| 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 | 48 | Very low | 55.3 | Low | 213 Ų | 213 | 130.9 Ų | 130.9 | 100% | 1.049 | 72% | 0.724 | S | S | * | * | 0 | 133.1 | 0 | -90.5 | -179.5 | -107.2 | 0 | 0 | 108.3 | V9 | M1-V9 HydrophobicContact SD-CG1 4.41Š| |||
| 2 | A | 53.3 | Low | 55.1 | Low | 77 Ų | 77 | 124.5 Ų | 124.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -124.5 | 133.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | A | 49.3 | Very low | 54.5 | Low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -91.1 | 136.6 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | T | 59.7 | Low | 54.1 | Low | 76 Ų | 76 | 123.3 Ų | 123.3 | 47% | 0.466 | 71% | 0.71 | S | S | . | * | trans | -88.8 | 160 | 168 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | F6 G7 E8 | T4-F6 PolarHBondContact O-N 3.39Å; T4-G7 PolarHBondContact O-N 3.45Å; T4-G7 VanDerWaalsContact O-N 3.1Å; T4-E8 PolarHBondContact OG1-O 3.29Å | ||
| 5 | F | 54.8 | Low | 54.1 | Low | 198 Ų | 198 | 132.5 Ų | 132.5 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -10.4 | -173.3 | -175.2 | -102.6 | 0 | 0 | 0 | 115.3 | ||
| 6 | F | 61.1 | Low | 53.7 | Low | 183 Ų | 183 | 129.2 Ų | 129.2 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 13.4 | 177.2 | -77.8 | -82.2 | 0 | 0 | 0 | 114.5 | T4 E8 | T4-F6 PolarHBondContact O-N 3.39Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 3.38Å |
| 7 | G | 56.8 | Low | 53.3 | Low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | 76.2 | 2.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T4 V9 | T4-G7 PolarHBondContact O-N 3.45Å; T4-G7 VanDerWaalsContact O-N 3.1Å; G7-V9 PolarHBondContact O-N 2.88Å | ||
| 8 | E | 62.2 | Low | 53 | Low | 149 Ų | 149 | 126.1 Ų | 126.1 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | trans | -75.2 | 119.2 | 166.7 | -84.1 | -173.8 | 155.3 | 0 | 0 | 110.4 | T4 F6 V10 | T4-E8 PolarHBondContact OG1-O 3.29Å; F6-E8 VanDerWaalsContact C-N 3.25Å; F6-E8 PolarHBondContact O-N 3.38Å; E8-V10 PolarHBondContact O-N 3.48Å | ||
| 9 | V | 54.1 | Low | 52.6 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 66% | 0.655 | 72% | 0.719 | S | S | * | * | trans | -78.7 | 89.1 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | M1 G7 K11 | M1-V9 HydrophobicContact SD-CG1 4.41Å; G7-V9 PolarHBondContact O-N 2.88Å; V9-K11 PolarHBondContact O-N 2.87Å | ||
| 10 | V | 56.6 | Low | 52.5 | Low | 89 Ų | 89 | 125.4 Ų | 125.4 | 54% | 0.539 | 71% | 0.713 | S | S | . | * | trans | -76.3 | 119.2 | 170.5 | -172.2 | 0 | 0 | 0 | 0 | 108 | E8 A12 | E8-V10 PolarHBondContact O-N 3.48Å; V10-A12 PolarHBondContact O-N 3.44Å | ||
| 11 | K | 52.3 | Low | 52.4 | Low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -61.4 | 107.2 | 167.2 | -87.9 | -176.2 | 175.7 | -179.2 | 0 | 107.5 | V9 | V9-K11 PolarHBondContact O-N 2.87Š| ||
| 12 | A | 53.2 | Low | 52.4 | Low | 54 Ų | 54 | 125.7 Ų | 125.7 | 45% | 0.446 | 71% | 0.706 | S | S | . | * | trans | -56.5 | 133.4 | 166 | 0 | 0 | 0 | 0 | 0 | 107.6 | V10 C14 | V10-A12 PolarHBondContact O-N 3.44Å; A12-C14 PolarHBondContact O-N 3.35Å | ||
| 13 | P | 46.7 | Very low | 52.1 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | trans | -66.5 | 89.9 | 170.2 | 26.9 | -30.5 | 0 | 0 | 0 | 107.1 | R15 | P13-R15 PolarHBondContact O-N 3.33Š| ||
| 14 | C | 49.1 | Very low | 52.1 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | trans | -68 | 120.8 | 166.2 | -74.4 | 0 | 0 | 0 | 0 | 106.2 | A12 A16 | A12-C14 PolarHBondContact O-N 3.35Å; C14-A16 HydrophobicContact CB-CB 4.33Å; C14-A16 PolarHBondContact O-N 3.33Å | ||
| 15 | R | 54.3 | Low | 51.6 | Low | 261 Ų | 261 | 131 Ų | 131 | 99% | 0.985 | 70% | 0.696 | S | S | * | * | trans | -69.6 | 27.3 | 168.4 | -159 | -176.5 | 174.9 | 172.7 | -1 | 111.9 | P13 | P13-R15 PolarHBondContact O-N 3.33Š| ||
| 16 | A | 48.3 | Very low | 51.4 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -113.1 | 97.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | C14 | C14-A16 HydrophobicContact CB-CB 4.33Å; C14-A16 PolarHBondContact O-N 3.33Å |
| 17 | G | 47 | Very low | 51 | Low | 57 Ų | 57 | 122.6 Ų | 122.6 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | trans | 38.6 | 91.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | E19 | G17-E19 VanDerWaalsContact C-N 3.3Š| ||
| 18 | T | 46.7 | Very low | 51 | Low | 145 Ų | 145 | 129 Ų | 129 | 89% | 0.89 | 69% | 0.687 | S | S | * | * | trans | -103.2 | 66.7 | 131.3 | 52.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 19 | E | 46.2 | Very low | 50.9 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | trans | -87.9 | 122.8 | 160.9 | -71.4 | 177.7 | -169.1 | 0 | 0 | 104.1 | G17 E21 | G17-E19 VanDerWaalsContact C-N 3.3Å; E19-E21 PolarHBondContact O-N 3.02Å | ||
| 20 | D | 50 | Low | 51.6 | Low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 67% | 0.67 | S | S | * | * | trans | -53.8 | 132.9 | 179.7 | -66.4 | -51.7 | 0 | 0 | 0 | 108.7 | E22 E23 | D20-E22 PolarHBondContact O-N 3Å; D20-E23 PolarHBondContact O-N 3.24Å | ||
| 21 | E | 51.2 | Low | 52.9 | Low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -55.8 | -16.3 | -175.9 | -66.5 | -178.5 | 167.3 | 0 | 0 | 113 | E19 | E19-E21 PolarHBondContact O-N 3.02Å |
| 22 | E | 48 | Very low | 54.5 | Low | 169 Ų | 169 | 123.1 Ų | 123.1 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.2 | -31.1 | 174.4 | -62.6 | -174.7 | 174.4 | 0 | 0 | 113.6 | D20 | D20-E22 PolarHBondContact O-N 3Å |
| 23 | E | 47.3 | Very low | 56 | Low | 129 Ų | 129 | 127.8 Ų | 127.8 | 60% | 0.603 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.3 | -30.5 | 176.9 | -70.5 | -169 | 164.9 | 0 | 0 | 112.2 | D20 E25 E26 G27 | D20-E23 PolarHBondContact O-N 3.24Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.82Å; E23-E26 PolarHBondContact O-N 2.83Å; E23-G27 PolarHBondContact O-N 2.9Å |
| 24 | E | 48.6 | Very low | 57.7 | Low | 93 Ų | 93 | 125 Ų | 125 | 44% | 0.435 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.1 | -26.8 | 174.2 | -75.2 | -163.8 | -178.7 | 0 | 0 | 113 | R28 | E24-R28 WeakPolarHBondContact O-CG 3.34Å |
| 25 | E | 49.5 | Very low | 59.4 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.9 | -33.4 | 176.1 | -81.5 | -156.8 | 158.6 | 0 | 0 | 112.9 | E23 R28 | E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.82Å; E25-R28 PolarHBondContact O-N 3.01Å |
| 26 | E | 49.9 | Very low | 61 | Low | 130 Ų | 130 | 118.4 Ų | 118.4 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74 | -34.6 | 178 | -86 | -170.6 | 156.3 | 0 | 0 | 112.8 | E23 R28 R29 | E23-E26 PolarHBondContact O-N 2.83Å; E26-R28 PolarHBondContact O-N 2.63Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-R29 IonicContact OE1-NH1 2.86Å |
| 27 | G | 53 | Low | 62.7 | Low | 76 Ų | 76 | 118.4 Ų | 118.4 | 78% | 0.784 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -14 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E23 | E23-G27 PolarHBondContact O-N 2.9Š|
| 28 | R | 56.4 | Low | 64.4 | Low | 199 Ų | 199 | 121.4 Ų | 121.4 | 75% | 0.751 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -6 | 175.6 | -72.6 | 178.7 | -173.3 | -160.7 | 7.3 | 113.8 | E24 E25 E26 E30 | E24-R28 WeakPolarHBondContact O-CG 3.34Å; E25-R28 PolarHBondContact O-N 3.01Å; E26-R28 PolarHBondContact O-N 2.63Å; R28-E30 PolarHBondContact O-N 3.44Å |
| 29 | R | 61.6 | Low | 66.2 | Low | 171 Ų | 171 | 119 Ų | 119 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -76.9 | 97.4 | 176.3 | -72.1 | -176.4 | -176.7 | 164.6 | 5.7 | 109.5 | E26 T31 | E26-R29 PolarHBondContact O-N 3.31Å; E26-R29 IonicContact OE1-NH1 2.86Å; R29-T31 PolarHBondContact O-N 3.01Å; R29-T31 VanDerWaalsContact O-N 3.13Å |
| 30 | E | 68.3 | Low | 68 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | trans | -45.4 | 116.4 | 170.7 | -174 | -174.3 | -107.4 | 0 | 0 | 111.7 | R28 D34 R35 R38 | R28-E30 PolarHBondContact O-N 3.44Å; E30-D34 HydrophobicContact CG-CB 3.93Å; E30-R35 HydrophobicContact CG-CG 3.88Å; E30-R35 WeakPolarHBondContact OE2-CG 3.37Å; E30-R35 IonicContact OE2-CZ 3.99Å; E30-R35 IonicContact OE2-NE 3.86Å; E30-R35 PolarHBondContact OE2-NE 3.02Å; E30-R35 IonicContact OE2-NH2 3.74Å; E30-R38 IonicContact OE1-CZ 3.6Å; E30-R38 IonicContact OE1-NE 2.61Å; E30-R38 IonicContact OE1-NH1 3.75Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 2.74Å; E30-R38 PolarHBondContact OE1-NH2 3.1Å; E30-R38 IonicContact OE2-NH1 2.62Å | ||
| 31 | T | 84.4 | Confident | 69.5 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 36% | 0.356 | 56% | 0.555 | S | S | . | * | trans | -69.5 | 156.9 | -177.5 | 68 | 0 | 0 | 0 | 0 | 110.5 | R29 E33 D34 R35 | R29-T31 PolarHBondContact O-N 3.01Å; R29-T31 VanDerWaalsContact O-N 3.13Å; T31-E33 PolarHBondContact O-N 3.11Å; T31-D34 WeakPolarHBondContact CB-OD2 3.3Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 VanDerWaalsContact N-OD2 3.09Å; T31-D34 PolarHBondContact O-N 3.35Å; T31-D34 VanDerWaalsContact O-N 3.13Å; T31-D34 PolarHBondContact OG1-N 3.49Å; T31-D34 VanDerWaalsContact OG1-N 3.08Å; T31-D34 PolarHBondContact OG1-OD2 2.87Å; T31-R35 PolarHBondContact O-N 3.01Å; T31-R35 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 84.4 | Confident | 70.8 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.2 | -29.8 | 172.2 | 22.7 | -33.6 | 0 | 0 | 0 | 112.6 | R35 E36 | P32-R35 PolarHBondContact O-N 2.88Å; P32-E36 PolarHBondContact O-N 3.2Å; P32-E36 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 84.3 | Confident | 72.4 | Confident | 152 Ų | 152 | 109.4 Ų | 109.4 | 71% | 0.71 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.3 | -44.4 | 174.5 | -61.8 | -174.9 | 178.2 | 0 | 0 | 111.5 | T31 R35 E36 V37 | T31-E33 PolarHBondContact O-N 3.11Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 3.13Å; E33-E36 PolarHBondContact O-N 2.96Å; E33-E36 VanDerWaalsContact O-N 3.15Å; E33-V37 WeakPolarHBondContact O-CG2 3.48Å; E33-V37 PolarHBondContact O-N 3.21Å |
| 34 | D | 84.1 | Confident | 74 | Confident | 77 Ų | 77 | 109 Ų | 109 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 175.8 | -63 | -41.7 | 0 | 0 | 0 | 112.3 | E30 T31 R38 | E30-D34 HydrophobicContact CG-CB 3.93Å; T31-D34 WeakPolarHBondContact CB-OD2 3.3Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 VanDerWaalsContact N-OD2 3.09Å; T31-D34 PolarHBondContact O-N 3.35Å; T31-D34 VanDerWaalsContact O-N 3.13Å; T31-D34 PolarHBondContact OG1-N 3.49Å; T31-D34 VanDerWaalsContact OG1-N 3.08Å; T31-D34 PolarHBondContact OG1-OD2 2.87Å; D34-R38 WeakPolarHBondContact O-CB 3.36Å; D34-R38 PolarHBondContact O-N 3.13Å |
| 35 | R | 84.7 | Confident | 75.6 | Confident | 137 Ų | 137 | 108.2 Ų | 108.2 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 173.3 | -72.4 | -179.2 | 179.1 | 169.5 | 7.5 | 111.8 | E30 T31 P32 E33 R38 Q39 | E30-R35 HydrophobicContact CG-CG 3.88Å; E30-R35 WeakPolarHBondContact OE2-CG 3.37Å; E30-R35 IonicContact OE2-CZ 3.99Å; E30-R35 IonicContact OE2-NE 3.86Å; E30-R35 PolarHBondContact OE2-NE 3.02Å; E30-R35 IonicContact OE2-NH2 3.74Å; T31-R35 PolarHBondContact O-N 3.01Å; T31-R35 VanDerWaalsContact O-N 3.08Å; P32-R35 PolarHBondContact O-N 2.88Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 2.97Å; R35-Q39 WeakPolarHBondContact O-CG 3.33Å; R35-Q39 PolarHBondContact O-N 3.37Å |
| 36 | E | 87.2 | Confident | 77.2 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.7 | -178 | 56.9 | -148.1 | 0 | 0 | 110.8 | P32 E33 R38 Q39 Q40 | P32-E36 PolarHBondContact O-N 3.2Å; P32-E36 VanDerWaalsContact O-N 3.13Å; E33-E36 PolarHBondContact O-N 2.96Å; E33-E36 VanDerWaalsContact O-N 3.15Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 2.62Å; E36-Q39 PolarHBondContact O-N 3.24Å; E36-Q40 WeakPolarHBondContact O-CG 3.39Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.42Å; E36-Q40 PolarHBondContact OE1-NE2 2.91Å |
| 37 | V | 84.4 | Confident | 78.9 | Confident | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E33 Q40 L41 | E33-V37 WeakPolarHBondContact O-CG2 3.48Å; E33-V37 PolarHBondContact O-N 3.21Å; V37-Q40 PolarHBondContact O-N 3.37Å; V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 2.92Å |
| 38 | R | 83.2 | Confident | 80.5 | Confident | 120 Ų | 120 | 101.3 Ų | 101.3 | 45% | 0.453 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.6 | -169.1 | -176.6 | -54.5 | 91.4 | 10.9 | 112.5 | E30 D34 R35 E36 Q40 L41 A42 | E30-R38 IonicContact OE1-CZ 3.6Å; E30-R38 IonicContact OE1-NE 2.61Å; E30-R38 IonicContact OE1-NH1 3.75Å; E30-R38 PolarHBondContact OE1-NH1 2.91Å; E30-R38 IonicContact OE1-NH2 2.74Å; E30-R38 PolarHBondContact OE1-NH2 3.1Å; E30-R38 IonicContact OE2-NH1 2.62Å; D34-R38 WeakPolarHBondContact O-CB 3.36Å; D34-R38 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 2.97Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 2.62Å; R38-Q40 VanDerWaalsContact C-N 3.34Å; R38-L41 PolarHBondContact O-N 3.21Å; R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.27Å; R38-A42 PolarHBondContact O-N 3.16Å |
| 39 | Q | 83.4 | Confident | 81.9 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.8 | -74.5 | -176.6 | 23.9 | 0 | 0 | 111.4 | R35 E36 A42 R43 | R35-Q39 WeakPolarHBondContact O-CG 3.33Å; R35-Q39 PolarHBondContact O-N 3.37Å; E36-Q39 PolarHBondContact O-N 3.24Å; Q39-A42 PolarHBondContact O-N 2.9Å; Q39-R43 WeakPolarHBondContact O-CB 3.24Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.34Å; Q39-R43 PolarHBondContact O-N 3.3Å |
