; E313-R366 IonicContact OE2-CZ 3.45Å; E313-R366 IonicContact OE2-NE 2.7Å; E313-R366 PolarHBondContact OE2-NE 3.13Å; E313-R366 IonicContact OE2-NH2 3.86Å; L316-R366 HydrophobicContact CD2-CG 3.78Å; P340-R366 PolarHBondContact O-NH1 3.12Å; T341-R366 WeakPolarHBondContact O-CD 3.37Å; T341-R366 PolarHBondContact O-NE 3.45Å; R366-A418 CarbonylContact O-C 3.26Å; R366-A418 VanDerWaalsContact O-CA 3.28Å; R366-A418 WeakPolarHBondContact O-CA 3.36Å; R366-A418 WeakPolarHBondContact O-CB 3.39Å; R366-Y419 PolarHBondContact O-N 2.86Å | ||
| 367 | F | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 151.5 | 177.1 | -60.7 | -65 | 0 | 0 | 0 | 111.9 | P340 I345 E363 V365 S416 S417 A418 Y425 F427 | P340-F367 HydrophobicContact CB-CB 3.94Å; P340-F367 WeakPolarHBondContact CB-O 3.44Å; I345-F367 HydrophobicContact CD1-CB 4.26Å; I345-F367 HydrophobicContact CD1-CD2 4.19Å; I345-F367 HydrophobicContact CD1-CG 4.07Å; I345-F367 HydrophobicContact CG1-CB 4.02Å; I345-F367 HydrophobicContact CG1-CD2 3.9Å; I345-F367 HydrophobicContact CG1-CG 4.06Å; E363-F367 HydrophobicContact CB-CE2 4.24Å; E363-F367 HydrophobicContact CB-CZ 4.21Å; E363-F367 HydrophobicContact CG-CZ 4.31Å; V365-F367 HydrophobicContact CB-CE1 4.49Å; V365-F367 HydrophobicContact CB-CZ 4.39Å; V365-F367 HydrophobicContact CG2-CE1 3.83Å; V365-F367 HydrophobicContact CG2-CE2 4.08Å; V365-F367 HydrophobicContact CG2-CZ 3.44Å; V365-F367 VanDerWaalsContact CG2-CZ 3.44Å; F367-S416 WeakPolarHBondContact CB-OG 3.38Å; F367-S416 VanDerWaalsContact CD1-OG 3.23Å; F367-S416 WeakPolarHBondContact CD1-OG 3.37Å; F367-S417 CarbonylContact C-O 3.48Å; F367-S417 VanDerWaalsContact CA-O 3.26Å; F367-S417 WeakPolarHBondContact CA-O 3.3Å; F367-A418 HydrophobicContact CD1-CB 4.21Å; F367-Y425 HydrophobicContact CD1-CD2 4.19Å; F367-Y425 HydrophobicContact CE1-CD1 4.44Å; F367-Y425 AromaticContact CE1-CD2 3.76Å; F367-Y425 HydrophobicContact CE1-CD2 3.76Å; F367-Y425 HydrophobicContact CE1-CE2 4.37Å; F367-Y425 AromaticContact CE1-CG 3.82Å; F367-Y425 HydrophobicContact CE1-CG 3.82Å; F367-F427 HydrophobicContact CD1-CE2 4.35Å; F367-F427 HydrophobicContact CD2-CZ 4.48Å; F367-F427 AromaticContact CE1-CE2 3.87Å; F367-F427 HydrophobicContact CE1-CE2 3.87Å; F367-F427 AromaticContact CE1-CZ 3.97Å; F367-F427 HydrophobicContact CE1-CZ 3.97Å; F367-F427 HydrophobicContact CE2-CE2 4.25Å; F367-F427 AromaticContact CE2-CZ 3.72Å; F367-F427 HydrophobicContact CE2-CZ 3.72Å; F367-F427 AromaticContact CZ-CE2 3.83Å; F367-F427 HydrophobicContact CZ-CE2 3.83Å; F367-F427 AromaticContact CZ-CZ 3.43Å; F367-F427 HydrophobicContact CZ-CZ 3.43Å; F367-F427 VanDerWaalsContact CZ-CZ 3.43Å |
| 368 | L | 97.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -78.4 | -175.4 | -68.5 | 177.8 | 0 | 0 | 0 | 113.7 | L316 F325 T326 K327 P340 S417 Y419 | L316-L368 HydrophobicContact CD1-CD1 4.25Å; L316-L368 HydrophobicContact CD1-CD2 3.89Å; L316-L368 HydrophobicContact CD2-CD2 3.66Å; L316-L368 HydrophobicContact CG-CD2 4.43Å; F325-L368 CarbonylContact O-C 3.5Å; T326-L368 WeakPolarHBondContact CA-O 3.09Å; K327-L368 PolarHBondContact N-O 2.91Å; P340-L368 WeakPolarHBondContact CG-O 3.17Å; L368-S417 PolarHBondContact N-O 3Å; L368-Y419 HydrophobicContact CD1-CD2 4.23Å |
| 369 | C | 98.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.6 | 175.5 | -166.7 | 0 | 0 | 0 | 0 | 108.1 | V61 F325 S416 S417 | V61-C369 HydrophobicContact CG2-CB 4.1Å; V61-C369 WeakPolarHBondContact CG2-O 3.44Å; V61-C369 PolarHBondContact N-SG 3.48Å; V61-C369 PolarHBondContact O-SG 3.24Å; F325-C369 VanDerWaalsContact O-CA 3.23Å; F325-C369 WeakPolarHBondContact O-CA 3.41Å; F325-C369 VanDerWaalsContact O-CB 3.22Å; F325-C369 WeakPolarHBondContact O-CB 3.42Å; F325-C369 PolarHBondContact O-N 3.25Å; C369-S416 CarbonylContact O-C 3.4Å; C369-S416 VanDerWaalsContact O-CA 3.3Å; C369-S416 WeakPolarHBondContact O-CA 3.49Å; C369-S417 WeakPolarHBondContact CA-OG 3.38Å; C369-S417 WeakPolarHBondContact CB-OG 3.35Å; C369-S417 PolarHBondContact N-OG 3.04Å; C369-S417 PolarHBondContact O-N 2.97Å; C369-S417 PolarHBondContact O-OG 3.1Å |
| 370 | I | 98.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.7 | 176.8 | 59.7 | 168.8 | 0 | 0 | 0 | 110.7 | K327 V329 I338 P340 I345 I414 V415 S416 | K327-I370 WeakPolarHBondContact O-CG1 3.49Å; V329-I370 HydrophobicContact CG1-CG1 4.46Å; V329-I370 HydrophobicContact CG2-CD1 3.86Å; V329-I370 HydrophobicContact CG2-CG1 4.19Å; I338-I370 HydrophobicContact CB-CD1 4.24Å; I338-I370 HydrophobicContact CG2-CD1 3.76Å; I338-I370 WeakPolarHBondContact O-CD1 3.28Å; P340-I370 HydrophobicContact CB-CG2 4.36Å; P340-I370 HydrophobicContact CG-CG2 4.19Å; I345-I370 HydrophobicContact CD1-CG2 3.94Å; I345-I370 HydrophobicContact CG1-CG2 4.38Å; I345-I370 HydrophobicContact CG2-CD1 4.25Å; I370-I414 HydrophobicContact CB-CG2 4.42Å; I370-V415 CarbonylContact C-O 3.54Å; I370-V415 VanDerWaalsContact CA-O 3.3Å; I370-V415 WeakPolarHBondContact CA-O 3.35Å; I370-S416 WeakPolarHBondContact CG2-OG 3.13Å |
| 371 | A | 98.1 | Very high | 86 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V61 A63 I414 V415 | V61-A371 HydrophobicContact CG2-CB 4.26Å; A63-A371 HydrophobicContact CB-CB 3.94Å; A371-I414 WeakPolarHBondContact O-CA 3.21Å; A371-V415 PolarHBondContact N-O 3.16Å; A371-V415 PolarHBondContact O-N 3.01Å |
| 372 | L | 97.3 | Very high | 83.1 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 18% | 0.183 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.2 | 172 | -179 | 67.9 | 0 | 0 | 0 | 108.7 | V329 D331 I338 I414 | V329-L372 HydrophobicContact CG2-CB 4.49Å; D331-L372 HydrophobicContact CB-CD2 3.98Å; I338-L372 HydrophobicContact CD1-CB 4.5Å; I338-L372 HydrophobicContact CD1-CD1 4.25Å; I338-L372 HydrophobicContact CD1-CD2 3.97Å; I338-L372 HydrophobicContact CD1-CG 4.48Å; L372-I414 HydrophobicContact CD1-CD1 4.21Å; L372-I414 HydrophobicContact CD1-CG1 3.55Å |
| 373 | C | 96 | Very high | 80.4 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 156.2 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | A63 K83 S375 M413 | A63-C373 HydrophobicContact CB-CB 4.44Å; K83-C373 HydrophobicContact CD-CB 3.91Å; C373-S375 PolarHBondContact O-N 3.45Å; C373-M413 HydrophobicContact CB-CB 4.03Å; C373-M413 WeakPolarHBondContact CB-O 3.47Å; C373-M413 PolarHBondContact N-O 3.06Å |
| 374 | R | 90 | Very high | 77.3 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 133.8 | 171.6 | -65.6 | -176.9 | 58 | 75.7 | -2.4 | 110.5 | R65 K83 H85 V376 | R65-R374 WeakPolarHBondContact O-CD 3.41Å; K83-R374 PolarHBondContact NZ-O 3.06Å; H85-R374 PolarHBondContact CE1-O 3.48Å; R374-V376 PolarHBondContact NE-O 3.43Å |
| 375 | S | 85.3 | Confident | 74.4 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -79.5 | -23 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | S41 C373 D411 | S41-S375 PolarHBondContact OG-OG 3.04Å; C373-S375 PolarHBondContact O-N 3.45Å; S375-D411 WeakPolarHBondContact CA-O 3.46Å; S375-D411 PolarHBondContact O-N 3.02Å |
| 376 | V | 84.7 | Confident | 71.3 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 35% | 0.352 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -123.4 | 145.2 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | H85 R374 P410 | H85-V376 PolarHBondContact CE1-O 3.18Å; R374-V376 PolarHBondContact NE-O 3.43Å; V376-P410 HydrophobicContact CG1-CB 4.47Å |
| 377 | P | 79.6 | Confident | 68.1 | Low | 79 Ų | 79 | 70.1 Ų | 70.1 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | trans | -49.7 | 142.3 | 179.3 | -28.1 | 33.4 | 0 | 0 | 0 | 113.4 | H85 | H85-P377 HydrophobicContact CB-CG 4.17Å; H85-P377 VanDerWaalsContact CE1-N 3.29Å; H85-P377 WeakPolarHBondContact NE2-CA 3.17Å | ||
| 378 | S | 71.3 | Confident | 64.7 | Low | 23 Ų | 23 | 79.3 Ų | 79.3 | 16% | 0.161 | 46% | 0.459 | C | S | . | . | trans | -64.6 | 141.6 | 168.6 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | R65 D67 F380 | R65-S378 WeakPolarHBondContact O-CB 3.23Å; D67-S378 WeakPolarHBondContact OD2-CB 3.5Å; D67-S378 PolarHBondContact OD2-N 3.1Å; D67-S378 PolarHBondContact OD2-OG 2.84Å; S378-F380 VanDerWaalsContact C-N 3.35Å | ||
| 379 | T | 65.9 | Low | 61.6 | Low | 129 Ų | 129 | 83.7 Ų | 83.7 | 79% | 0.791 | 50% | 0.496 | S | S | * | . | trans | -90.2 | -3 | 173.1 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 380 | F | 49.9 | Very low | 58.7 | Low | 172 Ų | 172 | 87 Ų | 87 | 75% | 0.754 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -90.2 | 129 | -179.4 | -85.1 | -87.1 | 0 | 0 | 0 | 111 | S378 | S378-F380 VanDerWaalsContact C-N 3.35Š|
| 381 | G | 40.3 | Very low | 55.8 | Low | 82 Ų | 82 | 90.9 Ų | 90.9 | 85% | 0.845 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 97 | -3.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | E383 | G381-E383 PolarHBondContact O-N 2.86Š|
| 382 | V | 33 | Very low | 53.4 | Low | 106 Ų | 106 | 95.1 Ų | 95.1 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | trans | -89.8 | 88 | 171 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | S384 | V382-S384 VanDerWaalsContact CG1-CB 3.49Å; V382-S384 WeakPolarHBondContact CG1-OG 3.48Å; V382-S384 PolarHBondContact O-N 2.94Å | ||
| 383 | E | 31.1 | Very low | 51.4 | Low | 198 Ų | 198 | 96.1 Ų | 96.1 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | trans | -69.1 | 78.5 | 153.6 | -74.6 | -168.8 | 173.3 | 0 | 0 | 107.9 | G381 | G381-E383 PolarHBondContact O-N 2.86Š| ||
| 384 | S | 27.7 | Very low | 49.8 | Very low | 88 Ų | 88 | 98.9 Ų | 98.9 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -142.4 | 112.8 | 169 | -56 | 0 | 0 | 0 | 0 | 108.5 | V382 | V382-S384 VanDerWaalsContact CG1-CB 3.49Å; V382-S384 WeakPolarHBondContact CG1-OG 3.48Å; V382-S384 PolarHBondContact O-N 2.94Å | ||
| 385 | G | 30.3 | Very low | 48.5 | Very low | 76 Ų | 76 | 99.9 Ų | 99.9 | 78% | 0.784 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -51.8 | 149.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 386 | R | 28.2 | Very low | 47.6 | Very low | 262 Ų | 262 | 106.2 Ų | 106.2 | 99% | 0.989 | 65% | 0.648 | S | S | * | * | trans | 73.4 | 59 | 173.9 | -55.6 | -179.6 | 169.2 | 178.9 | -3.1 | 115.6 | ||||
| 387 | G | 29.8 | Very low | 46.6 | Very low | 64 Ų | 64 | 107.9 Ų | 107.9 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | trans | -129.1 | 105.2 | 151 | 0 | 0 | 0 | 0 | 0 | 108 | A389 | G387-A389 PolarHBondContact O-N 2.61Å; G387-A389 VanDerWaalsContact O-N 3.15Å | ||
| 388 | Q | 27.6 | Very low | 45.7 | Very low | 193 Ų | 193 | 107.4 Ų | 107.4 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | trans | -47.2 | 124.8 | 164.7 | -72.3 | 165.8 | -15.8 | 0 | 0 | 106.8 | A390 | Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.34Å | ||
| 389 | A | 31.4 | Very low | 45.3 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 81% | 0.81 | 66% | 0.656 | S | S | * | * | trans | -46.5 | 108.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | G387 A391 | G387-A389 PolarHBondContact O-N 2.61Å; G387-A389 VanDerWaalsContact O-N 3.15Å; A389-A391 PolarHBondContact O-N 3.08Å | ||
| 390 | A | 37.7 | Very low | 45.3 | Very low | 75 Ų | 75 | 105.1 Ų | 105.1 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | trans | -55.3 | 109.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q388 A392 | Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.34Å; A390-A392 PolarHBondContact O-N 2.77Å; A390-A392 VanDerWaalsContact O-N 3.08Å | ||
| 391 | A | 36.6 | Very low | 45.8 | Very low | 85 Ų | 85 | 103.7 Ų | 103.7 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | trans | -49.1 | 124.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 106 | A389 I393 | A389-A391 PolarHBondContact O-N 3.08Å; A391-I393 PolarHBondContact O-N 2.47Å | ||
| 392 | A | 47.2 | Very low | 47 | Very low | 96 Ų | 96 | 102.8 Ų | 102.8 | 79% | 0.793 | 61% | 0.613 | S | S | * | * | trans | -47.4 | 106.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A390 T394 | A390-A392 PolarHBondContact O-N 2.77Å; A390-A392 VanDerWaalsContact O-N 3.08Å; A392-T394 PolarHBondContact O-N 3.12Å | ||
| 393 | I | 56.4 | Low | 48.2 | Very low | 57 Ų | 57 | 102.5 Ų | 102.5 | 29% | 0.292 | 61% | 0.613 | S | S | . | * | trans | -64.6 | 121.3 | -177.9 | -62.9 | 156.5 | 0 | 0 | 0 | 104.9 | A391 M397 E398 L405 | A391-I393 PolarHBondContact O-N 2.47Å; I393-M397 HydrophobicContact CG2-CB 3.8Å; I393-E398 HydrophobicContact CG2-CB 4.01Å; I393-L405 HydrophobicContact CD1-CD2 3.67Å; I393-L405 HydrophobicContact CG1-CD2 3.92Å; I393-L405 HydrophobicContact CG2-CD1 4.05Å; I393-L405 HydrophobicContact CG2-CD2 4.14Å | ||
| 394 | T | 62 | Low | 49.6 | Very low | 65 Ų | 65 | 99.8 Ų | 99.8 | 40% | 0.399 | 60% | 0.603 | S | S | . | * | trans | -66.8 | 147.8 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 108.4 | A392 E396 M397 E398 | A392-T394 PolarHBondContact O-N 3.12Å; T394-E396 PolarHBondContact O-N 3.41Å; T394-E396 VanDerWaalsContact O-N 3.11Å; T394-M397 HydrophobicContact CG2-SD 4.46Å; T394-M397 WeakPolarHBondContact O-CA 3.2Å; T394-M397 WeakPolarHBondContact O-CB 3.38Å; T394-M397 PolarHBondContact O-N 3.18Å; T394-M397 WeakPolarHBondContact OG1-CG 3.44Å; T394-M397 PolarHBondContact OG1-N 3.13Å; T394-E398 PolarHBondContact O-N 3.22Å | ||
| 395 | M | 62.8 | Low | 50.9 | Low | 79 Ų | 79 | 97.3 Ų | 97.3 | 39% | 0.389 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.5 | -32.1 | 177.4 | -82.9 | -171.5 | -92.1 | 0 | 0 | 112.6 | F34 Y38 E398 A399 | F34-M395 HydrophobicContact CD2-SD 4.4Å; Y38-M395 HydrophobicContact CE1-CE 4.39Å; Y38-M395 HydrophobicContact CE1-SD 3.56Å; Y38-M395 VanDerWaalsContact CE1-SD 3.56Å; Y38-M395 HydrophobicContact CE2-SD 4.27Å; Y38-M395 WeakPolarHBondContact OH-CE 3.44Å; Y38-M395 PolarHBondContact OH-SD 2.84Å; M395-E398 PolarHBondContact O-N 3.23Å; M395-A399 VanDerWaalsContact O-CB 3.25Å; M395-A399 WeakPolarHBondContact O-CB 3.44Å; M395-A399 PolarHBondContact O-N 3.41Å |
| 396 | E | 66.4 | Low | 51.9 | Low | 145 Ų | 145 | 99.9 Ų | 99.9 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -38.2 | 174.1 | -63.5 | 164.9 | 172.7 | 0 | 0 | 112.1 | T394 S400 | T394-E396 PolarHBondContact O-N 3.41Å; T394-E396 VanDerWaalsContact O-N 3.11Å; E396-S400 PolarHBondContact O-N 2.81Å; E396-S400 VanDerWaalsContact O-N 3.12Å |
| 397 | M | 63.4 | Low | 53 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 173.8 | -74.1 | 173.2 | 72.3 | 0 | 0 | 111.5 | I393 T394 S400 L405 | I393-M397 HydrophobicContact CG2-CB 3.8Å; T394-M397 HydrophobicContact CG2-SD 4.46Å; T394-M397 WeakPolarHBondContact O-CA 3.2Å; T394-M397 WeakPolarHBondContact O-CB 3.38Å; T394-M397 PolarHBondContact O-N 3.18Å; T394-M397 WeakPolarHBondContact OG1-CG 3.44Å; T394-M397 PolarHBondContact OG1-N 3.13Å; M397-S400 WeakPolarHBondContact O-CB 3.25Å; M397-S400 PolarHBondContact O-N 2.85Å; M397-S400 PolarHBondContact O-OG 2.72Å; M397-L405 HydrophobicContact CB-CD1 4.44Å; M397-L405 WeakPolarHBondContact O-CD1 3.32Å |
| 398 | E | 62 | Low | 54.5 | Low | 69 Ų | 69 | 99.8 Ų | 99.8 | 32% | 0.322 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.5 | -32.8 | 176.1 | -163.4 | 177 | -178.8 | 0 | 0 | 112.5 | I37 I393 T394 M395 S400 | I37-E398 HydrophobicContact CG2-CG 4.37Å; I393-E398 HydrophobicContact CG2-CB 4.01Å; T394-E398 PolarHBondContact O-N 3.22Å; M395-E398 PolarHBondContact O-N 3.23Å; E398-S400 PolarHBondContact O-N 3Å |
| 399 | A | 62.2 | Low | 56.7 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -25.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F34 I37 M395 | F34-A399 HydrophobicContact CD1-CB 4.34Å; F34-A399 HydrophobicContact CE1-CB 4.32Å; I37-A399 HydrophobicContact CD1-CB 3.49Å; I37-A399 VanDerWaalsContact CD1-CB 3.49Å; M395-A399 VanDerWaalsContact O-CB 3.25Å; M395-A399 WeakPolarHBondContact O-CB 3.44Å; M395-A399 PolarHBondContact O-N 3.41Å |
| 400 | S | 66 | Low | 59.3 | Low | 57 Ų | 57 | 91.4 Ų | 91.4 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -75.4 | 125.7 | 172.2 | 79.3 | 0 | 0 | 0 | 0 | 109 | E396 M397 E398 N402 | E396-S400 PolarHBondContact O-N 2.81Å; E396-S400 VanDerWaalsContact O-N 3.12Å; M397-S400 WeakPolarHBondContact O-CB 3.25Å; M397-S400 PolarHBondContact O-N 2.85Å; M397-S400 PolarHBondContact O-OG 2.72Å; E398-S400 PolarHBondContact O-N 3Å; S400-N402 PolarHBondContact O-N 3.47Å |
| 401 | D | 60.2 | Low | 61.8 | Low | 141 Ų | 141 | 88.8 Ų | 88.8 | 75% | 0.754 | 48% | 0.484 | S | S | * | . | trans | -67.3 | 55.2 | 179.8 | -85.3 | -36.7 | 0 | 0 | 0 | 112.6 | P403 | D401-P403 WeakPolarHBondContact O-CD 3.39Š| ||
| 402 | N | 64.6 | Low | 64.5 | Low | 63 Ų | 63 | 84.8 Ų | 84.8 | 34% | 0.337 | 45% | 0.45 | S | S | . | . | trans | -81.8 | 116.9 | -177.7 | -167.6 | -22.7 | 0 | 0 | 0 | 109.5 | S400 I404 L405 | S400-N402 PolarHBondContact O-N 3.47Å; N402-I404 PolarHBondContact O-N 3.44Å; N402-I404 PolarHBondContact OD1-N 3.24Å; N402-L405 HydrophobicContact CB-CD1 3.99Å; N402-L405 HydrophobicContact CB-CG 4.15Å; N402-L405 PolarHBondContact O-N 3.45Å | ||
| 403 | P | 59.1 | Low | 66.9 | Low | 101 Ų | 101 | 80.3 Ų | 80.3 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.9 | -175.9 | -24.2 | 33.1 | 0 | 0 | 0 | 114.3 | D401 L405 K406 | D401-P403 WeakPolarHBondContact O-CD 3.39Å; P403-L405 VanDerWaalsContact C-N 3.27Å; P403-L405 PolarHBondContact O-N 3.39Å; P403-K406 PolarHBondContact O-N 3.16Å |
| 404 | I | 60.1 | Low | 68.9 | Low | 140 Ų | 140 | 77.7 Ų | 77.7 | 72% | 0.718 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -30.4 | 179.7 | -59.6 | 170.5 | 0 | 0 | 0 | 111 | N402 | N402-I404 PolarHBondContact O-N 3.44Å; N402-I404 PolarHBondContact OD1-N 3.24Å |
| 405 | L | 55.7 | Low | 70.6 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -81.2 | -21.3 | -177.5 | -62 | 177.6 | 0 | 0 | 0 | 113.3 | I393 M397 N402 P403 R407 N408 | I393-L405 HydrophobicContact CD1-CD2 3.67Å; I393-L405 HydrophobicContact CG1-CD2 3.92Å; I393-L405 HydrophobicContact CG2-CD1 4.05Å; I393-L405 HydrophobicContact CG2-CD2 4.14Å; M397-L405 HydrophobicContact CB-CD1 4.44Å; M397-L405 WeakPolarHBondContact O-CD1 3.32Å; N402-L405 HydrophobicContact CB-CD1 3.99Å; N402-L405 HydrophobicContact CB-CG 4.15Å; N402-L405 PolarHBondContact O-N 3.45Å; P403-L405 VanDerWaalsContact C-N 3.27Å; P403-L405 PolarHBondContact O-N 3.39Å; L405-R407 PolarHBondContact O-N 3.05Å; L405-N408 PolarHBondContact O-N 3.24Å |
| 406 | K | 50.5 | Low | 72.3 | Confident | 131 Ų | 131 | 70.8 Ų | 70.8 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -58.2 | -18.2 | 178.1 | -70.7 | -167.1 | 174.6 | -171.2 | 0 | 114.1 | P403 N408 D409 | P403-K406 PolarHBondContact O-N 3.16Å; K406-N408 PolarHBondContact O-N 3.2Å; K406-D409 PolarHBondContact O-N 3.22Å |
| 407 | R | 51.8 | Low | 73.8 | Confident | 235 Ų | 235 | 64 Ų | 64 | 89% | 0.887 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -63.8 | -16.4 | 174.1 | -125.3 | -178.6 | -175.1 | -178.9 | 0.6 | 113.3 | L405 | L405-R407 PolarHBondContact O-N 3.05Š|
| 408 | N | 61.3 | Low | 75.4 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -111.3 | 30.5 | 178.9 | -69.4 | -5.1 | 0 | 0 | 0 | 112.2 | L405 K406 P410 | L405-N408 PolarHBondContact O-N 3.24Å; K406-N408 PolarHBondContact O-N 3.2Å; N408-P410 WeakPolarHBondContact O-CD 3.43Å |
| 409 | D | 73.9 | Confident | 77.1 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -56.2 | 126.3 | 173.7 | -83.6 | -19.8 | 0 | 0 | 0 | 109.4 | K406 | K406-D409 PolarHBondContact O-N 3.22Š| ||
| 410 | P | 85.1 | Confident | 78.6 | Confident | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | trans | -64.8 | 138.6 | -178.2 | 23.7 | -32.4 | 0 | 0 | 0 | 110.7 | R40 V376 N408 P412 | R40-P410 HydrophobicContact CB-CG 3.56Å; R40-P410 WeakPolarHBondContact O-CG 3.07Å; V376-P410 HydrophobicContact CG1-CB 4.47Å; N408-P410 WeakPolarHBondContact O-CD 3.43Å; P410-P412 VanDerWaalsContact C-CD 3.44Å; P410-P412 WeakPolarHBondContact O-CD 3.5Å | ||