| 40 | Q | 83.8 | Confident | 83 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.4 | -70.2 | -178.4 | 14.6 | 0 | 0 | 111.9 | E36 V37 R38 R43 K44 | E36-Q40 WeakPolarHBondContact O-CG 3.39Å; E36-Q40 PolarHBondContact O-N 2.96Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.42Å; E36-Q40 PolarHBondContact OE1-NE2 2.91Å; V37-Q40 PolarHBondContact O-N 3.37Å; R38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-R43 PolarHBondContact O-N 2.95Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.49Å |
| 41 | L | 81.1 | Confident | 83.6 | Confident | 69 Ų | 69 | 86 Ų | 86 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175 | -108.4 | 138.2 | 0 | 0 | 0 | 111.7 | V37 R38 R43 K44 R45 | V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 2.92Å; R38-L41 PolarHBondContact O-N 3.21Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.31Å; L41-K44 PolarHBondContact O-N 3.07Å; L41-R45 VanDerWaalsContact CD2-NE 3.33Å; L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.37Å |
| 42 | A | 80.3 | Confident | 82.8 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 Q39 R45 E46 | R38-A42 VanDerWaalsContact O-CB 3.3Å; R38-A42 WeakPolarHBondContact O-CB 3.27Å; R38-A42 PolarHBondContact O-N 3.16Å; Q39-A42 PolarHBondContact O-N 2.9Å; A42-R45 CarbonylContact O-C 3.56Å; A42-R45 PolarHBondContact O-N 3.4Å; A42-E46 PolarHBondContact O-N 3.13Å; A42-E46 VanDerWaalsContact O-N 3.12Å |
| 43 | R | 81.6 | Confident | 81.7 | Confident | 165 Ų | 165 | 90.9 Ų | 90.9 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 174.9 | -73.1 | 175.7 | -175.5 | 178.9 | 6.3 | 112.6 | Q39 Q40 L41 E46 | Q39-R43 WeakPolarHBondContact O-CB 3.24Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.34Å; Q39-R43 PolarHBondContact O-N 3.3Å; Q40-R43 PolarHBondContact O-N 2.95Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.31Å; R43-E46 WeakPolarHBondContact O-CB 3.19Å |
| 44 | K | 80.4 | Confident | 80.8 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 52% | 0.522 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 176.8 | -76.4 | 176.7 | -178.2 | 174.4 | 0 | 112 | Q40 L41 E46 W102 | Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.49Å; L41-K44 PolarHBondContact O-N 3.07Å; K44-E46 VanDerWaalsContact C-N 3.28Å; K44-E46 PolarHBondContact O-N 3.31Å; K44-W102 HydrophobicContact CB-CD2 4.39Å; K44-W102 HydrophobicContact CB-CE3 4.41Å; K44-W102 WeakPolarHBondContact O-CB 3.28Å |
| 45 | R | 81.2 | Confident | 79.9 | Confident | 77 Ų | 77 | 91.5 Ų | 91.5 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7.1 | 179.8 | -64.7 | -171.4 | -179 | -179.7 | 2 | 114 | L41 A42 V47 W102 E104 D144 Q145 | L41-R45 VanDerWaalsContact CD2-NE 3.33Å; L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 WeakPolarHBondContact O-CG 3.43Å; L41-R45 PolarHBondContact O-N 3.37Å; A42-R45 CarbonylContact O-C 3.56Å; A42-R45 PolarHBondContact O-N 3.4Å; R45-V47 PolarHBondContact O-N 3.07Å; R45-W102 HydrophobicContact CG-CB 4.42Å; R45-W102 HydrophobicContact CG-CG 4.14Å; R45-E104 IonicContact NH2-OE1 2.84Å; R45-D144 WeakPolarHBondContact CD-OD2 3.05Å; R45-D144 IonicContact CZ-OD2 3.32Å; R45-D144 IonicContact NE-OD2 3.97Å; R45-D144 IonicContact NH1-OD2 2.66Å; R45-D144 PolarHBondContact NH1-OD2 3.26Å; R45-Q145 PolarHBondContact O-NE2 3.14Å |
| 46 | E | 84.7 | Confident | 79.4 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | trans | -65.2 | 127.1 | 177.1 | -173 | -173.8 | -163.7 | 0 | 0 | 111.1 | A42 R43 K44 R48 | A42-E46 PolarHBondContact O-N 3.13Å; A42-E46 VanDerWaalsContact O-N 3.12Å; R43-E46 WeakPolarHBondContact O-CB 3.19Å; K44-E46 VanDerWaalsContact C-N 3.28Å; K44-E46 PolarHBondContact O-N 3.31Å; E46-R48 HydrophobicContact CG-CG 4.27Å; E46-R48 IonicContact OE2-CZ 3.22Å; E46-R48 VanDerWaalsContact OE2-CZ 3.25Å; E46-R48 IonicContact OE2-NE 2.66Å; E46-R48 PolarHBondContact OE2-NE 2.84Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.97Å | ||
| 47 | V | 85.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -78.8 | 122.4 | 172.4 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | R45 A99 L101 Q145 Q148 W149 | R45-V47 PolarHBondContact O-N 3.07Å; V47-A99 HydrophobicContact CG1-CB 4.48Å; V47-L101 HydrophobicContact CB-CD2 4.39Å; V47-L101 HydrophobicContact CG1-CD2 3.86Å; V47-L101 HydrophobicContact CG2-CD2 3.73Å; V47-Q145 HydrophobicContact CG2-CB 3.78Å; V47-Q145 HydrophobicContact CG2-CG 4.24Å; V47-Q148 HydrophobicContact CB-CB 4.05Å; V47-Q148 HydrophobicContact CG2-CB 3.85Å; V47-W149 HydrophobicContact CG1-CB 4.31Å | ||
| 48 | R | 85.9 | Confident | 78.4 | Confident | 124 Ų | 124 | 85.5 Ų | 85.5 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.2 | -179.9 | -64.2 | -176 | -179.6 | 179.7 | 1.7 | 111.4 | E46 L50 A99 K100 | E46-R48 HydrophobicContact CG-CG 4.27Å; E46-R48 IonicContact OE2-CZ 3.22Å; E46-R48 VanDerWaalsContact OE2-CZ 3.25Å; E46-R48 IonicContact OE2-NE 2.66Å; E46-R48 PolarHBondContact OE2-NE 2.84Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.97Å; R48-L50 HydrophobicContact CB-CD2 4.44Å; R48-A99 CarbonylContact O-C 3.59Å; R48-A99 WeakPolarHBondContact O-CA 3.14Å; R48-K100 PolarHBondContact N-O 2.99Å; R48-K100 PolarHBondContact O-N 2.92Å |
| 49 | L | 86.1 | Confident | 78 | Confident | 7 Ų | 7 | 88.5 Ų | 88.5 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.3 | 166.3 | -68.5 | -179.9 | 0 | 0 | 0 | 109.5 | S57 L58 L62 C98 A99 F123 K152 V153 | L49-S57 CarbonylContact O-C 3.51Å; L49-S57 VanDerWaalsContact O-CA 3.27Å; L49-S57 WeakPolarHBondContact O-CA 3.33Å; L49-L58 HydrophobicContact CB-CB 3.78Å; L49-L58 PolarHBondContact O-N 3.08Å; L49-L62 HydrophobicContact CD1-CB 3.94Å; L49-C98 CarbonylContact C-O 3.53Å; L49-C98 WeakPolarHBondContact CA-O 3.07Å; L49-A99 HydrophobicContact CD2-CB 3.83Å; L49-F123 HydrophobicContact CD2-CD2 4.31Å; L49-F123 HydrophobicContact CD2-CE2 3.52Å; L49-F123 HydrophobicContact CD2-CZ 4.17Å; L49-K152 HydrophobicContact CD1-CB 3.99Å; L49-K152 WeakPolarHBondContact CD1-O 3.5Å; L49-K152 HydrophobicContact CG-CB 3.96Å; L49-V153 HydrophobicContact CD2-CG2 4.42Å |
| 50 | L | 84.6 | Confident | 77.8 | Confident | 26 Ų | 26 | 87.6 Ų | 87.6 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.4 | 179.9 | -57.1 | 177.9 | 0 | 0 | 0 | 109.4 | R48 G97 C98 K100 | R48-L50 HydrophobicContact CB-CD2 4.44Å; L50-G97 CarbonylContact O-C 3.53Å; L50-G97 WeakPolarHBondContact O-CA 3.14Å; L50-C98 PolarHBondContact N-O 2.96Å; L50-C98 PolarHBondContact O-N 2.86Å; L50-K100 HydrophobicContact CD1-CB 3.91Å; L50-K100 HydrophobicContact CD1-CD 4.09Å; L50-K100 HydrophobicContact CG-CB 4.41Å |
| 51 | R | 80.9 | Confident | 77.8 | Confident | 91 Ų | 91 | 83.9 Ų | 83.9 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | trans | -80.8 | 119.5 | 164 | 176.3 | 179 | -87.8 | -173.8 | -8.3 | 108.2 | Q53 T54 K55 T56 L58 | R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 2.91Å; R51-T54 WeakPolarHBondContact CD-OG1 3.36Å; R51-T54 PolarHBondContact O-N 3.06Å; R51-K55 VanDerWaalsContact O-CA 3.3Å; R51-K55 WeakPolarHBondContact O-CA 3.23Å; R51-K55 PolarHBondContact O-N 2.85Å; R51-T56 PolarHBondContact N-O 2.65Å; R51-L58 HydrophobicContact CB-CD1 4.32Å | ||
| 52 | R | 67.4 | Low | 78 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 41% | 0.408 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.8 | -171.9 | -166.1 | 167 | -175 | 174.6 | 4.3 | 114 | T54 E95 | R52-T54 VanDerWaalsContact C-N 3.31Å; R52-T54 PolarHBondContact O-N 2.75Å; R52-E95 WeakPolarHBondContact CD-OE1 3.45Å; R52-E95 WeakPolarHBondContact CD-OE2 3.37Å; R52-E95 IonicContact CZ-OE1 3.83Å; R52-E95 IonicContact CZ-OE2 3.95Å; R52-E95 IonicContact NE-OE1 3.25Å; R52-E95 IonicContact NE-OE2 2.77Å; R52-E95 VanDerWaalsContact NH1-CD 3.34Å; R52-E95 IonicContact NH1-OE1 2.82Å; R52-E95 PolarHBondContact NH1-OE1 3.24Å; R52-E95 IonicContact NH1-OE2 3.76Å; R52-E95 PolarHBondContact NH1-OE2 3.45Å |
| 53 | Q | 61.9 | Low | 78.3 | Confident | 160 Ų | 160 | 78.3 Ų | 78.3 | 75% | 0.748 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33 | 179.7 | -67.8 | 178.9 | -1 | 0 | 0 | 113.3 | R51 | R51-Q53 VanDerWaalsContact C-N 3.32Å; R51-Q53 PolarHBondContact O-N 2.91Å |
| 54 | T | 64 | Low | 78.5 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -8 | -172.6 | 51 | 0 | 0 | 0 | 0 | 113.5 | R51 R52 T56 | R51-T54 WeakPolarHBondContact CD-OG1 3.36Å; R51-T54 PolarHBondContact O-N 3.06Å; R52-T54 VanDerWaalsContact C-N 3.31Å; R52-T54 PolarHBondContact O-N 2.75Å; T54-T56 PolarHBondContact O-N 2.93Å; T54-T56 PolarHBondContact OG1-OG1 2.83Å |
| 55 | K | 65.9 | Low | 78.8 | Confident | 166 Ų | 166 | 72.4 Ų | 72.4 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | trans | 50 | 14.2 | -169.3 | -66 | -174.7 | 177.4 | -177.6 | 0 | 114.6 | R51 | R51-K55 VanDerWaalsContact O-CA 3.3Å; R51-K55 WeakPolarHBondContact O-CA 3.23Å; R51-K55 PolarHBondContact O-N 2.85Å | ||
| 56 | T | 73.9 | Confident | 79 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 139.9 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | R51 T54 | R51-T56 PolarHBondContact N-O 2.65Å; T54-T56 PolarHBondContact O-N 2.93Å; T54-T56 PolarHBondContact OG1-OG1 2.83Å |
| 57 | S | 75.4 | Confident | 79 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -63.6 | 135.8 | 172.9 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | L49 | L49-S57 CarbonylContact O-C 3.51Å; L49-S57 VanDerWaalsContact O-CA 3.27Å; L49-S57 WeakPolarHBondContact O-CA 3.33Å |
| 58 | L | 75.7 | Confident | 79.3 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 116.8 | 163.3 | -122.2 | 82.4 | 0 | 0 | 0 | 107.6 | L49 R51 V60 L62 K65 | L49-L58 HydrophobicContact CB-CB 3.78Å; L49-L58 PolarHBondContact O-N 3.08Å; R51-L58 HydrophobicContact CB-CD1 4.32Å; L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 WeakPolarHBondContact CD2-O 3.34Å; L58-L62 HydrophobicContact CD2-CD1 4.42Å; L58-K65 HydrophobicContact CD2-CD 3.89Å; L58-K65 HydrophobicContact CG-CD 4.41Å |
| 59 | E | 73.3 | Confident | 79.6 | Confident | 183 Ų | 183 | 67.5 Ų | 67.5 | 86% | 0.855 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -75.6 | -28 | 175.9 | -64.8 | -176.6 | 168.5 | 0 | 0 | 112.3 | ||
| 60 | V | 80.1 | Confident | 80 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -98.3 | 149.5 | 179.6 | -173.8 | 0 | 0 | 0 | 0 | 110 | L58 E64 K65 | L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 WeakPolarHBondContact CD2-O 3.34Å; V60-E64 HydrophobicContact CG1-CB 4.3Å; V60-K65 HydrophobicContact CG1-CB 4.31Å |
| 61 | S | 83.3 | Confident | 80.6 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | trans | -61 | 149.7 | 173.9 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | E64 K65 K152 G155 | S61-E64 WeakPolarHBondContact OG-CB 3.38Å; S61-E64 WeakPolarHBondContact OG-CG 3.44Å; S61-E64 PolarHBondContact OG-OE2 3.37Å; S61-K65 WeakPolarHBondContact O-CB 3.42Å; S61-K65 PolarHBondContact O-N 2.83Å; S61-K152 CarbonylContact C-O 3.58Å; S61-K152 WeakPolarHBondContact CA-O 3.39Å; S61-K152 WeakPolarHBondContact CB-O 3.45Å; S61-G155 WeakPolarHBondContact OG-CA 3.43Å | ||
| 62 | L | 86.1 | Confident | 81.3 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -52.5 | -171.9 | -175 | 73.1 | 0 | 0 | 0 | 111.7 | L49 L58 K65 Y66 V96 F123 K152 V153 | L49-L62 HydrophobicContact CD1-CB 3.94Å; L58-L62 HydrophobicContact CD2-CD1 4.42Å; L62-K65 PolarHBondContact O-N 3.37Å; L62-Y66 HydrophobicContact CD1-CD2 4.21Å; L62-Y66 HydrophobicContact CD1-CE2 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.1Å; L62-Y66 PolarHBondContact O-N 3.32Å; L62-V96 HydrophobicContact CD1-CG1 3.92Å; L62-F123 HydrophobicContact CD2-CB 3.8Å; L62-F123 HydrophobicContact CD2-CD1 3.45Å; L62-F123 VanDerWaalsContact CD2-CD1 3.45Å; L62-F123 HydrophobicContact CD2-CD2 3.97Å; L62-F123 HydrophobicContact CD2-CE1 3.97Å; L62-F123 HydrophobicContact CD2-CE2 4.43Å; L62-F123 HydrophobicContact CD2-CG 3.46Å; L62-F123 VanDerWaalsContact CD2-CG 3.46Å; L62-F123 HydrophobicContact CD2-CZ 4.44Å; L62-K152 PolarHBondContact N-O 2.81Å; L62-V153 PolarHBondContact N-O 2.99Å |
| 63 | L | 87 | Confident | 82.8 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -83.5 | -10.5 | -172.8 | -59.1 | -179.8 | 0 | 0 | 0 | 113.7 | C68 F71 F133 V153 F154 R159 M162 | L63-C68 HydrophobicContact CD2-CB 3.89Å; L63-F71 HydrophobicContact CD1-CD1 3.68Å; L63-F71 HydrophobicContact CD1-CE1 3.9Å; L63-F71 HydrophobicContact CD1-CG 4.31Å; L63-F133 HydrophobicContact CD2-CD1 4.48Å; L63-F133 HydrophobicContact CD2-CG 4.33Å; L63-V153 WeakPolarHBondContact CB-O 3.28Å; L63-V153 HydrophobicContact CD1-CG1 4.24Å; L63-V153 HydrophobicContact CG-CG1 4.4Å; L63-V153 VanDerWaalsContact CG-O 3.23Å; L63-V153 WeakPolarHBondContact CG-O 3.35Å; L63-V153 PolarHBondContact N-O 3.14Å; L63-F154 HydrophobicContact CD1-CD1 3.76Å; L63-F154 HydrophobicContact CD1-CE1 3.97Å; L63-F154 HydrophobicContact CD1-CG 4.26Å; L63-R159 PolarHBondContact O-NE 2.76Å; L63-M162 HydrophobicContact CD1-CE 4.1Å; L63-M162 HydrophobicContact CD1-SD 3.89Å |