| 411 | D | 90.1 | Very high | 80 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | trans | -106.3 | 78.9 | 173.1 | 173.1 | 33.5 | 0 | 0 | 0 | 109.2 | K83 H85 N86 S375 | K83-D411 WeakPolarHBondContact CE-OD2 3.48Å; K83-D411 PolarHBondContact NZ-O 2.8Å; K83-D411 IonicContact NZ-OD2 3.81Å; K83-D411 PolarHBondContact NZ-OD2 2.87Å; K83-D411 VanDerWaalsContact NZ-OD2 3.15Å; H85-D411 VanDerWaalsContact CA-OD2 3.32Å; H85-D411 WeakPolarHBondContact CA-OD2 3.36Å; N86-D411 PolarHBondContact N-OD2 3.3Å; S375-D411 WeakPolarHBondContact CA-O 3.46Å; S375-D411 PolarHBondContact O-N 3.02Å | ||
| 412 | P | 94.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -74 | 139.9 | -175.7 | 34.6 | -39.9 | 0 | 0 | 0 | 111.6 | R40 S41 I42 P43 P410 N429 | R40-P412 WeakPolarHBondContact O-CG 3.27Å; S41-P412 WeakPolarHBondContact O-CB 3.5Å; I42-P412 VanDerWaalsContact C-CB 3.45Å; P43-P412 HydrophobicContact CG-CB 4.18Å; P410-P412 VanDerWaalsContact C-CD 3.44Å; P410-P412 WeakPolarHBondContact O-CD 3.5Å; P412-N429 WeakPolarHBondContact CD-ND2 3.31Å; P412-N429 WeakPolarHBondContact CG-ND2 3.21Å | ||
| 413 | M | 96.6 | Very high | 83.2 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134.3 | 177.3 | -179.8 | -174.8 | -66.8 | 0 | 0 | 110.9 | I69 K83 I89 C373 L426 F427 T428 | I69-M413 HydrophobicContact CD1-SD 4.03Å; K83-M413 HydrophobicContact CD-CE 4.49Å; K83-M413 HydrophobicContact CD-SD 4.38Å; K83-M413 HydrophobicContact CG-CE 4.24Å; K83-M413 HydrophobicContact CG-SD 4.35Å; I89-M413 HydrophobicContact CG2-CE 3.95Å; I89-M413 HydrophobicContact CG2-SD 3.74Å; C373-M413 HydrophobicContact CB-CB 4.03Å; C373-M413 WeakPolarHBondContact CB-O 3.47Å; C373-M413 PolarHBondContact N-O 3.06Å; M413-L426 HydrophobicContact SD-CD1 4.46Å; M413-L426 HydrophobicContact SD-CD2 4.23Å; M413-F427 CarbonylContact C-O 3.55Å; M413-F427 VanDerWaalsContact CA-O 3.29Å; M413-F427 WeakPolarHBondContact CA-O 3.48Å; M413-T428 HydrophobicContact CB-CG2 4.5Å; M413-T428 HydrophobicContact CE-CG2 4.15Å; M413-T428 HydrophobicContact CG-CG2 4.26Å |
| 414 | I | 98.1 | Very high | 85 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.6 | 167.9 | -71.3 | 165 | 0 | 0 | 0 | 108.5 | I42 P43 I338 I345 L359 I370 A371 L372 L426 F427 | I42-I414 HydrophobicContact CG2-CD1 4.41Å; P43-I414 HydrophobicContact CG-CB 4.16Å; P43-I414 HydrophobicContact CG-CD1 3.94Å; P43-I414 HydrophobicContact CG-CG1 3.81Å; I338-I414 HydrophobicContact CD1-CD1 4.22Å; I338-I414 HydrophobicContact CG2-CD1 4.01Å; I345-I414 HydrophobicContact CD1-CG2 4.33Å; L359-I414 HydrophobicContact CD1-CD1 3.68Å; I370-I414 HydrophobicContact CB-CG2 4.42Å; A371-I414 WeakPolarHBondContact O-CA 3.21Å; L372-I414 HydrophobicContact CD1-CD1 4.21Å; L372-I414 HydrophobicContact CD1-CG1 3.55Å; I414-L426 WeakPolarHBondContact O-CA 3.32Å; I414-F427 HydrophobicContact CB-CB 4.24Å; I414-F427 PolarHBondContact N-O 3.03Å; I414-F427 PolarHBondContact O-N 3.07Å |
| 415 | V | 98.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.2 | 171.8 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | V61 I69 I370 A371 F424 Y425 L426 | V61-V415 HydrophobicContact CB-CG1 3.97Å; V61-V415 HydrophobicContact CG1-CG1 4.02Å; V61-V415 HydrophobicContact CG2-CG1 4.43Å; I69-V415 HydrophobicContact CD1-CG2 3.81Å; I69-V415 HydrophobicContact CG1-CG2 4.09Å; I69-V415 HydrophobicContact CG2-CB 4.43Å; I69-V415 HydrophobicContact CG2-CG1 4.11Å; I69-V415 HydrophobicContact CG2-CG2 3.89Å; I370-V415 CarbonylContact C-O 3.54Å; I370-V415 VanDerWaalsContact CA-O 3.3Å; I370-V415 WeakPolarHBondContact CA-O 3.35Å; A371-V415 PolarHBondContact N-O 3.16Å; A371-V415 PolarHBondContact O-N 3.01Å; V415-F424 HydrophobicContact CG1-CD2 3.69Å; V415-F424 HydrophobicContact CG1-CE2 4.31Å; V415-F424 HydrophobicContact CG1-CG 4.45Å; V415-Y425 CarbonylContact C-O 3.22Å; V415-Y425 WeakPolarHBondContact CA-O 3.11Å; V415-L426 HydrophobicContact CB-CD2 4.33Å; V415-L426 HydrophobicContact CG1-CD2 4.14Å; V415-L426 HydrophobicContact CG2-CD2 3.77Å |
| 416 | S | 98.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | F367 C369 I370 F424 Y425 | F367-S416 WeakPolarHBondContact CB-OG 3.38Å; F367-S416 VanDerWaalsContact CD1-OG 3.23Å; F367-S416 WeakPolarHBondContact CD1-OG 3.37Å; C369-S416 CarbonylContact O-C 3.4Å; C369-S416 VanDerWaalsContact O-CA 3.3Å; C369-S416 WeakPolarHBondContact O-CA 3.49Å; I370-S416 WeakPolarHBondContact CG2-OG 3.13Å; S416-F424 CarbonylContact O-C 3.58Å; S416-F424 WeakPolarHBondContact O-CA 3.49Å; S416-F424 WeakPolarHBondContact O-CB 3.44Å; S416-Y425 PolarHBondContact N-O 3.4Å; S416-Y425 WeakPolarHBondContact O-CD2 3.49Å; S416-Y425 PolarHBondContact O-N 3.29Å |
| 417 | S | 98.1 | Very high | 91 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 166.5 | 162.5 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | V58 F367 L368 C369 | V58-S417 WeakPolarHBondContact O-CB 3.32Å; F367-S417 CarbonylContact C-O 3.48Å; F367-S417 VanDerWaalsContact CA-O 3.26Å; F367-S417 WeakPolarHBondContact CA-O 3.3Å; L368-S417 PolarHBondContact N-O 3Å; C369-S417 WeakPolarHBondContact CA-OG 3.38Å; C369-S417 WeakPolarHBondContact CB-OG 3.35Å; C369-S417 PolarHBondContact N-OG 3.04Å; C369-S417 PolarHBondContact O-N 2.97Å; C369-S417 PolarHBondContact O-OG 3.1Å |
| 418 | A | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V365 R366 F367 K420 K421 Y425 | V365-A418 HydrophobicContact CB-CB 4.21Å; V365-A418 HydrophobicContact CG1-CB 4.41Å; R366-A418 CarbonylContact O-C 3.26Å; R366-A418 VanDerWaalsContact O-CA 3.28Å; R366-A418 WeakPolarHBondContact O-CA 3.36Å; R366-A418 WeakPolarHBondContact O-CB 3.39Å; F367-A418 HydrophobicContact CD1-CB 4.21Å; A418-K420 PolarHBondContact O-N 2.93Å; A418-K421 HydrophobicContact CB-CB 4.07Å; A418-K421 HydrophobicContact CB-CG 3.82Å; A418-K421 PolarHBondContact O-N 2.94Å; A418-K421 VanDerWaalsContact O-N 3.1Å; A418-Y425 HydrophobicContact CB-CD2 4.2Å; A418-Y425 HydrophobicContact CB-CE2 3.54Å |
| 419 | Y | 97.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 124.3 | -179.7 | -178.6 | -120 | 0 | 0 | 0 | 111.9 | I312 E315 L316 R366 L368 K421 | I312-Y419 HydrophobicContact CG2-CD1 3.98Å; E315-Y419 HydrophobicContact CB-CE1 4.49Å; E315-Y419 HydrophobicContact CG-CE1 4.3Å; L316-Y419 HydrophobicContact CB-CE1 4.48Å; L316-Y419 HydrophobicContact CB-CE2 4.46Å; L316-Y419 HydrophobicContact CD1-CD2 3.5Å; L316-Y419 HydrophobicContact CD1-CE2 3.77Å; L316-Y419 HydrophobicContact CD1-CG 4.06Å; R366-Y419 PolarHBondContact O-N 2.86Å; L368-Y419 HydrophobicContact CD1-CD2 4.23Å; Y419-K421 PolarHBondContact O-N 3.24Å |
| 420 | K | 94.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 24 Ų | 24 | 50% | 0.496 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 26.9 | -177.9 | -64 | -176.2 | 168.6 | -175.1 | 0 | 114.5 | E315 A418 | E315-K420 IonicContact OE1-NZ 2.77Å; E315-K420 PolarHBondContact OE1-NZ 2.94Å; A418-K420 PolarHBondContact O-N 2.93Å |
| 421 | K | 95.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 27.2 Ų | 27.2 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | trans | -109.7 | 130.4 | 176.3 | -60.8 | -59.2 | -176.2 | -178.2 | 0 | 110.6 | V57 V58 V365 A418 Y419 R423 Y425 | V57-K421 WeakPolarHBondContact CA-O 3.32Å; V58-K421 PolarHBondContact N-O 3.43Å; V365-K421 HydrophobicContact CG1-CD 4.35Å; V365-K421 HydrophobicContact CG1-CG 4.11Å; A418-K421 HydrophobicContact CB-CB 4.07Å; A418-K421 HydrophobicContact CB-CG 3.82Å; A418-K421 PolarHBondContact O-N 2.94Å; A418-K421 VanDerWaalsContact O-N 3.1Å; Y419-K421 PolarHBondContact O-N 3.24Å; K421-R423 PolarHBondContact O-N 3.14Å; K421-Y425 HydrophobicContact CB-CE2 4.35Å; K421-Y425 WeakPolarHBondContact CG-OH 3.41Å | ||
| 422 | N | 95.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 27.5 Ų | 27.5 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -81.5 | 25.6 | 167.8 | 65.7 | -25 | 0 | 0 | 0 | 112.1 | M53 H54 D56 | M53-N422 WeakPolarHBondContact CA-O 3.41Å; M53-N422 WeakPolarHBondContact CE-ND2 3.31Å; H54-N422 PolarHBondContact N-O 2.83Å; D56-N422 VanDerWaalsContact O-CA 3.26Å; D56-N422 WeakPolarHBondContact O-CA 3.32Å; D56-N422 VanDerWaalsContact O-CB 3.29Å; D56-N422 WeakPolarHBondContact O-CB 3.4Å |
| 423 | R | 95.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.2 | -178.1 | -73 | 176.8 | 171 | -85.7 | 2.8 | 110.4 | S51 F52 M53 K421 Y425 V444 | S51-R423 PolarHBondContact OG-NH1 2.92Å; F52-R423 CarbonylContact O-C 3.54Å; F52-R423 WeakPolarHBondContact O-CA 3.38Å; F52-R423 WeakPolarHBondContact O-CB 3.16Å; M53-R423 HydrophobicContact CG-CG 3.89Å; M53-R423 PolarHBondContact SD-NH2 2.83Å; K421-R423 PolarHBondContact O-N 3.14Å; R423-Y425 HydrophobicContact CB-CE2 4.36Å; R423-Y425 WeakPolarHBondContact O-CE2 3.44Å; R423-V444 PolarHBondContact NH1-O 3.33Å |
| 424 | F | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 156.2 | 163 | 69.3 | -88.8 | 0 | 0 | 0 | 110.2 | S51 F52 V58 V61 T71 W81 I89 V415 S416 L426 | S51-F424 CarbonylContact C-O 3.49Å; S51-F424 WeakPolarHBondContact CA-O 3.46Å; S51-F424 WeakPolarHBondContact CB-O 3.43Å; F52-F424 HydrophobicContact CB-CD1 4.09Å; F52-F424 HydrophobicContact CB-CE1 3.42Å; F52-F424 VanDerWaalsContact CB-CE1 3.42Å; F52-F424 HydrophobicContact CB-CE2 4.06Å; F52-F424 HydrophobicContact CB-CZ 3.41Å; F52-F424 VanDerWaalsContact CB-CZ 3.41Å; F52-F424 AromaticContact CD2-CE2 3.88Å; F52-F424 HydrophobicContact CD2-CE2 3.88Å; F52-F424 AromaticContact CD2-CZ 3.93Å; F52-F424 HydrophobicContact CD2-CZ 3.93Å; F52-F424 HydrophobicContact CG-CE1 4.35Å; F52-F424 HydrophobicContact CG-CE2 4.29Å; F52-F424 AromaticContact CG-CZ 3.86Å; F52-F424 HydrophobicContact CG-CZ 3.86Å; F52-F424 PolarHBondContact N-O 3.15Å; F52-F424 PolarHBondContact O-N 2.68Å; V58-F424 HydrophobicContact CG1-CB 4.34Å; V61-F424 HydrophobicContact CG1-CB 4.17Å; T71-F424 HydrophobicContact CG2-CD1 3.85Å; T71-F424 HydrophobicContact CG2-CD2 4.19Å; T71-F424 HydrophobicContact CG2-CE1 3.89Å; T71-F424 HydrophobicContact CG2-CE2 4.23Å; T71-F424 HydrophobicContact CG2-CG 3.98Å; T71-F424 HydrophobicContact CG2-CZ 4.06Å; W81-F424 AromaticContact CD2-CZ 3.97Å; W81-F424 HydrophobicContact CD2-CZ 3.97Å; W81-F424 AromaticContact CE2-CE1 3.73Å; W81-F424 AromaticContact CE2-CZ 3.48Å; W81-F424 VanDerWaalsContact CE2-CZ 3.48Å; W81-F424 HydrophobicContact CE3-CZ 4.39Å; W81-F424 HydrophobicContact CH2-CE1 4.13Å; W81-F424 HydrophobicContact CH2-CZ 4.01Å; W81-F424 AromaticContact CZ2-CE1 3.45Å; W81-F424 HydrophobicContact CZ2-CE1 3.45Å; W81-F424 VanDerWaalsContact CZ2-CE1 3.45Å; W81-F424 AromaticContact CZ2-CZ 3.54Å; W81-F424 HydrophobicContact CZ2-CZ 3.54Å; W81-F424 HydrophobicContact CZ3-CZ 4.4Å; W81-F424 AromaticContact NE1-CE1 3.9Å; W81-F424 AromaticContact NE1-CZ 3.75Å; I89-F424 HydrophobicContact CD1-CE2 3.79Å; I89-F424 HydrophobicContact CD1-CZ 3.97Å; V415-F424 HydrophobicContact CG1-CD2 3.69Å; V415-F424 HydrophobicContact CG1-CE2 4.31Å; V415-F424 HydrophobicContact CG1-CG 4.45Å; S416-F424 CarbonylContact O-C 3.58Å; S416-F424 WeakPolarHBondContact O-CA 3.49Å; S416-F424 WeakPolarHBondContact O-CB 3.44Å; F424-L426 HydrophobicContact CD2-CD2 4.15Å; F424-L426 HydrophobicContact CE2-CD2 4.02Å |
| 425 | Y | 97.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.3 | -165.9 | -56.3 | -89.3 | 0 | 0 | 0 | 110.1 | Y48 F367 V415 S416 A418 K421 R423 | Y48-Y425 AromaticContact CD1-CD1 3.66Å; Y48-Y425 HydrophobicContact CD1-CD1 3.66Å; Y48-Y425 HydrophobicContact CD1-CE1 4.32Å; Y48-Y425 HydrophobicContact CD1-CG 4.43Å; Y48-Y425 AromaticContact CD2-CD1 3.8Å; Y48-Y425 HydrophobicContact CD2-CD1 3.8Å; Y48-Y425 AromaticContact CE1-CD1 3.68Å; Y48-Y425 HydrophobicContact CE1-CD1 3.68Å; Y48-Y425 AromaticContact CE1-CE1 3.88Å; Y48-Y425 HydrophobicContact CE1-CE1 3.88Å; Y48-Y425 AromaticContact CE2-CD1 3.82Å; Y48-Y425 HydrophobicContact CE2-CD1 3.82Å; Y48-Y425 HydrophobicContact CE2-CE1 4.22Å; Y48-Y425 AromaticContact CG-CD1 3.74Å; Y48-Y425 HydrophobicContact CG-CD1 3.74Å; Y48-Y425 HydrophobicContact CG-CG 4.41Å; Y48-Y425 AromaticContact CZ-CD1 3.78Å; Y48-Y425 AromaticContact CZ-CE1 3.86Å; F367-Y425 HydrophobicContact CD1-CD2 4.19Å; F367-Y425 HydrophobicContact CE1-CD1 4.44Å; F367-Y425 AromaticContact CE1-CD2 3.76Å; F367-Y425 HydrophobicContact CE1-CD2 3.76Å; F367-Y425 HydrophobicContact CE1-CE2 4.37Å; F367-Y425 AromaticContact CE1-CG 3.82Å; F367-Y425 HydrophobicContact CE1-CG 3.82Å; V415-Y425 CarbonylContact C-O 3.22Å; V415-Y425 WeakPolarHBondContact CA-O 3.11Å; S416-Y425 PolarHBondContact N-O 3.4Å; S416-Y425 WeakPolarHBondContact O-CD2 3.49Å; S416-Y425 PolarHBondContact O-N 3.29Å; A418-Y425 HydrophobicContact CB-CD2 4.2Å; A418-Y425 HydrophobicContact CB-CE2 3.54Å; K421-Y425 HydrophobicContact CB-CE2 4.35Å; K421-Y425 WeakPolarHBondContact CG-OH 3.41Å; R423-Y425 HydrophobicContact CB-CE2 4.36Å; R423-Y425 WeakPolarHBondContact O-CE2 3.44Å |
| 426 | L | 97 | Very high | 86.7 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.9 | 177.8 | -55.9 | -172.4 | 0 | 0 | 0 | 110.1 | Y48 E49 K50 F52 I89 M413 I414 V415 F424 | Y48-L426 CarbonylContact C-O 3.59Å; Y48-L426 WeakPolarHBondContact CA-O 3.4Å; Y48-L426 WeakPolarHBondContact CB-O 3.46Å; E49-L426 PolarHBondContact N-O 3.49Å; K50-L426 HydrophobicContact CB-CD1 4.4Å; K50-L426 PolarHBondContact O-N 3.42Å; F52-L426 HydrophobicContact CD2-CD1 4.29Å; F52-L426 HydrophobicContact CD2-CG 4.5Å; F52-L426 HydrophobicContact CE2-CD1 3.66Å; F52-L426 HydrophobicContact CE2-CG 4.3Å; I89-L426 HydrophobicContact CD1-CD1 3.84Å; I89-L426 HydrophobicContact CD1-CD2 4.34Å; I89-L426 HydrophobicContact CG1-CD1 3.91Å; I89-L426 HydrophobicContact CG2-CD1 4.07Å; M413-L426 HydrophobicContact SD-CD1 4.46Å; M413-L426 HydrophobicContact SD-CD2 4.23Å; I414-L426 WeakPolarHBondContact O-CA 3.32Å; V415-L426 HydrophobicContact CB-CD2 4.33Å; V415-L426 HydrophobicContact CG1-CD2 4.14Å; V415-L426 HydrophobicContact CG2-CD2 3.77Å; F424-L426 HydrophobicContact CD2-CD2 4.15Å; F424-L426 HydrophobicContact CE2-CD2 4.02Å |
| 427 | F | 97.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.7 | 168.7 | -69.3 | -88.9 | 0 | 0 | 0 | 109.3 | P43 I345 L359 F367 M413 I414 | P43-F427 HydrophobicContact CB-CB 4.2Å; P43-F427 HydrophobicContact CG-CB 4.45Å; P43-F427 VanDerWaalsContact CG-O 3.28Å; P43-F427 WeakPolarHBondContact CG-O 3.41Å; I345-F427 HydrophobicContact CD1-CD2 3.93Å; I345-F427 HydrophobicContact CD1-CE2 3.61Å; I345-F427 HydrophobicContact CD1-CZ 4.25Å; L359-F427 HydrophobicContact CB-CD1 3.85Å; L359-F427 HydrophobicContact CB-CE1 4.02Å; L359-F427 HydrophobicContact CB-CG 4.39Å; L359-F427 HydrophobicContact CD1-CB 4.27Å; L359-F427 HydrophobicContact CD1-CG 4.47Å; F367-F427 HydrophobicContact CD1-CE2 4.35Å; F367-F427 HydrophobicContact CD2-CZ 4.48Å; F367-F427 AromaticContact CE1-CE2 3.87Å; F367-F427 HydrophobicContact CE1-CE2 3.87Å; F367-F427 AromaticContact CE1-CZ 3.97Å; F367-F427 HydrophobicContact CE1-CZ 3.97Å; F367-F427 HydrophobicContact CE2-CE2 4.25Å; F367-F427 AromaticContact CE2-CZ 3.72Å; F367-F427 HydrophobicContact CE2-CZ 3.72Å; F367-F427 AromaticContact CZ-CE2 3.83Å; F367-F427 HydrophobicContact CZ-CE2 3.83Å; F367-F427 AromaticContact CZ-CZ 3.43Å; F367-F427 HydrophobicContact CZ-CZ 3.43Å; F367-F427 VanDerWaalsContact CZ-CZ 3.43Å; M413-F427 CarbonylContact C-O 3.55Å; M413-F427 VanDerWaalsContact CA-O 3.29Å; M413-F427 WeakPolarHBondContact CA-O 3.48Å; I414-F427 HydrophobicContact CB-CB 4.24Å; I414-F427 PolarHBondContact N-O 3.03Å; I414-F427 PolarHBondContact O-N 3.07Å |
| 428 | T | 95 | Very high | 81.7 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | trans | -133.7 | -162.5 | 179.4 | 67.8 | 0 | 0 | 0 | 0 | 109.1 | P43 S44 A45 E49 M413 S430 | P43-T428 WeakPolarHBondContact CB-O 3.38Å; S44-T428 PolarHBondContact N-O 3.37Å; A45-T428 WeakPolarHBondContact CB-O 3.46Å; A45-T428 PolarHBondContact N-O 3.43Å; A45-T428 VanDerWaalsContact N-O 3.08Å; E49-T428 WeakPolarHBondContact OE2-CB 3.41Å; E49-T428 WeakPolarHBondContact OE2-CG2 3.34Å; E49-T428 PolarHBondContact OE2-OG1 3.36Å; M413-T428 HydrophobicContact CB-CG2 4.5Å; M413-T428 HydrophobicContact CE-CG2 4.15Å; M413-T428 HydrophobicContact CG-CG2 4.26Å; T428-S430 VanDerWaalsContact C-N 3.3Å; T428-S430 PolarHBondContact OG1-N 3.03Å; T428-S430 VanDerWaalsContact OG1-N 3.07Å | ||
| 429 | N | 91.5 | Very high | 79.4 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84.1 | -6.5 | 169.6 | -68.3 | -24.2 | 0 | 0 | 0 | 113.1 | S44 P412 | S44-N429 PolarHBondContact N-OD1 3.46Å; S44-N429 VanDerWaalsContact N-OD1 3.09Å; S44-N429 PolarHBondContact OG-OD1 3.32Å; S44-N429 VanDerWaalsContact OG-OD1 3.1Å; P412-N429 WeakPolarHBondContact CD-ND2 3.31Å; P412-N429 WeakPolarHBondContact CG-ND2 3.21Å |
| 430 | S | 88 | Confident | 77.4 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -96.4 | 126.3 | -177.6 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | A45 T428 | A45-S430 WeakPolarHBondContact CB-O 3.43Å; T428-S430 VanDerWaalsContact C-N 3.3Å; T428-S430 PolarHBondContact OG1-N 3.03Å; T428-S430 VanDerWaalsContact OG1-N 3.07Å |
| 431 | E | 86.2 | Confident | 76.2 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 149.6 | 165.6 | -64.6 | -70.8 | -174 | 0 | 0 | 109.6 | A45 N46 A47 | A45-E431 HydrophobicContact CB-CG 4.44Å; N46-E431 WeakPolarHBondContact CB-OE1 3.32Å; N46-E431 PolarHBondContact N-OE1 3.07Å; N46-E431 PolarHBondContact N-OE2 2.68Å; N46-E431 PolarHBondContact ND2-OE1 3.42Å; A47-E431 WeakPolarHBondContact CB-OE2 3.5Å; A47-E431 PolarHBondContact N-OE2 2.73Å; A47-E431 VanDerWaalsContact N-OE2 3.08Å |
| 432 | P | 81.6 | Confident | 75.7 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 146.4 | -179.9 | 27.6 | -35.6 | 0 | 0 | 0 | 111.6 | A47 T434 R442 | A47-P432 HydrophobicContact CB-CG 3.86Å; P432-T434 PolarHBondContact O-N 3.15Å; P432-R442 HydrophobicContact CB-CG 3.88Å |
| 433 | F | 67.4 | Low | 75.5 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.1 | 173.3 | -66.5 | -79.2 | 0 | 0 | 0 | 110.7 | N440 | F433-N440 HydrophobicContact CB-CB 4.15Å; F433-N440 HydrophobicContact CD2-CB 3.99Å; F433-N440 HydrophobicContact CG-CB 4.13Å |
| 434 | T | 56.3 | Low | 75.1 | Confident | 149 Ų | 149 | 67.8 Ų | 67.8 | 91% | 0.914 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -80.4 | -23.3 | 179.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | P432 | P432-T434 PolarHBondContact O-N 3.15Š|
| 435 | S | 48.7 | Very low | 74.4 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -105.3 | 108.5 | 178 | 40.3 | 0 | 0 | 0 | 0 | 110.6 | T437 | S435-T437 VanDerWaalsContact C-N 3.34Å; S435-T437 PolarHBondContact O-N 2.8Å |
| 436 | A | 43.3 | Very low | 73.8 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 74% | 0.744 | 42% | 0.416 | S | S | * | . | trans | -67.4 | 89.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 437 | T | 46.3 | Very low | 73 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | trans | -80.4 | 154.2 | 153.4 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | S435 D439 N440 | S435-T437 VanDerWaalsContact C-N 3.34Å; S435-T437 PolarHBondContact O-N 2.8Å; T437-D439 PolarHBondContact O-N 2.98Å; T437-N440 PolarHBondContact O-N 3.38Å; T437-N440 WeakPolarHBondContact OG1-CB 3.46Å; T437-N440 PolarHBondContact OG1-ND2 3.38Å | ||
| 438 | Q | 46.2 | Very low | 71.7 | Confident | 185 Ų | 185 | 85.3 Ų | 85.3 | 86% | 0.864 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -31.3 | -178.5 | -91.2 | 178.7 | -19.9 | 0 | 0 | 113.9 | ||
| 439 | D | 47.8 | Very low | 70.1 | Confident | 150 Ų | 150 | 88.9 Ų | 88.9 | 80% | 0.802 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.3 | 179.4 | -64 | -36.3 | 0 | 0 | 0 | 115 | T437 | T437-D439 PolarHBondContact O-N 2.98Š|
| 440 | N | 55.3 | Low | 68.4 | Low | 53 Ų | 53 | 90.4 Ų | 90.4 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | trans | -116.7 | 32.5 | -173 | -71.1 | -33.2 | 0 | 0 | 0 | 112.9 | F433 T437 R442 | F433-N440 HydrophobicContact CB-CB 4.15Å; F433-N440 HydrophobicContact CD2-CB 3.99Å; F433-N440 HydrophobicContact CG-CB 4.13Å; T437-N440 PolarHBondContact O-N 3.38Å; T437-N440 WeakPolarHBondContact OG1-CB 3.46Å; T437-N440 PolarHBondContact OG1-ND2 3.38Å; N440-R442 PolarHBondContact O-N 3.04Å | ||
| 441 | E | 70.8 | Confident | 66.7 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | trans | -69.6 | 114.9 | 174.2 | -70.3 | -172 | 171.8 | 0 | 0 | 110.9 | D443 | E441-D443 VanDerWaalsContact C-N 3.26Å; E441-D443 PolarHBondContact O-N 3.11Å | ||
| 442 | R | 85.6 | Confident | 65.2 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 24% | 0.238 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -54.1 | -43.2 | 172.4 | -172.7 | -170.9 | -171.8 | -163.9 | -2.2 | 112 | Y48 E49 K50 S51 E363 P432 N440 | Y48-R442 HydrophobicContact CD2-CG 4.33Å; Y48-R442 HydrophobicContact CE2-CG 3.84Å; Y48-R442 VanDerWaalsContact CE2-CZ 3.44Å; Y48-R442 VanDerWaalsContact CG-NH2 3.34Å; Y48-R442 VanDerWaalsContact CZ-NH2 3.25Å; Y48-R442 PolarHBondContact O-NE 3.05Å; Y48-R442 PolarHBondContact O-NH2 3.13Å; E49-R442 WeakPolarHBondContact O-CG 3.38Å; K50-R442 CarbonylContact C-O 3.49Å; K50-R442 WeakPolarHBondContact CA-O 3.32Å; S51-R442 PolarHBondContact N-O 3.2Å; E363-R442 IonicContact OE1-CZ 3.92Å; E363-R442 IonicContact OE1-NH1 3.49Å; E363-R442 IonicContact OE1-NH2 2.78Å; E363-R442 PolarHBondContact OE1-NH2 3.39Å; E363-R442 IonicContact OE2-NH1 2.63Å; E363-R442 IonicContact OE2-NH2 3.14Å; P432-R442 HydrophobicContact CB-CG 3.88Å; N440-R442 PolarHBondContact O-N 3.04Å |
| 443 | D | 89.6 | Confident | 63.9 | Low | 62 Ų | 62 | 99.1 Ų | 99.1 | 33% | 0.332 | 52% | 0.516 | S | S | . | . | B | Isolated β-bridge | trans | -106.2 | 81.1 | -175.2 | -69.7 | -49.2 | 0 | 0 | 0 | 111.6 | Y48 S51 E441 L445 | Y48-D443 PolarHBondContact OH-OD1 2.85Å; S51-D443 WeakPolarHBondContact CB-OD1 3.44Å; S51-D443 PolarHBondContact OG-OD1 3.15Å; E441-D443 VanDerWaalsContact C-N 3.26Å; E441-D443 PolarHBondContact O-N 3.11Å; D443-L445 PolarHBondContact O-N 2.88Å |
| 444 | V | 87.3 | Confident | 63.1 | Low | 40 Ų | 40 | 98 Ų | 98 | 24% | 0.242 | 52% | 0.515 | C | S | . | . | trans | -59.3 | 131.8 | -174.4 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | S51 F52 R423 N446 | S51-V444 WeakPolarHBondContact O-CB 3.36Å; S51-V444 PolarHBondContact O-N 3.23Å; F52-V444 HydrophobicContact CD1-CB 3.93Å; F52-V444 HydrophobicContact CD1-CG1 4.04Å; F52-V444 HydrophobicContact CD1-CG2 4.35Å; F52-V444 HydrophobicContact CE1-CB 3.98Å; F52-V444 HydrophobicContact CE1-CG1 3.95Å; F52-V444 HydrophobicContact CE1-CG2 3.96Å; F52-V444 HydrophobicContact CZ-CG2 4.12Å; R423-V444 PolarHBondContact NH1-O 3.33Å; V444-N446 HydrophobicContact CG1-CB 4.33Å; V444-N446 PolarHBondContact O-N 3.47Å | ||
| 445 | L | 83.5 | Confident | 62.9 | Low | 116 Ų | 116 | 96.6 Ų | 96.6 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | trans | -95.4 | 72.1 | 175.2 | -65.6 | 175.5 | 0 | 0 | 0 | 111 | M53 D443 | M53-L445 HydrophobicContact SD-CD2 3.58Å; M53-L445 VanDerWaalsContact SD-CD2 3.58Å; D443-L445 PolarHBondContact O-N 2.88Å | ||
| 446 | N | 85.8 | Confident | 63 | Low | 56 Ų | 56 | 96.3 Ų | 96.3 | 30% | 0.299 | 50% | 0.496 | S | S | . | . | trans | -85.9 | -4 | -179.9 | 64.6 | -72.6 | 0 | 0 | 0 | 114.3 | M53 V444 | M53-N446 PolarHBondContact N-OD1 2.91Å; M53-N446 PolarHBondContact O-ND2 3.2Å; V444-N446 HydrophobicContact CG1-CB 4.33Å; V444-N446 PolarHBondContact O-N 3.47Å | ||
| 447 | E | 80.3 | Confident | 63 | Low | 26 Ų | 26 | 96.1 Ų | 96.1 | 12% | 0.121 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -111.4 | 146.1 | 175.3 | -76.1 | -68.8 | 160.6 | 0 | 0 | 110 | M53 R55 K79 | M53-E447 HydrophobicContact CB-CB 4.1Å; M53-E447 HydrophobicContact CB-CG 3.98Å; R55-E447 HydrophobicContact CG-CG 4.41Å; R55-E447 WeakPolarHBondContact CG-OE2 3.16Å; R55-E447 IonicContact NE-OE2 2.91Å; R55-E447 PolarHBondContact NE-OE2 3.07Å; K79-E447 WeakPolarHBondContact CE-OE1 3.35Å; K79-E447 IonicContact NZ-OE1 3.76Å; K79-E447 PolarHBondContact NZ-OE1 2.95Å |
| 448 | K | 70.2 | Confident | 62.5 | Low | 184 Ų | 184 | 98.8 Ų | 98.8 | 80% | 0.8 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 129.4 | 169.9 | -67.5 | -175.8 | -179.7 | -178.2 | 0 | 108.3 | ||
| 449 | P | 59.6 | Low | 62.1 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 146.1 | 175.9 | -25.4 | 33.2 | 0 | 0 | 0 | 111.3 | D453 L454 | P449-D453 HydrophobicContact CB-CB 4.34Å; P449-L454 HydrophobicContact CB-CD1 4.25Å; P449-L454 HydrophobicContact CB-CG 4.02Å |
| 450 | R | 56.9 | Low | 61.3 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 147.9 | 172.9 | -61.7 | -179 | 177 | -168.5 | -1.2 | 107.9 | R55 D56 E452 D453 L454 | R55-R450 PolarHBondContact O-NE 2.81Å; R55-R450 PolarHBondContact O-NH2 3.42Å; D56-R450 IonicContact OD2-NH2 3.79Å; D56-R450 PolarHBondContact OD2-NH2 3.36Å; R450-E452 HydrophobicContact CB-CB 4.45Å; R450-E452 PolarHBondContact O-N 3.05Å; R450-E452 VanDerWaalsContact O-N 3.12Å; R450-D453 HydrophobicContact CB-CB 4.4Å; R450-D453 VanDerWaalsContact CB-OD2 3.3Å; R450-D453 WeakPolarHBondContact CB-OD2 3.5Å; R450-D453 PolarHBondContact N-OD2 2.85Å; R450-D453 WeakPolarHBondContact O-CA 3.34Å; R450-D453 WeakPolarHBondContact O-CB 3.24Å; R450-D453 PolarHBondContact O-N 2.64Å; R450-L454 PolarHBondContact O-N 2.72Å |
| 451 | Q | 52.3 | Low | 60 | Low | 163 Ų | 163 | 102.5 Ų | 102.5 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.5 | -28.6 | 174.8 | -168.2 | 166.1 | 1.7 | 0 | 0 | 111.4 | L455 | Q451-L455 WeakPolarHBondContact O-CD1 3.37Å; Q451-L455 WeakPolarHBondContact O-CG 3.2Å; Q451-L455 PolarHBondContact O-N 3.27Å |
| 452 | E | 54.5 | Low | 58.4 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 171.4 | -65.3 | 172.6 | 176 | 0 | 0 | 113.3 | R450 L455 | R450-E452 HydrophobicContact CB-CB 4.45Å; R450-E452 PolarHBondContact O-N 3.05Å; R450-E452 VanDerWaalsContact O-N 3.12Å; E452-L455 PolarHBondContact O-N 2.63Å |
| 453 | D | 53.6 | Low | 55.8 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.7 | -34.9 | 177 | -59.9 | -36.4 | 0 | 0 | 0 | 111.6 | P449 R450 L455 T456 S457 | P449-D453 HydrophobicContact CB-CB 4.34Å; R450-D453 HydrophobicContact CB-CB 4.4Å; R450-D453 VanDerWaalsContact CB-OD2 3.3Å; R450-D453 WeakPolarHBondContact CB-OD2 3.5Å; R450-D453 PolarHBondContact N-OD2 2.85Å; R450-D453 WeakPolarHBondContact O-CA 3.34Å; R450-D453 WeakPolarHBondContact O-CB 3.24Å; R450-D453 PolarHBondContact O-N 2.64Å; D453-L455 PolarHBondContact O-N 3.1Å; D453-T456 VanDerWaalsContact C-OG1 3.31Å; D453-T456 WeakPolarHBondContact CA-OG1 3.47Å; D453-T456 PolarHBondContact O-N 2.93Å; D453-T456 PolarHBondContact O-OG1 2.93Å; D453-S457 PolarHBondContact O-N 3.27Å |
| 454 | L | 50.7 | Low | 53.3 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -31 | 173.7 | -81.6 | 152.4 | 0 | 0 | 0 | 112.2 | P449 R450 T456 S457 | P449-L454 HydrophobicContact CB-CD1 4.25Å; P449-L454 HydrophobicContact CB-CG 4.02Å; R450-L454 PolarHBondContact O-N 2.72Å; L454-T456 PolarHBondContact O-N 2.81Å; L454-S457 PolarHBondContact O-OG 3.38Å |
| 455 | L | 52.8 | Low | 51.2 | Low | 119 Ų | 119 | 116 Ų | 116 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -15.8 | 174.3 | -73.8 | 159.4 | 0 | 0 | 0 | 112.7 | Q451 E452 D453 | Q451-L455 WeakPolarHBondContact O-CD1 3.37Å; Q451-L455 WeakPolarHBondContact O-CG 3.2Å; Q451-L455 PolarHBondContact O-N 3.27Å; E452-L455 PolarHBondContact O-N 2.63Å; D453-L455 PolarHBondContact O-N 3.1Å |
| 456 | T | 51 | Low | 49.8 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -16.4 | 177.7 | 34.3 | 0 | 0 | 0 | 0 | 115.8 | D453 L454 | D453-T456 VanDerWaalsContact C-OG1 3.31Å; D453-T456 WeakPolarHBondContact CA-OG1 3.47Å; D453-T456 PolarHBondContact O-N 2.93Å; D453-T456 PolarHBondContact O-OG1 2.93Å; L454-T456 PolarHBondContact O-N 2.81Å |
| 457 | S | 42.6 | Very low | 49.1 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | trans | -93 | 3.7 | -173 | 55.2 | 0 | 0 | 0 | 0 | 114.9 | D453 L454 | D453-S457 PolarHBondContact O-N 3.27Å; L454-S457 PolarHBondContact O-OG 3.38Å | ||
| 458 | I | 37.3 | Very low | 49.2 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 65% | 0.651 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -78.5 | 121.1 | 167.3 | -58.1 | 176.1 | 0 | 0 | 0 | 107.1 | E460 | I458-E460 PolarHBondContact O-N 3.19Š|
| 459 | P | 36.7 | Very low | 50.2 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 77% | 0.766 | 60% | 0.599 | S | S | * | * | trans | -55.4 | 130.6 | -175.8 | 18.9 | -29.2 | 0 | 0 | 0 | 111 | E461 | P459-E461 PolarHBondContact O-N 2.83Š| ||
| 460 | E | 30.9 | Very low | 51.8 | Low | 188 Ų | 188 | 114.2 Ų | 114.2 | 88% | 0.879 | 59% | 0.585 | S | S | * | * | trans | -60 | 94.3 | -168.7 | -60.4 | 177.4 | 163.2 | 0 | 0 | 112.3 | I458 | I458-E460 PolarHBondContact O-N 3.19Š| ||
| 461 | E | 27.8 | Very low | 53.6 | Low | 161 Ų | 161 | 109.2 Ų | 109.2 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | trans | -85.5 | 132.1 | 133.3 | -79.1 | -168 | 165.1 | 0 | 0 | 106.9 | P459 T463 | P459-E461 PolarHBondContact O-N 2.83Å; E461-T463 PolarHBondContact O-N 2.76Å; E461-T463 PolarHBondContact O-OG1 2.74Å | ||
| 462 | P | 36.9 | Very low | 55.7 | Low | 120 Ų | 120 | 101.9 Ų | 101.9 | 78% | 0.779 | 53% | 0.533 | S | S | * | . | trans | -72.5 | 77.8 | -165.1 | 31.2 | -34.9 | 0 | 0 | 0 | 109.9 | ||||
| 463 | T | 32.1 | Very low | 57.8 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 74% | 0.736 | 51% | 0.507 | S | S | * | . | trans | -101 | 100.5 | 175.1 | 46.8 | 0 | 0 | 0 | 0 | 105.5 | E461 K465 | E461-T463 PolarHBondContact O-N 2.76Å; E461-T463 PolarHBondContact O-OG1 2.74Å; T463-K465 PolarHBondContact O-N 2.79Å | ||
| 464 | F | 37 | Very low | 59.9 | Low | 168 Ų | 168 | 94.8 Ų | 94.8 | 74% | 0.737 | 50% | 0.497 | S | S | * | . | trans | -38.1 | 103.8 | 173.3 | -73.2 | -97.6 | 0 | 0 | 0 | 109.5 | H466 L467 | F464-H466 PolarHBondContact O-N 2.85Å; F464-L467 HydrophobicContact CD1-CD1 4.49Å | ||
| 465 | K | 42.6 | Very low | 62.1 | Low | 132 Ų | 132 | 90.7 Ų | 90.7 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | trans | -43.2 | 120.6 | 171 | -76.1 | -178.5 | 177.3 | 179.4 | 0 | 107.1 | T463 L467 | T463-K465 PolarHBondContact O-N 2.79Å; K465-L467 VanDerWaalsContact C-N 3.34Å; K465-L467 PolarHBondContact O-N 2.85Å | ||
| 466 | H | 54.8 | Low | 64.1 | Low | 185 Ų | 185 | 88.7 Ų | 88.7 | 86% | 0.856 | 47% | 0.469 | S | S | * | . | trans | -35.8 | 93.9 | -175.4 | -81.2 | -83.4 | 0 | 0 | 0 | 112 | F464 I468 | F464-H466 PolarHBondContact O-N 2.85Å; H466-I468 PolarHBondContact O-N 3.28Å | ||
| 467 | L | 70.8 | Confident | 66.1 | Low | 68 Ų | 68 | 89.2 Ų | 89.2 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | trans | -69.3 | 123.6 | 178.7 | -70.7 | 168.6 | 0 | 0 | 0 | 105.9 | F464 K465 E469 P486 K487 | F464-L467 HydrophobicContact CD1-CD1 4.49Å; K465-L467 VanDerWaalsContact C-N 3.34Å; K465-L467 PolarHBondContact O-N 2.85Å; L467-E469 HydrophobicContact CB-CG 4.34Å; L467-E469 PolarHBondContact O-N 3.48Å; L467-P486 HydrophobicContact CB-CB 3.95Å; L467-P486 HydrophobicContact CB-CG 3.64Å; L467-P486 HydrophobicContact CD1-CB 4.42Å; L467-P486 HydrophobicContact CD1-CG 4.26Å; L467-P486 HydrophobicContact CD2-CB 3.78Å; L467-P486 HydrophobicContact CD2-CG 4.38Å; L467-P486 HydrophobicContact CG-CB 4.24Å; L467-P486 HydrophobicContact CG-CG 4.29Å; L467-K487 HydrophobicContact CD1-CG 3.89Å | ||
| 468 | I | 82.4 | Confident | 68.7 | Low | 38 Ų | 38 | 86.4 Ų | 86.4 | 20% | 0.195 | 45% | 0.452 | C | S | . | . | trans | -70.7 | 99.8 | 174.9 | -61.6 | 178.6 | 0 | 0 | 0 | 106.9 | H466 S470 L484 T497 F622 | H466-I468 PolarHBondContact O-N 3.28Å; I468-S470 WeakPolarHBondContact CG2-O 3.31Å; I468-L484 HydrophobicContact CG2-CD1 4.1Å; I468-T497 HydrophobicContact CB-CG2 4.12Å; I468-T497 HydrophobicContact CD1-CG2 4.21Å; I468-T497 HydrophobicContact CG2-CG2 3.94Å; I468-F622 HydrophobicContact CD1-CD1 4.35Å; I468-F622 HydrophobicContact CD1-CG 4.46Å; I468-F622 HydrophobicContact CG2-CD1 3.29Å; I468-F622 HydrophobicContact CG2-CE1 3.73Å; I468-F622 HydrophobicContact CG2-CG 4.13Å | ||
| 469 | E | 90.3 | Very high | 71.5 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 46% | 0.458 | 44% | 0.438 | S | S | . | . | trans | -93.3 | -6.3 | -177.4 | -69.2 | -176.5 | 173.9 | 0 | 0 | 113.1 | L467 K483 L484 P486 | L467-E469 HydrophobicContact CB-CG 4.34Å; L467-E469 PolarHBondContact O-N 3.48Å; E469-K483 CarbonylContact O-C 3.59Å; E469-K483 WeakPolarHBondContact O-CA 3.48Å; E469-L484 PolarHBondContact O-N 3.4Å; E469-P486 HydrophobicContact CG-CG 3.9Å | ||
| 470 | S | 93.8 | Very high | 74.4 | Confident | 34 Ų | 34 | 77.9 Ų | 77.9 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.5 | 177.4 | 67.7 | 0 | 0 | 0 | 0 | 113 | I468 C482 | I468-S470 WeakPolarHBondContact CG2-O 3.31Å; S470-C482 CarbonylContact C-O 3.54Å; S470-C482 WeakPolarHBondContact CA-O 3.14Å; S470-C482 WeakPolarHBondContact CB-O 3.25Å |
| 471 | C | 95.4 | Very high | 77.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.8 | 171.9 | 71.1 | 0 | 0 | 0 | 0 | 111.4 | C482 L484 I620 S621 F622 | C471-C482 PolarHBondContact N-O 2.81Å; C471-C482 PolarHBondContact O-N 3.13Å; C471-L484 HydrophobicContact CB-CD1 4.38Å; C471-I620 HydrophobicContact CB-CG2 4.07Å; C471-S621 CarbonylContact C-O 3.54Å; C471-S621 WeakPolarHBondContact CA-O 3.43Å; C471-S621 WeakPolarHBondContact CB-O 3.26Å; C471-F622 HydrophobicContact CB-CD1 3.63Å; C471-F622 HydrophobicContact CB-CE1 3.53Å |
| 472 | V | 96.7 | Very high | 80.9 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.6 | 170.3 | -168.8 | 0 | 0 | 0 | 0 | 108.4 | D479 I480 H481 I620 S621 P623 | V472-D479 HydrophobicContact CG1-CB 3.9Å; V472-I480 CarbonylContact C-O 3.59Å; V472-I480 WeakPolarHBondContact CA-O 3.36Å; V472-H481 VanDerWaalsContact CG2-ND1 3.3Å; V472-H481 WeakPolarHBondContact CG2-ND1 3.48Å; V472-I620 CarbonylContact O-C 3.58Å; V472-I620 VanDerWaalsContact O-CA 3.32Å; V472-I620 WeakPolarHBondContact O-CA 3.35Å; V472-S621 PolarHBondContact N-O 3.29Å; V472-S621 PolarHBondContact O-N 2.87Å; V472-P623 HydrophobicContact CG2-CG 4.11Å |
| 473 | I | 98 | Very high | 83.8 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.6 | 173.7 | -53.1 | 174.3 | 0 | 0 | 0 | 106.9 | T475 I480 F496 M555 F569 I617 I620 | I473-T475 HydrophobicContact CG2-CG2 3.94Å; I473-I480 HydrophobicContact CB-CB 4.29Å; I473-I480 PolarHBondContact N-O 3.27Å; I473-I480 PolarHBondContact O-N 2.79Å; I473-F496 HydrophobicContact CD1-CZ 4.47Å; I473-M555 HydrophobicContact CD1-CE 4.12Å; I473-F569 HydrophobicContact CD1-CE2 4.29Å; I473-F569 HydrophobicContact CD1-CZ 4.19Å; I473-I617 HydrophobicContact CG2-CD1 4.11Å; I473-I617 HydrophobicContact CG2-CG1 3.93Å; I473-I617 HydrophobicContact CG2-CG2 4.09Å; I473-I620 HydrophobicContact CB-CG1 4.47Å; I473-I620 HydrophobicContact CG1-CD1 4.29Å; I473-I620 HydrophobicContact CG1-CG1 4.26Å; I473-I620 HydrophobicContact CG2-CG1 4.22Å |
| 474 | H | 96.8 | Very high | 86.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 21% | 0.213 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.2 | 174.6 | -59 | -68.9 | 0 | 0 | 0 | 108.5 | D479 I617 V618 S619 S621 | H474-D479 IonicContact CE1-OD1 2.9Å; H474-D479 IonicContact CE1-OD2 3.61Å; H474-D479 IonicContact CG-OD1 3.72Å; H474-D479 IonicContact ND1-OD1 3.62Å; H474-D479 PolarHBondContact ND1-OD1 2.77Å; H474-D479 IonicContact ND1-OD2 2.71Å; H474-D479 PolarHBondContact ND1-OD2 2.81Å; H474-I617 CarbonylContact O-C 3.4Å; H474-V618 HydrophobicContact CB-CB 4.37Å; H474-V618 PolarHBondContact O-N 3.31Å; H474-S619 WeakPolarHBondContact CB-O 3.47Å; H474-S619 PolarHBondContact CD2-OG 3.2Å; H474-S619 PolarHBondContact N-O 2.78Å; H474-S619 PolarHBondContact O-N 2.8Å; H474-S621 PolarHBondContact NE2-OG 3.22Å |
| 475 | T | 97.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 162.9 | 177.9 | 78.8 | 0 | 0 | 0 | 0 | 110.7 | I473 M477 G478 I480 F510 I599 S616 | I473-T475 HydrophobicContact CG2-CG2 3.94Å; T475-M477 PolarHBondContact O-N 3.05Å; T475-M477 VanDerWaalsContact O-N 3.09Å; T475-M477 PolarHBondContact OG1-N 2.79Å; T475-M477 VanDerWaalsContact OG1-N 3.15Å; T475-G478 WeakPolarHBondContact CA-O 3.33Å; T475-G478 WeakPolarHBondContact CB-O 3.32Å; T475-G478 PolarHBondContact N-O 2.94Å; T475-G478 PolarHBondContact O-N 2.9Å; T475-G478 PolarHBondContact OG1-N 2.6Å; T475-G478 PolarHBondContact OG1-O 2.72Å; T475-I480 HydrophobicContact CG2-CD1 3.96Å; T475-F510 HydrophobicContact CG2-CE2 3.91Å; T475-F510 HydrophobicContact CG2-CZ 4.07Å; T475-I599 HydrophobicContact CG2-CD1 4.49Å; T475-S616 WeakPolarHBondContact CA-O 3.49Å |
| 476 | T | 94.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 45 Ų | 45 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.8 | 170.2 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | I615 S616 V618 | T476-I615 WeakPolarHBondContact OG1-CG2 2.93Å; T476-S616 WeakPolarHBondContact CG2-OG 3.15Å; T476-S616 PolarHBondContact N-O 2.8Å; T476-S616 PolarHBondContact OG1-N 2.67Å; T476-S616 VanDerWaalsContact OG1-N 3.1Å; T476-S616 PolarHBondContact OG1-O 3Å; T476-V618 HydrophobicContact CG2-CG2 4.18Å |
| 477 | M | 94.5 | Very high | 93.4 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 41% | 0.414 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 4.5 | 175.8 | -64.3 | -162 | 92.1 | 0 | 0 | 114.1 | T475 V595 N598 I599 V602 I615 | T475-M477 PolarHBondContact O-N 3.05Å; T475-M477 VanDerWaalsContact O-N 3.09Å; T475-M477 PolarHBondContact OG1-N 2.79Å; T475-M477 VanDerWaalsContact OG1-N 3.15Å; M477-V595 HydrophobicContact CB-CG1 4.25Å; M477-N598 HydrophobicContact CE-CB 4.48Å; M477-I599 HydrophobicContact CB-CG1 4.17Å; M477-I599 HydrophobicContact CG-CG1 4.32Å; M477-I599 HydrophobicContact SD-CG1 3.77Å; M477-V602 HydrophobicContact CE-CG1 4.4Å; M477-V602 HydrophobicContact SD-CG1 4.17Å; M477-I615 HydrophobicContact CG-CG1 4.32Å; M477-I615 HydrophobicContact CG-CG2 3.99Å; M477-I615 HydrophobicContact SD-CD1 3.65Å; M477-I615 HydrophobicContact SD-CG1 3.99Å; M477-I615 HydrophobicContact SD-CG2 4.36Å |
| 478 | G | 96.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.7 | -173.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T475 | T475-G478 WeakPolarHBondContact CA-O 3.33Å; T475-G478 WeakPolarHBondContact CB-O 3.32Å; T475-G478 PolarHBondContact N-O 2.94Å; T475-G478 PolarHBondContact O-N 2.9Å; T475-G478 PolarHBondContact OG1-N 2.6Å; T475-G478 PolarHBondContact OG1-O 2.72Å |
| 479 | D | 97.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.5 | -171.8 | -69.3 | -9.2 | 0 | 0 | 0 | 112.4 | V472 H474 G592 | V472-D479 HydrophobicContact CG1-CB 3.9Å; H474-D479 IonicContact CE1-OD1 2.9Å; H474-D479 IonicContact CE1-OD2 3.61Å; H474-D479 IonicContact CG-OD1 3.72Å; H474-D479 IonicContact ND1-OD1 3.62Å; H474-D479 PolarHBondContact ND1-OD1 2.77Å; H474-D479 IonicContact ND1-OD2 2.71Å; H474-D479 PolarHBondContact ND1-OD2 2.81Å; D479-G592 WeakPolarHBondContact O-CA 3.4Å |