| 64 | E | 85.5 | Confident | 84.5 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.2 | -41.5 | 165.2 | -70.5 | 170 | 164.2 | 0 | 0 | 110.5 | V60 S61 Y66 G155 S156 C157 R159 | V60-E64 HydrophobicContact CG1-CB 4.3Å; S61-E64 WeakPolarHBondContact OG-CB 3.38Å; S61-E64 WeakPolarHBondContact OG-CG 3.44Å; S61-E64 PolarHBondContact OG-OE2 3.37Å; E64-Y66 PolarHBondContact O-N 3.4Å; E64-G155 WeakPolarHBondContact OE1-CA 3.39Å; E64-S156 PolarHBondContact OE1-N 2.92Å; E64-C157 PolarHBondContact OE1-N 3.49Å; E64-R159 PolarHBondContact O-NH2 3.37Å |
| 65 | K | 85.6 | Confident | 86 | Confident | 94 Ų | 94 | 49 Ų | 49 | 41% | 0.409 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65 | -38 | -179.5 | -175.7 | 175.2 | -179.4 | 175.1 | 0 | 113.2 | L58 V60 S61 L62 | L58-K65 HydrophobicContact CD2-CD 3.89Å; L58-K65 HydrophobicContact CG-CD 4.41Å; V60-K65 HydrophobicContact CG1-CB 4.31Å; S61-K65 WeakPolarHBondContact O-CB 3.42Å; S61-K65 PolarHBondContact O-N 2.83Å; L62-K65 PolarHBondContact O-N 3.37Å |
| 66 | Y | 85.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 18% | 0.18 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -111 | 144.1 | -176.2 | -64.4 | -82.6 | 0 | 0 | 0 | 112.1 | L62 E64 C68 V96 F133 | L62-Y66 HydrophobicContact CD1-CD2 4.21Å; L62-Y66 HydrophobicContact CD1-CE2 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.1Å; L62-Y66 PolarHBondContact O-N 3.32Å; E64-Y66 PolarHBondContact O-N 3.4Å; Y66-C68 PolarHBondContact O-N 3.47Å; Y66-V96 HydrophobicContact CD2-CG1 4.12Å; Y66-V96 HydrophobicContact CE1-CG1 4.37Å; Y66-V96 HydrophobicContact CE2-CG1 3.37Å; Y66-F133 HydrophobicContact CD1-CZ 4.25Å; Y66-F133 HydrophobicContact CD2-CE1 4.45Å; Y66-F133 HydrophobicContact CD2-CZ 4.13Å; Y66-F133 HydrophobicContact CG-CE1 4.41Å; Y66-F133 AromaticContact CG-CZ 3.67Å; Y66-F133 HydrophobicContact CG-CZ 3.67Å |
| 67 | P | 85.6 | Confident | 88 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | trans | -63.1 | 130.3 | 168.6 | 28.4 | -32.5 | 0 | 0 | 0 | 108.9 | S131 | P67-S131 WeakPolarHBondContact O-CA 3.2Š| ||
| 68 | C | 91.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | trans | -135.3 | 124.8 | 177.5 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | L63 Y66 K70 S131 F133 M162 | L63-C68 HydrophobicContact CD2-CB 3.89Å; Y66-C68 PolarHBondContact O-N 3.47Å; C68-K70 PolarHBondContact SG-O 2.95Å; C68-S131 CarbonylContact C-O 3.57Å; C68-S131 WeakPolarHBondContact CA-O 3.28Å; C68-F133 HydrophobicContact CB-CD2 4.2Å; C68-M162 HydrophobicContact CB-SD 3.97Å | ||
| 69 | S | 93.3 | Very high | 89.8 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -110.3 | -31.6 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 112 | S131 M162 Q163 | S69-S131 PolarHBondContact N-O 3.36Å; S69-S131 PolarHBondContact OG-O 2.82Å; S69-S131 PolarHBondContact OG-OG 3.05Å; S69-M162 CarbonylContact O-C 3.56Å; S69-M162 WeakPolarHBondContact O-CA 3.49Å; S69-Q163 PolarHBondContact O-N 2.79Å |
| 70 | K | 94.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 27% | 0.265 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 128.5 | 176.1 | -65.3 | -175 | -178.3 | -176.3 | 0 | 109.5 | C68 S131 V132 F133 Q163 R257 | C68-K70 PolarHBondContact SG-O 2.95Å; K70-S131 PolarHBondContact N-O 2.96Å; K70-V132 HydrophobicContact CB-CG1 4.33Å; K70-V132 HydrophobicContact CB-CG2 4.41Å; K70-V132 WeakPolarHBondContact O-CA 3.36Å; K70-F133 PolarHBondContact O-N 3.47Å; K70-Q163 WeakPolarHBondContact CA-O 3.32Å; K70-R257 PolarHBondContact NZ-O 2.94Å; K70-R257 VanDerWaalsContact NZ-O 3.13Å |
| 71 | F | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 119.4 | 173.4 | -174.1 | -145.6 | 0 | 0 | 0 | 110.2 | L63 I73 F123 F133 C135 V153 F154 M162 Q163 I164 T165 | L63-F71 HydrophobicContact CD1-CD1 3.68Å; L63-F71 HydrophobicContact CD1-CE1 3.9Å; L63-F71 HydrophobicContact CD1-CG 4.31Å; F71-I73 HydrophobicContact CD1-CD1 3.88Å; F71-I73 HydrophobicContact CD1-CG1 3.95Å; F71-I73 HydrophobicContact CD2-CG1 4.47Å; F71-I73 HydrophobicContact CE1-CD1 3.63Å; F71-I73 HydrophobicContact CE1-CG1 3.75Å; F71-I73 HydrophobicContact CE2-CG1 4.31Å; F71-I73 HydrophobicContact CG-CG1 4.32Å; F71-I73 HydrophobicContact CZ-CD1 4.27Å; F71-I73 HydrophobicContact CZ-CG1 3.96Å; F71-F123 HydrophobicContact CE2-CD1 4.41Å; F71-F123 HydrophobicContact CZ-CD1 4.18Å; F71-F123 HydrophobicContact CZ-CE1 4.12Å; F71-F133 WeakPolarHBondContact CA-O 3.48Å; F71-F133 HydrophobicContact CD2-CB 3.42Å; F71-F133 VanDerWaalsContact CD2-CB 3.42Å; F71-F133 HydrophobicContact CE2-CB 3.94Å; F71-F133 HydrophobicContact CG-CB 4.32Å; F71-C135 HydrophobicContact CE2-CB 3.66Å; F71-C135 HydrophobicContact CZ-CB 3.64Å; F71-V153 HydrophobicContact CE1-CG1 3.67Å; F71-V153 HydrophobicContact CZ-CG1 3.88Å; F71-F154 HydrophobicContact CD1-CE1 4.17Å; F71-F154 AromaticContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CE1-CE2 4.4Å; F71-F154 HydrophobicContact CE1-CZ 4.01Å; F71-M162 HydrophobicContact CB-SD 4.2Å; F71-Q163 PolarHBondContact N-O 3.38Å; F71-I164 HydrophobicContact CB-CD1 3.63Å; F71-I164 HydrophobicContact CD1-CD1 4.04Å; F71-I164 HydrophobicContact CG-CD1 4.34Å; F71-I164 WeakPolarHBondContact O-CA 3.25Å; F71-T165 PolarHBondContact O-N 3.28Å |
| 72 | I | 97.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.1 | -177.3 | -60.2 | 161.1 | 0 | 0 | 0 | 108.1 | L83 F133 L134 C135 T165 L259 L262 | I72-L83 HydrophobicContact CG2-CD1 3.89Å; I72-L83 HydrophobicContact CG2-CD2 4.14Å; I72-F133 PolarHBondContact N-O 3.49Å; I72-L134 HydrophobicContact CB-CD2 3.52Å; I72-L134 HydrophobicContact CD1-CD2 4.06Å; I72-L134 HydrophobicContact CG1-CD2 4.38Å; I72-L134 HydrophobicContact CG2-CD2 3.72Å; I72-L134 CarbonylContact O-C 3.6Å; I72-L134 VanDerWaalsContact O-CA 3.27Å; I72-L134 WeakPolarHBondContact O-CA 3.45Å; I72-C135 PolarHBondContact O-N 3.5Å; I72-T165 CarbonylContact C-O 3.56Å; I72-T165 VanDerWaalsContact CA-O 3.28Å; I72-T165 WeakPolarHBondContact CA-O 3.46Å; I72-L259 HydrophobicContact CD1-CD1 4.36Å; I72-L259 HydrophobicContact CD1-CG 4.37Å; I72-L262 HydrophobicContact CD1-CD1 3.57Å |
| 73 | I | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.7 | -173.7 | -50.8 | 172.1 | 0 | 0 | 0 | 108.1 | F71 I75 C135 W149 F154 I164 T165 I166 L167 V219 | F71-I73 HydrophobicContact CD1-CD1 3.88Å; F71-I73 HydrophobicContact CD1-CG1 3.95Å; F71-I73 HydrophobicContact CD2-CG1 4.47Å; F71-I73 HydrophobicContact CE1-CD1 3.63Å; F71-I73 HydrophobicContact CE1-CG1 3.75Å; F71-I73 HydrophobicContact CE2-CG1 4.31Å; F71-I73 HydrophobicContact CG-CG1 4.32Å; F71-I73 HydrophobicContact CZ-CD1 4.27Å; F71-I73 HydrophobicContact CZ-CG1 3.96Å; I73-I75 HydrophobicContact CG2-CD1 3.98Å; I73-I75 HydrophobicContact CG2-CG1 3.75Å; I73-C135 HydrophobicContact CB-CB 4.32Å; I73-C135 HydrophobicContact CG1-CB 4.17Å; I73-C135 HydrophobicContact CG2-CB 4Å; I73-W149 HydrophobicContact CD1-CH2 4.47Å; I73-F154 HydrophobicContact CD1-CZ 4.29Å; I73-I164 HydrophobicContact CD1-CG2 4.17Å; I73-T165 PolarHBondContact N-O 3.47Å; I73-I166 CarbonylContact O-C 3.48Å; I73-I166 WeakPolarHBondContact O-CA 3.43Å; I73-L167 PolarHBondContact O-N 2.95Å; I73-V219 HydrophobicContact CD1-CG1 3.86Å; I73-V219 HydrophobicContact CD1-CG2 4.34Å |
| 74 | A | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A79 V80 L83 C135 C137 L167 | A74-A79 HydrophobicContact CB-CB 3.9Å; A74-A79 WeakPolarHBondContact CB-O 3.49Å; A74-V80 HydrophobicContact CB-CG2 3.95Å; A74-L83 HydrophobicContact CB-CD1 3.34Å; A74-L83 HydrophobicContact CB-CG 3.92Å; A74-C135 PolarHBondContact N-O 3.45Å; A74-C137 PolarHBondContact O-N 2.78Å; A74-L167 WeakPolarHBondContact CA-O 2.85Å |
| 75 | I | 95.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.1 | -178.7 | -55.2 | 171.1 | 0 | 0 | 0 | 108.4 | I73 C137 I166 L167 T168 L215 P216 | I73-I75 HydrophobicContact CG2-CD1 3.98Å; I73-I75 HydrophobicContact CG2-CG1 3.75Å; I75-C137 WeakPolarHBondContact CA-O 3.35Å; I75-C137 HydrophobicContact CG1-CB 4.26Å; I75-I166 HydrophobicContact CD1-CG2 3.93Å; I75-L167 PolarHBondContact N-O 3.3Å; I75-T168 WeakPolarHBondContact O-CA 3.03Å; I75-T168 WeakPolarHBondContact O-CB 3.43Å; I75-T168 PolarHBondContact O-OG1 3.1Å; I75-L215 HydrophobicContact CD1-CB 4.2Å; I75-L215 HydrophobicContact CD1-CD2 3.81Å; I75-L215 HydrophobicContact CD1-CG 3.87Å; I75-L215 HydrophobicContact CG1-CD2 4.26Å; I75-P216 HydrophobicContact CB-CG 4.43Å; I75-P216 HydrophobicContact CD1-CB 4.21Å; I75-P216 HydrophobicContact CD1-CG 3.67Å; I75-P216 HydrophobicContact CG2-CG 4.33Å |
| 76 | G | 91.6 | Very high | 92.8 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 28% | 0.278 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 96 | 158.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N78 A79 V80 C137 | G76-N78 PolarHBondContact O-N 3.45Å; G76-A79 PolarHBondContact O-N 2.82Å; G76-V80 WeakPolarHBondContact O-CB 3.45Å; G76-V80 VanDerWaalsContact O-CG2 3.3Å; G76-V80 WeakPolarHBondContact O-CG2 3.35Å; G76-V80 PolarHBondContact O-N 2.91Å; G76-C137 PolarHBondContact N-O 2.88Å |
| 77 | N | 90.6 | Very high | 93 | Very high | 86 Ų | 86 | 18.3 Ų | 18.3 | 46% | 0.46 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60 | -45 | -168.9 | -66.4 | -21.1 | 0 | 0 | 0 | 113.5 | V80 A81 L242 | N77-V80 PolarHBondContact O-N 3.33Å; N77-A81 VanDerWaalsContact O-CB 3.28Å; N77-A81 WeakPolarHBondContact O-CB 3.44Å; N77-A81 PolarHBondContact O-N 3.43Å; N77-L242 HydrophobicContact CB-CB 4.35Å; N77-L242 HydrophobicContact CB-CD1 4.4Å |
| 78 | N | 93.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 179.1 | -77.9 | -43.8 | 0 | 0 | 0 | 112.2 | G76 V80 A81 F82 C169 K241 L242 D243 T246 V247 | G76-N78 PolarHBondContact O-N 3.45Å; N78-V80 PolarHBondContact O-N 2.75Å; N78-A81 PolarHBondContact O-N 3.36Å; N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 2.9Å; N78-C169 WeakPolarHBondContact CB-SG 3.32Å; N78-K241 PolarHBondContact ND2-O 2.77Å; N78-L242 WeakPolarHBondContact OD1-CA 3.34Å; N78-L242 WeakPolarHBondContact OD1-CD1 3.48Å; N78-D243 PolarHBondContact OD1-N 3.34Å; N78-D243 PolarHBondContact OD1-O 2.87Å; N78-T246 HydrophobicContact CB-CG2 3.97Å; N78-V247 HydrophobicContact CB-CG2 4.16Å; N78-V247 WeakPolarHBondContact OD1-CG2 3.34Å |
| 79 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A74 G76 F82 L83 L167 F250 | A74-A79 HydrophobicContact CB-CB 3.9Å; A74-A79 WeakPolarHBondContact CB-O 3.49Å; G76-A79 PolarHBondContact O-N 2.82Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.34Å; A79-L83 PolarHBondContact O-N 2.93Å; A79-L83 VanDerWaalsContact O-N 3.13Å; A79-L167 HydrophobicContact CB-CB 3.97Å; A79-L167 WeakPolarHBondContact CB-O 3.12Å; A79-F250 HydrophobicContact CB-CZ 4.26Å |
| 80 | V | 93.3 | Very high | 91.5 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 11% | 0.109 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | A74 G76 N77 N78 F82 L83 S84 Q136 | A74-V80 HydrophobicContact CB-CG2 3.95Å; G76-V80 WeakPolarHBondContact O-CB 3.45Å; G76-V80 VanDerWaalsContact O-CG2 3.3Å; G76-V80 WeakPolarHBondContact O-CG2 3.35Å; G76-V80 PolarHBondContact O-N 2.91Å; N77-V80 PolarHBondContact O-N 3.33Å; N78-V80 PolarHBondContact O-N 2.75Å; V80-F82 VanDerWaalsContact C-N 3.32Å; V80-F82 PolarHBondContact O-N 2.86Å; V80-L83 PolarHBondContact O-N 2.95Å; V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; V80-S84 PolarHBondContact O-OG 2.88Å; V80-S84 VanDerWaalsContact O-OG 3.1Å; V80-Q136 HydrophobicContact CG1-CB 4.11Å; V80-Q136 HydrophobicContact CG1-CG 4.24Å; V80-Q136 HydrophobicContact CG2-CB 4.13Å |
| 81 | A | 92.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N77 N78 L83 S84 S85 L242 V247 L273 | N77-A81 VanDerWaalsContact O-CB 3.28Å; N77-A81 WeakPolarHBondContact O-CB 3.44Å; N77-A81 PolarHBondContact O-N 3.43Å; N78-A81 PolarHBondContact O-N 3.36Å; A81-L83 PolarHBondContact O-N 3.44Å; A81-S84 PolarHBondContact O-N 3.13Å; A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 2.95Å; A81-S85 PolarHBondContact O-OG 3.05Å; A81-L242 HydrophobicContact CB-CD1 3.51Å; A81-V247 HydrophobicContact CB-CG2 4.04Å; A81-L273 HydrophobicContact CB-CD1 4.39Å |
| 82 | F | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.5 | -52.7 | 173.2 | 176.5 | -106.7 | 0 | 0 | 0 | 112.2 | N78 A79 V80 S84 S85 F86 L167 V247 F250 L254 L259 | N78-F82 WeakPolarHBondContact O-CB 3.32Å; N78-F82 PolarHBondContact O-N 2.9Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.34Å; V80-F82 VanDerWaalsContact C-N 3.32Å; V80-F82 PolarHBondContact O-N 2.86Å; F82-S84 PolarHBondContact O-N 2.79Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-F86 AromaticContact CD2-CD2 3.43Å; F82-F86 HydrophobicContact CD2-CD2 3.43Å; F82-F86 VanDerWaalsContact CD2-CD2 3.43Å; F82-F86 AromaticContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CG 4.32Å; F82-F86 HydrophobicContact CE2-CB 4.46Å; F82-F86 AromaticContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CE2 4.15Å; F82-F86 HydrophobicContact CE2-CG 4.17Å; F82-F86 HydrophobicContact CG-CD2 4.29Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 2.81Å; F82-L167 HydrophobicContact CD1-CD1 3.86Å; F82-L167 HydrophobicContact CE1-CD1 4.03Å; F82-V247 HydrophobicContact CB-CG1 3.9Å; F82-V247 HydrophobicContact CD2-CG1 4.29Å; F82-F250 HydrophobicContact CB-CB 4.38Å; F82-F250 HydrophobicContact CB-CD2 4.39Å; F82-F250 HydrophobicContact CD1-CB 3.8Å; F82-F250 HydrophobicContact CD1-CG 4.37Å; F82-F250 HydrophobicContact CD2-CB 3.49Å; F82-F250 VanDerWaalsContact CD2-CB 3.49Å; F82-F250 HydrophobicContact CD2-CG 4.49Å; F82-F250 HydrophobicContact CE1-CB 3.83Å; F82-F250 HydrophobicContact CE2-CB 3.53Å; F82-F250 HydrophobicContact CG-CB 3.61Å; F82-F250 HydrophobicContact CG-CD2 4.49Å; F82-F250 HydrophobicContact CG-CG 4.23Å; F82-F250 HydrophobicContact CZ-CB 3.67Å; F82-F250 VanDerWaalsContact CZ-O 3.25Å; F82-F250 WeakPolarHBondContact CZ-O 3.45Å; F82-L254 HydrophobicContact CE1-CD2 4.16Å; F82-L254 HydrophobicContact CE2-CD1 4.38Å; F82-L254 HydrophobicContact CE2-CD2 3.96Å; F82-L254 HydrophobicContact CE2-CG 4.12Å; F82-L254 HydrophobicContact CZ-CD1 4.47Å; F82-L254 HydrophobicContact CZ-CD2 3.39Å; F82-L254 HydrophobicContact CZ-CG 3.73Å; F82-L259 HydrophobicContact CE1-CD2 4.16Å |