| 480 | I | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.5 | 174.9 | -55.4 | 168.2 | 0 | 0 | 0 | 107.9 | V472 I473 T475 I571 V589 V595 V596 I599 | V472-I480 CarbonylContact C-O 3.59Å; V472-I480 WeakPolarHBondContact CA-O 3.36Å; I473-I480 HydrophobicContact CB-CB 4.29Å; I473-I480 PolarHBondContact N-O 3.27Å; I473-I480 PolarHBondContact O-N 2.79Å; T475-I480 HydrophobicContact CG2-CD1 3.96Å; I480-I571 HydrophobicContact CG2-CD1 4.42Å; I480-V589 HydrophobicContact CG2-CB 4.19Å; I480-V589 HydrophobicContact CG2-CG1 3.5Å; I480-V589 HydrophobicContact CG2-CG2 3.61Å; I480-V595 HydrophobicContact CD1-CG1 4.25Å; I480-V595 HydrophobicContact CG1-CB 4.09Å; I480-V595 HydrophobicContact CG1-CG1 3.89Å; I480-V596 HydrophobicContact CD1-CG2 3.83Å; I480-V596 HydrophobicContact CG1-CG2 4.03Å; I480-V596 HydrophobicContact CG2-CG2 3.85Å; I480-I599 HydrophobicContact CD1-CD1 4.26Å |
| 481 | H | 97.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 20% | 0.199 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.2 | 179.1 | -57.8 | -103.3 | 0 | 0 | 0 | 110.6 | V472 V589 H590 K591 | V472-H481 VanDerWaalsContact CG2-ND1 3.3Å; V472-H481 WeakPolarHBondContact CG2-ND1 3.48Å; H481-V589 WeakPolarHBondContact O-CA 3.35Å; H481-V589 WeakPolarHBondContact O-CG1 3.42Å; H481-H590 PolarHBondContact O-CD2 3.25Å; H481-H590 PolarHBondContact O-N 3.02Å; H481-K591 HydrophobicContact CB-CB 3.9Å; H481-K591 PolarHBondContact N-O 3.38Å; H481-K591 PolarHBondContact O-N 2.76Å |
| 482 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.1 | -172 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | S470 C471 M555 L588 | S470-C482 CarbonylContact C-O 3.54Å; S470-C482 WeakPolarHBondContact CA-O 3.14Å; S470-C482 WeakPolarHBondContact CB-O 3.25Å; C471-C482 PolarHBondContact N-O 2.81Å; C471-C482 PolarHBondContact O-N 3.13Å; C482-M555 HydrophobicContact CB-SD 3.46Å; C482-M555 WeakPolarHBondContact CB-SD 3.43Å; C482-M555 PolarHBondContact SG-SD 3.46Å; C482-L588 CarbonylContact C-O 3.59Å; C482-L588 WeakPolarHBondContact CA-O 3.38Å |
| 483 | K | 96.5 | Very high | 94.7 | Very high | 109 Ų | 109 | 41.3 Ų | 41.3 | 47% | 0.474 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.9 | 162.2 | -178.1 | 173.9 | -178.9 | 176.1 | 0 | 108.2 | E469 Y485 G587 L588 | E469-K483 CarbonylContact O-C 3.59Å; E469-K483 WeakPolarHBondContact O-CA 3.48Å; K483-Y485 HydrophobicContact CD-CE1 4.24Å; K483-Y485 HydrophobicContact CG-CE1 4.25Å; K483-G587 CarbonylContact O-C 3.55Å; K483-G587 WeakPolarHBondContact O-CA 3.27Å; K483-L588 PolarHBondContact N-O 3.49Å; K483-L588 PolarHBondContact O-N 3.32Å |
| 484 | L | 96.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 158.1 | 177 | -56.9 | 178.9 | 0 | 0 | 0 | 110.4 | I468 E469 C471 P486 V493 F496 T497 F586 | I468-L484 HydrophobicContact CG2-CD1 4.1Å; E469-L484 PolarHBondContact O-N 3.4Å; C471-L484 HydrophobicContact CB-CD1 4.38Å; L484-P486 WeakPolarHBondContact O-CD 2.96Å; L484-V493 HydrophobicContact CB-CG1 4.23Å; L484-V493 HydrophobicContact CB-CG2 4.26Å; L484-V493 HydrophobicContact CD1-CG1 4.13Å; L484-F496 HydrophobicContact CD1-CD1 4.3Å; L484-F496 HydrophobicContact CD1-CE1 4.38Å; L484-F496 HydrophobicContact CD2-CD1 4.35Å; L484-F496 HydrophobicContact CD2-CE1 4.25Å; L484-T497 HydrophobicContact CD1-CG2 3.72Å; L484-F586 WeakPolarHBondContact CA-O 3.18Å; L484-F586 HydrophobicContact CD2-CD2 4.19Å; L484-F586 HydrophobicContact CD2-CE2 4.32Å |
| 485 | Y | 95.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | trans | -116.2 | 65.9 | -177.7 | -56.7 | -43.1 | 0 | 0 | 0 | 112.5 | K483 K487 E488 C489 L547 I585 F586 L588 | K483-Y485 HydrophobicContact CD-CE1 4.24Å; K483-Y485 HydrophobicContact CG-CE1 4.25Å; Y485-K487 PolarHBondContact O-N 3.43Å; Y485-E488 WeakPolarHBondContact CB-OE2 3.29Å; Y485-E488 PolarHBondContact O-N 2.93Å; Y485-C489 PolarHBondContact O-N 2.89Å; Y485-L547 HydrophobicContact CD2-CD1 3.69Å; Y485-L547 HydrophobicContact CD2-CD2 3.69Å; Y485-L547 HydrophobicContact CD2-CG 4.36Å; Y485-L547 HydrophobicContact CE2-CD1 4.36Å; Y485-L547 HydrophobicContact CE2-CD2 3.59Å; Y485-L547 HydrophobicContact CG-CD1 4.23Å; Y485-L547 HydrophobicContact CG-CD2 4.27Å; Y485-I585 HydrophobicContact CD2-CG2 4.31Å; Y485-I585 HydrophobicContact CE2-CG2 4.06Å; Y485-F586 PolarHBondContact N-O 3.06Å; Y485-L588 VanDerWaalsContact OH-CB 3.23Å; Y485-L588 WeakPolarHBondContact OH-CB 3.39Å | ||
| 486 | P | 89.8 | Confident | 94.4 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.6 | -173.6 | 27 | -34.7 | 0 | 0 | 0 | 114.1 | L467 E469 L484 P490 V493 | L467-P486 HydrophobicContact CB-CB 3.95Å; L467-P486 HydrophobicContact CB-CG 3.64Å; L467-P486 HydrophobicContact CD1-CB 4.42Å; L467-P486 HydrophobicContact CD1-CG 4.26Å; L467-P486 HydrophobicContact CD2-CB 3.78Å; L467-P486 HydrophobicContact CD2-CG 4.38Å; L467-P486 HydrophobicContact CG-CB 4.24Å; L467-P486 HydrophobicContact CG-CG 4.29Å; E469-P486 HydrophobicContact CG-CG 3.9Å; L484-P486 WeakPolarHBondContact O-CD 2.96Å; P486-P490 VanDerWaalsContact O-CA 3.29Å; P486-P490 WeakPolarHBondContact O-CA 3.47Å; P486-P490 WeakPolarHBondContact O-CB 3.42Å; P486-V493 HydrophobicContact CB-CB 4.29Å; P486-V493 HydrophobicContact CB-CG1 3.98Å; P486-V493 HydrophobicContact CB-CG2 4.48Å |
| 487 | K | 88 | Confident | 94.4 | Very high | 136 Ų | 136 | 39.9 Ų | 39.9 | 59% | 0.591 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -37.9 | 176.6 | -65.7 | 179.7 | -177.8 | 172.5 | 0 | 111.2 | L467 Y485 | L467-K487 HydrophobicContact CD1-CG 3.89Å; Y485-K487 PolarHBondContact O-N 3.43Å |
| 488 | E | 91 | Very high | 94.1 | Very high | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -36.3 | -177.3 | -61.6 | 80.1 | 176.9 | 0 | 0 | 112.2 | Y485 H544 L547 | Y485-E488 WeakPolarHBondContact CB-OE2 3.29Å; Y485-E488 PolarHBondContact O-N 2.93Å; E488-H544 HydrophobicContact CB-CB 4.03Å; E488-H544 HydrophobicContact CG-CB 4.45Å; E488-L547 HydrophobicContact CB-CD1 3.81Å; E488-L547 HydrophobicContact CG-CD1 4.29Å |
| 489 | C | 91.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -134.6 | 63.1 | -176.7 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | Y485 K491 T492 V493 E542 T584 I585 F586 | Y485-C489 PolarHBondContact O-N 2.89Å; C489-K491 PolarHBondContact O-N 3.04Å; C489-T492 PolarHBondContact O-N 2.88Å; C489-V493 WeakPolarHBondContact O-CG2 3.46Å; C489-V493 PolarHBondContact O-N 3.4Å; C489-E542 WeakPolarHBondContact CA-OE2 3.37Å; C489-E542 HydrophobicContact CB-CB 4.04Å; C489-E542 WeakPolarHBondContact CB-OE2 3.31Å; C489-E542 PolarHBondContact SG-O 3.27Å; C489-E542 VanDerWaalsContact SG-O 3.33Å; C489-T584 HydrophobicContact CB-CG2 4.24Å; C489-I585 PolarHBondContact SG-O 3.26Å; C489-F586 HydrophobicContact CB-CB 4.33Å |
| 490 | P | 91.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 44% | 0.442 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.5 | -44.6 | -172.8 | 21.7 | -33.3 | 0 | 0 | 0 | 113.2 | P486 E494 E542 | P486-P490 VanDerWaalsContact O-CA 3.29Å; P486-P490 WeakPolarHBondContact O-CA 3.47Å; P486-P490 WeakPolarHBondContact O-CB 3.42Å; P490-E494 VanDerWaalsContact O-CB 3.27Å; P490-E494 WeakPolarHBondContact O-CB 3.4Å; P490-E494 PolarHBondContact O-N 3.45Å; P490-E542 WeakPolarHBondContact CD-OE1 3.24Å; P490-E542 WeakPolarHBondContact CG-OE1 3.15Å |
| 491 | K | 91.5 | Very high | 93 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.5 | -40 | -178.3 | -71.8 | -174.8 | 163.7 | -170.7 | 0 | 111.8 | C489 V493 E494 N495 W535 E540 E542 | C489-K491 PolarHBondContact O-N 3.04Å; K491-V493 VanDerWaalsContact C-N 3.35Å; K491-V493 PolarHBondContact O-N 3.49Å; K491-E494 PolarHBondContact O-N 3.09Å; K491-N495 VanDerWaalsContact O-CB 3.29Å; K491-N495 WeakPolarHBondContact O-CB 3.29Å; K491-N495 PolarHBondContact O-N 3.03Å; K491-W535 HydrophobicContact CB-CH2 4.1Å; K491-W535 WeakPolarHBondContact O-CH2 3.48Å; K491-E540 HydrophobicContact CD-CG 4.46Å; K491-E540 WeakPolarHBondContact CD-OE1 3.28Å; K491-E540 WeakPolarHBondContact CE-OE1 3.1Å; K491-E540 IonicContact NZ-OE1 3.27Å; K491-E540 PolarHBondContact NZ-OE1 3.43Å; K491-E540 IonicContact NZ-OE2 3.54Å; K491-E540 PolarHBondContact NZ-OE2 2.96Å; K491-E540 VanDerWaalsContact NZ-OE2 3.08Å; K491-E542 WeakPolarHBondContact CB-OE1 3.46Å; K491-E542 PolarHBondContact N-OE1 2.9Å; K491-E542 PolarHBondContact N-OE2 3.36Å |
| 492 | T | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 180 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | C489 F496 F539 E542 M557 T584 F586 | C489-T492 PolarHBondContact O-N 2.88Å; T492-F496 WeakPolarHBondContact O-CB 3.29Å; T492-F496 PolarHBondContact O-N 2.52Å; T492-F539 HydrophobicContact CG2-CZ 4.41Å; T492-E542 VanDerWaalsContact CB-OE2 3.29Å; T492-E542 WeakPolarHBondContact CB-OE2 3.37Å; T492-E542 PolarHBondContact N-OE2 3.42Å; T492-E542 PolarHBondContact OG1-OE2 3.32Å; T492-M557 HydrophobicContact CG2-CG 3.45Å; T492-M557 VanDerWaalsContact CG2-CG 3.45Å; T492-M557 HydrophobicContact CG2-SD 3.69Å; T492-T584 HydrophobicContact CG2-CG2 4.14Å; T492-T584 WeakPolarHBondContact OG1-CG2 3.23Å; T492-F586 HydrophobicContact CG2-CB 3.51Å; T492-F586 HydrophobicContact CG2-CD1 3.73Å; T492-F586 HydrophobicContact CG2-CD2 4.33Å; T492-F586 HydrophobicContact CG2-CG 3.6Å |
| 493 | V | 95.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L484 P486 C489 K491 F496 T497 F586 | L484-V493 HydrophobicContact CB-CG1 4.23Å; L484-V493 HydrophobicContact CB-CG2 4.26Å; L484-V493 HydrophobicContact CD1-CG1 4.13Å; P486-V493 HydrophobicContact CB-CB 4.29Å; P486-V493 HydrophobicContact CB-CG1 3.98Å; P486-V493 HydrophobicContact CB-CG2 4.48Å; C489-V493 WeakPolarHBondContact O-CG2 3.46Å; C489-V493 PolarHBondContact O-N 3.4Å; K491-V493 VanDerWaalsContact C-N 3.35Å; K491-V493 PolarHBondContact O-N 3.49Å; V493-F496 PolarHBondContact O-N 3Å; V493-T497 HydrophobicContact CG1-CG2 3.9Å; V493-T497 WeakPolarHBondContact O-CB 3.37Å; V493-T497 WeakPolarHBondContact O-CG2 3.38Å; V493-T497 PolarHBondContact O-N 3.34Å; V493-T497 PolarHBondContact O-OG1 3.27Å; V493-F586 HydrophobicContact CG2-CB 4.3Å |
| 494 | E | 93.3 | Very high | 91.5 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 173.7 | -176.3 | 179.1 | -159.2 | 0 | 0 | 111.4 | P490 K491 F496 T497 T498 M534 | P490-E494 VanDerWaalsContact O-CB 3.27Å; P490-E494 WeakPolarHBondContact O-CB 3.4Å; P490-E494 PolarHBondContact O-N 3.45Å; K491-E494 PolarHBondContact O-N 3.09Å; E494-F496 PolarHBondContact O-N 3.17Å; E494-T497 PolarHBondContact O-N 2.93Å; E494-T497 PolarHBondContact O-OG1 3.16Å; E494-T498 WeakPolarHBondContact O-CB 3.43Å; E494-T498 PolarHBondContact O-N 3.32Å; E494-T498 PolarHBondContact O-OG1 3.39Å; E494-M534 HydrophobicContact CG-SD 4.01Å |
| 495 | N | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -52.9 | 176.2 | 176.9 | 63.5 | 0 | 0 | 0 | 111.7 | K491 L499 S533 M534 W535 F539 G566 | K491-N495 VanDerWaalsContact O-CB 3.29Å; K491-N495 WeakPolarHBondContact O-CB 3.29Å; K491-N495 PolarHBondContact O-N 3.03Å; N495-L499 WeakPolarHBondContact O-CB 3.21Å; N495-L499 WeakPolarHBondContact O-CG 3.41Å; N495-L499 PolarHBondContact O-N 3.2Å; N495-L499 VanDerWaalsContact O-N 3.09Å; N495-S533 VanDerWaalsContact OD1-CA 3.25Å; N495-S533 WeakPolarHBondContact OD1-CA 3.17Å; N495-S533 WeakPolarHBondContact OD1-CB 3.38Å; N495-M534 HydrophobicContact CB-CG 4.4Å; N495-M534 PolarHBondContact OD1-N 3.02Å; N495-W535 HydrophobicContact CB-CH2 3.87Å; N495-W535 HydrophobicContact CB-CZ3 3.75Å; N495-F539 HydrophobicContact CB-CE1 4.12Å; N495-F539 HydrophobicContact CB-CZ 4.09Å; N495-F539 WeakPolarHBondContact ND2-CE1 3.33Å; N495-G566 PolarHBondContact ND2-O 2.97Å |
| 496 | F | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | -178.8 | 174.4 | -98.5 | 0 | 0 | 0 | 112.1 | I473 L484 T492 V493 E494 A500 Y505 M555 F569 F586 I620 | I473-F496 HydrophobicContact CD1-CZ 4.47Å; L484-F496 HydrophobicContact CD1-CD1 4.3Å; L484-F496 HydrophobicContact CD1-CE1 4.38Å; L484-F496 HydrophobicContact CD2-CD1 4.35Å; L484-F496 HydrophobicContact CD2-CE1 4.25Å; T492-F496 WeakPolarHBondContact O-CB 3.29Å; T492-F496 PolarHBondContact O-N 2.52Å; V493-F496 PolarHBondContact O-N 3Å; E494-F496 PolarHBondContact O-N 3.17Å; F496-A500 VanDerWaalsContact O-CB 3.28Å; F496-A500 WeakPolarHBondContact O-CB 3.36Å; F496-A500 PolarHBondContact O-N 3.47Å; F496-Y505 AromaticContact CD2-CE2 3.84Å; F496-Y505 HydrophobicContact CD2-CE2 3.84Å; F496-Y505 HydrophobicContact CE2-CE2 4.06Å; F496-M555 HydrophobicContact CE2-CE 4.39Å; F496-M555 HydrophobicContact CZ-CE 4.2Å; F496-F569 HydrophobicContact CD2-CD1 4.39Å; F496-F569 HydrophobicContact CD2-CE1 4.25Å; F496-F569 HydrophobicContact CE2-CD1 4.24Å; F496-F569 AromaticContact CE2-CE1 3.7Å; F496-F569 HydrophobicContact CE2-CE1 3.7Å; F496-F569 AromaticContact CE2-CZ 3.88Å; F496-F569 HydrophobicContact CE2-CZ 3.88Å; F496-F586 HydrophobicContact CB-CD2 4.48Å; F496-F586 HydrophobicContact CB-CE2 4.01Å; F496-F586 HydrophobicContact CD1-CE2 4.05Å; F496-F586 AromaticContact CD2-CE2 3.81Å; F496-F586 HydrophobicContact CD2-CE2 3.81Å; F496-F586 HydrophobicContact CD2-CZ 4.01Å; F496-F586 HydrophobicContact CE2-CE2 4.28Å; F496-F586 HydrophobicContact CE2-CZ 4.43Å; F496-F586 HydrophobicContact CG-CD2 4.49Å; F496-F586 AromaticContact CG-CE2 3.67Å; F496-F586 HydrophobicContact CG-CE2 3.67Å; F496-F586 HydrophobicContact CG-CZ 4.31Å; F496-I620 HydrophobicContact CE2-CD1 4.14Å; F496-I620 HydrophobicContact CZ-CD1 3.87Å; F496-I620 HydrophobicContact CZ-CG2 4.49Å |
| 497 | T | 94 | Very high | 91.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.1 | -35.4 | -174.7 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | I468 L484 V493 E494 A500 K501 F622 | I468-T497 HydrophobicContact CB-CG2 4.12Å; I468-T497 HydrophobicContact CD1-CG2 4.21Å; I468-T497 HydrophobicContact CG2-CG2 3.94Å; L484-T497 HydrophobicContact CD1-CG2 3.72Å; V493-T497 HydrophobicContact CG1-CG2 3.9Å; V493-T497 WeakPolarHBondContact O-CB 3.37Å; V493-T497 WeakPolarHBondContact O-CG2 3.38Å; V493-T497 PolarHBondContact O-N 3.34Å; V493-T497 PolarHBondContact O-OG1 3.27Å; E494-T497 PolarHBondContact O-N 2.93Å; E494-T497 PolarHBondContact O-OG1 3.16Å; T497-A500 PolarHBondContact O-N 3.04Å; T497-K501 WeakPolarHBondContact O-CG 3.4Å; T497-K501 PolarHBondContact O-N 3.2Å; T497-F622 HydrophobicContact CG2-CE1 3.73Å; T497-F622 HydrophobicContact CG2-CZ 4.06Å |
| 498 | T | 88.3 | Confident | 91.7 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.7 | -46.6 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | E494 A500 K501 N502 M534 | E494-T498 WeakPolarHBondContact O-CB 3.43Å; E494-T498 PolarHBondContact O-N 3.32Å; E494-T498 PolarHBondContact O-OG1 3.39Å; T498-A500 VanDerWaalsContact C-N 3.3Å; T498-A500 PolarHBondContact O-N 2.8Å; T498-K501 PolarHBondContact O-N 3.25Å; T498-N502 VanDerWaalsContact O-CG 3.31Å; T498-N502 PolarHBondContact O-N 3.08Å; T498-N502 PolarHBondContact O-ND2 3.31Å; T498-M534 HydrophobicContact CG2-CB 4.46Å; T498-M534 HydrophobicContact CG2-CE 3.79Å; T498-M534 HydrophobicContact CG2-SD 3.99Å |
| 499 | L | 90.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.4 | -71.3 | 175.7 | 0 | 0 | 0 | 111.1 | N495 N502 G503 Y504 Y505 M534 | N495-L499 WeakPolarHBondContact O-CB 3.21Å; N495-L499 WeakPolarHBondContact O-CG 3.41Å; N495-L499 PolarHBondContact O-N 3.2Å; N495-L499 VanDerWaalsContact O-N 3.09Å; L499-N502 PolarHBondContact O-N 3.28Å; L499-G503 PolarHBondContact O-N 2.93Å; L499-Y504 HydrophobicContact CB-CD1 4.2Å; L499-Y504 HydrophobicContact CB-CG 4.16Å; L499-Y504 HydrophobicContact CD1-CD1 4.28Å; L499-Y504 HydrophobicContact CD1-CE1 4.45Å; L499-Y504 HydrophobicContact CD2-CD1 4.06Å; L499-Y504 HydrophobicContact CD2-CD2 3.79Å; L499-Y504 HydrophobicContact CD2-CE1 4.47Å; L499-Y504 HydrophobicContact CD2-CE2 4.2Å; L499-Y504 HydrophobicContact CD2-CG 3.7Å; L499-Y504 HydrophobicContact CG-CD1 4.41Å; L499-Y504 HydrophobicContact CG-CG 4.4Å; L499-Y504 WeakPolarHBondContact O-CB 3.11Å; L499-Y504 PolarHBondContact O-N 2.83Å; L499-Y505 HydrophobicContact CB-CD2 4.23Å; L499-Y505 HydrophobicContact CB-CE2 3.57Å; L499-Y505 HydrophobicContact CD1-CE2 4.46Å; L499-Y505 WeakPolarHBondContact CD1-OH 2.83Å; L499-M534 HydrophobicContact CD2-CB 4.14Å; L499-M534 HydrophobicContact CG-CB 4.22Å |
| 500 | A | 91.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F496 T497 T498 N502 G503 Y505 I620 F622 | F496-A500 VanDerWaalsContact O-CB 3.28Å; F496-A500 WeakPolarHBondContact O-CB 3.36Å; F496-A500 PolarHBondContact O-N 3.47Å; T497-A500 PolarHBondContact O-N 3.04Å; T498-A500 VanDerWaalsContact C-N 3.3Å; T498-A500 PolarHBondContact O-N 2.8Å; A500-N502 PolarHBondContact O-N 2.98Å; A500-G503 PolarHBondContact O-N 2.63Å; A500-Y505 HydrophobicContact CB-CD2 3.96Å; A500-Y505 HydrophobicContact CB-CE2 4.36Å; A500-I620 HydrophobicContact CB-CB 3.9Å; A500-I620 HydrophobicContact CB-CD1 4.07Å; A500-I620 HydrophobicContact CB-CG2 3.96Å; A500-F622 HydrophobicContact CB-CE2 4.05Å; A500-F622 HydrophobicContact CB-CZ 3.68Å |
| 501 | K | 86.8 | Confident | 92.3 | Very high | 127 Ų | 127 | 34.7 Ų | 34.7 | 55% | 0.552 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.3 | -34.2 | 177.1 | -76 | 176.5 | 179.3 | 176.3 | 0 | 112.9 | T497 T498 G503 F622 | T497-K501 WeakPolarHBondContact O-CG 3.4Å; T497-K501 PolarHBondContact O-N 3.2Å; T498-K501 PolarHBondContact O-N 3.25Å; K501-G503 PolarHBondContact O-N 3.12Å; K501-F622 HydrophobicContact CG-CD2 4.12Å; K501-F622 HydrophobicContact CG-CE2 3.64Å |
| 502 | N | 84.2 | Confident | 92.5 | Very high | 126 Ų | 126 | 35.9 Ų | 35.9 | 67% | 0.674 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 2.1 | 177.1 | -67.4 | -18.5 | 0 | 0 | 0 | 113.3 | T498 L499 A500 Y504 | T498-N502 VanDerWaalsContact O-CG 3.31Å; T498-N502 PolarHBondContact O-N 3.08Å; T498-N502 PolarHBondContact O-ND2 3.31Å; L499-N502 PolarHBondContact O-N 3.28Å; A500-N502 PolarHBondContact O-N 2.98Å; N502-Y504 PolarHBondContact O-N 2.81Å |
| 503 | G | 84.7 | Confident | 92.5 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 14.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | L499 A500 K501 Y505 N506 | L499-G503 PolarHBondContact O-N 2.93Å; A500-G503 PolarHBondContact O-N 2.63Å; K501-G503 PolarHBondContact O-N 3.12Å; G503-Y505 PolarHBondContact O-N 3.37Å; G503-N506 WeakPolarHBondContact CA-ND2 3.25Å; G503-N506 VanDerWaalsContact O-CB 3.28Å; G503-N506 WeakPolarHBondContact O-CB 3.18Å; G503-N506 PolarHBondContact O-N 2.85Å |
| 504 | Y | 90.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 37.3 Ų | 37.3 | 26% | 0.263 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31.5 | -176.7 | -174.9 | -89.1 | 0 | 0 | 0 | 113.2 | L499 N502 N508 P524 G531 A532 S567 | L499-Y504 HydrophobicContact CB-CD1 4.2Å; L499-Y504 HydrophobicContact CB-CG 4.16Å; L499-Y504 HydrophobicContact CD1-CD1 4.28Å; L499-Y504 HydrophobicContact CD1-CE1 4.45Å; L499-Y504 HydrophobicContact CD2-CD1 4.06Å; L499-Y504 HydrophobicContact CD2-CD2 3.79Å; L499-Y504 HydrophobicContact CD2-CE1 4.47Å; L499-Y504 HydrophobicContact CD2-CE2 4.2Å; L499-Y504 HydrophobicContact CD2-CG 3.7Å; L499-Y504 HydrophobicContact CG-CD1 4.41Å; L499-Y504 HydrophobicContact CG-CG 4.4Å; L499-Y504 WeakPolarHBondContact O-CB 3.11Å; L499-Y504 PolarHBondContact O-N 2.83Å; N502-Y504 PolarHBondContact O-N 2.81Å; Y504-N508 PolarHBondContact O-ND2 2.93Å; Y504-N508 PolarHBondContact O-OD1 3.04Å; Y504-P524 HydrophobicContact CD1-CG 4.18Å; Y504-P524 HydrophobicContact CE1-CG 3.42Å; Y504-P524 VanDerWaalsContact CE1-CG 3.42Å; Y504-P524 HydrophobicContact CE2-CG 4.03Å; Y504-P524 WeakPolarHBondContact OH-CG 3.26Å; Y504-G531 WeakPolarHBondContact OH-CA 3.46Å; Y504-A532 PolarHBondContact OH-N 2.86Å; Y504-A532 PolarHBondContact OH-O 3.27Å; Y504-S567 VanDerWaalsContact CE1-CB 3.47Å |