| 83 | L | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.5 | -71.6 | -172.6 | 0 | 0 | 0 | 112.2 | I72 A74 A79 V80 A81 S85 V87 M88 L134 L167 L259 | I72-L83 HydrophobicContact CG2-CD1 3.89Å; I72-L83 HydrophobicContact CG2-CD2 4.14Å; A74-L83 HydrophobicContact CB-CD1 3.34Å; A74-L83 HydrophobicContact CB-CG 3.92Å; A79-L83 PolarHBondContact O-N 2.93Å; A79-L83 VanDerWaalsContact O-N 3.13Å; V80-L83 PolarHBondContact O-N 2.95Å; A81-L83 PolarHBondContact O-N 3.44Å; L83-S85 VanDerWaalsContact C-N 3.35Å; L83-S85 PolarHBondContact O-N 2.95Å; L83-V87 HydrophobicContact CD2-CB 4.28Å; L83-V87 HydrophobicContact CD2-CG2 3.73Å; L83-V87 CarbonylContact O-C 3.6Å; L83-V87 WeakPolarHBondContact O-CA 3.4Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 PolarHBondContact O-N 2.8Å; L83-M88 PolarHBondContact O-N 2.97Å; L83-L134 HydrophobicContact CD1-CD2 3.95Å; L83-L167 HydrophobicContact CD1-CD1 4.36Å; L83-L167 HydrophobicContact CD2-CD1 3.73Å; L83-L167 HydrophobicContact CG-CD1 3.97Å; L83-L259 HydrophobicContact CD2-CD2 4.16Å |
| 84 | S | 91.1 | Very high | 89.1 | Confident | 36 Ų | 36 | 25.1 Ų | 25.1 | 25% | 0.252 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 177.1 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | V80 A81 F82 N89 Q136 | V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.99Å; V80-S84 PolarHBondContact O-OG 2.88Å; V80-S84 VanDerWaalsContact O-OG 3.1Å; A81-S84 PolarHBondContact O-N 3.13Å; F82-S84 PolarHBondContact O-N 2.79Å; S84-N89 PolarHBondContact O-N 2.85Å; S84-Q136 PolarHBondContact OG-NE2 2.9Å |
| 85 | S | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.5 | -44.6 | -175.7 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | A81 F82 L83 N89 S269 L273 L276 | A81-S85 WeakPolarHBondContact O-CB 3.32Å; A81-S85 PolarHBondContact O-N 2.95Å; A81-S85 PolarHBondContact O-OG 3.05Å; F82-S85 PolarHBondContact O-N 2.81Å; L83-S85 VanDerWaalsContact C-N 3.35Å; L83-S85 PolarHBondContact O-N 2.95Å; S85-N89 WeakPolarHBondContact O-CB 3.15Å; S85-S269 VanDerWaalsContact O-CB 3.25Å; S85-S269 WeakPolarHBondContact O-CB 3.04Å; S85-S269 PolarHBondContact O-OG 3.32Å; S85-L273 WeakPolarHBondContact OG-CA 3.44Å; S85-L273 WeakPolarHBondContact OG-CB 3.06Å; S85-L276 WeakPolarHBondContact OG-CD1 3.41Å |
| 86 | F | 90.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -98.7 | -19.4 | -169.8 | -67.2 | -82.3 | 0 | 0 | 0 | 114.6 | F82 V247 K251 L254 I266 T270 L273 | F82-F86 AromaticContact CD2-CD2 3.43Å; F82-F86 HydrophobicContact CD2-CD2 3.43Å; F82-F86 VanDerWaalsContact CD2-CD2 3.43Å; F82-F86 AromaticContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CE2 3.84Å; F82-F86 HydrophobicContact CD2-CG 4.32Å; F82-F86 HydrophobicContact CE2-CB 4.46Å; F82-F86 AromaticContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CD2 3.68Å; F82-F86 HydrophobicContact CE2-CE2 4.15Å; F82-F86 HydrophobicContact CE2-CG 4.17Å; F82-F86 HydrophobicContact CG-CD2 4.29Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 2.81Å; F86-V247 HydrophobicContact CE2-CG1 4.36Å; F86-K251 HydrophobicContact CZ-CG 4.43Å; F86-L254 HydrophobicContact CB-CD1 4.35Å; F86-L254 HydrophobicContact CB-CD2 3.7Å; F86-L254 HydrophobicContact CD1-CD1 3.79Å; F86-L254 HydrophobicContact CE1-CD1 4.35Å; F86-L254 HydrophobicContact CG-CD1 4.14Å; F86-L254 HydrophobicContact CG-CD2 4.29Å; F86-I266 HydrophobicContact CE1-CG2 4.39Å; F86-T270 HydrophobicContact CE1-CG2 4.1Å; F86-T270 HydrophobicContact CZ-CG2 4.14Å; F86-L273 HydrophobicContact CE2-CD2 3.94Å; F86-L273 HydrophobicContact CZ-CD2 4.28Å |
| 87 | V | 89.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -42.9 | -175 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | L83 W93 L134 L259 L262 | L83-V87 HydrophobicContact CD2-CB 4.28Å; L83-V87 HydrophobicContact CD2-CG2 3.73Å; L83-V87 CarbonylContact O-C 3.6Å; L83-V87 WeakPolarHBondContact O-CA 3.4Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 PolarHBondContact O-N 2.8Å; V87-W93 HydrophobicContact CG1-CZ2 3.7Å; V87-W93 PolarHBondContact O-NE1 2.94Å; V87-L134 HydrophobicContact CG1-CD1 4.1Å; V87-L259 HydrophobicContact CG2-CD2 3.78Å; V87-L262 HydrophobicContact CG1-CB 3.9Å; V87-L262 HydrophobicContact CG1-CD1 4.31Å |
| 88 | M | 87.9 | Confident | 88.1 | Confident | 32 Ų | 32 | 22.5 Ų | 22.5 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -89.8 | -9.1 | -173 | -64.5 | -175.8 | 65.1 | 0 | 0 | 115.7 | L83 S90 W93 Y124 L134 Q136 | L83-M88 PolarHBondContact O-N 2.97Å; M88-S90 PolarHBondContact O-N 3.44Å; M88-W93 VanDerWaalsContact CA-CD1 3.49Å; M88-W93 HydrophobicContact CE-CB 4.11Å; M88-W93 HydrophobicContact CE-CG 4.37Å; M88-W93 HydrophobicContact CG-CD2 4.43Å; M88-W93 HydrophobicContact CG-CG 4.18Å; M88-Y124 HydrophobicContact CE-CD1 3.66Å; M88-Y124 HydrophobicContact CE-CD2 3.71Å; M88-Y124 HydrophobicContact CE-CE1 3.91Å; M88-Y124 HydrophobicContact CE-CE2 3.97Å; M88-Y124 HydrophobicContact CE-CG 3.57Å; M88-Y124 HydrophobicContact SD-CD2 4.39Å; M88-L134 HydrophobicContact CG-CD1 3.51Å; M88-L134 HydrophobicContact SD-CD1 3.79Å; M88-Q136 HydrophobicContact SD-CG 4.21Å; M88-Q136 PolarHBondContact SD-NE2 3.24Å |
| 89 | N | 79.1 | Confident | 87.8 | Confident | 57 Ų | 57 | 22.4 Ų | 22.4 | 31% | 0.305 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -27.4 | -176.4 | 178.4 | 17.5 | 0 | 0 | 0 | 115.2 | S84 S85 G91 I272 | S84-N89 PolarHBondContact O-N 2.85Å; S85-N89 WeakPolarHBondContact O-CB 3.15Å; N89-G91 VanDerWaalsContact C-N 3.34Å; N89-G91 PolarHBondContact O-N 3.03Å; N89-I272 HydrophobicContact CB-CD1 4.15Å; N89-I272 WeakPolarHBondContact ND2-CD1 3.36Å; N89-I272 WeakPolarHBondContact OD1-CD1 3.14Å |
| 90 | S | 71.5 | Confident | 87.3 | Confident | 44 Ų | 44 | 25.9 Ų | 25.9 | 31% | 0.308 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 8.2 | -169.7 | 55.1 | 0 | 0 | 0 | 0 | 116.7 | M88 V92 | M88-S90 PolarHBondContact O-N 3.44Å; S90-V92 WeakPolarHBondContact O-CG1 3.25Å; S90-V92 PolarHBondContact O-N 3.07Å; S90-V92 WeakPolarHBondContact OG-CG2 3.26Å |
| 91 | G | 69.3 | Low | 86.8 | Confident | 55 Ų | 55 | 25.5 Ų | 25.5 | 57% | 0.567 | 15% | 0.15 | S | C | * | . | S | Bend | trans | 65.4 | 2.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | N89 W93 K127 | N89-G91 VanDerWaalsContact C-N 3.34Å; N89-G91 PolarHBondContact O-N 3.03Å; G91-W93 VanDerWaalsContact C-N 3.26Å; G91-W93 PolarHBondContact O-N 2.94Å; G91-K127 PolarHBondContact O-NZ 2.86Å |
| 92 | V | 86.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 29.9 Ų | 29.9 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | trans | -82.6 | 0 | -179.7 | -64 | 0 | 0 | 0 | 0 | 113.4 | S90 L126 K127 | S90-V92 WeakPolarHBondContact O-CG1 3.25Å; S90-V92 PolarHBondContact O-N 3.07Å; S90-V92 WeakPolarHBondContact OG-CG2 3.26Å; V92-L126 HydrophobicContact CB-CD1 3.89Å; V92-L126 HydrophobicContact CG2-CD1 3.38Å; V92-K127 VanDerWaalsContact O-CB 3.28Å; V92-K127 WeakPolarHBondContact O-CB 3.2Å; V92-K127 VanDerWaalsContact O-CG 3.24Å; V92-K127 WeakPolarHBondContact O-CG 3.36Å; V92-K127 PolarHBondContact O-N 2.78Å | ||
| 93 | W | 89.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.9 | 179.4 | -62.6 | 92.3 | 0 | 0 | 0 | 109.7 | V87 M88 G91 H125 L126 V132 L134 L262 | V87-W93 HydrophobicContact CG1-CZ2 3.7Å; V87-W93 PolarHBondContact O-NE1 2.94Å; M88-W93 VanDerWaalsContact CA-CD1 3.49Å; M88-W93 HydrophobicContact CE-CB 4.11Å; M88-W93 HydrophobicContact CE-CG 4.37Å; M88-W93 HydrophobicContact CG-CD2 4.43Å; M88-W93 HydrophobicContact CG-CG 4.18Å; G91-W93 VanDerWaalsContact C-N 3.26Å; G91-W93 PolarHBondContact O-N 2.94Å; W93-H125 WeakPolarHBondContact CA-O 3.25Å; W93-H125 VanDerWaalsContact CE3-C 3.5Å; W93-L126 HydrophobicContact CD2-CD1 4.2Å; W93-L126 HydrophobicContact CE3-CB 4.04Å; W93-L126 HydrophobicContact CE3-CD1 4.48Å; W93-L126 HydrophobicContact CH2-CB 3.98Å; W93-L126 HydrophobicContact CH2-CD1 4.37Å; W93-L126 HydrophobicContact CZ2-CD1 4.07Å; W93-L126 HydrophobicContact CZ3-CB 3.71Å; W93-V132 HydrophobicContact CH2-CG1 3.96Å; W93-V132 HydrophobicContact CZ3-CG1 4.36Å; W93-L134 HydrophobicContact CD2-CD1 3.65Å; W93-L134 HydrophobicContact CE3-CD1 3.53Å; W93-L134 HydrophobicContact CE3-CG 4.06Å; W93-L134 HydrophobicContact CH2-CD1 3.36Å; W93-L134 HydrophobicContact CH2-CD2 4.44Å; W93-L134 HydrophobicContact CH2-CG 3.61Å; W93-L134 HydrophobicContact CZ2-CD1 3.48Å; W93-L134 VanDerWaalsContact CZ2-CD1 3.48Å; W93-L134 HydrophobicContact CZ2-CG 4.23Å; W93-L134 HydrophobicContact CZ3-CB 4.28Å; W93-L134 HydrophobicContact CZ3-CD1 3.38Å; W93-L134 HydrophobicContact CZ3-CG 3.51Å; W93-L262 HydrophobicContact CH2-CD1 4.27Å; W93-L262 HydrophobicContact CH2-CD2 4.35Å; W93-L262 HydrophobicContact CZ2-CD1 4.41Å; W93-L262 HydrophobicContact CZ2-CD2 4.33Å |
| 94 | E | 90.4 | Very high | 83.4 | Confident | 82 Ų | 82 | 35.9 Ų | 35.9 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.6 | 174.6 | 178 | 172.8 | 180 | 0 | 0 | 109.1 | Y124 H125 K127 | E94-Y124 CarbonylContact O-C 3.4Å; E94-Y124 WeakPolarHBondContact O-CA 3.41Å; E94-H125 PolarHBondContact N-O 2.9Å; E94-H125 PolarHBondContact O-CD2 3.32Å; E94-H125 PolarHBondContact O-N 3.22Å; E94-H125 IonicContact OE2-CE1 2.86Å; E94-H125 IonicContact OE2-NE2 3.52Å; E94-K127 HydrophobicContact CB-CG 3.97Å |
| 95 | E | 88.5 | Confident | 81.5 | Confident | 52 Ų | 52 | 44 Ų | 44 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122 | 178.2 | -169.2 | 172.3 | 177 | 0 | 0 | 110.3 | R52 Y124 | R52-E95 WeakPolarHBondContact CD-OE1 3.45Å; R52-E95 WeakPolarHBondContact CD-OE2 3.37Å; R52-E95 IonicContact CZ-OE1 3.83Å; R52-E95 IonicContact CZ-OE2 3.95Å; R52-E95 IonicContact NE-OE1 3.25Å; R52-E95 IonicContact NE-OE2 2.77Å; R52-E95 VanDerWaalsContact NH1-CD 3.34Å; R52-E95 IonicContact NH1-OE1 2.82Å; R52-E95 PolarHBondContact NH1-OE1 3.24Å; R52-E95 IonicContact NH1-OE2 3.76Å; R52-E95 PolarHBondContact NH1-OE2 3.45Å; E95-Y124 HydrophobicContact CB-CD1 3.73Å; E95-Y124 HydrophobicContact CB-CE1 3.59Å; E95-Y124 HydrophobicContact CG-CD1 4.04Å; E95-Y124 HydrophobicContact CG-CE1 3.64Å |
| 96 | V | 88.4 | Confident | 79.5 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -33.9 | -178.6 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | L62 Y66 F123 H125 F133 | L62-V96 HydrophobicContact CD1-CG1 3.92Å; Y66-V96 HydrophobicContact CD2-CG1 4.12Å; Y66-V96 HydrophobicContact CE1-CG1 4.37Å; Y66-V96 HydrophobicContact CE2-CG1 3.37Å; V96-F123 PolarHBondContact N-O 3.38Å; V96-H125 HydrophobicContact CG2-CB 4.05Å; V96-H125 WeakPolarHBondContact CG2-CD2 3.4Å; V96-F133 HydrophobicContact CG2-CE1 3.94Å |
| 97 | G | 87.8 | Confident | 77.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | -171.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L50 F123 | L50-G97 CarbonylContact O-C 3.53Å; L50-G97 WeakPolarHBondContact O-CA 3.14Å; G97-F123 PolarHBondContact O-N 3.04Å |
| 98 | C | 87.6 | Confident | 74.9 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.7 | 175.7 | 61.2 | 0 | 0 | 0 | 0 | 112 | L49 L50 F120 C121 | L49-C98 CarbonylContact C-O 3.53Å; L49-C98 WeakPolarHBondContact CA-O 3.07Å; L50-C98 PolarHBondContact N-O 2.96Å; L50-C98 PolarHBondContact O-N 2.86Å; C98-F120 HydrophobicContact CB-CB 4.1Å; C98-F120 HydrophobicContact CB-CD1 4.04Å; C98-F120 HydrophobicContact CB-CG 4.29Å; C98-F120 VanDerWaalsContact SG-CD1 3.56Å; C98-C121 CarbonylContact C-O 3.53Å; C98-C121 WeakPolarHBondContact CA-O 3.49Å; C98-C121 WeakPolarHBondContact CB-O 3.17Å |
| 99 | A | 88.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V47 R48 L49 F120 C121 F123 | V47-A99 HydrophobicContact CG1-CB 4.48Å; R48-A99 CarbonylContact O-C 3.59Å; R48-A99 WeakPolarHBondContact O-CA 3.14Å; L49-A99 HydrophobicContact CD2-CB 3.83Å; A99-F120 VanDerWaalsContact O-CA 3.27Å; A99-F120 WeakPolarHBondContact O-CA 3.49Å; A99-C121 HydrophobicContact CB-CB 4.01Å; A99-C121 PolarHBondContact N-O 3.45Å; A99-C121 PolarHBondContact O-N 2.79Å; A99-C121 VanDerWaalsContact O-N 3.13Å; A99-F123 HydrophobicContact CB-CE2 3.82Å; A99-F123 HydrophobicContact CB-CZ 4.12Å |
| 100 | K | 84.4 | Confident | 70.6 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.5 | 168.8 | -178.8 | 173.1 | 178.6 | 161.8 | 0 | 108.8 | R48 L50 E118 F120 | R48-K100 PolarHBondContact N-O 2.99Å; R48-K100 PolarHBondContact O-N 2.92Å; L50-K100 HydrophobicContact CD1-CB 3.91Å; L50-K100 HydrophobicContact CD1-CD 4.09Å; L50-K100 HydrophobicContact CG-CB 4.41Å; K100-E118 WeakPolarHBondContact CD-OE2 3.24Å; K100-E118 VanDerWaalsContact CE-CD 3.45Å; K100-E118 WeakPolarHBondContact CE-OE1 3.33Å; K100-E118 WeakPolarHBondContact CE-OE2 3.27Å; K100-E118 IonicContact NZ-OE1 3.69Å; K100-E118 PolarHBondContact NZ-OE1 2.72Å; K100-E118 IonicContact NZ-OE2 3.04Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; K100-F120 HydrophobicContact CB-CD1 4.37Å; K100-F120 HydrophobicContact CB-CE1 4.17Å; K100-F120 HydrophobicContact CG-CE1 4.37Å |