| 505 | Y | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.9 | 178.7 | -66.3 | -64.6 | 0 | 0 | 0 | 113.6 | F496 L499 A500 G503 G507 N508 S567 F569 I617 I620 | F496-Y505 AromaticContact CD2-CE2 3.84Å; F496-Y505 HydrophobicContact CD2-CE2 3.84Å; F496-Y505 HydrophobicContact CE2-CE2 4.06Å; L499-Y505 HydrophobicContact CB-CD2 4.23Å; L499-Y505 HydrophobicContact CB-CE2 3.57Å; L499-Y505 HydrophobicContact CD1-CE2 4.46Å; L499-Y505 WeakPolarHBondContact CD1-OH 2.83Å; A500-Y505 HydrophobicContact CB-CD2 3.96Å; A500-Y505 HydrophobicContact CB-CE2 4.36Å; G503-Y505 PolarHBondContact O-N 3.37Å; Y505-G507 PolarHBondContact O-N 2.79Å; Y505-N508 VanDerWaalsContact O-CB 3.31Å; Y505-N508 WeakPolarHBondContact O-CB 3.42Å; Y505-N508 PolarHBondContact O-N 3.41Å; Y505-S567 WeakPolarHBondContact CE1-O 3.49Å; Y505-S567 PolarHBondContact OH-O 2.96Å; Y505-S567 VanDerWaalsContact OH-O 3.11Å; Y505-F569 HydrophobicContact CD1-CE1 4.36Å; Y505-F569 HydrophobicContact CE1-CD1 4.37Å; Y505-F569 HydrophobicContact CE1-CE1 4.03Å; Y505-I617 WeakPolarHBondContact O-CB 3.16Å; Y505-I620 HydrophobicContact CD2-CD1 3.68Å; Y505-I620 HydrophobicContact CG-CD1 3.94Å |
| 506 | N | 90.9 | Very high | 92.3 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 125 | -175.9 | -59.3 | -0 | 0 | 0 | 0 | 109.4 | G503 N508 S619 | G503-N506 WeakPolarHBondContact CA-ND2 3.25Å; G503-N506 VanDerWaalsContact O-CB 3.28Å; G503-N506 WeakPolarHBondContact O-CB 3.18Å; G503-N506 PolarHBondContact O-N 2.85Å; N506-N508 VanDerWaalsContact C-N 3.28Å; N506-S619 WeakPolarHBondContact OD1-CA 3.15Å |
| 507 | G | 92 | Very high | 92.2 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -6.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y505 V509 I617 | Y505-G507 PolarHBondContact O-N 2.79Å; G507-V509 PolarHBondContact O-N 2.96Å; G507-I617 WeakPolarHBondContact CA-O 3.39Å; G507-I617 PolarHBondContact N-O 2.81Å |
| 508 | N | 96.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -66.4 | 128.6 | -179.5 | -70.3 | 8.2 | 0 | 0 | 0 | 110.4 | Y504 Y505 N506 P524 S616 I617 | Y504-N508 PolarHBondContact O-ND2 2.93Å; Y504-N508 PolarHBondContact O-OD1 3.04Å; Y505-N508 VanDerWaalsContact O-CB 3.31Å; Y505-N508 WeakPolarHBondContact O-CB 3.42Å; Y505-N508 PolarHBondContact O-N 3.41Å; N506-N508 VanDerWaalsContact C-N 3.28Å; N508-P524 WeakPolarHBondContact OD1-CA 3.38Å; N508-S616 CarbonylContact O-C 3.53Å; N508-S616 VanDerWaalsContact O-CA 3.29Å; N508-S616 WeakPolarHBondContact O-CA 3.42Å; N508-I617 PolarHBondContact O-N 2.93Å | ||
| 509 | V | 94.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 147.1 | -177.5 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | G507 H511 T521 E614 I615 | G507-V509 PolarHBondContact O-N 2.96Å; V509-H511 HydrophobicContact CG2-CB 4.11Å; V509-H511 PolarHBondContact O-N 2.7Å; V509-H511 PolarHBondContact O-ND1 3.28Å; V509-T521 PolarHBondContact O-OG1 2.91Å; V509-E614 HydrophobicContact CB-CG 4.29Å; V509-E614 HydrophobicContact CG1-CG 3.41Å; V509-E614 VanDerWaalsContact CG1-CG 3.41Å; V509-E614 VanDerWaalsContact CG1-OE1 3.31Å; V509-E614 WeakPolarHBondContact CG1-OE1 3.32Å; V509-I615 CarbonylContact C-O 3.6Å; V509-I615 WeakPolarHBondContact CA-O 3.39Å |
| 510 | F | 97.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -71.9 | 78 | 164.8 | -69.8 | -91.1 | 0 | 0 | 0 | 109.4 | T475 R512 V513 I519 Q520 T521 I599 P611 I615 I617 | T475-F510 HydrophobicContact CG2-CE2 3.91Å; T475-F510 HydrophobicContact CG2-CZ 4.07Å; F510-R512 VanDerWaalsContact C-N 3.26Å; F510-R512 PolarHBondContact O-N 3.22Å; F510-V513 HydrophobicContact CB-CG2 4.29Å; F510-I519 HydrophobicContact CD1-CB 4.15Å; F510-I519 HydrophobicContact CD1-CD1 4.17Å; F510-I519 HydrophobicContact CD1-CG1 4.32Å; F510-I519 HydrophobicContact CE1-CD1 3.79Å; F510-I519 HydrophobicContact CE1-CG1 4.21Å; F510-Q520 CarbonylContact C-O 3.55Å; F510-Q520 VanDerWaalsContact CA-O 3.27Å; F510-Q520 WeakPolarHBondContact CA-O 3.29Å; F510-T521 HydrophobicContact CD1-CG2 4.1Å; F510-T521 HydrophobicContact CE1-CG2 3.75Å; F510-T521 HydrophobicContact CZ-CG2 4.22Å; F510-I599 HydrophobicContact CB-CG2 4.46Å; F510-I599 HydrophobicContact CD1-CG2 4.34Å; F510-I599 HydrophobicContact CE2-CD1 4.15Å; F510-I599 HydrophobicContact CG-CG2 4.23Å; F510-I599 HydrophobicContact CZ-CD1 4.18Å; F510-P611 VanDerWaalsContact O-CD 3.25Å; F510-P611 WeakPolarHBondContact O-CD 3.04Å; F510-P611 WeakPolarHBondContact O-CG 3.46Å; F510-I615 HydrophobicContact CD2-CB 4.21Å; F510-I615 HydrophobicContact CD2-CG2 3.72Å; F510-I615 WeakPolarHBondContact CD2-O 3.43Å; F510-I615 HydrophobicContact CE2-CG2 4.19Å; F510-I615 PolarHBondContact N-O 3.14Å; F510-I617 HydrophobicContact CE2-CG1 4.04Å; F510-I617 HydrophobicContact CZ-CG1 4.27Å | ||
| 511 | H | 94.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | trans | -71.7 | -17.5 | -169.8 | 55.4 | -91.1 | 0 | 0 | 0 | 113.7 | V509 Q520 G526 G528 Q568 R610 | V509-H511 HydrophobicContact CG2-CB 4.11Å; V509-H511 PolarHBondContact O-N 2.7Å; V509-H511 PolarHBondContact O-ND1 3.28Å; H511-Q520 PolarHBondContact N-O 2.82Å; H511-G526 VanDerWaalsContact CB-O 3.26Å; H511-G526 WeakPolarHBondContact CB-O 3.34Å; H511-G528 VanDerWaalsContact CD2-CA 3.41Å; H511-G528 WeakPolarHBondContact CD2-CA 3.36Å; H511-G528 WeakPolarHBondContact NE2-CA 3.34Å; H511-Q568 PolarHBondContact NE2-OE1 3.09Å; H511-R610 WeakPolarHBondContact O-CA 3.21Å | ||
| 512 | R | 95.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 36.6 Ų | 36.6 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 119.1 | 178.5 | -175.6 | -176.7 | -179.2 | -162.8 | 3.4 | 111.2 | F510 I514 Q520 N609 | F510-R512 VanDerWaalsContact C-N 3.26Å; F510-R512 PolarHBondContact O-N 3.22Å; R512-I514 HydrophobicContact CG-CG1 4.42Å; R512-Q520 HydrophobicContact CB-CB 4.19Å; R512-Q520 WeakPolarHBondContact O-CB 3.25Å; R512-Q520 PolarHBondContact O-N 3.02Å; R512-N609 HydrophobicContact CG-CB 4.21Å |
| 513 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 112.2 | -179.2 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | F510 I519 I599 T604 N609 P611 | F510-V513 HydrophobicContact CB-CG2 4.29Å; V513-I519 HydrophobicContact CG1-CG2 4.06Å; V513-I519 HydrophobicContact CG2-CB 4.31Å; V513-I519 HydrophobicContact CG2-CG2 4.07Å; V513-I599 HydrophobicContact CG2-CG2 4.27Å; V513-T604 HydrophobicContact CB-CG2 3.84Å; V513-T604 HydrophobicContact CG1-CG2 4.01Å; V513-N609 PolarHBondContact N-O 3.46Å; V513-N609 WeakPolarHBondContact O-CB 3.37Å; V513-P611 HydrophobicContact CB-CG 4.16Å; V513-P611 HydrophobicContact CG2-CG 3.72Å |
| 514 | I | 93.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.7 | 179.5 | -58 | 174 | 0 | 0 | 0 | 108.4 | R512 S516 F517 I518 N600 N609 | R512-I514 HydrophobicContact CG-CG1 4.42Å; I514-S516 PolarHBondContact O-N 3.09Å; I514-F517 HydrophobicContact CB-CB 4.05Å; I514-F517 HydrophobicContact CB-CD1 4.11Å; I514-F517 HydrophobicContact CD1-CD1 3.89Å; I514-F517 HydrophobicContact CD1-CE1 4.36Å; I514-F517 HydrophobicContact CG2-CB 3.77Å; I514-F517 HydrophobicContact CG2-CD1 4.05Å; I514-F517 HydrophobicContact CG2-CG 4.42Å; I514-F517 PolarHBondContact O-N 3.22Å; I514-I518 HydrophobicContact CB-CG1 4.44Å; I514-I518 HydrophobicContact CD1-CG1 4.37Å; I514-I518 PolarHBondContact N-O 3.21Å; I514-I518 PolarHBondContact O-N 3.33Å; I514-N600 PolarHBondContact O-ND2 3.21Å; I514-N609 HydrophobicContact CG1-CB 4.03Å |
| 515 | K | 92.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 33.9 Ų | 33.9 | 47% | 0.47 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 132.5 | -179.3 | -70.4 | -167.1 | 174.6 | -163.5 | 0 | 111 | F517 | K515-F517 PolarHBondContact O-N 3.19Š|
| 516 | S | 91.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 34.1 Ų | 34.1 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 23.3 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | I514 T574 N600 | I514-S516 PolarHBondContact O-N 3.09Å; S516-T574 WeakPolarHBondContact O-CG2 3.48Å; S516-T574 PolarHBondContact O-OG1 2.91Å; S516-N600 PolarHBondContact N-OD1 2.88Å |
| 517 | F | 96.1 | Very high | 93.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | -76.1 | 176.5 | -176 | -140.3 | 0 | 0 | 0 | 113.2 | I514 K515 T572 V573 A576 H578 L579 | I514-F517 HydrophobicContact CB-CB 4.05Å; I514-F517 HydrophobicContact CB-CD1 4.11Å; I514-F517 HydrophobicContact CD1-CD1 3.89Å; I514-F517 HydrophobicContact CD1-CE1 4.36Å; I514-F517 HydrophobicContact CG2-CB 3.77Å; I514-F517 HydrophobicContact CG2-CD1 4.05Å; I514-F517 HydrophobicContact CG2-CG 4.42Å; I514-F517 PolarHBondContact O-N 3.22Å; K515-F517 PolarHBondContact O-N 3.19Å; F517-T572 WeakPolarHBondContact O-CA 3.34Å; F517-V573 WeakPolarHBondContact O-CG2 3.3Å; F517-V573 PolarHBondContact O-N 2.73Å; F517-A576 HydrophobicContact CD2-CB 4.42Å; F517-A576 HydrophobicContact CE2-CB 3.81Å; F517-H578 AromaticContact CE2-CE1 3.59Å; F517-H578 AromaticContact CE2-NE2 3.56Å; F517-H578 AromaticContact CZ-NE2 3.49Å; F517-H578 WeakPolarHBondContact CZ-NE2 3.34Å; F517-L579 HydrophobicContact CE2-CD1 4.05Å; F517-L579 HydrophobicContact CZ-CD1 3.94Å; F517-L579 HydrophobicContact CZ-CD2 4.41Å; F517-L579 HydrophobicContact CZ-CG 4.49Å |
| 518 | I | 97 | Very high | 93.4 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.8 | -174.2 | 64 | 170.6 | 0 | 0 | 0 | 113.1 | I514 Q520 F570 I571 T572 N600 | I514-I518 HydrophobicContact CB-CG1 4.44Å; I514-I518 HydrophobicContact CD1-CG1 4.37Å; I514-I518 PolarHBondContact N-O 3.21Å; I514-I518 PolarHBondContact O-N 3.33Å; I518-Q520 HydrophobicContact CD1-CB 4.49Å; I518-F570 HydrophobicContact CB-CB 4.22Å; I518-F570 HydrophobicContact CB-CD2 4.24Å; I518-F570 HydrophobicContact CB-CG 4.48Å; I518-F570 HydrophobicContact CD1-CB 4.05Å; I518-F570 HydrophobicContact CD1-CD2 4.48Å; I518-F570 HydrophobicContact CD1-CG 4.13Å; I518-F570 HydrophobicContact CG2-CD2 3.67Å; I518-F570 HydrophobicContact CG2-CE2 4.21Å; I518-F570 HydrophobicContact CG2-CG 4.31Å; I518-I571 VanDerWaalsContact CA-O 3.3Å; I518-I571 WeakPolarHBondContact CA-O 3.17Å; I518-T572 HydrophobicContact CG2-CG2 4.24Å; I518-N600 PolarHBondContact O-ND2 3.44Å |
| 519 | I | 97.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129 | 159 | 62.6 | 172.2 | 0 | 0 | 0 | 108.4 | F510 V513 F570 I571 V596 I599 N600 | F510-I519 HydrophobicContact CD1-CB 4.15Å; F510-I519 HydrophobicContact CD1-CD1 4.17Å; F510-I519 HydrophobicContact CD1-CG1 4.32Å; F510-I519 HydrophobicContact CE1-CD1 3.79Å; F510-I519 HydrophobicContact CE1-CG1 4.21Å; V513-I519 HydrophobicContact CG1-CG2 4.06Å; V513-I519 HydrophobicContact CG2-CB 4.31Å; V513-I519 HydrophobicContact CG2-CG2 4.07Å; I519-F570 CarbonylContact O-C 3.57Å; I519-F570 WeakPolarHBondContact O-CA 3.31Å; I519-F570 VanDerWaalsContact O-CB 3.32Å; I519-F570 WeakPolarHBondContact O-CB 3.29Å; I519-I571 HydrophobicContact CD1-CB 4.33Å; I519-I571 HydrophobicContact CD1-CD1 4.39Å; I519-I571 HydrophobicContact CG1-CB 3.83Å; I519-I571 HydrophobicContact CG1-CG1 4.37Å; I519-I571 PolarHBondContact N-O 2.96Å; I519-I571 PolarHBondContact O-N 3.04Å; I519-V596 HydrophobicContact CD1-CB 4.35Å; I519-V596 HydrophobicContact CD1-CG1 3.74Å; I519-V596 HydrophobicContact CG1-CG1 4.29Å; I519-I599 HydrophobicContact CB-CG2 4.25Å; I519-I599 HydrophobicContact CD1-CB 4.23Å; I519-I599 HydrophobicContact CD1-CD1 4.35Å; I519-I599 HydrophobicContact CD1-CG2 4.03Å; I519-I599 HydrophobicContact CG2-CB 4.45Å; I519-I599 HydrophobicContact CG2-CG2 3.88Å; I519-N600 HydrophobicContact CG2-CB 3.87Å |
| 520 | Q | 98 | Very high | 92.3 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.5 | -173.8 | -178.7 | -179.9 | -15.2 | 0 | 0 | 111 | F510 H511 R512 I518 F569 F570 | F510-Q520 CarbonylContact C-O 3.55Å; F510-Q520 VanDerWaalsContact CA-O 3.27Å; F510-Q520 WeakPolarHBondContact CA-O 3.29Å; H511-Q520 PolarHBondContact N-O 2.82Å; R512-Q520 HydrophobicContact CB-CB 4.19Å; R512-Q520 WeakPolarHBondContact O-CB 3.25Å; R512-Q520 PolarHBondContact O-N 3.02Å; I518-Q520 HydrophobicContact CD1-CB 4.49Å; Q520-F569 WeakPolarHBondContact CA-O 3.44Å; Q520-F570 HydrophobicContact CB-CB 3.98Å; Q520-F570 HydrophobicContact CG-CB 4.29Å |
| 521 | T | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -168.3 | -177.1 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | V509 F510 Q568 F569 I617 | V509-T521 PolarHBondContact O-OG1 2.91Å; F510-T521 HydrophobicContact CD1-CG2 4.1Å; F510-T521 HydrophobicContact CE1-CG2 3.75Å; F510-T521 HydrophobicContact CZ-CG2 4.22Å; T521-Q568 WeakPolarHBondContact O-CA 3.34Å; T521-F569 HydrophobicContact CG2-CD1 4.35Å; T521-F569 HydrophobicContact CG2-CD2 4.46Å; T521-F569 HydrophobicContact CG2-CE1 3.75Å; T521-F569 HydrophobicContact CG2-CE2 3.88Å; T521-F569 HydrophobicContact CG2-CZ 3.48Å; T521-F569 VanDerWaalsContact CG2-CZ 3.48Å; T521-F569 PolarHBondContact N-O 2.96Å; T521-F569 PolarHBondContact O-N 2.84Å; T521-F569 VanDerWaalsContact O-N 3.09Å; T521-I617 HydrophobicContact CG2-CD1 3.94Å |
| 522 | G | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 93.8 | 7.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | S567 | G522-S567 WeakPolarHBondContact O-CB 3.27Å; G522-S567 PolarHBondContact O-OG 2.94Å | ||
| 523 | D | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -101.9 | 112.9 | 172.6 | -179.1 | -5.6 | 0 | 0 | 0 | 110.2 | T525 G526 S527 G528 T529 G530 Q568 | D523-T525 VanDerWaalsContact CG-OG1 3.24Å; D523-T525 PolarHBondContact O-N 2.89Å; D523-T525 WeakPolarHBondContact OD1-CB 3.28Å; D523-T525 PolarHBondContact OD1-N 2.86Å; D523-T525 PolarHBondContact OD1-OG1 2.92Å; D523-T525 PolarHBondContact OD2-OG1 2.83Å; D523-T525 VanDerWaalsContact OD2-OG1 3.11Å; D523-G526 PolarHBondContact O-N 2.79Å; D523-G526 PolarHBondContact OD1-N 3.16Å; D523-S527 PolarHBondContact OD2-N 2.84Å; D523-S527 PolarHBondContact OD2-OG 3.32Å; D523-G528 VanDerWaalsContact OD2-CA 3.31Å; D523-G528 WeakPolarHBondContact OD2-CA 3.33Å; D523-G528 PolarHBondContact OD2-N 2.78Å; D523-T529 PolarHBondContact OD2-N 2.86Å; D523-G530 VanDerWaalsContact CG-C 3.46Å; D523-G530 WeakPolarHBondContact OD1-CA 3.29Å; D523-G530 PolarHBondContact OD2-N 2.74Å; D523-Q568 HydrophobicContact CB-CG 3.95Å | ||
| 524 | P | 86.9 | Confident | 90.9 | Very high | 64 Ų | 64 | 40 Ų | 40 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.5 | 177.7 | -21.5 | 32.8 | 0 | 0 | 0 | 114.8 | Y504 N508 G526 | Y504-P524 HydrophobicContact CD1-CG 4.18Å; Y504-P524 HydrophobicContact CE1-CG 3.42Å; Y504-P524 VanDerWaalsContact CE1-CG 3.42Å; Y504-P524 HydrophobicContact CE2-CG 4.03Å; Y504-P524 WeakPolarHBondContact OH-CG 3.26Å; N508-P524 WeakPolarHBondContact OD1-CA 3.38Å; P524-G526 VanDerWaalsContact C-N 3.3Å |
| 525 | T | 86.2 | Confident | 90.6 | Very high | 97 Ų | 97 | 42.7 Ų | 42.7 | 60% | 0.595 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18 | 174.7 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | D523 S527 | D523-T525 VanDerWaalsContact CG-OG1 3.24Å; D523-T525 PolarHBondContact O-N 2.89Å; D523-T525 WeakPolarHBondContact OD1-CB 3.28Å; D523-T525 PolarHBondContact OD1-N 2.86Å; D523-T525 PolarHBondContact OD1-OG1 2.92Å; D523-T525 PolarHBondContact OD2-OG1 2.83Å; D523-T525 VanDerWaalsContact OD2-OG1 3.11Å; T525-S527 PolarHBondContact O-N 3.45Å; T525-S527 PolarHBondContact OG1-N 2.84Å; T525-S527 PolarHBondContact OG1-OG 3.48Å; T525-S527 VanDerWaalsContact OG1-OG 3.06Å |
| 526 | G | 86.8 | Confident | 90.2 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 64.3 | 10.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H511 D523 P524 R610 | H511-G526 VanDerWaalsContact CB-O 3.26Å; H511-G526 WeakPolarHBondContact CB-O 3.34Å; D523-G526 PolarHBondContact O-N 2.79Å; D523-G526 PolarHBondContact OD1-N 3.16Å; P524-G526 VanDerWaalsContact C-N 3.3Å; G526-R610 PolarHBondContact O-NH1 3.07Å |
| 527 | S | 86.5 | Confident | 89.9 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -79.9 | -21.2 | -179 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | D523 T525 T529 | D523-S527 PolarHBondContact OD2-N 2.84Å; D523-S527 PolarHBondContact OD2-OG 3.32Å; T525-S527 PolarHBondContact O-N 3.45Å; T525-S527 PolarHBondContact OG1-N 2.84Å; T525-S527 PolarHBondContact OG1-OG 3.48Å; T525-S527 VanDerWaalsContact OG1-OG 3.06Å; S527-T529 VanDerWaalsContact C-N 3.32Å; S527-T529 PolarHBondContact OG-N 2.74Å; S527-T529 PolarHBondContact OG-OG1 3.19Å |
| 528 | G | 85.8 | Confident | 89.5 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 86.4 | -1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H511 D523 Q568 | H511-G528 VanDerWaalsContact CD2-CA 3.41Å; H511-G528 WeakPolarHBondContact CD2-CA 3.36Å; H511-G528 WeakPolarHBondContact NE2-CA 3.34Å; D523-G528 VanDerWaalsContact OD2-CA 3.31Å; D523-G528 WeakPolarHBondContact OD2-CA 3.33Å; D523-G528 PolarHBondContact OD2-N 2.78Å; G528-Q568 VanDerWaalsContact C-NE2 3.29Å; G528-Q568 PolarHBondContact O-NE2 3.04Å |
| 529 | T | 84.3 | Confident | 89.1 | Confident | 131 Ų | 131 | 44.4 Ų | 44.4 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -117.7 | -6.2 | -179.6 | 65.9 | 0 | 0 | 0 | 0 | 113 | D523 S527 | D523-T529 PolarHBondContact OD2-N 2.86Å; S527-T529 VanDerWaalsContact C-N 3.32Å; S527-T529 PolarHBondContact OG-N 2.74Å; S527-T529 PolarHBondContact OG-OG1 3.19Å |
| 530 | G | 83.9 | Confident | 88.7 | Confident | 17 Ų | 17 | 48 Ų | 48 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -96.6 | -174.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D523 Q568 | D523-G530 VanDerWaalsContact CG-C 3.46Å; D523-G530 WeakPolarHBondContact OD1-CA 3.29Å; D523-G530 PolarHBondContact OD2-N 2.74Å; G530-Q568 PolarHBondContact O-NE2 3.32Å | ||
| 531 | G | 85.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | trans | 101.5 | 137.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y504 S567 | Y504-G531 WeakPolarHBondContact OH-CA 3.46Å; G531-S567 WeakPolarHBondContact CA-OG 3.22Å | ||
| 532 | A | 89.2 | Confident | 88 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | trans | -136.1 | 149.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y504 S567 | Y504-A532 PolarHBondContact OH-N 2.86Å; Y504-A532 PolarHBondContact OH-O 3.27Å; A532-S567 PolarHBondContact N-OG 2.8Å; A532-S567 WeakPolarHBondContact O-CB 3.36Å | ||
| 533 | S | 92.6 | Very high | 87.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | trans | -65.1 | 168.1 | 171.6 | 80.2 | 0 | 0 | 0 | 0 | 111 | N495 W535 G536 H537 | N495-S533 VanDerWaalsContact OD1-CA 3.25Å; N495-S533 WeakPolarHBondContact OD1-CA 3.17Å; N495-S533 WeakPolarHBondContact OD1-CB 3.38Å; S533-W535 PolarHBondContact O-N 2.91Å; S533-W535 VanDerWaalsContact O-N 3.12Å; S533-W535 PolarHBondContact OG-N 3.49Å; S533-W535 VanDerWaalsContact OG-N 3.13Å; S533-G536 PolarHBondContact O-N 2.68Å; S533-G536 PolarHBondContact OG-N 3.5Å; S533-H537 WeakPolarHBondContact CB-O 3.49Å; S533-H537 PolarHBondContact OG-O 3.4Å | ||
| 534 | M | 87.2 | Confident | 87.5 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.1 | 172.6 | 67.4 | 172.6 | -78.2 | 0 | 0 | 113.6 | E494 N495 T498 L499 | E494-M534 HydrophobicContact CG-SD 4.01Å; N495-M534 HydrophobicContact CB-CG 4.4Å; N495-M534 PolarHBondContact OD1-N 3.02Å; T498-M534 HydrophobicContact CG2-CB 4.46Å; T498-M534 HydrophobicContact CG2-CE 3.79Å; T498-M534 HydrophobicContact CG2-SD 3.99Å; L499-M534 HydrophobicContact CD2-CB 4.14Å; L499-M534 HydrophobicContact CG-CB 4.22Å |
| 535 | W | 86.7 | Confident | 87.3 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 34% | 0.341 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3 | 179.4 | -55.1 | -73.2 | 0 | 0 | 0 | 113.1 | K491 N495 S533 H537 F539 | K491-W535 HydrophobicContact CB-CH2 4.1Å; K491-W535 WeakPolarHBondContact O-CH2 3.48Å; N495-W535 HydrophobicContact CB-CH2 3.87Å; N495-W535 HydrophobicContact CB-CZ3 3.75Å; S533-W535 PolarHBondContact O-N 2.91Å; S533-W535 VanDerWaalsContact O-N 3.12Å; S533-W535 PolarHBondContact OG-N 3.49Å; S533-W535 VanDerWaalsContact OG-N 3.13Å; W535-H537 PolarHBondContact O-N 2.97Å; W535-F539 HydrophobicContact CE3-CB 4.09Å; W535-F539 HydrophobicContact CE3-CD1 4.06Å; W535-F539 HydrophobicContact CE3-CG 4.16Å; W535-F539 HydrophobicContact CZ3-CB 3.94Å; W535-F539 AromaticContact CZ3-CD1 3.69Å; W535-F539 HydrophobicContact CZ3-CD1 3.69Å; W535-F539 HydrophobicContact CZ3-CD2 4.1Å; W535-F539 HydrophobicContact CZ3-CE1 4.18Å; W535-F539 AromaticContact CZ3-CG 3.64Å; W535-F539 HydrophobicContact CZ3-CG 3.64Å |
| 536 | G | 84.3 | Confident | 87.3 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 76.1 | 5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | S533 | S533-G536 PolarHBondContact O-N 2.68Å; S533-G536 PolarHBondContact OG-N 3.5Å |
| 537 | H | 85.9 | Confident | 87.6 | Confident | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -141.8 | 165.8 | 174.5 | 58.5 | 44.7 | 0 | 0 | 0 | 110.7 | S533 W535 | S533-H537 WeakPolarHBondContact CB-O 3.49Å; S533-H537 PolarHBondContact OG-O 3.4Å; W535-H537 PolarHBondContact O-N 2.97Å |
| 538 | D | 86.9 | Confident | 88 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -57.5 | 151.3 | 174.3 | -70.5 | -4.8 | 0 | 0 | 0 | 112.5 | T564 N565 | D538-T564 WeakPolarHBondContact OD2-CB 3.29Å; D538-T564 WeakPolarHBondContact OD2-CG2 3.25Å; D538-N565 WeakPolarHBondContact CA-O 3.2Å | ||
| 539 | F | 88.4 | Confident | 88.4 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 164.8 | 174.7 | 72.7 | -85.8 | 0 | 0 | 0 | 113 | T492 N495 W535 M557 N563 N565 G566 | T492-F539 HydrophobicContact CG2-CZ 4.41Å; N495-F539 HydrophobicContact CB-CE1 4.12Å; N495-F539 HydrophobicContact CB-CZ 4.09Å; N495-F539 WeakPolarHBondContact ND2-CE1 3.33Å; W535-F539 HydrophobicContact CE3-CB 4.09Å; W535-F539 HydrophobicContact CE3-CD1 4.06Å; W535-F539 HydrophobicContact CE3-CG 4.16Å; W535-F539 HydrophobicContact CZ3-CB 3.94Å; W535-F539 AromaticContact CZ3-CD1 3.69Å; W535-F539 HydrophobicContact CZ3-CD1 3.69Å; W535-F539 HydrophobicContact CZ3-CD2 4.1Å; W535-F539 HydrophobicContact CZ3-CE1 4.18Å; W535-F539 AromaticContact CZ3-CG 3.64Å; W535-F539 HydrophobicContact CZ3-CG 3.64Å; F539-M557 HydrophobicContact CE1-CE 4.36Å; F539-M557 HydrophobicContact CZ-CE 4.14Å; F539-N563 CarbonylContact O-C 3.55Å; F539-N565 HydrophobicContact CD1-CB 3.74Å; F539-N565 WeakPolarHBondContact CD1-O 3.16Å; F539-N565 HydrophobicContact CD2-CB 4.07Å; F539-N565 HydrophobicContact CE1-CB 3.41Å; F539-N565 VanDerWaalsContact CE1-CB 3.41Å; F539-N565 WeakPolarHBondContact CE1-O 3.44Å; F539-N565 HydrophobicContact CE2-CB 3.76Å; F539-N565 HydrophobicContact CG-CB 4.06Å; F539-N565 HydrophobicContact CZ-CB 3.42Å; F539-N565 VanDerWaalsContact CZ-CB 3.42Å; F539-N565 PolarHBondContact N-O 2.93Å; F539-N565 VanDerWaalsContact N-O 3.1Å; F539-N565 WeakPolarHBondContact O-CB 3.41Å; F539-N565 PolarHBondContact O-N 3.21Å; F539-N565 PolarHBondContact O-ND2 2.87Å; F539-G566 WeakPolarHBondContact CE1-O 3.49Å |
| 540 | E | 90.6 | Very high | 88.8 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | trans | -67.1 | 160.2 | -170.4 | 68.1 | -99.7 | -127.1 | 0 | 0 | 114.9 | K491 N563 N565 | K491-E540 HydrophobicContact CD-CG 4.46Å; K491-E540 WeakPolarHBondContact CD-OE1 3.28Å; K491-E540 WeakPolarHBondContact CE-OE1 3.1Å; K491-E540 IonicContact NZ-OE1 3.27Å; K491-E540 PolarHBondContact NZ-OE1 3.43Å; K491-E540 IonicContact NZ-OE2 3.54Å; K491-E540 PolarHBondContact NZ-OE2 2.96Å; K491-E540 VanDerWaalsContact NZ-OE2 3.08Å; E540-N563 WeakPolarHBondContact CA-OD1 3.17Å; E540-N563 HydrophobicContact CB-CB 4.49Å; E540-N563 WeakPolarHBondContact CB-OD1 3.31Å; E540-N565 PolarHBondContact O-ND2 2.87Å | ||
| 541 | D | 90 | Very high | 89.2 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | trans | -80.5 | 140.1 | 170.3 | -64.4 | -51.1 | 0 | 0 | 0 | 111.9 | F543 N559 P562 N563 N565 T584 | D541-F543 HydrophobicContact CB-CD1 4.27Å; D541-F543 HydrophobicContact CB-CD2 4.36Å; D541-F543 HydrophobicContact CB-CE1 3.62Å; D541-F543 HydrophobicContact CB-CE2 3.72Å; D541-F543 HydrophobicContact CB-CZ 3.3Å; D541-N559 PolarHBondContact OD1-ND2 3.36Å; D541-P562 WeakPolarHBondContact OD2-CA 3.29Å; D541-N563 PolarHBondContact N-OD1 3.16Å; D541-N563 PolarHBondContact OD2-N 3.46Å; D541-N565 PolarHBondContact OD1-ND2 2.78Å; D541-T584 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 542 | E | 90.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | trans | -115.7 | 78.9 | 179.1 | -64.9 | 177.3 | 122.1 | 0 | 0 | 110.6 | C489 P490 K491 T492 H544 T584 | C489-E542 WeakPolarHBondContact CA-OE2 3.37Å; C489-E542 HydrophobicContact CB-CB 4.04Å; C489-E542 WeakPolarHBondContact CB-OE2 3.31Å; C489-E542 PolarHBondContact SG-O 3.27Å; C489-E542 VanDerWaalsContact SG-O 3.33Å; P490-E542 WeakPolarHBondContact CD-OE1 3.24Å; P490-E542 WeakPolarHBondContact CG-OE1 3.15Å; K491-E542 WeakPolarHBondContact CB-OE1 3.46Å; K491-E542 PolarHBondContact N-OE1 2.9Å; K491-E542 PolarHBondContact N-OE2 3.36Å; T492-E542 VanDerWaalsContact CB-OE2 3.29Å; T492-E542 WeakPolarHBondContact CB-OE2 3.37Å; T492-E542 PolarHBondContact N-OE2 3.42Å; T492-E542 PolarHBondContact OG1-OE2 3.32Å; E542-H544 PolarHBondContact O-N 3.45Å; E542-T584 HydrophobicContact CB-CG2 3.86Å; E542-T584 PolarHBondContact N-OG1 3.26Å | ||
| 543 | F | 89.6 | Confident | 90.1 | Very high | 98 Ų | 98 | 64 Ų | 64 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | trans | -82.2 | 116.5 | -179.4 | -53.7 | -45 | 0 | 0 | 0 | 112.2 | D541 K581 | D541-F543 HydrophobicContact CB-CD1 4.27Å; D541-F543 HydrophobicContact CB-CD2 4.36Å; D541-F543 HydrophobicContact CB-CE1 3.62Å; D541-F543 HydrophobicContact CB-CE2 3.72Å; D541-F543 HydrophobicContact CB-CZ 3.3Å; F543-K581 HydrophobicContact CD2-CB 4.49Å; F543-K581 WeakPolarHBondContact CE2-O 3.09Å; F543-K581 WeakPolarHBondContact CZ-O 3.39Å | ||
| 544 | H | 89 | Confident | 90.3 | Very high | 82 Ų | 82 | 64 Ų | 64 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | trans | -104.4 | 133.2 | 174.6 | -167 | -97.4 | 0 | 0 | 0 | 111.9 | E488 E542 G546 L547 | E488-H544 HydrophobicContact CB-CB 4.03Å; E488-H544 HydrophobicContact CG-CB 4.45Å; E542-H544 PolarHBondContact O-N 3.45Å; H544-G546 PolarHBondContact ND1-N 3.01Å; H544-G546 PolarHBondContact O-N 3.11Å; H544-L547 HydrophobicContact CB-CB 4.35Å; H544-L547 HydrophobicContact CB-CD1 3.95Å; H544-L547 HydrophobicContact CB-CG 4Å; H544-L547 PolarHBondContact O-N 3.03Å | ||
| 545 | P | 83.1 | Confident | 90.9 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 72% | 0.721 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.8 | -176 | -26 | 33.7 | 0 | 0 | 0 | 115.3 | ||
| 546 | G | 86.8 | Confident | 91.4 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 63% | 0.629 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | H544 | H544-G546 PolarHBondContact ND1-N 3.01Å; H544-G546 PolarHBondContact O-N 3.11Å |
| 547 | L | 93.2 | Very high | 92 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | trans | -103.4 | 117.8 | -178.6 | -60.1 | -178.1 | 0 | 0 | 0 | 109.5 | Y485 E488 H544 I585 | Y485-L547 HydrophobicContact CD2-CD1 3.69Å; Y485-L547 HydrophobicContact CD2-CD2 3.69Å; Y485-L547 HydrophobicContact CD2-CG 4.36Å; Y485-L547 HydrophobicContact CE2-CD1 4.36Å; Y485-L547 HydrophobicContact CE2-CD2 3.59Å; Y485-L547 HydrophobicContact CG-CD1 4.23Å; Y485-L547 HydrophobicContact CG-CD2 4.27Å; E488-L547 HydrophobicContact CB-CD1 3.81Å; E488-L547 HydrophobicContact CG-CD1 4.29Å; H544-L547 HydrophobicContact CB-CB 4.35Å; H544-L547 HydrophobicContact CB-CD1 3.95Å; H544-L547 HydrophobicContact CB-CG 4Å; H544-L547 PolarHBondContact O-N 3.03Å; L547-I585 HydrophobicContact CB-CB 4.06Å; L547-I585 HydrophobicContact CB-CD1 4.18Å; L547-I585 HydrophobicContact CB-CG2 4.11Å; L547-I585 HydrophobicContact CD1-CB 4.48Å; L547-I585 HydrophobicContact CD1-CG2 4.35Å; L547-I585 WeakPolarHBondContact CD1-O 3.23Å | ||
| 548 | K | 93.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 49 Ų | 49 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | trans | -139.6 | 152.7 | -178.1 | -61.6 | -176.3 | -177 | 177.6 | 0 | 110.8 | D550 I585 | K548-D550 HydrophobicContact CB-CB 4.22Å; K548-D550 PolarHBondContact O-N 2.87Å; K548-I585 VanDerWaalsContact CA-CD1 3.46Å | ||
| 549 | H | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -79.1 | 46.6 | 172.5 | -58.8 | 88.9 | 0 | 0 | 0 | 111 | S556 P575 A576 A577 D580 I585 | H549-S556 VanDerWaalsContact NE2-CB 3.35Å; H549-S556 WeakPolarHBondContact NE2-CB 3.26Å; H549-S556 PolarHBondContact NE2-OG 3.26Å; H549-P575 CarbonylContact O-C 3.53Å; H549-P575 WeakPolarHBondContact O-CA 3.4Å; H549-A576 HydrophobicContact CB-CB 4.11Å; H549-A576 WeakPolarHBondContact CB-O 3.45Å; H549-A576 PolarHBondContact O-N 3.34Å; H549-A577 PolarHBondContact O-N 3.2Å; H549-D580 IonicContact CE1-OD1 3.65Å; H549-D580 IonicContact CG-OD1 3.89Å; H549-D580 PolarHBondContact N-OD1 3.29Å; H549-D580 IonicContact ND1-OD1 3.48Å; H549-D580 PolarHBondContact ND1-OD1 3.26Å; H549-I585 VanDerWaalsContact CE1-CG1 3.45Å; H549-I585 WeakPolarHBondContact CE1-CG1 3.45Å |
| 550 | D | 92.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 51.9 Ų | 51.9 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | trans | -85.1 | -8.6 | -173 | 70.7 | -16 | 0 | 0 | 0 | 113.8 | K548 | K548-D550 HydrophobicContact CB-CB 4.22Å; K548-D550 PolarHBondContact O-N 2.87Å | ||
| 551 | R | 92.9 | Very high | 91.9 | Very high | 128 Ų | 128 | 49.4 Ų | 49.4 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -144.6 | 161.2 | -174.1 | 68.9 | -169.3 | 71.7 | -166.6 | -1.6 | 111 | V554 T572 L588 | R551-V554 HydrophobicContact CG-CG2 3.84Å; R551-V554 WeakPolarHBondContact O-CG2 3.17Å; R551-T572 PolarHBondContact O-OG1 3.11Å; R551-L588 HydrophobicContact CG-CD1 4.34Å |
| 552 | P | 95.4 | Very high | 91.6 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 164 | 169.2 | 30.8 | -37.8 | 0 | 0 | 0 | 111.7 | V554 V573 | P552-V554 VanDerWaalsContact C-N 3.34Å; P552-V554 PolarHBondContact O-N 3.45Å; P552-V573 WeakPolarHBondContact CB-O 3.38Å |
| 553 | F | 97.5 | Very high | 91.4 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 20.8 | 172.8 | -39.4 | -65.3 | 0 | 0 | 0 | 116.4 | T572 L588 V589 M593 V596 Q597 | F553-T572 WeakPolarHBondContact CA-O 3.29Å; F553-T572 PolarHBondContact N-O 3.1Å; F553-T572 PolarHBondContact N-OG1 2.93Å; F553-L588 WeakPolarHBondContact O-CD1 3.25Å; F553-V589 HydrophobicContact CB-CB 3.87Å; F553-V589 HydrophobicContact CB-CG2 4.22Å; F553-V589 PolarHBondContact O-N 2.77Å; F553-M593 HydrophobicContact CD1-CB 4.31Å; F553-M593 HydrophobicContact CD1-CG 4.23Å; F553-M593 HydrophobicContact CD2-CB 4.43Å; F553-M593 HydrophobicContact CD2-CG 3.78Å; F553-M593 HydrophobicContact CE1-CB 3.84Å; F553-M593 HydrophobicContact CE1-CG 4.18Å; F553-M593 HydrophobicContact CE2-CB 3.98Å; F553-M593 HydrophobicContact CE2-CG 3.72Å; F553-M593 HydrophobicContact CG-CG 4.04Å; F553-M593 HydrophobicContact CZ-CB 3.66Å; F553-M593 HydrophobicContact CZ-CG 3.92Å; F553-V596 HydrophobicContact CD1-CB 4.26Å; F553-V596 HydrophobicContact CD1-CG1 3.99Å; F553-V596 HydrophobicContact CE1-CB 4.37Å; F553-V596 HydrophobicContact CE1-CG1 4.28Å; F553-Q597 HydrophobicContact CE1-CG 4.13Å; F553-Q597 HydrophobicContact CZ-CG 4.33Å |
| 554 | V | 97.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.4 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | R551 P552 I571 T572 I585 L588 | R551-V554 HydrophobicContact CG-CG2 3.84Å; R551-V554 WeakPolarHBondContact O-CG2 3.17Å; P552-V554 VanDerWaalsContact C-N 3.34Å; P552-V554 PolarHBondContact O-N 3.45Å; V554-I571 WeakPolarHBondContact O-CA 3.44Å; V554-T572 HydrophobicContact CB-CG2 4.44Å; V554-T572 PolarHBondContact N-OG1 3.21Å; V554-T572 PolarHBondContact O-N 3.31Å; V554-I585 HydrophobicContact CG1-CB 4.2Å; V554-I585 HydrophobicContact CG1-CD1 4Å; V554-I585 HydrophobicContact CG1-CG1 3.75Å; V554-I585 HydrophobicContact CG1-CG2 3.47Å; V554-I585 VanDerWaalsContact CG1-CG2 3.47Å; V554-L588 HydrophobicContact CG2-CD1 3.97Å |
| 555 | M | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.4 | 172.6 | -59.3 | 177.5 | 66.4 | 0 | 0 | 109.8 | I473 C482 F496 F569 F570 I571 I585 F586 G587 | I473-M555 HydrophobicContact CD1-CE 4.12Å; C482-M555 HydrophobicContact CB-SD 3.46Å; C482-M555 WeakPolarHBondContact CB-SD 3.43Å; C482-M555 PolarHBondContact SG-SD 3.46Å; F496-M555 HydrophobicContact CE2-CE 4.39Å; F496-M555 HydrophobicContact CZ-CE 4.2Å; M555-F569 HydrophobicContact CE-CD2 4.13Å; M555-F569 HydrophobicContact CE-CE2 3.86Å; M555-F570 WeakPolarHBondContact CA-O 3.29Å; M555-I571 HydrophobicContact CG-CG1 4.2Å; M555-I585 WeakPolarHBondContact O-CA 3.4Å; M555-F586 HydrophobicContact CB-CE1 4.19Å; M555-F586 HydrophobicContact CB-CZ 4.2Å; M555-F586 HydrophobicContact CE-CE2 3.72Å; M555-F586 HydrophobicContact CE-CZ 3.73Å; M555-F586 PolarHBondContact O-N 3.49Å; M555-F586 VanDerWaalsContact O-N 3.07Å; M555-G587 PolarHBondContact N-O 2.73Å |
| 556 | S | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 146.9 | -178.6 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | H549 F569 F570 H583 T584 | H549-S556 VanDerWaalsContact NE2-CB 3.35Å; H549-S556 WeakPolarHBondContact NE2-CB 3.26Å; H549-S556 PolarHBondContact NE2-OG 3.26Å; S556-F569 CarbonylContact O-C 3.57Å; S556-F569 VanDerWaalsContact O-CA 3.3Å; S556-F569 WeakPolarHBondContact O-CA 3.43Å; S556-F569 WeakPolarHBondContact O-CB 3.5Å; S556-F570 PolarHBondContact N-O 2.74Å; S556-F570 PolarHBondContact O-N 2.96Å; S556-H583 WeakPolarHBondContact OG-CB 3.49Å; S556-T584 CarbonylContact C-O 3.59Å; S556-T584 VanDerWaalsContact CA-O 3.23Å; S556-T584 WeakPolarHBondContact CA-O 3.49Å; S556-T584 PolarHBondContact OG-O 3.46Å |
| 557 | M | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140 | 178.2 | -67.4 | -57 | -64.9 | 0 | 0 | 111.8 | T492 F539 N565 G566 Q568 F569 F570 H583 T584 F586 | T492-M557 HydrophobicContact CG2-CG 3.45Å; T492-M557 VanDerWaalsContact CG2-CG 3.45Å; T492-M557 HydrophobicContact CG2-SD 3.69Å; F539-M557 HydrophobicContact CE1-CE 4.36Å; F539-M557 HydrophobicContact CZ-CE 4.14Å; M557-N565 VanDerWaalsContact CB-OD1 3.22Å; M557-N565 WeakPolarHBondContact CB-OD1 3.3Å; M557-N565 HydrophobicContact CE-CB 4.23Å; M557-G566 WeakPolarHBondContact CE-O 3.45Å; M557-Q568 WeakPolarHBondContact CE-O 3.46Å; M557-F569 HydrophobicContact SD-CB 4.27Å; M557-F570 WeakPolarHBondContact O-CE1 3.43Å; M557-H583 WeakPolarHBondContact O-CB 3.27Å; M557-H583 PolarHBondContact O-ND1 2.88Å; M557-H583 VanDerWaalsContact O-ND1 3.16Å; M557-T584 PolarHBondContact N-O 3.33Å; M557-F586 HydrophobicContact CG-CD1 4.05Å; M557-F586 HydrophobicContact CG-CE1 4.2Å; M557-F586 HydrophobicContact SD-CD1 4.02Å; M557-F586 HydrophobicContact SD-CE1 3.68Å; M557-F586 HydrophobicContact SD-CZ 4.32Å |
| 558 | A | 93.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q568 F570 | A558-Q568 HydrophobicContact CB-CB 3.81Å; A558-Q568 PolarHBondContact N-O 2.82Å; A558-F570 HydrophobicContact CB-CD1 4.14Å |
| 559 | N | 90.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 164.4 | 179.5 | 63.6 | 30.7 | 0 | 0 | 0 | 110.4 | D541 G561 T564 K582 H583 | D541-N559 PolarHBondContact OD1-ND2 3.36Å; N559-G561 VanDerWaalsContact C-N 3.32Å; N559-G561 VanDerWaalsContact CG-O 3.3Å; N559-G561 PolarHBondContact OD1-N 2.98Å; N559-G561 PolarHBondContact OD1-O 3.19Å; N559-T564 WeakPolarHBondContact CB-O 3.37Å; N559-K582 PolarHBondContact ND2-O 3.49Å; N559-H583 PolarHBondContact OD1-CE1 3.23Å; N559-H583 PolarHBondContact OD1-ND1 2.84Å |
| 560 | C | 82 | Confident | 93.2 | Very high | 133 Ų | 133 | 36 Ų | 36 | 90% | 0.899 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -95 | 13.4 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | T564 | C560-T564 WeakPolarHBondContact CA-OG1 3.39Å; C560-T564 PolarHBondContact N-OG1 3.3Å |
| 561 | G | 82.3 | Confident | 93.5 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 138.7 | 178.9 | -169 | 0 | 0 | 0 | 0 | 0 | 111.5 | N559 N563 T564 | N559-G561 VanDerWaalsContact C-N 3.32Å; N559-G561 VanDerWaalsContact CG-O 3.3Å; N559-G561 PolarHBondContact OD1-N 2.98Å; N559-G561 PolarHBondContact OD1-O 3.19Å; G561-N563 PolarHBondContact O-N 3.44Å; G561-T564 PolarHBondContact N-OG1 3.29Å; G561-T564 VanDerWaalsContact N-OG1 3.07Å; G561-T564 PolarHBondContact O-N 3.43Å; G561-T564 PolarHBondContact O-OG1 3.47Å |
| 562 | P | 84.6 | Confident | 93.7 | Very high | 106 Ų | 106 | 26 Ų | 26 | 69% | 0.688 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.6 | -178.9 | -25.1 | 34.3 | 0 | 0 | 0 | 112.4 | D541 T564 | D541-P562 WeakPolarHBondContact OD2-CA 3.29Å; P562-T564 VanDerWaalsContact C-N 3.28Å; P562-T564 PolarHBondContact O-N 2.87Å |
| 563 | N | 85.4 | Confident | 93.7 | Very high | 86 Ų | 86 | 24.9 Ų | 24.9 | 46% | 0.46 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 31.7 | 176.5 | -51.8 | -50.2 | 0 | 0 | 0 | 115 | F539 E540 D541 G561 | F539-N563 CarbonylContact O-C 3.55Å; E540-N563 WeakPolarHBondContact CA-OD1 3.17Å; E540-N563 HydrophobicContact CB-CB 4.49Å; E540-N563 WeakPolarHBondContact CB-OD1 3.31Å; D541-N563 PolarHBondContact N-OD1 3.16Å; D541-N563 PolarHBondContact OD2-N 3.46Å; G561-N563 PolarHBondContact O-N 3.44Å |
| 564 | T | 90.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | trans | -114.1 | 41.2 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 112 | D538 N559 C560 G561 P562 | D538-T564 WeakPolarHBondContact OD2-CB 3.29Å; D538-T564 WeakPolarHBondContact OD2-CG2 3.25Å; N559-T564 WeakPolarHBondContact CB-O 3.37Å; C560-T564 WeakPolarHBondContact CA-OG1 3.39Å; C560-T564 PolarHBondContact N-OG1 3.3Å; G561-T564 PolarHBondContact N-OG1 3.29Å; G561-T564 VanDerWaalsContact N-OG1 3.07Å; G561-T564 PolarHBondContact O-N 3.43Å; G561-T564 PolarHBondContact O-OG1 3.47Å; P562-T564 VanDerWaalsContact C-N 3.28Å; P562-T564 PolarHBondContact O-N 2.87Å | ||
| 565 | N | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.1 | 179.9 | -65.8 | -54.1 | 0 | 0 | 0 | 110.5 | D538 F539 E540 D541 M557 | D538-N565 WeakPolarHBondContact CA-O 3.2Å; F539-N565 HydrophobicContact CD1-CB 3.74Å; F539-N565 WeakPolarHBondContact CD1-O 3.16Å; F539-N565 HydrophobicContact CD2-CB 4.07Å; F539-N565 HydrophobicContact CE1-CB 3.41Å; F539-N565 VanDerWaalsContact CE1-CB 3.41Å; F539-N565 WeakPolarHBondContact CE1-O 3.44Å; F539-N565 HydrophobicContact CE2-CB 3.76Å; F539-N565 HydrophobicContact CG-CB 4.06Å; F539-N565 HydrophobicContact CZ-CB 3.42Å; F539-N565 VanDerWaalsContact CZ-CB 3.42Å; F539-N565 PolarHBondContact N-O 2.93Å; F539-N565 VanDerWaalsContact N-O 3.1Å; F539-N565 WeakPolarHBondContact O-CB 3.41Å; F539-N565 PolarHBondContact O-N 3.21Å; F539-N565 PolarHBondContact O-ND2 2.87Å; E540-N565 PolarHBondContact O-ND2 2.87Å; D541-N565 PolarHBondContact OD1-ND2 2.78Å; M557-N565 VanDerWaalsContact CB-OD1 3.22Å; M557-N565 WeakPolarHBondContact CB-OD1 3.3Å; M557-N565 HydrophobicContact CE-CB 4.23Å |
| 566 | G | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -123.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N495 F539 M557 | N495-G566 PolarHBondContact ND2-O 2.97Å; F539-G566 WeakPolarHBondContact CE1-O 3.49Å; M557-G566 WeakPolarHBondContact CE-O 3.45Å |
| 567 | S | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -15.7 | 174.1 | 58 | 0 | 0 | 0 | 0 | 114 | Y504 Y505 G522 G531 A532 | Y504-S567 VanDerWaalsContact CE1-CB 3.47Å; Y505-S567 WeakPolarHBondContact CE1-O 3.49Å; Y505-S567 PolarHBondContact OH-O 2.96Å; Y505-S567 VanDerWaalsContact OH-O 3.11Å; G522-S567 WeakPolarHBondContact O-CB 3.27Å; G522-S567 PolarHBondContact O-OG 2.94Å; G531-S567 WeakPolarHBondContact CA-OG 3.22Å; A532-S567 PolarHBondContact N-OG 2.8Å; A532-S567 WeakPolarHBondContact O-CB 3.36Å |