| 101 | L | 83.4 | Confident | 69.1 | Low | 11 Ų | 11 | 72.1 Ų | 72.1 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | trans | -111.3 | 158.5 | 179.3 | -64.4 | 174.8 | 0 | 0 | 0 | 111 | V47 A119 V141 | V47-L101 HydrophobicContact CB-CD2 4.39Å; V47-L101 HydrophobicContact CG1-CD2 3.86Å; V47-L101 HydrophobicContact CG2-CD2 3.73Å; L101-A119 HydrophobicContact CB-CB 4.36Å; L101-A119 PolarHBondContact N-O 3.34Å; L101-A119 VanDerWaalsContact N-O 3.14Å; L101-V141 HydrophobicContact CD1-CB 4.16Å; L101-V141 HydrophobicContact CD1-CG1 4.1Å; L101-V141 HydrophobicContact CD1-CG2 3.45Å; L101-V141 VanDerWaalsContact CD1-CG2 3.45Å; L101-V141 HydrophobicContact CD2-CG1 4.15Å | ||
| 102 | W | 76.4 | Confident | 67.6 | Low | 101 Ų | 101 | 73.1 Ų | 73.1 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | trans | -110.1 | 101.7 | 175.6 | 178.7 | -86.1 | 0 | 0 | 0 | 108.1 | K44 R45 Q145 | K44-W102 HydrophobicContact CB-CD2 4.39Å; K44-W102 HydrophobicContact CB-CE3 4.41Å; K44-W102 WeakPolarHBondContact O-CB 3.28Å; R45-W102 HydrophobicContact CG-CB 4.42Å; R45-W102 HydrophobicContact CG-CG 4.14Å; W102-Q145 VanDerWaalsContact N-NE2 3.16Å; W102-Q145 VanDerWaalsContact N-OE1 3.15Å; W102-Q145 PolarHBondContact O-OE1 2.91Å | ||
| 103 | N | 68.6 | Low | 65.3 | Low | 14 Ų | 14 | 79.5 Ų | 79.5 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | trans | -127.1 | 116.2 | -176.4 | -58.5 | -21.9 | 0 | 0 | 0 | 109.2 | W105 C106 A119 Y140 Q145 | N103-W105 PolarHBondContact O-N 3.27Å; N103-C106 HydrophobicContact CB-CB 3.75Å; N103-C106 WeakPolarHBondContact CB-SG 3.49Å; N103-C106 PolarHBondContact ND2-SG 2.79Å; N103-C106 PolarHBondContact O-N 2.83Å; N103-A119 HydrophobicContact CB-CB 4.38Å; N103-A119 WeakPolarHBondContact ND2-CB 3.25Å; N103-Y140 PolarHBondContact ND2-O 2.93Å; N103-Y140 PolarHBondContact OD1-O 3.06Å; N103-Q145 PolarHBondContact OD1-OE1 2.66Å | ||
| 104 | E | 61.6 | Low | 62.7 | Low | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -63.6 | -37.2 | 170.6 | -69.9 | 170.5 | -165 | 0 | 0 | 110.5 | R45 C106 R107 | R45-E104 IonicContact NH2-OE1 2.84Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 3.02Å; E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.41Å; E104-R107 PolarHBondContact O-N 3.32Å |
| 105 | W | 52.3 | Low | 60 | Low | 206 Ų | 206 | 87.2 Ų | 87.2 | 78% | 0.78 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -65.4 | -22.8 | 176.4 | -88.8 | 51.1 | 0 | 0 | 0 | 114.8 | N103 R107 T108 | N103-W105 PolarHBondContact O-N 3.27Å; W105-R107 VanDerWaalsContact C-N 3.26Å; W105-T108 PolarHBondContact O-OG1 3.41Å; W105-T108 VanDerWaalsContact O-OG1 3.06Å |
| 106 | C | 49.1 | Very low | 57.6 | Low | 46 Ų | 46 | 87.2 Ų | 87.2 | 31% | 0.311 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -83 | -4.4 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | N103 E104 T108 A119 | N103-C106 HydrophobicContact CB-CB 3.75Å; N103-C106 WeakPolarHBondContact CB-SG 3.49Å; N103-C106 PolarHBondContact ND2-SG 2.79Å; N103-C106 PolarHBondContact O-N 2.83Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 3.02Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-A119 HydrophobicContact CB-CB 3.81Å; C106-A119 VanDerWaalsContact SG-CB 3.56Å |
| 107 | R | 45.9 | Very low | 55.2 | Low | 207 Ų | 207 | 94 Ų | 94 | 78% | 0.781 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -79.3 | -17.9 | 173.4 | -62.5 | 178.8 | 62.4 | -168.8 | -3 | 112.9 | E104 W105 | E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.41Å; E104-R107 PolarHBondContact O-N 3.32Å; W105-R107 VanDerWaalsContact C-N 3.26Å |
| 108 | T | 36.7 | Very low | 53.4 | Low | 111 Ų | 111 | 97.3 Ų | 97.3 | 68% | 0.681 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -106.2 | 0.6 | -172.6 | 39.3 | 0 | 0 | 0 | 0 | 114.5 | W105 C106 D110 | W105-T108 PolarHBondContact O-OG1 3.41Å; W105-T108 VanDerWaalsContact O-OG1 3.06Å; C106-T108 VanDerWaalsContact C-N 3.33Å; T108-D110 PolarHBondContact O-N 2.86Å |
| 109 | A | 40.4 | Very low | 52 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -85.8 | 112.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 110 | D | 35 | Very low | 51.3 | Low | 157 Ų | 157 | 99.5 Ų | 99.5 | 84% | 0.84 | 52% | 0.522 | S | S | * | . | trans | -49.8 | 136.6 | -177.1 | -71.9 | -49 | 0 | 0 | 0 | 113.4 | T108 | T108-D110 PolarHBondContact O-N 2.86Š| ||
| 111 | T | 41.4 | Very low | 51.5 | Low | 123 Ų | 123 | 96 Ų | 96 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | trans | -43.3 | 128.4 | 169.1 | 29.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 112 | T | 38.2 | Very low | 51.9 | Low | 77 Ų | 77 | 95.9 Ų | 95.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | 177.2 | 118 | 113.7 | 31.6 | 0 | 0 | 0 | 0 | 112.2 | Q283 | T112-Q283 PolarHBondContact O-NE2 3.36Š| |||
| 113 | H | 38.2 | Very low | 52.7 | Low | 170 Ų | 170 | 91.1 Ų | 91.1 | 79% | 0.787 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 67 | 62.1 | 163.4 | -70.5 | -88.5 | 0 | 0 | 0 | 120 | ||
| 114 | L | 35 | Very low | 53.8 | Low | 159 Ų | 159 | 92.1 Ų | 92.1 | 83% | 0.832 | 49% | 0.493 | S | S | * | . | S | Bend | -119.7 | 129.2 | 118 | -86.5 | 101.9 | 0 | 0 | 0 | 107 | S116 | L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.22Å | |
| 115 | S | 33.6 | Very low | 55.3 | Low | 109 Ų | 109 | 88 Ų | 88 | 76% | 0.762 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -64.3 | 91.7 | 179.3 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 116 | S | 36.8 | Very low | 57.2 | Low | 52 Ų | 52 | 78.9 Ų | 78.9 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | 156.4 | 124.4 | 143.1 | 175 | 0 | 0 | 0 | 0 | 108.8 | L114 E118 F120 | L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.22Å; S116-E118 PolarHBondContact O-N 2.82Å; S116-F120 WeakPolarHBondContact OG-CE2 3.18Å | ||
| 117 | T | 38.7 | Very low | 59.2 | Low | 152 Ų | 152 | 82.1 Ų | 82.1 | 93% | 0.933 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.5 | 34.9 | 179.2 | -38.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 118 | E | 50.7 | Low | 61.3 | Low | 73 Ų | 73 | 77 Ų | 77 | 34% | 0.341 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -136.3 | 133.5 | -169.3 | -76.4 | -179.3 | -174.6 | 0 | 0 | 109.2 | K100 S116 F120 | K100-E118 WeakPolarHBondContact CD-OE2 3.24Å; K100-E118 VanDerWaalsContact CE-CD 3.45Å; K100-E118 WeakPolarHBondContact CE-OE1 3.33Å; K100-E118 WeakPolarHBondContact CE-OE2 3.27Å; K100-E118 IonicContact NZ-OE1 3.69Å; K100-E118 PolarHBondContact NZ-OE1 2.72Å; K100-E118 IonicContact NZ-OE2 3.04Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; S116-E118 PolarHBondContact O-N 2.82Å; E118-F120 HydrophobicContact CB-CD1 4.37Å; E118-F120 HydrophobicContact CB-CD2 4.09Å; E118-F120 HydrophobicContact CB-CE1 3.64Å; E118-F120 HydrophobicContact CB-CE2 3.29Å; E118-F120 HydrophobicContact CB-CZ 3.07Å; E118-F120 HydrophobicContact CG-CZ 3.99Å; E118-F120 WeakPolarHBondContact O-CD2 3.33Å; E118-F120 WeakPolarHBondContact O-CE2 3.4Å; E118-F120 PolarHBondContact O-N 2.83Å; E118-F120 VanDerWaalsContact OE2-CE1 3.25Å; E118-F120 WeakPolarHBondContact OE2-CE1 3.19Å; E118-F120 WeakPolarHBondContact OE2-CZ 3.41Å |
| 119 | A | 57.4 | Low | 63.9 | Low | 11 Ų | 11 | 75 Ų | 75 | 9% | 0.091 | 43% | 0.43 | C | S | . | . | trans | -71.7 | 113.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L101 N103 C106 C139 | L101-A119 HydrophobicContact CB-CB 4.36Å; L101-A119 PolarHBondContact N-O 3.34Å; L101-A119 VanDerWaalsContact N-O 3.14Å; N103-A119 HydrophobicContact CB-CB 4.38Å; N103-A119 WeakPolarHBondContact ND2-CB 3.25Å; C106-A119 HydrophobicContact CB-CB 3.81Å; C106-A119 VanDerWaalsContact SG-CB 3.56Å; A119-C139 HydrophobicContact CB-CB 3.68Å | ||
| 120 | F | 73.1 | Confident | 66.2 | Low | 44 Ų | 44 | 74.1 Ų | 74.1 | 19% | 0.193 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.2 | -176.8 | -59.3 | -68.7 | 0 | 0 | 0 | 113.3 | C98 A99 K100 S116 E118 C139 | C98-F120 HydrophobicContact CB-CB 4.1Å; C98-F120 HydrophobicContact CB-CD1 4.04Å; C98-F120 HydrophobicContact CB-CG 4.29Å; C98-F120 VanDerWaalsContact SG-CD1 3.56Å; A99-F120 VanDerWaalsContact O-CA 3.27Å; A99-F120 WeakPolarHBondContact O-CA 3.49Å; K100-F120 HydrophobicContact CB-CD1 4.37Å; K100-F120 HydrophobicContact CB-CE1 4.17Å; K100-F120 HydrophobicContact CG-CE1 4.37Å; S116-F120 WeakPolarHBondContact OG-CE2 3.18Å; E118-F120 HydrophobicContact CB-CD1 4.37Å; E118-F120 HydrophobicContact CB-CD2 4.09Å; E118-F120 HydrophobicContact CB-CE1 3.64Å; E118-F120 HydrophobicContact CB-CE2 3.29Å; E118-F120 HydrophobicContact CB-CZ 3.07Å; E118-F120 HydrophobicContact CG-CZ 3.99Å; E118-F120 WeakPolarHBondContact O-CD2 3.33Å; E118-F120 WeakPolarHBondContact O-CE2 3.4Å; E118-F120 PolarHBondContact O-N 2.83Å; E118-F120 VanDerWaalsContact OE2-CE1 3.25Å; E118-F120 WeakPolarHBondContact OE2-CE1 3.19Å; E118-F120 WeakPolarHBondContact OE2-CZ 3.41Å; F120-C139 PolarHBondContact O-SG 3.22Å |
| 121 | C | 89.2 | Confident | 69 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.8 | 153.2 | -45.9 | 0 | 0 | 0 | 0 | 107.8 | C98 A99 F123 Q136 C137 W149 | C98-C121 CarbonylContact C-O 3.53Å; C98-C121 WeakPolarHBondContact CA-O 3.49Å; C98-C121 WeakPolarHBondContact CB-O 3.17Å; A99-C121 HydrophobicContact CB-CB 4.01Å; A99-C121 PolarHBondContact N-O 3.45Å; A99-C121 PolarHBondContact O-N 2.79Å; A99-C121 VanDerWaalsContact O-N 3.13Å; C121-F123 HydrophobicContact CB-CE2 4.43Å; C121-F123 HydrophobicContact CB-CZ 4.11Å; C121-Q136 CarbonylContact C-O 3.16Å; C121-Q136 WeakPolarHBondContact CA-O 3.42Å; C121-C137 HydrophobicContact CB-CB 4.36Å; C121-C137 PolarHBondContact SG-SG 3.5Å; C121-W149 HydrophobicContact CB-CZ2 4.45Å; C121-W149 PolarHBondContact SG-NE1 3.49Å |
| 122 | G | 90.6 | Very high | 71.5 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C135 Q136 | G122-C135 CarbonylContact O-C 3.52Å; G122-C135 VanDerWaalsContact O-CA 3.31Å; G122-C135 WeakPolarHBondContact O-CA 3.2Å; G122-Q136 PolarHBondContact N-O 2.96Å; G122-Q136 PolarHBondContact O-N 2.86Å |
| 123 | F | 93.6 | Very high | 74.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.1 | 178.3 | -57.5 | -75.2 | 0 | 0 | 0 | 111.4 | L49 L62 F71 V96 G97 A99 C121 L134 C135 W149 V153 | L49-F123 HydrophobicContact CD2-CD2 4.31Å; L49-F123 HydrophobicContact CD2-CE2 3.52Å; L49-F123 HydrophobicContact CD2-CZ 4.17Å; L62-F123 HydrophobicContact CD2-CB 3.8Å; L62-F123 HydrophobicContact CD2-CD1 3.45Å; L62-F123 VanDerWaalsContact CD2-CD1 3.45Å; L62-F123 HydrophobicContact CD2-CD2 3.97Å; L62-F123 HydrophobicContact CD2-CE1 3.97Å; L62-F123 HydrophobicContact CD2-CE2 4.43Å; L62-F123 HydrophobicContact CD2-CG 3.46Å; L62-F123 VanDerWaalsContact CD2-CG 3.46Å; L62-F123 HydrophobicContact CD2-CZ 4.44Å; F71-F123 HydrophobicContact CE2-CD1 4.41Å; F71-F123 HydrophobicContact CZ-CD1 4.18Å; F71-F123 HydrophobicContact CZ-CE1 4.12Å; V96-F123 PolarHBondContact N-O 3.38Å; G97-F123 PolarHBondContact O-N 3.04Å; A99-F123 HydrophobicContact CB-CE2 3.82Å; A99-F123 HydrophobicContact CB-CZ 4.12Å; C121-F123 HydrophobicContact CB-CE2 4.43Å; C121-F123 HydrophobicContact CB-CZ 4.11Å; F123-L134 WeakPolarHBondContact CA-O 3.5Å; F123-C135 HydrophobicContact CD1-CB 3.83Å; F123-C135 HydrophobicContact CE1-CB 3.87Å; F123-C135 VanDerWaalsContact CE1-SG 3.56Å; F123-W149 AromaticContact CE1-CZ2 3.9Å; F123-W149 HydrophobicContact CE1-CZ2 3.9Å; F123-W149 AromaticContact CZ-CZ2 3.87Å; F123-W149 HydrophobicContact CZ-CZ2 3.87Å; F123-V153 HydrophobicContact CE1-CG1 4.19Å; F123-V153 HydrophobicContact CE1-CG2 3.88Å; F123-V153 HydrophobicContact CE2-CG2 4.36Å; F123-V153 HydrophobicContact CZ-CG2 3.45Å; F123-V153 VanDerWaalsContact CZ-CG2 3.45Å |
| 124 | Y | 92.9 | Very high | 76.8 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151 | -177.4 | -53 | -94.4 | 0 | 0 | 0 | 110.4 | M88 E94 E95 F133 L134 Q136 | M88-Y124 HydrophobicContact CE-CD1 3.66Å; M88-Y124 HydrophobicContact CE-CD2 3.71Å; M88-Y124 HydrophobicContact CE-CE1 3.91Å; M88-Y124 HydrophobicContact CE-CE2 3.97Å; M88-Y124 HydrophobicContact CE-CG 3.57Å; M88-Y124 HydrophobicContact SD-CD2 4.39Å; E94-Y124 CarbonylContact O-C 3.4Å; E94-Y124 WeakPolarHBondContact O-CA 3.41Å; E95-Y124 HydrophobicContact CB-CD1 3.73Å; E95-Y124 HydrophobicContact CB-CE1 3.59Å; E95-Y124 HydrophobicContact CG-CD1 4.04Å; E95-Y124 HydrophobicContact CG-CE1 3.64Å; Y124-F133 CarbonylContact O-C 3.58Å; Y124-F133 VanDerWaalsContact O-CA 3.28Å; Y124-F133 WeakPolarHBondContact O-CA 3.27Å; Y124-F133 WeakPolarHBondContact O-CD1 3.43Å; Y124-L134 PolarHBondContact N-O 3.33Å; Y124-L134 PolarHBondContact O-N 3.03Å; Y124-Q136 HydrophobicContact CE2-CB 4.45Å; Y124-Q136 HydrophobicContact CE2-CG 4.29Å |
| 125 | H | 93.1 | Very high | 79.7 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.8 | 168.3 | 73.6 | 122.1 | 0 | 0 | 0 | 110.6 | W93 E94 V96 V132 F133 | W93-H125 WeakPolarHBondContact CA-O 3.25Å; W93-H125 VanDerWaalsContact CE3-C 3.5Å; E94-H125 PolarHBondContact N-O 2.9Å; E94-H125 PolarHBondContact O-CD2 3.32Å; E94-H125 PolarHBondContact O-N 3.22Å; E94-H125 IonicContact OE2-CE1 2.86Å; E94-H125 IonicContact OE2-NE2 3.52Å; V96-H125 HydrophobicContact CG2-CB 4.05Å; V96-H125 WeakPolarHBondContact CG2-CD2 3.4Å; H125-V132 WeakPolarHBondContact CA-O 3.3Å; H125-F133 HydrophobicContact CB-CD1 4.16Å; H125-F133 HydrophobicContact CB-CD2 4.33Å; H125-F133 HydrophobicContact CB-CE1 3.9Å; H125-F133 HydrophobicContact CB-CE2 4.08Å; H125-F133 HydrophobicContact CB-CG 4.36Å; H125-F133 HydrophobicContact CB-CZ 3.82Å |
| 126 | L | 92.4 | Very high | 82.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.5 | 178.5 | -177.3 | 63.9 | 0 | 0 | 0 | 110 | V92 W93 S128 N129 P130 V132 L262 | V92-L126 HydrophobicContact CB-CD1 3.89Å; V92-L126 HydrophobicContact CG2-CD1 3.38Å; W93-L126 HydrophobicContact CD2-CD1 4.2Å; W93-L126 HydrophobicContact CE3-CB 4.04Å; W93-L126 HydrophobicContact CE3-CD1 4.48Å; W93-L126 HydrophobicContact CH2-CB 3.98Å; W93-L126 HydrophobicContact CH2-CD1 4.37Å; W93-L126 HydrophobicContact CZ2-CD1 4.07Å; W93-L126 HydrophobicContact CZ3-CB 3.71Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 WeakPolarHBondContact CG-OG 3.25Å; L126-S128 PolarHBondContact O-N 2.92Å; L126-N129 HydrophobicContact CD2-CB 4.2Å; L126-N129 CarbonylContact O-C 3.5Å; L126-N129 PolarHBondContact O-N 2.85Å; L126-N129 VanDerWaalsContact O-N 3.14Å; L126-N129 VanDerWaalsContact O-O 3.13Å; L126-P130 WeakPolarHBondContact O-CA 3.09Å; L126-P130 VanDerWaalsContact O-N 3.15Å; L126-V132 HydrophobicContact CB-CB 4.22Å; L126-V132 PolarHBondContact N-O 2.85Å; L126-L262 HydrophobicContact CD2-CD2 3.84Å |
| 127 | K | 90.8 | Very high | 85.3 | Confident | 115 Ų | 115 | 36.3 Ų | 36.3 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -39.9 | -179.2 | -71.3 | 173.5 | -177.1 | 169.6 | 0 | 112.8 | G91 V92 E94 | G91-K127 PolarHBondContact O-NZ 2.86Å; V92-K127 VanDerWaalsContact O-CB 3.28Å; V92-K127 WeakPolarHBondContact O-CB 3.2Å; V92-K127 VanDerWaalsContact O-CG 3.24Å; V92-K127 WeakPolarHBondContact O-CG 3.36Å; V92-K127 PolarHBondContact O-N 2.78Å; E94-K127 HydrophobicContact CB-CG 3.97Å |
| 128 | S | 89.9 | Confident | 87.5 | Confident | 98 Ų | 98 | 32.4 Ų | 32.4 | 69% | 0.685 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22.4 | 179.9 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | L126 | L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 WeakPolarHBondContact CG-OG 3.25Å; L126-S128 PolarHBondContact O-N 2.92Å |
| 129 | N | 90.3 | Very high | 89.1 | Confident | 71 Ų | 71 | 29.7 Ų | 29.7 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 90.3 | 174.8 | -178.2 | -8.1 | 0 | 0 | 0 | 109.6 | L126 S131 V132 | L126-N129 HydrophobicContact CD2-CB 4.2Å; L126-N129 CarbonylContact O-C 3.5Å; L126-N129 PolarHBondContact O-N 2.85Å; L126-N129 VanDerWaalsContact O-N 3.14Å; L126-N129 VanDerWaalsContact O-O 3.13Å; N129-S131 PolarHBondContact O-N 2.83Å; N129-S131 WeakPolarHBondContact OD1-CB 3.31Å; N129-S131 PolarHBondContact OD1-N 3.22Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.47Å; N129-V132 HydrophobicContact CB-CG2 4.45Å; N129-V132 PolarHBondContact O-N 3.13Å; N129-V132 VanDerWaalsContact O-N 3.07Å |
| 130 | P | 90.3 | Very high | 90.5 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | -7.1 | -177.9 | -27.5 | 36.2 | 0 | 0 | 0 | 115.3 | L126 V132 F133 | L126-P130 WeakPolarHBondContact O-CA 3.09Å; L126-P130 VanDerWaalsContact O-N 3.15Å; P130-V132 VanDerWaalsContact C-N 3.31Å; P130-F133 WeakPolarHBondContact O-CE2 3.26Å |
| 131 | S | 91.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 32 Ų | 32 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -7.5 | 174.6 | 79 | 0 | 0 | 0 | 0 | 114.8 | P67 C68 S69 K70 N129 | P67-S131 WeakPolarHBondContact O-CA 3.2Å; C68-S131 CarbonylContact C-O 3.57Å; C68-S131 WeakPolarHBondContact CA-O 3.28Å; S69-S131 PolarHBondContact N-O 3.36Å; S69-S131 PolarHBondContact OG-O 2.82Å; S69-S131 PolarHBondContact OG-OG 3.05Å; K70-S131 PolarHBondContact N-O 2.96Å; N129-S131 PolarHBondContact O-N 2.83Å; N129-S131 WeakPolarHBondContact OD1-CB 3.31Å; N129-S131 PolarHBondContact OD1-N 3.22Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.47Å |
| 132 | V | 93.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.1 | 178.1 | -177 | 0 | 0 | 0 | 0 | 109.3 | K70 W93 H125 L126 N129 P130 L262 | K70-V132 HydrophobicContact CB-CG1 4.33Å; K70-V132 HydrophobicContact CB-CG2 4.41Å; K70-V132 WeakPolarHBondContact O-CA 3.36Å; W93-V132 HydrophobicContact CH2-CG1 3.96Å; W93-V132 HydrophobicContact CZ3-CG1 4.36Å; H125-V132 WeakPolarHBondContact CA-O 3.3Å; L126-V132 HydrophobicContact CB-CB 4.22Å; L126-V132 PolarHBondContact N-O 2.85Å; N129-V132 HydrophobicContact CB-CG2 4.45Å; N129-V132 PolarHBondContact O-N 3.13Å; N129-V132 VanDerWaalsContact O-N 3.07Å; P130-V132 VanDerWaalsContact C-N 3.31Å; V132-L262 HydrophobicContact CG1-CD1 4.06Å; V132-L262 HydrophobicContact CG1-CD2 4.17Å |
| 133 | F | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.8 | -179.1 | -83.1 | -102.4 | 0 | 0 | 0 | 112.1 | L63 Y66 C68 K70 F71 I72 V96 Y124 H125 P130 | L63-F133 HydrophobicContact CD2-CD1 4.48Å; L63-F133 HydrophobicContact CD2-CG 4.33Å; Y66-F133 HydrophobicContact CD1-CZ 4.25Å; Y66-F133 HydrophobicContact CD2-CE1 4.45Å; Y66-F133 HydrophobicContact CD2-CZ 4.13Å; Y66-F133 HydrophobicContact CG-CE1 4.41Å; Y66-F133 AromaticContact CG-CZ 3.67Å; Y66-F133 HydrophobicContact CG-CZ 3.67Å; C68-F133 HydrophobicContact CB-CD2 4.2Å; K70-F133 PolarHBondContact O-N 3.47Å; F71-F133 WeakPolarHBondContact CA-O 3.48Å; F71-F133 HydrophobicContact CD2-CB 3.42Å; F71-F133 VanDerWaalsContact CD2-CB 3.42Å; F71-F133 HydrophobicContact CE2-CB 3.94Å; F71-F133 HydrophobicContact CG-CB 4.32Å; I72-F133 PolarHBondContact N-O 3.49Å; V96-F133 HydrophobicContact CG2-CE1 3.94Å; Y124-F133 CarbonylContact O-C 3.58Å; Y124-F133 VanDerWaalsContact O-CA 3.28Å; Y124-F133 WeakPolarHBondContact O-CA 3.27Å; Y124-F133 WeakPolarHBondContact O-CD1 3.43Å; H125-F133 HydrophobicContact CB-CD1 4.16Å; H125-F133 HydrophobicContact CB-CD2 4.33Å; H125-F133 HydrophobicContact CB-CE1 3.9Å; H125-F133 HydrophobicContact CB-CE2 4.08Å; H125-F133 HydrophobicContact CB-CG 4.36Å; H125-F133 HydrophobicContact CB-CZ 3.82Å; P130-F133 WeakPolarHBondContact O-CE2 3.26Å |
| 134 | L | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.7 | 169.2 | -71.2 | 170.4 | 0 | 0 | 0 | 109.9 | I72 L83 V87 M88 W93 F123 Y124 | I72-L134 HydrophobicContact CB-CD2 3.52Å; I72-L134 HydrophobicContact CD1-CD2 4.06Å; I72-L134 HydrophobicContact CG1-CD2 4.38Å; I72-L134 HydrophobicContact CG2-CD2 3.72Å; I72-L134 CarbonylContact O-C 3.6Å; I72-L134 VanDerWaalsContact O-CA 3.27Å; I72-L134 WeakPolarHBondContact O-CA 3.45Å; L83-L134 HydrophobicContact CD1-CD2 3.95Å; V87-L134 HydrophobicContact CG1-CD1 4.1Å; M88-L134 HydrophobicContact CG-CD1 3.51Å; M88-L134 HydrophobicContact SD-CD1 3.79Å; W93-L134 HydrophobicContact CD2-CD1 3.65Å; W93-L134 HydrophobicContact CE3-CD1 3.53Å; W93-L134 HydrophobicContact CE3-CG 4.06Å; W93-L134 HydrophobicContact CH2-CD1 3.36Å; W93-L134 HydrophobicContact CH2-CD2 4.44Å; W93-L134 HydrophobicContact CH2-CG 3.61Å; W93-L134 HydrophobicContact CZ2-CD1 3.48Å; W93-L134 VanDerWaalsContact CZ2-CD1 3.48Å; W93-L134 HydrophobicContact CZ2-CG 4.23Å; W93-L134 HydrophobicContact CZ3-CB 4.28Å; W93-L134 HydrophobicContact CZ3-CD1 3.38Å; W93-L134 HydrophobicContact CZ3-CG 3.51Å; F123-L134 WeakPolarHBondContact CA-O 3.5Å; Y124-L134 PolarHBondContact N-O 3.33Å; Y124-L134 PolarHBondContact O-N 3.03Å |
| 135 | C | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.4 | 165.9 | 173.9 | 0 | 0 | 0 | 0 | 109.2 | F71 I72 I73 A74 G122 F123 | F71-C135 HydrophobicContact CE2-CB 3.66Å; F71-C135 HydrophobicContact CZ-CB 3.64Å; I72-C135 PolarHBondContact O-N 3.5Å; I73-C135 HydrophobicContact CB-CB 4.32Å; I73-C135 HydrophobicContact CG1-CB 4.17Å; I73-C135 HydrophobicContact CG2-CB 4Å; A74-C135 PolarHBondContact N-O 3.45Å; G122-C135 CarbonylContact O-C 3.52Å; G122-C135 VanDerWaalsContact O-CA 3.31Å; G122-C135 WeakPolarHBondContact O-CA 3.2Å; F123-C135 HydrophobicContact CD1-CB 3.83Å; F123-C135 HydrophobicContact CE1-CB 3.87Å; F123-C135 VanDerWaalsContact CE1-SG 3.56Å |
| 136 | Q | 93.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110.4 | 169.9 | -66.3 | -168.3 | -32.8 | 0 | 0 | 109 | V80 S84 M88 C121 G122 Y124 | V80-Q136 HydrophobicContact CG1-CB 4.11Å; V80-Q136 HydrophobicContact CG1-CG 4.24Å; V80-Q136 HydrophobicContact CG2-CB 4.13Å; S84-Q136 PolarHBondContact OG-NE2 2.9Å; M88-Q136 HydrophobicContact SD-CG 4.21Å; M88-Q136 PolarHBondContact SD-NE2 3.24Å; C121-Q136 CarbonylContact C-O 3.16Å; C121-Q136 WeakPolarHBondContact CA-O 3.42Å; G122-Q136 PolarHBondContact N-O 2.96Å; G122-Q136 PolarHBondContact O-N 2.86Å; Y124-Q136 HydrophobicContact CE2-CB 4.45Å; Y124-Q136 HydrophobicContact CE2-CG 4.29Å |
| 137 | C | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 90.8 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | A74 I75 G76 C121 C139 | A74-C137 PolarHBondContact O-N 2.78Å; I75-C137 WeakPolarHBondContact CA-O 3.35Å; I75-C137 HydrophobicContact CG1-CB 4.26Å; G76-C137 PolarHBondContact N-O 2.88Å; C121-C137 HydrophobicContact CB-CB 4.36Å; C121-C137 PolarHBondContact SG-SG 3.5Å; C137-C139 VanDerWaalsContact C-N 3.34Å; C137-C139 PolarHBondContact SG-O 3.34Å |
| 138 | S | 85.7 | Confident | 91 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | trans | -85.1 | -9.7 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 139 | C | 84.1 | Confident | 91.1 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -99.2 | 159.1 | 177.5 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | A119 F120 C137 | A119-C139 HydrophobicContact CB-CB 3.68Å; F120-C139 PolarHBondContact O-SG 3.22Å; C137-C139 VanDerWaalsContact C-N 3.34Å; C137-C139 PolarHBondContact SG-O 3.34Å |
| 140 | Y | 86.4 | Confident | 91.3 | Very high | 97 Ų | 97 | 37.1 Ų | 37.1 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | trans | -69.8 | 144.6 | 167.5 | 178 | -115.2 | 0 | 0 | 0 | 109.8 | N103 A142 | N103-Y140 PolarHBondContact ND2-O 2.93Å; N103-Y140 PolarHBondContact OD1-O 3.06Å; Y140-A142 HydrophobicContact CE1-CB 4.19Å | ||
| 141 | V | 90.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | trans | -116.2 | 110.5 | 172.5 | -172.7 | 0 | 0 | 0 | 0 | 107.2 | L101 Q145 Q146 W149 L215 | L101-V141 HydrophobicContact CD1-CB 4.16Å; L101-V141 HydrophobicContact CD1-CG1 4.1Å; L101-V141 HydrophobicContact CD1-CG2 3.45Å; L101-V141 VanDerWaalsContact CD1-CG2 3.45Å; L101-V141 HydrophobicContact CD2-CG1 4.15Å; V141-Q145 HydrophobicContact CG1-CB 4.2Å; V141-Q146 HydrophobicContact CB-CG 4.28Å; V141-Q146 HydrophobicContact CG1-CG 3.91Å; V141-Q146 PolarHBondContact O-NE2 3.04Å; V141-W149 HydrophobicContact CG1-CB 4.48Å; V141-L215 HydrophobicContact CB-CB 4.37Å; V141-L215 HydrophobicContact CB-CD2 4.35Å; V141-L215 HydrophobicContact CG2-CD2 3.7Å | ||
| 142 | A | 89.4 | Confident | 91.4 | Very high | 19 Ų | 19 | 40 Ų | 40 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | trans | -57.7 | 145.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y140 D144 Q145 Q146 | Y140-A142 HydrophobicContact CE1-CB 4.19Å; A142-D144 VanDerWaalsContact CB-OD1 3.29Å; A142-D144 WeakPolarHBondContact CB-OD1 3.43Å; A142-D144 PolarHBondContact O-N 3.44Å; A142-Q145 HydrophobicContact CB-CG 4.28Å; A142-Q145 WeakPolarHBondContact O-CA 3.31Å; A142-Q145 WeakPolarHBondContact O-CB 3.34Å; A142-Q145 PolarHBondContact O-N 2.85Å; A142-Q146 WeakPolarHBondContact O-CG 3.03Å; A142-Q146 PolarHBondContact O-N 2.59Å; A142-Q146 VanDerWaalsContact O-N 3.1Å | ||
| 143 | E | 89.9 | Confident | 91.3 | Very high | 141 Ų | 141 | 39.8 Ų | 39.8 | 66% | 0.659 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -54.4 | -39.9 | -173.6 | -63.6 | 179.2 | 177.8 | 0 | 0 | 112.8 | Q145 Q146 | E143-Q145 PolarHBondContact O-N 2.87Å; E143-Q146 PolarHBondContact O-N 2.97Å |
| 144 | D | 88 | Confident | 91.2 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.1 | -16.9 | 177.4 | 64.9 | -26.7 | 0 | 0 | 0 | 113.8 | R45 A142 | R45-D144 WeakPolarHBondContact CD-OD2 3.05Å; R45-D144 IonicContact CZ-OD2 3.32Å; R45-D144 IonicContact NE-OD2 3.97Å; R45-D144 IonicContact NH1-OD2 2.66Å; R45-D144 PolarHBondContact NH1-OD2 3.26Å; A142-D144 VanDerWaalsContact CB-OD1 3.29Å; A142-D144 WeakPolarHBondContact CB-OD1 3.43Å; A142-D144 PolarHBondContact O-N 3.44Å |
| 145 | Q | 90.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -97.3 | -18 | 176.7 | -61.2 | -162.5 | -60 | 0 | 0 | 113.6 | R45 V47 W102 N103 V141 A142 E143 Y147 Q148 W149 | R45-Q145 PolarHBondContact O-NE2 3.14Å; V47-Q145 HydrophobicContact CG2-CB 3.78Å; V47-Q145 HydrophobicContact CG2-CG 4.24Å; W102-Q145 VanDerWaalsContact N-NE2 3.16Å; W102-Q145 VanDerWaalsContact N-OE1 3.15Å; W102-Q145 PolarHBondContact O-OE1 2.91Å; N103-Q145 PolarHBondContact OD1-OE1 2.66Å; V141-Q145 HydrophobicContact CG1-CB 4.2Å; A142-Q145 HydrophobicContact CB-CG 4.28Å; A142-Q145 WeakPolarHBondContact O-CA 3.31Å; A142-Q145 WeakPolarHBondContact O-CB 3.34Å; A142-Q145 PolarHBondContact O-N 2.85Å; E143-Q145 PolarHBondContact O-N 2.87Å; Q145-Y147 PolarHBondContact O-N 2.87Å; Q145-Q148 PolarHBondContact O-N 3.12Å; Q145-W149 WeakPolarHBondContact O-CB 3.22Å; Q145-W149 PolarHBondContact O-N 3.3Å |