| 568 | Q | 98.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 140.1 | -175.4 | -66.4 | -167.5 | 43 | 0 | 0 | 111.8 | H511 T521 D523 G528 G530 M557 A558 | H511-Q568 PolarHBondContact NE2-OE1 3.09Å; T521-Q568 WeakPolarHBondContact O-CA 3.34Å; D523-Q568 HydrophobicContact CB-CG 3.95Å; G528-Q568 VanDerWaalsContact C-NE2 3.29Å; G528-Q568 PolarHBondContact O-NE2 3.04Å; G530-Q568 PolarHBondContact O-NE2 3.32Å; M557-Q568 WeakPolarHBondContact CE-O 3.46Å; A558-Q568 HydrophobicContact CB-CB 3.81Å; A558-Q568 PolarHBondContact N-O 2.82Å |
| 569 | F | 98.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.8 | 175.2 | 69.5 | -85.2 | 0 | 0 | 0 | 110.9 | I473 F496 Y505 Q520 T521 M555 S556 M557 I571 F586 | I473-F569 HydrophobicContact CD1-CE2 4.29Å; I473-F569 HydrophobicContact CD1-CZ 4.19Å; F496-F569 HydrophobicContact CD2-CD1 4.39Å; F496-F569 HydrophobicContact CD2-CE1 4.25Å; F496-F569 HydrophobicContact CE2-CD1 4.24Å; F496-F569 AromaticContact CE2-CE1 3.7Å; F496-F569 HydrophobicContact CE2-CE1 3.7Å; F496-F569 AromaticContact CE2-CZ 3.88Å; F496-F569 HydrophobicContact CE2-CZ 3.88Å; Y505-F569 HydrophobicContact CD1-CE1 4.36Å; Y505-F569 HydrophobicContact CE1-CD1 4.37Å; Y505-F569 HydrophobicContact CE1-CE1 4.03Å; Q520-F569 WeakPolarHBondContact CA-O 3.44Å; T521-F569 HydrophobicContact CG2-CD1 4.35Å; T521-F569 HydrophobicContact CG2-CD2 4.46Å; T521-F569 HydrophobicContact CG2-CE1 3.75Å; T521-F569 HydrophobicContact CG2-CE2 3.88Å; T521-F569 HydrophobicContact CG2-CZ 3.48Å; T521-F569 VanDerWaalsContact CG2-CZ 3.48Å; T521-F569 PolarHBondContact N-O 2.96Å; T521-F569 PolarHBondContact O-N 2.84Å; T521-F569 VanDerWaalsContact O-N 3.09Å; M555-F569 HydrophobicContact CE-CD2 4.13Å; M555-F569 HydrophobicContact CE-CE2 3.86Å; S556-F569 CarbonylContact O-C 3.57Å; S556-F569 VanDerWaalsContact O-CA 3.3Å; S556-F569 WeakPolarHBondContact O-CA 3.43Å; S556-F569 WeakPolarHBondContact O-CB 3.5Å; M557-F569 HydrophobicContact SD-CB 4.27Å; F569-I571 HydrophobicContact CE2-CG1 4.43Å; F569-F586 HydrophobicContact CB-CE1 3.87Å; F569-F586 HydrophobicContact CB-CZ 3.99Å; F569-F586 HydrophobicContact CD2-CZ 4.19Å; F569-F586 HydrophobicContact CG-CE1 4.4Å; F569-F586 HydrophobicContact CG-CZ 4.03Å |
| 570 | F | 98.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.5 | 175.7 | 60.6 | -96.4 | 0 | 0 | 0 | 112.2 | I518 I519 Q520 M555 S556 M557 A558 T572 L579 H583 | I518-F570 HydrophobicContact CB-CB 4.22Å; I518-F570 HydrophobicContact CB-CD2 4.24Å; I518-F570 HydrophobicContact CB-CG 4.48Å; I518-F570 HydrophobicContact CD1-CB 4.05Å; I518-F570 HydrophobicContact CD1-CD2 4.48Å; I518-F570 HydrophobicContact CD1-CG 4.13Å; I518-F570 HydrophobicContact CG2-CD2 3.67Å; I518-F570 HydrophobicContact CG2-CE2 4.21Å; I518-F570 HydrophobicContact CG2-CG 4.31Å; I519-F570 CarbonylContact O-C 3.57Å; I519-F570 WeakPolarHBondContact O-CA 3.31Å; I519-F570 VanDerWaalsContact O-CB 3.32Å; I519-F570 WeakPolarHBondContact O-CB 3.29Å; Q520-F570 HydrophobicContact CB-CB 3.98Å; Q520-F570 HydrophobicContact CG-CB 4.29Å; M555-F570 WeakPolarHBondContact CA-O 3.29Å; S556-F570 PolarHBondContact N-O 2.74Å; S556-F570 PolarHBondContact O-N 2.96Å; M557-F570 WeakPolarHBondContact O-CE1 3.43Å; A558-F570 HydrophobicContact CB-CD1 4.14Å; F570-T572 HydrophobicContact CD2-CG2 4.32Å; F570-T572 HydrophobicContact CE2-CG2 4.13Å; F570-L579 HydrophobicContact CE2-CD1 3.73Å; F570-L579 HydrophobicContact CZ-CD1 3.74Å; F570-H583 HydrophobicContact CE1-CB 4.32Å; F570-H583 HydrophobicContact CZ-CB 4.07Å |
| 571 | I | 98.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.9 | 172.4 | -51.1 | -177.6 | 0 | 0 | 0 | 107.9 | I480 I518 I519 V554 M555 F569 V589 V596 | I480-I571 HydrophobicContact CG2-CD1 4.42Å; I518-I571 VanDerWaalsContact CA-O 3.3Å; I518-I571 WeakPolarHBondContact CA-O 3.17Å; I519-I571 HydrophobicContact CD1-CB 4.33Å; I519-I571 HydrophobicContact CD1-CD1 4.39Å; I519-I571 HydrophobicContact CG1-CB 3.83Å; I519-I571 HydrophobicContact CG1-CG1 4.37Å; I519-I571 PolarHBondContact N-O 2.96Å; I519-I571 PolarHBondContact O-N 3.04Å; V554-I571 WeakPolarHBondContact O-CA 3.44Å; M555-I571 HydrophobicContact CG-CG1 4.2Å; F569-I571 HydrophobicContact CE2-CG1 4.43Å; I571-V589 HydrophobicContact CD1-CG2 4.1Å; I571-V589 HydrophobicContact CG2-CG2 3.88Å; I571-V596 HydrophobicContact CB-CG1 4.46Å; I571-V596 HydrophobicContact CD1-CG2 4.45Å; I571-V596 HydrophobicContact CG2-CG1 3.9Å; I571-V596 HydrophobicContact CG2-CG2 4.45Å |
| 572 | T | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 147.2 | 175.8 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | F517 I518 R551 F553 V554 F570 T574 A576 | F517-T572 WeakPolarHBondContact O-CA 3.34Å; I518-T572 HydrophobicContact CG2-CG2 4.24Å; R551-T572 PolarHBondContact O-OG1 3.11Å; F553-T572 WeakPolarHBondContact CA-O 3.29Å; F553-T572 PolarHBondContact N-O 3.1Å; F553-T572 PolarHBondContact N-OG1 2.93Å; V554-T572 HydrophobicContact CB-CG2 4.44Å; V554-T572 PolarHBondContact N-OG1 3.21Å; V554-T572 PolarHBondContact O-N 3.31Å; F570-T572 HydrophobicContact CD2-CG2 4.32Å; F570-T572 HydrophobicContact CE2-CG2 4.13Å; T572-T574 WeakPolarHBondContact CB-O 3.31Å; T572-A576 HydrophobicContact CG2-CB 4.22Å |
| 573 | V | 96.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -112.7 | -6.3 | 167.4 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | F517 P552 V596 N600 | F517-V573 WeakPolarHBondContact O-CG2 3.3Å; F517-V573 PolarHBondContact O-N 2.73Å; P552-V573 WeakPolarHBondContact CB-O 3.38Å; V573-V596 HydrophobicContact CG1-CG1 3.81Å; V573-N600 HydrophobicContact CG1-CB 3.85Å; V573-N600 HydrophobicContact CG2-CB 4.48Å |
| 574 | T | 92.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 28% | 0.276 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -141.8 | 158.8 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | S516 T572 A576 | S516-T574 WeakPolarHBondContact O-CG2 3.48Å; S516-T574 PolarHBondContact O-OG1 2.91Å; T572-T574 WeakPolarHBondContact CB-O 3.31Å; T574-A576 PolarHBondContact O-N 3.01Å |
| 575 | P | 94.5 | Very high | 94 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 53% | 0.532 | 19% | 0.191 | S | C | . | . | trans | -55.6 | 133.9 | 170.5 | -25 | 34.5 | 0 | 0 | 0 | 111.8 | H549 | H549-P575 CarbonylContact O-C 3.53Å; H549-P575 WeakPolarHBondContact O-CA 3.4Å | ||
| 576 | A | 92.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -136.4 | 48.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F517 H549 T572 T574 H578 L579 | F517-A576 HydrophobicContact CD2-CB 4.42Å; F517-A576 HydrophobicContact CE2-CB 3.81Å; H549-A576 HydrophobicContact CB-CB 4.11Å; H549-A576 WeakPolarHBondContact CB-O 3.45Å; H549-A576 PolarHBondContact O-N 3.34Å; T572-A576 HydrophobicContact CG2-CB 4.22Å; T574-A576 PolarHBondContact O-N 3.01Å; A576-H578 PolarHBondContact O-N 3.38Å; A576-L579 HydrophobicContact CB-CD1 3.78Å; A576-L579 HydrophobicContact CB-CG 4.15Å; A576-L579 WeakPolarHBondContact O-CB 3.36Å; A576-L579 WeakPolarHBondContact O-CG 3.19Å; A576-L579 PolarHBondContact O-N 3.41Å | ||
| 577 | A | 90.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 53% | 0.529 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -53.8 | -20.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H549 L579 D580 | H549-A577 PolarHBondContact O-N 3.2Å; A577-L579 PolarHBondContact O-N 3.07Å; A577-D580 WeakPolarHBondContact O-CB 3.45Å; A577-D580 PolarHBondContact O-N 3.08Å; A577-D580 VanDerWaalsContact O-N 3.17Å |
| 578 | H | 90.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 37.5 Ų | 37.5 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -68.1 | -11.1 | 175.1 | 62.1 | -88.5 | 0 | 0 | 0 | 114.3 | F517 A576 K582 | F517-H578 AromaticContact CE2-CE1 3.59Å; F517-H578 AromaticContact CE2-NE2 3.56Å; F517-H578 AromaticContact CZ-NE2 3.49Å; F517-H578 WeakPolarHBondContact CZ-NE2 3.34Å; A576-H578 PolarHBondContact O-N 3.38Å; H578-K582 PolarHBondContact O-NZ 3.45Å; H578-K582 VanDerWaalsContact O-NZ 3.1Å |
| 579 | L | 92.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -92.5 | -10.7 | 174.9 | -57.5 | -177.3 | 0 | 0 | 0 | 113 | F517 F570 A576 A577 K582 H583 | F517-L579 HydrophobicContact CE2-CD1 4.05Å; F517-L579 HydrophobicContact CZ-CD1 3.94Å; F517-L579 HydrophobicContact CZ-CD2 4.41Å; F517-L579 HydrophobicContact CZ-CG 4.49Å; F570-L579 HydrophobicContact CE2-CD1 3.73Å; F570-L579 HydrophobicContact CZ-CD1 3.74Å; A576-L579 HydrophobicContact CB-CD1 3.78Å; A576-L579 HydrophobicContact CB-CG 4.15Å; A576-L579 WeakPolarHBondContact O-CB 3.36Å; A576-L579 WeakPolarHBondContact O-CG 3.19Å; A576-L579 PolarHBondContact O-N 3.41Å; A577-L579 PolarHBondContact O-N 3.07Å; L579-K582 WeakPolarHBondContact O-CB 3.26Å; L579-K582 PolarHBondContact O-N 3.2Å; L579-K582 VanDerWaalsContact O-N 3.14Å; L579-H583 PolarHBondContact O-N 3.4Å |
| 580 | D | 89.5 | Confident | 94.2 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 138.9 | 178.7 | -70.5 | -16.2 | 0 | 0 | 0 | 111.2 | H549 A577 K582 | H549-D580 IonicContact CE1-OD1 3.65Å; H549-D580 IonicContact CG-OD1 3.89Å; H549-D580 PolarHBondContact N-OD1 3.29Å; H549-D580 IonicContact ND1-OD1 3.48Å; H549-D580 PolarHBondContact ND1-OD1 3.26Å; A577-D580 WeakPolarHBondContact O-CB 3.45Å; A577-D580 PolarHBondContact O-N 3.08Å; A577-D580 VanDerWaalsContact O-N 3.17Å; D580-K582 PolarHBondContact O-N 3.11Å |
| 581 | K | 86.2 | Confident | 94.1 | Very high | 173 Ų | 173 | 47 Ų | 47 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.1 | -176 | -52.6 | -179.4 | 177.7 | -177.5 | 0 | 114.7 | F543 | F543-K581 HydrophobicContact CD2-CB 4.49Å; F543-K581 WeakPolarHBondContact CE2-O 3.09Å; F543-K581 WeakPolarHBondContact CZ-O 3.39Å |
| 582 | K | 86.1 | Confident | 93.9 | Very high | 119 Ų | 119 | 47 Ų | 47 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -32.5 | 170.6 | -62.6 | 178 | -176.1 | 164 | 0 | 111.9 | N559 H578 L579 D580 | N559-K582 PolarHBondContact ND2-O 3.49Å; H578-K582 PolarHBondContact O-NZ 3.45Å; H578-K582 VanDerWaalsContact O-NZ 3.1Å; L579-K582 WeakPolarHBondContact O-CB 3.26Å; L579-K582 PolarHBondContact O-N 3.2Å; L579-K582 VanDerWaalsContact O-N 3.14Å; D580-K582 PolarHBondContact O-N 3.11Å |
| 583 | H | 94.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -128.8 | 134.8 | -178.4 | -60 | -72.1 | 0 | 0 | 0 | 110.3 | S556 M557 N559 F570 L579 I585 | S556-H583 WeakPolarHBondContact OG-CB 3.49Å; M557-H583 WeakPolarHBondContact O-CB 3.27Å; M557-H583 PolarHBondContact O-ND1 2.88Å; M557-H583 VanDerWaalsContact O-ND1 3.16Å; N559-H583 PolarHBondContact OD1-CE1 3.23Å; N559-H583 PolarHBondContact OD1-ND1 2.84Å; F570-H583 HydrophobicContact CE1-CB 4.32Å; F570-H583 HydrophobicContact CZ-CB 4.07Å; L579-H583 PolarHBondContact O-N 3.4Å; H583-I585 PolarHBondContact O-N 2.8Å |
| 584 | T | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -74.9 | 116.5 | -178.9 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | C489 T492 D541 E542 S556 M557 | C489-T584 HydrophobicContact CB-CG2 4.24Å; T492-T584 HydrophobicContact CG2-CG2 4.14Å; T492-T584 WeakPolarHBondContact OG1-CG2 3.23Å; D541-T584 WeakPolarHBondContact CA-OG1 3.35Å; E542-T584 HydrophobicContact CB-CG2 3.86Å; E542-T584 PolarHBondContact N-OG1 3.26Å; S556-T584 CarbonylContact C-O 3.59Å; S556-T584 VanDerWaalsContact CA-O 3.23Å; S556-T584 WeakPolarHBondContact CA-O 3.49Å; S556-T584 PolarHBondContact OG-O 3.46Å; M557-T584 PolarHBondContact N-O 3.33Å | ||
| 585 | I | 98 | Very high | 94.2 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.8 | 172.3 | -64.2 | 166.4 | 0 | 0 | 0 | 108.6 | Y485 C489 L547 K548 H549 V554 M555 H583 | Y485-I585 HydrophobicContact CD2-CG2 4.31Å; Y485-I585 HydrophobicContact CE2-CG2 4.06Å; C489-I585 PolarHBondContact SG-O 3.26Å; L547-I585 HydrophobicContact CB-CB 4.06Å; L547-I585 HydrophobicContact CB-CD1 4.18Å; L547-I585 HydrophobicContact CB-CG2 4.11Å; L547-I585 HydrophobicContact CD1-CB 4.48Å; L547-I585 HydrophobicContact CD1-CG2 4.35Å; L547-I585 WeakPolarHBondContact CD1-O 3.23Å; K548-I585 VanDerWaalsContact CA-CD1 3.46Å; H549-I585 VanDerWaalsContact CE1-CG1 3.45Å; H549-I585 WeakPolarHBondContact CE1-CG1 3.45Å; V554-I585 HydrophobicContact CG1-CB 4.2Å; V554-I585 HydrophobicContact CG1-CD1 4Å; V554-I585 HydrophobicContact CG1-CG1 3.75Å; V554-I585 HydrophobicContact CG1-CG2 3.47Å; V554-I585 VanDerWaalsContact CG1-CG2 3.47Å; M555-I585 WeakPolarHBondContact O-CA 3.4Å; H583-I585 PolarHBondContact O-N 2.8Å |
| 586 | F | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | -1.6 | -177 | 70.6 | -84.6 | 0 | 0 | 0 | 114 | L484 Y485 C489 T492 V493 F496 M555 M557 F569 | L484-F586 WeakPolarHBondContact CA-O 3.18Å; L484-F586 HydrophobicContact CD2-CD2 4.19Å; L484-F586 HydrophobicContact CD2-CE2 4.32Å; Y485-F586 PolarHBondContact N-O 3.06Å; C489-F586 HydrophobicContact CB-CB 4.33Å; T492-F586 HydrophobicContact CG2-CB 3.51Å; T492-F586 HydrophobicContact CG2-CD1 3.73Å; T492-F586 HydrophobicContact CG2-CD2 4.33Å; T492-F586 HydrophobicContact CG2-CG 3.6Å; V493-F586 HydrophobicContact CG2-CB 4.3Å; F496-F586 HydrophobicContact CB-CD2 4.48Å; F496-F586 HydrophobicContact CB-CE2 4.01Å; F496-F586 HydrophobicContact CD1-CE2 4.05Å; F496-F586 AromaticContact CD2-CE2 3.81Å; F496-F586 HydrophobicContact CD2-CE2 3.81Å; F496-F586 HydrophobicContact CD2-CZ 4.01Å; F496-F586 HydrophobicContact CE2-CE2 4.28Å; F496-F586 HydrophobicContact CE2-CZ 4.43Å; F496-F586 HydrophobicContact CG-CD2 4.49Å; F496-F586 AromaticContact CG-CE2 3.67Å; F496-F586 HydrophobicContact CG-CE2 3.67Å; F496-F586 HydrophobicContact CG-CZ 4.31Å; M555-F586 HydrophobicContact CB-CE1 4.19Å; M555-F586 HydrophobicContact CB-CZ 4.2Å; M555-F586 HydrophobicContact CE-CE2 3.72Å; M555-F586 HydrophobicContact CE-CZ 3.73Å; M555-F586 PolarHBondContact O-N 3.49Å; M555-F586 VanDerWaalsContact O-N 3.07Å; M557-F586 HydrophobicContact CG-CD1 4.05Å; M557-F586 HydrophobicContact CG-CE1 4.2Å; M557-F586 HydrophobicContact SD-CD1 4.02Å; M557-F586 HydrophobicContact SD-CE1 3.68Å; M557-F586 HydrophobicContact SD-CZ 4.32Å; F569-F586 HydrophobicContact CB-CE1 3.87Å; F569-F586 HydrophobicContact CB-CZ 3.99Å; F569-F586 HydrophobicContact CD2-CZ 4.19Å; F569-F586 HydrophobicContact CG-CE1 4.4Å; F569-F586 HydrophobicContact CG-CZ 4.03Å |
| 587 | G | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K483 M555 | K483-G587 CarbonylContact O-C 3.55Å; K483-G587 WeakPolarHBondContact O-CA 3.27Å; M555-G587 PolarHBondContact N-O 2.73Å |
| 588 | L | 97.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 132.1 | 179.5 | -178.7 | 78.4 | 0 | 0 | 0 | 109.8 | C482 K483 Y485 R551 F553 V554 H590 | C482-L588 CarbonylContact C-O 3.59Å; C482-L588 WeakPolarHBondContact CA-O 3.38Å; K483-L588 PolarHBondContact N-O 3.49Å; K483-L588 PolarHBondContact O-N 3.32Å; Y485-L588 VanDerWaalsContact OH-CB 3.23Å; Y485-L588 WeakPolarHBondContact OH-CB 3.39Å; R551-L588 HydrophobicContact CG-CD1 4.34Å; F553-L588 WeakPolarHBondContact O-CD1 3.25Å; V554-L588 HydrophobicContact CG2-CD1 3.97Å; L588-H590 PolarHBondContact O-N 3.36Å |
| 589 | V | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130 | 171.9 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | I480 H481 F553 I571 K591 M593 V596 | I480-V589 HydrophobicContact CG2-CB 4.19Å; I480-V589 HydrophobicContact CG2-CG1 3.5Å; I480-V589 HydrophobicContact CG2-CG2 3.61Å; H481-V589 WeakPolarHBondContact O-CA 3.35Å; H481-V589 WeakPolarHBondContact O-CG1 3.42Å; F553-V589 HydrophobicContact CB-CB 3.87Å; F553-V589 HydrophobicContact CB-CG2 4.22Å; F553-V589 PolarHBondContact O-N 2.77Å; I571-V589 HydrophobicContact CD1-CG2 4.1Å; I571-V589 HydrophobicContact CG2-CG2 3.88Å; V589-K591 VanDerWaalsContact CG1-O 3.28Å; V589-K591 WeakPolarHBondContact CG1-O 3.04Å; V589-M593 HydrophobicContact CG1-CG 4.42Å; V589-V596 HydrophobicContact CG1-CG2 4.42Å; V589-V596 HydrophobicContact CG2-CG2 4.25Å |
| 590 | H | 94.4 | Very high | 95.3 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -8.9 | 178.9 | 74.4 | 83.4 | 0 | 0 | 0 | 113.8 | H481 L588 M593 | H481-H590 PolarHBondContact O-CD2 3.25Å; H481-H590 PolarHBondContact O-N 3.02Å; L588-H590 PolarHBondContact O-N 3.36Å; H590-M593 VanDerWaalsContact O-CE 3.25Å; H590-M593 WeakPolarHBondContact O-CE 3.32Å |
| 591 | K | 95.6 | Very high | 95.6 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148.2 | 168.7 | -178.8 | -175.6 | 178.4 | -167.8 | 0 | 108.9 | H481 V589 | H481-K591 HydrophobicContact CB-CB 3.9Å; H481-K591 PolarHBondContact N-O 3.38Å; H481-K591 PolarHBondContact O-N 2.76Å; V589-K591 VanDerWaalsContact CG1-O 3.28Å; V589-K591 WeakPolarHBondContact CG1-O 3.04Å |
| 592 | G | 94.9 | Very high | 96 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | 85.4 | 24.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D479 E594 V595 V596 | D479-G592 WeakPolarHBondContact O-CA 3.4Å; G592-E594 PolarHBondContact O-N 2.67Å; G592-V595 WeakPolarHBondContact O-CB 3.42Å; G592-V595 PolarHBondContact O-N 2.9Å; G592-V595 VanDerWaalsContact O-N 3.08Å; G592-V596 PolarHBondContact O-N 3.44Å | ||
| 593 | M | 96.7 | Very high | 96.3 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -34.2 | 176.2 | -64.9 | 82.2 | 154.8 | 0 | 0 | 111.8 | F553 V589 H590 V595 V596 Q597 | F553-M593 HydrophobicContact CD1-CB 4.31Å; F553-M593 HydrophobicContact CD1-CG 4.23Å; F553-M593 HydrophobicContact CD2-CB 4.43Å; F553-M593 HydrophobicContact CD2-CG 3.78Å; F553-M593 HydrophobicContact CE1-CB 3.84Å; F553-M593 HydrophobicContact CE1-CG 4.18Å; F553-M593 HydrophobicContact CE2-CB 3.98Å; F553-M593 HydrophobicContact CE2-CG 3.72Å; F553-M593 HydrophobicContact CG-CG 4.04Å; F553-M593 HydrophobicContact CZ-CB 3.66Å; F553-M593 HydrophobicContact CZ-CG 3.92Å; V589-M593 HydrophobicContact CG1-CG 4.42Å; H590-M593 VanDerWaalsContact O-CE 3.25Å; H590-M593 WeakPolarHBondContact O-CE 3.32Å; M593-V595 VanDerWaalsContact C-N 3.29Å; M593-V595 PolarHBondContact O-N 2.77Å; M593-V596 WeakPolarHBondContact O-CB 3.23Å; M593-V596 PolarHBondContact O-N 2.76Å; M593-Q597 WeakPolarHBondContact O-CG 3.39Å; M593-Q597 PolarHBondContact O-N 2.58Å |
| 594 | E | 96.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -37 | 173 | 64.6 | -77.9 | -173.7 | 0 | 0 | 111.9 | G592 Q597 N598 | G592-E594 PolarHBondContact O-N 2.67Å; E594-Q597 PolarHBondContact O-N 2.75Å; E594-N598 VanDerWaalsContact O-CB 3.32Å; E594-N598 WeakPolarHBondContact O-CB 3.47Å; E594-N598 PolarHBondContact O-N 3.13Å; E594-N598 PolarHBondContact O-ND2 3.47Å; E594-N598 PolarHBondContact O-OD1 2.87Å |
| 595 | V | 97.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | M477 I480 G592 M593 Q597 N598 I599 | M477-V595 HydrophobicContact CB-CG1 4.25Å; I480-V595 HydrophobicContact CD1-CG1 4.25Å; I480-V595 HydrophobicContact CG1-CB 4.09Å; I480-V595 HydrophobicContact CG1-CG1 3.89Å; G592-V595 WeakPolarHBondContact O-CB 3.42Å; G592-V595 PolarHBondContact O-N 2.9Å; G592-V595 VanDerWaalsContact O-N 3.08Å; M593-V595 VanDerWaalsContact C-N 3.29Å; M593-V595 PolarHBondContact O-N 2.77Å; V595-Q597 VanDerWaalsContact C-N 3.29Å; V595-Q597 PolarHBondContact O-N 3.06Å; V595-N598 PolarHBondContact O-N 3.12Å; V595-I599 HydrophobicContact CG1-CD1 4.02Å; V595-I599 HydrophobicContact CG1-CG1 4.47Å; V595-I599 VanDerWaalsContact O-CG1 3.29Å; V595-I599 WeakPolarHBondContact O-CG1 3.29Å; V595-I599 PolarHBondContact O-N 2.97Å |
| 596 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | I480 I519 F553 I571 V573 V589 G592 M593 N600 | I480-V596 HydrophobicContact CD1-CG2 3.83Å; I480-V596 HydrophobicContact CG1-CG2 4.03Å; I480-V596 HydrophobicContact CG2-CG2 3.85Å; I519-V596 HydrophobicContact CD1-CB 4.35Å; I519-V596 HydrophobicContact CD1-CG1 3.74Å; I519-V596 HydrophobicContact CG1-CG1 4.29Å; F553-V596 HydrophobicContact CD1-CB 4.26Å; F553-V596 HydrophobicContact CD1-CG1 3.99Å; F553-V596 HydrophobicContact CE1-CB 4.37Å; F553-V596 HydrophobicContact CE1-CG1 4.28Å; I571-V596 HydrophobicContact CB-CG1 4.46Å; I571-V596 HydrophobicContact CD1-CG2 4.45Å; I571-V596 HydrophobicContact CG2-CG1 3.9Å; I571-V596 HydrophobicContact CG2-CG2 4.45Å; V573-V596 HydrophobicContact CG1-CG1 3.81Å; V589-V596 HydrophobicContact CG1-CG2 4.42Å; V589-V596 HydrophobicContact CG2-CG2 4.25Å; G592-V596 PolarHBondContact O-N 3.44Å; M593-V596 WeakPolarHBondContact O-CB 3.23Å; M593-V596 PolarHBondContact O-N 2.76Å; V596-N600 WeakPolarHBondContact O-CB 3.24Å; V596-N600 PolarHBondContact O-N 2.78Å |