| 146 | Q | 93.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | -173.6 | -73.8 | 169.6 | 24 | 0 | 0 | 112.5 | V141 A142 E143 W149 L150 D214 L215 A218 | V141-Q146 HydrophobicContact CB-CG 4.28Å; V141-Q146 HydrophobicContact CG1-CG 3.91Å; V141-Q146 PolarHBondContact O-NE2 3.04Å; A142-Q146 WeakPolarHBondContact O-CG 3.03Å; A142-Q146 PolarHBondContact O-N 2.59Å; A142-Q146 VanDerWaalsContact O-N 3.1Å; E143-Q146 PolarHBondContact O-N 2.97Å; Q146-W149 PolarHBondContact O-N 3.08Å; Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.49Å; Q146-D214 VanDerWaalsContact OE1-C 3.3Å; Q146-L215 HydrophobicContact CG-CB 4.37Å; Q146-L215 HydrophobicContact CG-CD1 4.37Å; Q146-A218 HydrophobicContact CB-CB 4.2Å |
| 147 | Y | 92.1 | Very high | 89.3 | Confident | 149 Ų | 149 | 47.3 Ų | 47.3 | 58% | 0.584 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66 | -47.2 | 177.2 | -178.1 | -101.9 | 0 | 0 | 0 | 111.9 | Q145 W149 L150 E151 | Q145-Y147 PolarHBondContact O-N 2.87Å; Y147-W149 VanDerWaalsContact C-N 3.26Å; Y147-W149 PolarHBondContact O-N 3.23Å; Y147-L150 WeakPolarHBondContact O-CB 3.48Å; Y147-L150 PolarHBondContact O-N 3.26Å; Y147-E151 HydrophobicContact CD1-CG 4.19Å; Y147-E151 HydrophobicContact CE1-CG 3.72Å; Y147-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y147-E151 HydrophobicContact CE2-CG 4.44Å; Y147-E151 PolarHBondContact O-N 3.44Å; Y147-E151 PolarHBondContact OH-OE1 2.97Å |
| 148 | Q | 92.4 | Very high | 88.6 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.2 | -65.5 | -173.6 | 23.4 | 0 | 0 | 111.3 | V47 Q145 L150 E151 K152 | V47-Q148 HydrophobicContact CB-CB 4.05Å; V47-Q148 HydrophobicContact CG2-CB 3.85Å; Q145-Q148 PolarHBondContact O-N 3.12Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.23Å; Q148-E151 PolarHBondContact O-N 3.35Å; Q148-K152 WeakPolarHBondContact O-CB 3.49Å; Q148-K152 VanDerWaalsContact O-CG 3.26Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.35Å |
| 149 | W | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.8 | -173.3 | 96.8 | 0 | 0 | 0 | 111.5 | V47 I73 C121 F123 V141 Q145 Q146 Y147 K152 V153 F154 L215 V219 | V47-W149 HydrophobicContact CG1-CB 4.31Å; I73-W149 HydrophobicContact CD1-CH2 4.47Å; C121-W149 HydrophobicContact CB-CZ2 4.45Å; C121-W149 PolarHBondContact SG-NE1 3.49Å; F123-W149 AromaticContact CE1-CZ2 3.9Å; F123-W149 HydrophobicContact CE1-CZ2 3.9Å; F123-W149 AromaticContact CZ-CZ2 3.87Å; F123-W149 HydrophobicContact CZ-CZ2 3.87Å; V141-W149 HydrophobicContact CG1-CB 4.48Å; Q145-W149 WeakPolarHBondContact O-CB 3.22Å; Q145-W149 PolarHBondContact O-N 3.3Å; Q146-W149 PolarHBondContact O-N 3.08Å; Y147-W149 VanDerWaalsContact C-N 3.26Å; Y147-W149 PolarHBondContact O-N 3.23Å; W149-K152 PolarHBondContact O-N 2.86Å; W149-V153 HydrophobicContact CD2-CG2 3.79Å; W149-V153 HydrophobicContact CE3-CB 4.24Å; W149-V153 HydrophobicContact CE3-CG2 4Å; W149-V153 HydrophobicContact CG-CG2 4.43Å; W149-V153 HydrophobicContact CH2-CB 4.26Å; W149-V153 HydrophobicContact CH2-CG1 4.06Å; W149-V153 HydrophobicContact CH2-CG2 3.96Å; W149-V153 HydrophobicContact CZ2-CG2 3.75Å; W149-V153 HydrophobicContact CZ3-CB 4.11Å; W149-V153 HydrophobicContact CZ3-CG1 4.22Å; W149-V153 HydrophobicContact CZ3-CG2 4.08Å; W149-V153 WeakPolarHBondContact O-CB 3.5Å; W149-V153 VanDerWaalsContact O-CG2 3.27Å; W149-V153 WeakPolarHBondContact O-CG2 3.41Å; W149-V153 PolarHBondContact O-N 2.75Å; W149-F154 HydrophobicContact CZ3-CE2 4.05Å; W149-L215 HydrophobicContact CD2-CD1 4.08Å; W149-L215 HydrophobicContact CE3-CD1 3.69Å; W149-L215 HydrophobicContact CZ2-CD2 4.5Å; W149-L215 HydrophobicContact CZ3-CD1 4.08Å; W149-V219 HydrophobicContact CZ3-CG2 4.03Å |
| 150 | L | 94.2 | Very high | 87.7 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -46 | 176.6 | -70.8 | 168.4 | 0 | 0 | 0 | 111.8 | Q146 Y147 Q148 K152 V153 F154 A218 V219 Y222 | Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.49Å; Y147-L150 WeakPolarHBondContact O-CB 3.48Å; Y147-L150 PolarHBondContact O-N 3.26Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.23Å; L150-K152 PolarHBondContact O-N 3.33Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-F154 HydrophobicContact CD2-CD2 3.75Å; L150-F154 HydrophobicContact CD2-CE2 3.65Å; L150-F154 WeakPolarHBondContact O-CB 3.48Å; L150-F154 PolarHBondContact O-N 3.12Å; L150-A218 HydrophobicContact CD1-CB 3.9Å; L150-V219 HydrophobicContact CD2-CB 4.25Å; L150-V219 HydrophobicContact CD2-CG2 3.69Å; L150-Y222 HydrophobicContact CB-CD2 4.42Å; L150-Y222 HydrophobicContact CD1-CD2 4.43Å; L150-Y222 HydrophobicContact CD2-CG 4.49Å |
| 151 | E | 91.9 | Very high | 87.6 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.6 | -70.7 | -168.2 | 114.6 | 0 | 0 | 111.9 | Y147 Q148 V153 G155 | Y147-E151 HydrophobicContact CD1-CG 4.19Å; Y147-E151 HydrophobicContact CE1-CG 3.72Å; Y147-E151 WeakPolarHBondContact CE1-OE2 3.46Å; Y147-E151 HydrophobicContact CE2-CG 4.44Å; Y147-E151 PolarHBondContact O-N 3.44Å; Y147-E151 PolarHBondContact OH-OE1 2.97Å; Q148-E151 PolarHBondContact O-N 3.35Å; E151-V153 PolarHBondContact O-N 3.14Å; E151-G155 WeakPolarHBondContact O-CA 3.47Å; E151-G155 PolarHBondContact O-N 2.77Å |
| 152 | K | 92 | Very high | 87.7 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 178.8 | -64.1 | -60.3 | -177.5 | -175.3 | 0 | 111.9 | L49 S61 L62 Q148 W149 L150 | L49-K152 HydrophobicContact CD1-CB 3.99Å; L49-K152 WeakPolarHBondContact CD1-O 3.5Å; L49-K152 HydrophobicContact CG-CB 3.96Å; S61-K152 CarbonylContact C-O 3.58Å; S61-K152 WeakPolarHBondContact CA-O 3.39Å; S61-K152 WeakPolarHBondContact CB-O 3.45Å; L62-K152 PolarHBondContact N-O 2.81Å; Q148-K152 WeakPolarHBondContact O-CB 3.49Å; Q148-K152 VanDerWaalsContact O-CG 3.26Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.35Å; W149-K152 PolarHBondContact O-N 2.86Å; L150-K152 PolarHBondContact O-N 3.33Å |
| 153 | V | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.6 | -53.8 | -178 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | L49 L62 L63 F71 F123 W149 L150 E151 | L49-V153 HydrophobicContact CD2-CG2 4.42Å; L62-V153 PolarHBondContact N-O 2.99Å; L63-V153 WeakPolarHBondContact CB-O 3.28Å; L63-V153 HydrophobicContact CD1-CG1 4.24Å; L63-V153 HydrophobicContact CG-CG1 4.4Å; L63-V153 VanDerWaalsContact CG-O 3.23Å; L63-V153 WeakPolarHBondContact CG-O 3.35Å; L63-V153 PolarHBondContact N-O 3.14Å; F71-V153 HydrophobicContact CE1-CG1 3.67Å; F71-V153 HydrophobicContact CZ-CG1 3.88Å; F123-V153 HydrophobicContact CE1-CG1 4.19Å; F123-V153 HydrophobicContact CE1-CG2 3.88Å; F123-V153 HydrophobicContact CE2-CG2 4.36Å; F123-V153 HydrophobicContact CZ-CG2 3.45Å; F123-V153 VanDerWaalsContact CZ-CG2 3.45Å; W149-V153 HydrophobicContact CD2-CG2 3.79Å; W149-V153 HydrophobicContact CE3-CB 4.24Å; W149-V153 HydrophobicContact CE3-CG2 4Å; W149-V153 HydrophobicContact CG-CG2 4.43Å; W149-V153 HydrophobicContact CH2-CB 4.26Å; W149-V153 HydrophobicContact CH2-CG1 4.06Å; W149-V153 HydrophobicContact CH2-CG2 3.96Å; W149-V153 HydrophobicContact CZ2-CG2 3.75Å; W149-V153 HydrophobicContact CZ3-CB 4.11Å; W149-V153 HydrophobicContact CZ3-CG1 4.22Å; W149-V153 HydrophobicContact CZ3-CG2 4.08Å; W149-V153 WeakPolarHBondContact O-CB 3.5Å; W149-V153 VanDerWaalsContact O-CG2 3.27Å; W149-V153 WeakPolarHBondContact O-CG2 3.41Å; W149-V153 PolarHBondContact O-N 2.75Å; L150-V153 PolarHBondContact O-N 3.4Å; E151-V153 PolarHBondContact O-N 3.14Å |
| 154 | F | 91.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -86.3 | -25.9 | -174.5 | -70.5 | -90.8 | 0 | 0 | 0 | 114 | L63 F71 I73 W149 L150 M162 I164 V219 Y222 | L63-F154 HydrophobicContact CD1-CD1 3.76Å; L63-F154 HydrophobicContact CD1-CE1 3.97Å; L63-F154 HydrophobicContact CD1-CG 4.26Å; F71-F154 HydrophobicContact CD1-CE1 4.17Å; F71-F154 AromaticContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CD1-CZ 3.98Å; F71-F154 HydrophobicContact CE1-CE2 4.4Å; F71-F154 HydrophobicContact CE1-CZ 4.01Å; I73-F154 HydrophobicContact CD1-CZ 4.29Å; W149-F154 HydrophobicContact CZ3-CE2 4.05Å; L150-F154 HydrophobicContact CD2-CD2 3.75Å; L150-F154 HydrophobicContact CD2-CE2 3.65Å; L150-F154 WeakPolarHBondContact O-CB 3.48Å; L150-F154 PolarHBondContact O-N 3.12Å; F154-M162 HydrophobicContact CD1-CE 3.88Å; F154-M162 HydrophobicContact CE1-CE 3.93Å; F154-I164 HydrophobicContact CE1-CD1 3.81Å; F154-I164 HydrophobicContact CE1-CG1 4.3Å; F154-I164 HydrophobicContact CZ-CD1 4.36Å; F154-V219 HydrophobicContact CE2-CG1 4.25Å; F154-V219 HydrophobicContact CZ-CG1 3.96Å; F154-Y222 HydrophobicContact CB-CE1 3.68Å; F154-Y222 HydrophobicContact CB-CE2 4.5Å; F154-Y222 WeakPolarHBondContact CB-OH 3.47Å; F154-Y222 HydrophobicContact CD1-CD1 4.32Å; F154-Y222 AromaticContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD2-CE1 4.42Å; F154-Y222 HydrophobicContact CG-CD1 4.24Å; F154-Y222 AromaticContact CG-CE1 3.74Å; F154-Y222 HydrophobicContact CG-CE1 3.74Å |
| 155 | G | 87.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | 85 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S61 E64 E151 Y222 | S61-G155 WeakPolarHBondContact OG-CA 3.43Å; E64-G155 WeakPolarHBondContact OE1-CA 3.39Å; E151-G155 WeakPolarHBondContact O-CA 3.47Å; E151-G155 PolarHBondContact O-N 2.77Å; G155-Y222 PolarHBondContact O-OH 2.86Å | ||
| 156 | S | 79.4 | Confident | 89.2 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -80.2 | -23 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | E64 | E64-S156 PolarHBondContact OE1-N 2.92Š|
| 157 | C | 77.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -132.4 | 92.4 | 176 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | E64 | E64-C157 PolarHBondContact OE1-N 3.49Š|
| 158 | P | 76.8 | Confident | 89.6 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | trans | -68.5 | 143.5 | -176.1 | 27.8 | -33.4 | 0 | 0 | 0 | 111.6 | Y222 W226 I228 | P158-Y222 HydrophobicContact CB-CE1 3.96Å; P158-Y222 WeakPolarHBondContact CB-OH 3.38Å; P158-Y222 WeakPolarHBondContact CD-OH 3.37Å; P158-Y222 HydrophobicContact CG-CE1 3.89Å; P158-Y222 VanDerWaalsContact CG-OH 3.3Å; P158-Y222 WeakPolarHBondContact CG-OH 3.49Å; P158-W226 HydrophobicContact CG-CB 3.68Å; P158-W226 HydrophobicContact CG-CD2 3.47Å; P158-W226 VanDerWaalsContact CG-CD2 3.47Å; P158-W226 HydrophobicContact CG-CE3 3.69Å; P158-W226 HydrophobicContact CG-CG 3.46Å; P158-W226 VanDerWaalsContact CG-CG 3.46Å; P158-W226 HydrophobicContact CG-CZ3 4.45Å; P158-I228 HydrophobicContact CB-CD1 3.65Å; P158-I228 HydrophobicContact CG-CD1 3.96Å | ||
| 159 | R | 77.9 | Confident | 89.8 | Confident | 113 Ų | 113 | 40.9 Ų | 40.9 | 43% | 0.426 | 21% | 0.209 | S | C | . | . | trans | -69 | 135.5 | 178.9 | -60.1 | -174.9 | -174 | -151.1 | 1.7 | 110.6 | L63 E64 N161 | L63-R159 PolarHBondContact O-NE 2.76Å; E64-R159 PolarHBondContact O-NH2 3.37Å; R159-N161 VanDerWaalsContact C-N 3.33Å; R159-N161 PolarHBondContact O-N 2.79Å | ||
| 160 | K | 73.1 | Confident | 89.9 | Confident | 186 Ų | 186 | 42.9 Ų | 42.9 | 81% | 0.809 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -72.9 | -19.9 | -176.4 | -64.1 | -178.6 | 179.8 | 175.7 | 0 | 114.6 | M162 | K160-M162 PolarHBondContact O-N 3.3Š|
| 161 | N | 84.8 | Confident | 89.8 | Confident | 149 Ų | 149 | 45 Ų | 45 | 80% | 0.797 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -101.1 | 42.7 | -174.8 | -65.2 | -7.8 | 0 | 0 | 0 | 112.4 | R159 | R159-N161 VanDerWaalsContact C-N 3.33Å; R159-N161 PolarHBondContact O-N 2.79Å |
| 162 | M | 92.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | trans | -122.7 | 142.4 | -178.8 | -177.2 | 171.1 | 53.4 | 0 | 0 | 110.7 | L63 C68 S69 F71 F154 K160 I164 I228 P229 | L63-M162 HydrophobicContact CD1-CE 4.1Å; L63-M162 HydrophobicContact CD1-SD 3.89Å; C68-M162 HydrophobicContact CB-SD 3.97Å; S69-M162 CarbonylContact O-C 3.56Å; S69-M162 WeakPolarHBondContact O-CA 3.49Å; F71-M162 HydrophobicContact CB-SD 4.2Å; F154-M162 HydrophobicContact CD1-CE 3.88Å; F154-M162 HydrophobicContact CE1-CE 3.93Å; K160-M162 PolarHBondContact O-N 3.3Å; M162-I164 HydrophobicContact CE-CD1 3.77Å; M162-I164 HydrophobicContact CG-CD1 3.71Å; M162-I164 HydrophobicContact SD-CD1 3.67Å; M162-I228 HydrophobicContact CE-CD1 4.41Å; M162-I228 WeakPolarHBondContact O-CG2 3.26Å; M162-P229 WeakPolarHBondContact O-CD 3.14Å | ||
| 163 | Q | 95 | Very high | 89.9 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.3 | 171.7 | -173.4 | 177 | 23.5 | 0 | 0 | 109.9 | S69 K70 F71 F197 D199 P229 | S69-Q163 PolarHBondContact O-N 2.79Å; K70-Q163 WeakPolarHBondContact CA-O 3.32Å; F71-Q163 PolarHBondContact N-O 3.38Å; Q163-F197 HydrophobicContact CG-CD2 4.37Å; Q163-F197 HydrophobicContact CG-CE2 3.96Å; Q163-D199 PolarHBondContact NE2-OD2 3.23Å; Q163-P229 CarbonylContact C-O 3.6Å; Q163-P229 WeakPolarHBondContact CA-O 3.4Å |