| 597 | Q | 96.2 | Very high | 95 | Very high | 100 Ų | 100 | 63.3 Ų | 63.3 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 176.8 | -74 | -178.3 | -8.1 | 0 | 0 | 112 | F553 M593 E594 V595 I599 N600 Q601 | F553-Q597 HydrophobicContact CE1-CG 4.13Å; F553-Q597 HydrophobicContact CZ-CG 4.33Å; M593-Q597 WeakPolarHBondContact O-CG 3.39Å; M593-Q597 PolarHBondContact O-N 2.58Å; E594-Q597 PolarHBondContact O-N 2.75Å; V595-Q597 VanDerWaalsContact C-N 3.29Å; V595-Q597 PolarHBondContact O-N 3.06Å; Q597-I599 VanDerWaalsContact C-N 3.35Å; Q597-I599 PolarHBondContact O-N 3.27Å; Q597-N600 PolarHBondContact O-N 3.31Å; Q597-Q601 VanDerWaalsContact O-CG 3.32Å; Q597-Q601 WeakPolarHBondContact O-CG 3.34Å; Q597-Q601 PolarHBondContact O-N 2.91Å |
| 598 | N | 96.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.5 | -71.8 | -18.6 | 0 | 0 | 0 | 111.1 | M477 E594 V595 N600 Q601 V602 | M477-N598 HydrophobicContact CE-CB 4.48Å; E594-N598 VanDerWaalsContact O-CB 3.32Å; E594-N598 WeakPolarHBondContact O-CB 3.47Å; E594-N598 PolarHBondContact O-N 3.13Å; E594-N598 PolarHBondContact O-ND2 3.47Å; E594-N598 PolarHBondContact O-OD1 2.87Å; V595-N598 PolarHBondContact O-N 3.12Å; N598-N600 VanDerWaalsContact C-N 3.28Å; N598-N600 PolarHBondContact O-N 3.04Å; N598-Q601 PolarHBondContact O-N 2.89Å; N598-V602 VanDerWaalsContact O-CG1 3.29Å; N598-V602 WeakPolarHBondContact O-CG1 3.24Å; N598-V602 PolarHBondContact O-N 3.23Å |
| 599 | I | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 173.6 | -63.5 | 171.9 | 0 | 0 | 0 | 110.2 | T475 M477 I480 F510 V513 I519 V595 Q597 Q601 V602 I615 | T475-I599 HydrophobicContact CG2-CD1 4.49Å; M477-I599 HydrophobicContact CB-CG1 4.17Å; M477-I599 HydrophobicContact CG-CG1 4.32Å; M477-I599 HydrophobicContact SD-CG1 3.77Å; I480-I599 HydrophobicContact CD1-CD1 4.26Å; F510-I599 HydrophobicContact CB-CG2 4.46Å; F510-I599 HydrophobicContact CD1-CG2 4.34Å; F510-I599 HydrophobicContact CE2-CD1 4.15Å; F510-I599 HydrophobicContact CG-CG2 4.23Å; F510-I599 HydrophobicContact CZ-CD1 4.18Å; V513-I599 HydrophobicContact CG2-CG2 4.27Å; I519-I599 HydrophobicContact CB-CG2 4.25Å; I519-I599 HydrophobicContact CD1-CB 4.23Å; I519-I599 HydrophobicContact CD1-CD1 4.35Å; I519-I599 HydrophobicContact CD1-CG2 4.03Å; I519-I599 HydrophobicContact CG2-CB 4.45Å; I519-I599 HydrophobicContact CG2-CG2 3.88Å; V595-I599 HydrophobicContact CG1-CD1 4.02Å; V595-I599 HydrophobicContact CG1-CG1 4.47Å; V595-I599 VanDerWaalsContact O-CG1 3.29Å; V595-I599 WeakPolarHBondContact O-CG1 3.29Å; V595-I599 PolarHBondContact O-N 2.97Å; Q597-I599 VanDerWaalsContact C-N 3.35Å; Q597-I599 PolarHBondContact O-N 3.27Å; I599-Q601 VanDerWaalsContact C-N 3.32Å; I599-Q601 PolarHBondContact O-N 3.44Å; I599-V602 WeakPolarHBondContact O-CG2 3.39Å; I599-I615 HydrophobicContact CB-CD1 4.48Å; I599-I615 HydrophobicContact CD1-CG2 4.15Å; I599-I615 HydrophobicContact CG1-CD1 4.42Å; I599-I615 HydrophobicContact CG1-CG2 4.12Å; I599-I615 HydrophobicContact CG2-CD1 4Å |
| 600 | N | 97.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.7 | -26.9 | 179.2 | -168.4 | -105.3 | 0 | 0 | 0 | 114.2 | I514 S516 I518 I519 V573 V596 Q597 N598 | I514-N600 PolarHBondContact O-ND2 3.21Å; S516-N600 PolarHBondContact N-OD1 2.88Å; I518-N600 PolarHBondContact O-ND2 3.44Å; I519-N600 HydrophobicContact CG2-CB 3.87Å; V573-N600 HydrophobicContact CG1-CB 3.85Å; V573-N600 HydrophobicContact CG2-CB 4.48Å; V596-N600 WeakPolarHBondContact O-CB 3.24Å; V596-N600 PolarHBondContact O-N 2.78Å; Q597-N600 PolarHBondContact O-N 3.31Å; N598-N600 VanDerWaalsContact C-N 3.28Å; N598-N600 PolarHBondContact O-N 3.04Å |
| 601 | Q | 95.4 | Very high | 94.2 | Very high | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -86.7 | -8.5 | -177.2 | -69.3 | -59.9 | -22.4 | 0 | 0 | 114.2 | Q597 N598 I599 | Q597-Q601 VanDerWaalsContact O-CG 3.32Å; Q597-Q601 WeakPolarHBondContact O-CG 3.34Å; Q597-Q601 PolarHBondContact O-N 2.91Å; N598-Q601 PolarHBondContact O-N 2.89Å; I599-Q601 VanDerWaalsContact C-N 3.32Å; I599-Q601 PolarHBondContact O-N 3.44Å |
| 602 | V | 94.8 | Very high | 94 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -59.3 | 155.9 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | M477 N598 I599 T604 P611 I615 | M477-V602 HydrophobicContact CE-CG1 4.4Å; M477-V602 HydrophobicContact SD-CG1 4.17Å; N598-V602 VanDerWaalsContact O-CG1 3.29Å; N598-V602 WeakPolarHBondContact O-CG1 3.24Å; N598-V602 PolarHBondContact O-N 3.23Å; I599-V602 WeakPolarHBondContact O-CG2 3.39Å; V602-T604 HydrophobicContact CG2-CG2 4.22Å; V602-T604 PolarHBondContact O-N 3.3Å; V602-P611 HydrophobicContact CG2-CB 3.91Å; V602-P611 HydrophobicContact CG2-CG 3.99Å; V602-I615 HydrophobicContact CB-CD1 4.34Å; V602-I615 HydrophobicContact CG1-CD1 3.73Å; V602-I615 HydrophobicContact CG2-CD1 3.96Å |
| 603 | K | 94.1 | Very high | 93.8 | Very high | 169 Ų | 169 | 76.3 Ų | 76.3 | 74% | 0.735 | 37% | 0.37 | S | S | * | . | trans | -70.6 | 123.5 | 176 | -67.6 | 178.6 | -178.1 | 172.8 | 0 | 108.8 | F612 | K603-F612 HydrophobicContact CB-CD2 3.99Å; K603-F612 WeakPolarHBondContact O-CD2 3.4Å; K603-F612 PolarHBondContact O-N 3.06Å | ||
| 604 | T | 94.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 79.9 Ų | 79.9 | 14% | 0.135 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -114.8 | 152.9 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | V513 V602 P606 R610 P611 F612 | V513-T604 HydrophobicContact CB-CG2 3.84Å; V513-T604 HydrophobicContact CG1-CG2 4.01Å; V602-T604 HydrophobicContact CG2-CG2 4.22Å; V602-T604 PolarHBondContact O-N 3.3Å; T604-P606 WeakPolarHBondContact O-CD 3.4Å; T604-R610 CarbonylContact C-O 3.55Å; T604-R610 VanDerWaalsContact CA-O 3.24Å; T604-R610 WeakPolarHBondContact CA-O 3.47Å; T604-P611 HydrophobicContact CG2-CG 4.28Å; T604-F612 WeakPolarHBondContact O-CE2 3.48Å |
| 605 | N | 90.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 75.2 Ų | 75.2 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -68.5 | 120.9 | 172.1 | 178.1 | -20 | 0 | 0 | 0 | 109.1 | K607 N608 N609 R610 F612 | N605-K607 PolarHBondContact O-N 2.96Å; N605-K607 WeakPolarHBondContact OD1-CB 3.43Å; N605-K607 PolarHBondContact OD1-N 3.41Å; N605-N608 WeakPolarHBondContact CB-OD1 3.38Å; N605-N608 PolarHBondContact O-N 3.18Å; N605-N609 VanDerWaalsContact O-CA 3.31Å; N605-N609 WeakPolarHBondContact O-CA 3.42Å; N605-N609 PolarHBondContact O-N 3.29Å; N605-R610 PolarHBondContact N-O 3.17Å; N605-F612 HydrophobicContact CB-CZ 4.22Å | ||
| 606 | P | 86.9 | Confident | 93.3 | Very high | 113 Ų | 113 | 75.6 Ų | 75.6 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.3 | -177.4 | -26.1 | 34.9 | 0 | 0 | 0 | 115 | T604 | T604-P606 WeakPolarHBondContact O-CD 3.4Š|
| 607 | K | 86.7 | Confident | 93.3 | Very high | 193 Ų | 193 | 75.6 Ų | 75.6 | 84% | 0.839 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -36.8 | -177.5 | -68.5 | -173.3 | 177.7 | -177.9 | 0 | 113.5 | N605 | N605-K607 PolarHBondContact O-N 2.96Å; N605-K607 WeakPolarHBondContact OD1-CB 3.43Å; N605-K607 PolarHBondContact OD1-N 3.41Å |
| 608 | N | 88 | Confident | 93 | Very high | 82 Ų | 82 | 74.8 Ų | 74.8 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 0.3 | -172.3 | 64.3 | 1.5 | 0 | 0 | 0 | 113.7 | N605 R610 | N605-N608 WeakPolarHBondContact CB-OD1 3.38Å; N605-N608 PolarHBondContact O-N 3.18Å; N608-R610 PolarHBondContact O-N 2.87Å; N608-R610 VanDerWaalsContact OD1-CB 3.28Å; N608-R610 WeakPolarHBondContact OD1-CB 3.23Å; N608-R610 PolarHBondContact OD1-N 2.97Å |
| 609 | N | 93.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 72.5 Ų | 72.5 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | trans | 60.1 | 22 | -176.6 | -55.7 | -73.4 | 0 | 0 | 0 | 113.8 | R512 V513 I514 N605 | R512-N609 HydrophobicContact CG-CB 4.21Å; V513-N609 PolarHBondContact N-O 3.46Å; V513-N609 WeakPolarHBondContact O-CB 3.37Å; I514-N609 HydrophobicContact CG1-CB 4.03Å; N605-N609 VanDerWaalsContact O-CA 3.31Å; N605-N609 WeakPolarHBondContact O-CA 3.42Å; N605-N609 PolarHBondContact O-N 3.29Å | ||
| 610 | R | 93.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 73.2 Ų | 73.2 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | trans | -80.6 | 132.8 | 175.5 | -170.1 | -175.6 | -174.4 | 91.3 | -4.3 | 110.4 | H511 G526 T604 N605 N608 | H511-R610 WeakPolarHBondContact O-CA 3.21Å; G526-R610 PolarHBondContact O-NH1 3.07Å; T604-R610 CarbonylContact C-O 3.55Å; T604-R610 VanDerWaalsContact CA-O 3.24Å; T604-R610 WeakPolarHBondContact CA-O 3.47Å; N605-R610 PolarHBondContact N-O 3.17Å; N608-R610 PolarHBondContact O-N 2.87Å; N608-R610 VanDerWaalsContact OD1-CB 3.28Å; N608-R610 WeakPolarHBondContact OD1-CB 3.23Å; N608-R610 PolarHBondContact OD1-N 2.97Å | ||
| 611 | P | 93.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 7% | 0.071 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -53.2 | 142.5 | 169.6 | -28.3 | 37.5 | 0 | 0 | 0 | 112.8 | F510 V513 V602 T604 E613 | F510-P611 VanDerWaalsContact O-CD 3.25Å; F510-P611 WeakPolarHBondContact O-CD 3.04Å; F510-P611 WeakPolarHBondContact O-CG 3.46Å; V513-P611 HydrophobicContact CB-CG 4.16Å; V513-P611 HydrophobicContact CG2-CG 3.72Å; V602-P611 HydrophobicContact CG2-CB 3.91Å; V602-P611 HydrophobicContact CG2-CG 3.99Å; T604-P611 HydrophobicContact CG2-CG 4.28Å; P611-E613 WeakPolarHBondContact CB-O 3.28Å |
| 612 | F | 91.8 | Very high | 92 | Very high | 146 Ų | 146 | 72.2 Ų | 72.2 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -72.5 | -40.9 | 172.5 | -80 | -75.8 | 0 | 0 | 0 | 112.1 | K603 T604 N605 | K603-F612 HydrophobicContact CB-CD2 3.99Å; K603-F612 WeakPolarHBondContact O-CD2 3.4Å; K603-F612 PolarHBondContact O-N 3.06Å; T604-F612 WeakPolarHBondContact O-CE2 3.48Å; N605-F612 HydrophobicContact CB-CZ 4.22Å |
| 613 | E | 91 | Very high | 91.2 | Very high | 167 Ų | 167 | 74 Ų | 74 | 78% | 0.78 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -94.3 | 131.1 | 172.3 | -69.3 | 174.8 | -167.3 | 0 | 0 | 108.3 | P611 I615 | P611-E613 WeakPolarHBondContact CB-O 3.28Å; E613-I615 PolarHBondContact O-N 3.18Å |
| 614 | E | 90.3 | Very high | 89.3 | Confident | 135 Ų | 135 | 70.7 Ų | 70.7 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | trans | -72.3 | 129.2 | -175.8 | -171.9 | 171.5 | 122.6 | 0 | 0 | 111 | V509 | V509-E614 HydrophobicContact CB-CG 4.29Å; V509-E614 HydrophobicContact CG1-CG 3.41Å; V509-E614 VanDerWaalsContact CG1-CG 3.41Å; V509-E614 VanDerWaalsContact CG1-OE1 3.31Å; V509-E614 WeakPolarHBondContact CG1-OE1 3.32Å | ||
| 615 | I | 95.4 | Very high | 87 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.046 | 40% | 0.403 | C | S | . | . | trans | -119.8 | 121.8 | 174.3 | -55.3 | 161.2 | 0 | 0 | 0 | 106.3 | T476 M477 V509 F510 I599 V602 E613 | T476-I615 WeakPolarHBondContact OG1-CG2 2.93Å; M477-I615 HydrophobicContact CG-CG1 4.32Å; M477-I615 HydrophobicContact CG-CG2 3.99Å; M477-I615 HydrophobicContact SD-CD1 3.65Å; M477-I615 HydrophobicContact SD-CG1 3.99Å; M477-I615 HydrophobicContact SD-CG2 4.36Å; V509-I615 CarbonylContact C-O 3.6Å; V509-I615 WeakPolarHBondContact CA-O 3.39Å; F510-I615 HydrophobicContact CD2-CB 4.21Å; F510-I615 HydrophobicContact CD2-CG2 3.72Å; F510-I615 WeakPolarHBondContact CD2-O 3.43Å; F510-I615 HydrophobicContact CE2-CG2 4.19Å; F510-I615 PolarHBondContact N-O 3.14Å; I599-I615 HydrophobicContact CB-CD1 4.48Å; I599-I615 HydrophobicContact CD1-CG2 4.15Å; I599-I615 HydrophobicContact CG1-CD1 4.42Å; I599-I615 HydrophobicContact CG1-CG2 4.12Å; I599-I615 HydrophobicContact CG2-CD1 4Å; V602-I615 HydrophobicContact CB-CD1 4.34Å; V602-I615 HydrophobicContact CG1-CD1 3.73Å; V602-I615 HydrophobicContact CG2-CD1 3.96Å; E613-I615 PolarHBondContact O-N 3.18Å | ||
| 616 | S | 94.7 | Very high | 84.3 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -125.3 | 158.9 | -179.4 | 59 | 0 | 0 | 0 | 0 | 112.8 | T475 T476 N508 | T475-S616 WeakPolarHBondContact CA-O 3.49Å; T476-S616 WeakPolarHBondContact CG2-OG 3.15Å; T476-S616 PolarHBondContact N-O 2.8Å; T476-S616 PolarHBondContact OG1-N 2.67Å; T476-S616 VanDerWaalsContact OG1-N 3.1Å; T476-S616 PolarHBondContact OG1-O 3Å; N508-S616 CarbonylContact O-C 3.53Å; N508-S616 VanDerWaalsContact O-CA 3.29Å; N508-S616 WeakPolarHBondContact O-CA 3.42Å |
| 617 | I | 97.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.4 | 165.3 | -62.5 | 173.2 | 0 | 0 | 0 | 107.5 | I473 H474 Y505 G507 N508 F510 T521 I620 | I473-I617 HydrophobicContact CG2-CD1 4.11Å; I473-I617 HydrophobicContact CG2-CG1 3.93Å; I473-I617 HydrophobicContact CG2-CG2 4.09Å; H474-I617 CarbonylContact O-C 3.4Å; Y505-I617 WeakPolarHBondContact O-CB 3.16Å; G507-I617 WeakPolarHBondContact CA-O 3.39Å; G507-I617 PolarHBondContact N-O 2.81Å; N508-I617 PolarHBondContact O-N 2.93Å; F510-I617 HydrophobicContact CE2-CG1 4.04Å; F510-I617 HydrophobicContact CZ-CG1 4.27Å; T521-I617 HydrophobicContact CG2-CD1 3.94Å; I617-I620 HydrophobicContact CG2-CD1 4.48Å; I617-I620 HydrophobicContact CG2-CG1 3.95Å |
| 618 | V | 90.4 | Very high | 79.2 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -50.6 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | H474 T476 | H474-V618 HydrophobicContact CB-CB 4.37Å; H474-V618 PolarHBondContact O-N 3.31Å; T476-V618 HydrophobicContact CG2-CG2 4.18Å |
| 619 | S | 90.7 | Very high | 76.6 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 169.4 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | H474 N506 | H474-S619 WeakPolarHBondContact CB-O 3.47Å; H474-S619 PolarHBondContact CD2-OG 3.2Å; H474-S619 PolarHBondContact N-O 2.78Å; H474-S619 PolarHBondContact O-N 2.8Å; N506-S619 WeakPolarHBondContact OD1-CA 3.15Å |
| 620 | I | 94.3 | Very high | 73.5 | Confident | 14 Ų | 14 | 86 Ų | 86 | 7% | 0.072 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.8 | 171.1 | -58 | 179.6 | 0 | 0 | 0 | 108.1 | C471 V472 I473 F496 A500 Y505 I617 F622 | C471-I620 HydrophobicContact CB-CG2 4.07Å; V472-I620 CarbonylContact O-C 3.58Å; V472-I620 VanDerWaalsContact O-CA 3.32Å; V472-I620 WeakPolarHBondContact O-CA 3.35Å; I473-I620 HydrophobicContact CB-CG1 4.47Å; I473-I620 HydrophobicContact CG1-CD1 4.29Å; I473-I620 HydrophobicContact CG1-CG1 4.26Å; I473-I620 HydrophobicContact CG2-CG1 4.22Å; F496-I620 HydrophobicContact CE2-CD1 4.14Å; F496-I620 HydrophobicContact CZ-CD1 3.87Å; F496-I620 HydrophobicContact CZ-CG2 4.49Å; A500-I620 HydrophobicContact CB-CB 3.9Å; A500-I620 HydrophobicContact CB-CD1 4.07Å; A500-I620 HydrophobicContact CB-CG2 3.96Å; Y505-I620 HydrophobicContact CD2-CD1 3.68Å; Y505-I620 HydrophobicContact CG-CD1 3.94Å; I617-I620 HydrophobicContact CG2-CD1 4.48Å; I617-I620 HydrophobicContact CG2-CG1 3.95Å; I620-F622 HydrophobicContact CG2-CE1 4.43Å; I620-F622 HydrophobicContact CG2-CZ 4.13Å |
| 621 | S | 90.6 | Very high | 70.8 | Confident | 44 Ų | 44 | 88.2 Ų | 88.2 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 158.4 | 179 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | C471 V472 H474 | C471-S621 CarbonylContact C-O 3.54Å; C471-S621 WeakPolarHBondContact CA-O 3.43Å; C471-S621 WeakPolarHBondContact CB-O 3.26Å; V472-S621 PolarHBondContact N-O 3.29Å; V472-S621 PolarHBondContact O-N 2.87Å; H474-S621 PolarHBondContact NE2-OG 3.22Å |
| 622 | F | 89 | Confident | 68.1 | Low | 55 Ų | 55 | 96 Ų | 96 | 24% | 0.241 | 53% | 0.527 | C | S | . | . | trans | -121 | 108.2 | -179.2 | -60.4 | -73.8 | 0 | 0 | 0 | 108.2 | I468 C471 T497 A500 K501 I620 S624 | I468-F622 HydrophobicContact CD1-CD1 4.35Å; I468-F622 HydrophobicContact CD1-CG 4.46Å; I468-F622 HydrophobicContact CG2-CD1 3.29Å; I468-F622 HydrophobicContact CG2-CE1 3.73Å; I468-F622 HydrophobicContact CG2-CG 4.13Å; C471-F622 HydrophobicContact CB-CD1 3.63Å; C471-F622 HydrophobicContact CB-CE1 3.53Å; T497-F622 HydrophobicContact CG2-CE1 3.73Å; T497-F622 HydrophobicContact CG2-CZ 4.06Å; A500-F622 HydrophobicContact CB-CE2 4.05Å; A500-F622 HydrophobicContact CB-CZ 3.68Å; K501-F622 HydrophobicContact CG-CD2 4.12Å; K501-F622 HydrophobicContact CG-CE2 3.64Å; I620-F622 HydrophobicContact CG2-CE1 4.43Å; I620-F622 HydrophobicContact CG2-CZ 4.13Å; F622-S624 PolarHBondContact O-N 2.74Å | ||
| 623 | P | 77.4 | Confident | 65.5 | Low | 66 Ų | 66 | 97.8 Ų | 97.8 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | trans | -63.7 | 130.6 | 178.3 | 4.6 | 0.7 | 0 | 0 | 0 | 109.9 | V472 T625 | V472-P623 HydrophobicContact CG2-CG 4.11Å; P623-T625 PolarHBondContact O-N 2.85Å | ||
| 624 | S | 55.5 | Low | 64.2 | Low | 101 Ų | 101 | 94.4 Ų | 94.4 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | trans | -72.5 | 117.6 | 175.3 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | F622 L626 | F622-S624 PolarHBondContact O-N 2.74Å; S624-L626 PolarHBondContact O-N 2.7Å | ||
| 625 | T | 44.5 | Very low | 62.8 | Low | 124 Ų | 124 | 92.2 Ų | 92.2 | 76% | 0.761 | 54% | 0.543 | S | S | * | . | trans | -75.3 | 63.9 | 169.3 | -13 | 0 | 0 | 0 | 0 | 110.1 | P623 | P623-T625 PolarHBondContact O-N 2.85Š| ||
| 626 | L | 34.4 | Very low | 61 | Low | 137 Ų | 137 | 96.8 Ų | 96.8 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | trans | -101.6 | 100.1 | 160 | -74.1 | 166.5 | 0 | 0 | 0 | 105.2 | S624 D628 | S624-L626 PolarHBondContact O-N 2.7Å; L626-D628 VanDerWaalsContact C-N 3.29Å; L626-D628 PolarHBondContact O-N 2.64Å | ||
| 627 | Q | 31.9 | Very low | 59.1 | Low | 189 Ų | 189 | 101.4 Ų | 101.4 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | trans | -64.3 | 101.1 | 162 | -80.7 | 178.2 | -5.6 | 0 | 0 | 105.9 | G629 | Q627-G629 PolarHBondContact O-N 3.48Š| ||
| 628 | D | 34.1 | Very low | 56.7 | Low | 151 Ų | 151 | 107.7 Ų | 107.7 | 81% | 0.807 | 63% | 0.633 | S | S | * | * | trans | -55.6 | 104.1 | 164.3 | -71 | -40.4 | 0 | 0 | 0 | 106.8 | L626 E630 | L626-D628 VanDerWaalsContact C-N 3.29Å; L626-D628 PolarHBondContact O-N 2.64Å; D628-E630 PolarHBondContact O-N 2.75Å; D628-E630 VanDerWaalsContact O-N 3.15Å | ||
| 629 | G | 33.6 | Very low | 54.4 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 73% | 0.732 | 64% | 0.641 | S | S | * | * | trans | -57.4 | 118.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q627 | Q627-G629 PolarHBondContact O-N 3.48Š| ||
| 630 | E | 28 | Very low | 51.8 | Low | 160 Ų | 160 | 114.3 Ų | 114.3 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | trans | -51.8 | 133.7 | 170.7 | -72.3 | -176 | 150.1 | 0 | 0 | 109.3 | D628 H632 | D628-E630 PolarHBondContact O-N 2.75Å; D628-E630 VanDerWaalsContact O-N 3.15Å; E630-H632 PolarHBondContact O-N 2.95Å | ||
| 631 | P | 37.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 122 Ų | 122 | 84% | 0.844 | 71% | 0.713 | S | S | * | * | trans | -71.4 | 101.3 | 174.8 | 29.6 | -30.4 | 0 | 0 | 0 | 107.2 | S633 | P631-S633 PolarHBondContact O-N 3.22Å; P631-S633 VanDerWaalsContact O-N 3.07Å | ||
| 632 | H | 36.8 | Very low | 45 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -60.3 | 115 | 166.9 | -74.9 | -61 | 0 | 0 | 0 | 108.5 | E630 | E630-H632 PolarHBondContact O-N 2.95Š| ||
| 633 | S | 37.5 | Very low | 41 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 100% | 1.287 | 79% | 0.793 | S | S | * | * | trans | -38.1 | 0 | 170 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | P631 | P631-S633 PolarHBondContact O-N 3.22Å; P631-S633 VanDerWaalsContact O-N 3.07Å |
Retrieved 633 of 633 residues in 443.3 ms
(Link to these results)