| 164 | I | 97.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.4 | -178.7 | -49.6 | -59.5 | 0 | 0 | 0 | 110.3 | F71 I73 F154 M162 I166 V219 I228 P229 A230 I231 | F71-I164 HydrophobicContact CB-CD1 3.63Å; F71-I164 HydrophobicContact CD1-CD1 4.04Å; F71-I164 HydrophobicContact CG-CD1 4.34Å; F71-I164 WeakPolarHBondContact O-CA 3.25Å; I73-I164 HydrophobicContact CD1-CG2 4.17Å; F154-I164 HydrophobicContact CE1-CD1 3.81Å; F154-I164 HydrophobicContact CE1-CG1 4.3Å; F154-I164 HydrophobicContact CZ-CD1 4.36Å; M162-I164 HydrophobicContact CE-CD1 3.77Å; M162-I164 HydrophobicContact CG-CD1 3.71Å; M162-I164 HydrophobicContact SD-CD1 3.67Å; I164-I166 HydrophobicContact CG2-CD1 4.45Å; I164-I166 HydrophobicContact CG2-CG1 3.92Å; I164-V219 HydrophobicContact CG2-CG1 4.21Å; I164-I228 HydrophobicContact CG1-CG2 3.8Å; I164-P229 PolarHBondContact N-O 2.92Å; I164-A230 HydrophobicContact CB-CB 3.75Å; I164-A230 HydrophobicContact CG1-CB 4.44Å; I164-A230 HydrophobicContact CG2-CB 4.43Å; I164-A230 WeakPolarHBondContact O-CA 3.44Å; I164-I231 PolarHBondContact O-N 2.85Å |
| 165 | T | 98.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.8 | 171.3 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | F71 I72 I73 L167 I231 Y233 S258 L259 | F71-T165 PolarHBondContact O-N 3.28Å; I72-T165 CarbonylContact C-O 3.56Å; I72-T165 VanDerWaalsContact CA-O 3.28Å; I72-T165 WeakPolarHBondContact CA-O 3.46Å; I73-T165 PolarHBondContact N-O 3.47Å; T165-L167 HydrophobicContact CG2-CD2 4.13Å; T165-I231 CarbonylContact C-O 2.98Å; T165-I231 WeakPolarHBondContact CA-O 3.5Å; T165-I231 HydrophobicContact CG2-CG2 4.26Å; T165-Y233 HydrophobicContact CG2-CD2 4.07Å; T165-Y233 HydrophobicContact CG2-CE2 4.01Å; T165-S258 WeakPolarHBondContact OG1-CB 3.43Å; T165-S258 PolarHBondContact OG1-OG 3.2Å; T165-L259 HydrophobicContact CG2-CD1 4.38Å |
| 166 | I | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.3 | -176.6 | -48.1 | 160.8 | 0 | 0 | 0 | 108 | I73 I75 I164 P216 V219 L220 I231 L232 Y233 | I73-I166 CarbonylContact O-C 3.48Å; I73-I166 WeakPolarHBondContact O-CA 3.43Å; I75-I166 HydrophobicContact CD1-CG2 3.93Å; I164-I166 HydrophobicContact CG2-CD1 4.45Å; I164-I166 HydrophobicContact CG2-CG1 3.92Å; I166-P216 HydrophobicContact CG2-CB 4.18Å; I166-V219 HydrophobicContact CD1-CB 3.88Å; I166-V219 HydrophobicContact CD1-CG1 3.56Å; I166-V219 HydrophobicContact CG1-CG1 4.06Å; I166-L220 HydrophobicContact CD1-CB 4.19Å; I166-L220 HydrophobicContact CD1-CD1 4.36Å; I166-I231 PolarHBondContact N-O 2.87Å; I166-L232 HydrophobicContact CB-CB 4.29Å; I166-L232 HydrophobicContact CB-CD1 3.65Å; I166-L232 HydrophobicContact CD1-CB 4.41Å; I166-L232 HydrophobicContact CG2-CD1 3.54Å; I166-L232 CarbonylContact O-C 3.52Å; I166-L232 WeakPolarHBondContact O-CA 3.47Å; I166-Y233 PolarHBondContact O-N 3.4Å |
| 167 | L | 98.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.3 | 177.4 | -51.6 | -176.7 | 0 | 0 | 0 | 108.6 | I73 A74 I75 A79 F82 L83 T165 Y233 F250 I253 | I73-L167 PolarHBondContact O-N 2.95Å; A74-L167 WeakPolarHBondContact CA-O 2.85Å; I75-L167 PolarHBondContact N-O 3.3Å; A79-L167 HydrophobicContact CB-CB 3.97Å; A79-L167 WeakPolarHBondContact CB-O 3.12Å; F82-L167 HydrophobicContact CD1-CD1 3.86Å; F82-L167 HydrophobicContact CE1-CD1 4.03Å; L83-L167 HydrophobicContact CD1-CD1 4.36Å; L83-L167 HydrophobicContact CD2-CD1 3.73Å; L83-L167 HydrophobicContact CG-CD1 3.97Å; T165-L167 HydrophobicContact CG2-CD2 4.13Å; L167-Y233 HydrophobicContact CD2-CD2 3.71Å; L167-Y233 HydrophobicContact CD2-CG 4.2Å; L167-F250 HydrophobicContact CB-CE1 4.29Å; L167-I253 HydrophobicContact CD2-CD1 3.6Å; L167-I253 HydrophobicContact CD2-CG2 4.22Å |
| 168 | T | 97.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 166.8 | 175.8 | -160.9 | 0 | 0 | 0 | 0 | 112.2 | I75 P216 L232 Y233 L234 C235 F250 | I75-T168 WeakPolarHBondContact O-CA 3.03Å; I75-T168 WeakPolarHBondContact O-CB 3.43Å; I75-T168 PolarHBondContact O-OG1 3.1Å; T168-P216 HydrophobicContact CG2-CB 4.1Å; T168-P216 HydrophobicContact CG2-CG 3.81Å; T168-L232 HydrophobicContact CG2-CD1 3.93Å; T168-Y233 PolarHBondContact N-O 3.35Å; T168-L234 HydrophobicContact CG2-CD2 3.39Å; T168-L234 HydrophobicContact CG2-CG 4.3Å; T168-C235 PolarHBondContact O-N 2.66Å; T168-F250 WeakPolarHBondContact O-CZ 3.19Å |
| 169 | C | 95.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.7 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | N78 C235 F250 | N78-C169 WeakPolarHBondContact CB-SG 3.32Å; C169-C235 CarbonylContact C-O 3.43Å; C169-C235 WeakPolarHBondContact CA-O 3.37Å; C169-F250 VanDerWaalsContact SG-CE2 3.53Å; C169-F250 VanDerWaalsContact SG-CZ 3.52Å |
| 170 | R | 94.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 57 Ų | 57 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158 | 169.9 | -73.2 | -62.1 | 179 | -179.7 | -2.8 | 110.8 | D174 H213 D214 L234 C235 Y236 T237 | R170-D174 HydrophobicContact CB-CB 4.42Å; R170-H213 PolarHBondContact NH2-O 2.96Å; R170-D214 IonicContact CZ-OD2 3.77Å; R170-D214 VanDerWaalsContact CZ-OD2 3.22Å; R170-D214 IonicContact NH1-OD2 3.6Å; R170-D214 PolarHBondContact NH1-OD2 3.28Å; R170-D214 IonicContact NH2-OD2 2.77Å; R170-D214 PolarHBondContact NH2-OD2 2.92Å; R170-L234 HydrophobicContact CG-CD2 4.02Å; R170-C235 PolarHBondContact N-O 3.03Å; R170-Y236 HydrophobicContact CB-CD1 3.87Å; R170-Y236 HydrophobicContact CB-CE1 3.75Å; R170-Y236 WeakPolarHBondContact O-CA 3.23Å; R170-T237 PolarHBondContact O-N 2.86Å |
| 171 | H | 93.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 25% | 0.25 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 145 | 177.7 | -168.3 | -105.4 | 0 | 0 | 0 | 108.5 | T173 D174 Y236 T237 D238 M240 | H171-T173 VanDerWaalsContact CE1-CG2 3.47Å; H171-T173 WeakPolarHBondContact CE1-CG2 3.41Å; H171-T173 WeakPolarHBondContact ND1-CB 3.25Å; H171-T173 VanDerWaalsContact ND1-CG2 3.31Å; H171-T173 WeakPolarHBondContact ND1-CG2 3.4Å; H171-T173 PolarHBondContact ND1-N 2.83Å; H171-T173 PolarHBondContact ND1-OG1 3.39Å; H171-T173 PolarHBondContact O-N 3.14Å; H171-T173 VanDerWaalsContact O-N 3.1Å; H171-D174 VanDerWaalsContact O-CB 3.31Å; H171-D174 WeakPolarHBondContact O-CB 3.45Å; H171-D174 PolarHBondContact O-N 3.2Å; H171-Y236 WeakPolarHBondContact O-CD1 3.46Å; H171-T237 CarbonylContact C-O 3.43Å; H171-T237 WeakPolarHBondContact CA-O 3.21Å; H171-T237 PolarHBondContact CD2-O 3.13Å; H171-D238 PolarHBondContact NE2-O 2.98Å; H171-M240 HydrophobicContact CB-CE 3.86Å; H171-M240 HydrophobicContact CB-CG 4.03Å; H171-M240 HydrophobicContact CB-SD 3.98Å; H171-M240 PolarHBondContact N-SD 2.86Å |
| 172 | V | 93.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.5 | -27.7 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | D174 Y175 F188 T237 D238 | V172-D174 PolarHBondContact O-N 2.85Å; V172-Y175 VanDerWaalsContact O-CB 3.26Å; V172-Y175 WeakPolarHBondContact O-CB 3.3Å; V172-Y175 PolarHBondContact O-N 3.04Å; V172-Y175 VanDerWaalsContact O-N 3.09Å; V172-F188 HydrophobicContact CG2-CE1 3.99Å; V172-T237 PolarHBondContact N-O 3.27Å; V172-D238 HydrophobicContact CG1-CB 4.27Å |
| 173 | T | 91.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -66.9 | -20.1 | 175.1 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | H171 Y175 | H171-T173 VanDerWaalsContact CE1-CG2 3.47Å; H171-T173 WeakPolarHBondContact CE1-CG2 3.41Å; H171-T173 WeakPolarHBondContact ND1-CB 3.25Å; H171-T173 VanDerWaalsContact ND1-CG2 3.31Å; H171-T173 WeakPolarHBondContact ND1-CG2 3.4Å; H171-T173 PolarHBondContact ND1-N 2.83Å; H171-T173 PolarHBondContact ND1-OG1 3.39Å; H171-T173 PolarHBondContact O-N 3.14Å; H171-T173 VanDerWaalsContact O-N 3.1Å; T173-Y175 VanDerWaalsContact C-N 3.28Å |
| 174 | D | 91.8 | Very high | 89.2 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -81.1 | -15.4 | 176.5 | -58.2 | -19.4 | 0 | 0 | 0 | 111.1 | R170 H171 V172 K176 Y236 | R170-D174 HydrophobicContact CB-CB 4.42Å; H171-D174 VanDerWaalsContact O-CB 3.31Å; H171-D174 WeakPolarHBondContact O-CB 3.45Å; H171-D174 PolarHBondContact O-N 3.2Å; V172-D174 PolarHBondContact O-N 2.85Å; D174-K176 PolarHBondContact O-N 2.86Å; D174-Y236 HydrophobicContact CB-CE1 4.44Å |
| 175 | Y | 92.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | trans | -68.9 | 116.9 | 176.6 | -174.8 | -124.6 | 0 | 0 | 0 | 110.1 | V172 T173 T177 L184 F188 K190 L206 E207 Y236 | V172-Y175 VanDerWaalsContact O-CB 3.26Å; V172-Y175 WeakPolarHBondContact O-CB 3.3Å; V172-Y175 PolarHBondContact O-N 3.04Å; V172-Y175 VanDerWaalsContact O-N 3.09Å; T173-Y175 VanDerWaalsContact C-N 3.28Å; Y175-T177 HydrophobicContact CD1-CG2 3.64Å; Y175-T177 VanDerWaalsContact CE1-CB 3.46Å; Y175-T177 HydrophobicContact CE1-CG2 3.54Å; Y175-L184 HydrophobicContact CD1-CD1 3.48Å; Y175-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y175-L184 HydrophobicContact CE1-CD1 3.62Å; Y175-F188 HydrophobicContact CD1-CE2 4.2Å; Y175-F188 AromaticContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD2-CE2 4.42Å; Y175-F188 HydrophobicContact CD2-CZ 4.5Å; Y175-F188 HydrophobicContact CE1-CE2 4.2Å; Y175-F188 HydrophobicContact CE1-CZ 4.12Å; Y175-F188 HydrophobicContact CE2-CE2 4.43Å; Y175-F188 HydrophobicContact CG-CE2 4.32Å; Y175-F188 AromaticContact CG-CZ 3.96Å; Y175-F188 HydrophobicContact CG-CZ 3.96Å; Y175-K190 HydrophobicContact CE2-CG 4.18Å; Y175-K190 WeakPolarHBondContact OH-CE 3.27Å; Y175-K190 PolarHBondContact OH-NZ 2.84Å; Y175-L206 HydrophobicContact CD2-CD1 4.11Å; Y175-L206 HydrophobicContact CE2-CD1 3.79Å; Y175-E207 PolarHBondContact OH-OE1 3Å; Y175-Y236 AromaticContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CE1 4.19Å; Y175-Y236 AromaticContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CG 4.48Å; Y175-Y236 AromaticContact CD2-CZ 3.65Å; Y175-Y236 HydrophobicContact CE2-CE2 4.23Å; Y175-Y236 HydrophobicContact CG-CD1 4.5Å; Y175-Y236 HydrophobicContact CG-CD2 4.4Å; Y175-Y236 HydrophobicContact CG-CE1 4.39Å; Y175-Y236 HydrophobicContact CG-CE2 4.3Å; Y175-Y236 HydrophobicContact CG-CG 4.48Å | ||
| 176 | K | 90.7 | Very high | 88.5 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | trans | -93.3 | 112.8 | 177.1 | -56 | -52.3 | 178.7 | -167.2 | 0 | 109 | D174 P209 | D174-K176 PolarHBondContact O-N 2.86Å; K176-P209 HydrophobicContact CB-CG 3.83Å; K176-P209 HydrophobicContact CG-CG 4.43Å | ||
| 177 | T | 87.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | trans | -142.5 | 158.4 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 110 | Y175 E179 T181 L184 E207 | Y175-T177 HydrophobicContact CD1-CG2 3.64Å; Y175-T177 VanDerWaalsContact CE1-CB 3.46Å; Y175-T177 HydrophobicContact CE1-CG2 3.54Å; T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 HydrophobicContact CG2-CB 4.49Å; T177-E179 VanDerWaalsContact CG2-O 3.25Å; T177-E179 WeakPolarHBondContact CG2-O 3.44Å; T177-E179 PolarHBondContact OG1-N 2.66Å; T177-T181 HydrophobicContact CG2-CG2 3.89Å; T177-L184 HydrophobicContact CG2-CD1 4.27Å; T177-E207 WeakPolarHBondContact CB-OE1 3.28Å; T177-E207 PolarHBondContact OG1-OE1 2.9Å | ||
| 178 | L | 83.8 | Confident | 88.2 | Confident | 176 Ų | 176 | 61.5 Ų | 61.5 | 92% | 0.921 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -75.9 | -21.8 | 172.8 | -64.3 | 174.2 | 0 | 0 | 0 | 111.7 | ||
| 179 | E | 80.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 62.1 Ų | 62.1 | 62% | 0.621 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -82.3 | 160.1 | 178.2 | -63 | -176.9 | 175.6 | 0 | 0 | 111.5 | T177 T181 | T177-E179 VanDerWaalsContact C-N 3.28Å; T177-E179 HydrophobicContact CG2-CB 4.49Å; T177-E179 VanDerWaalsContact CG2-O 3.25Å; T177-E179 WeakPolarHBondContact CG2-O 3.44Å; T177-E179 PolarHBondContact OG1-N 2.66Å; E179-T181 PolarHBondContact O-N 2.94Å |
| 180 | S | 78.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 63 Ų | 63 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | trans | -67.9 | 123.5 | 174 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | G182 S183 | S180-G182 PolarHBondContact O-N 2.86Å; S180-G182 PolarHBondContact OG-N 3.38Å; S180-S183 PolarHBondContact O-N 2.88Å; S180-S183 PolarHBondContact O-OG 3.37Å | ||
| 181 | T | 77.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 61 Ų | 61 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.5 | 177.4 | 55 | 0 | 0 | 0 | 0 | 112.9 | T177 E179 S183 L184 | T177-T181 HydrophobicContact CG2-CG2 3.89Å; E179-T181 PolarHBondContact O-N 2.94Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.49Å; T181-L184 HydrophobicContact CG2-CD1 4.42Å; T181-L184 PolarHBondContact O-N 3.31Å |
| 182 | G | 72.3 | Confident | 88.6 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 76% | 0.763 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -70.5 | -16.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S180 | S180-G182 PolarHBondContact O-N 2.86Å; S180-G182 PolarHBondContact OG-N 3.38Å |
| 183 | S | 77.6 | Confident | 88.8 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -102.2 | -0.7 | 176.9 | 52 | 0 | 0 | 0 | 0 | 113.7 | S180 T181 | S180-S183 PolarHBondContact O-N 2.88Å; S180-S183 PolarHBondContact O-OG 3.37Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.49Å |
| 184 | L | 83.8 | Confident | 89 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -76.8 | 135.5 | -177.9 | -68 | 174.3 | 0 | 0 | 0 | 110.8 | Y175 T177 T181 S186 F188 | Y175-L184 HydrophobicContact CD1-CD1 3.48Å; Y175-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y175-L184 HydrophobicContact CE1-CD1 3.62Å; T177-L184 HydrophobicContact CG2-CD1 4.27Å; T181-L184 HydrophobicContact CG2-CD1 4.42Å; T181-L184 PolarHBondContact O-N 3.31Å; L184-S186 PolarHBondContact O-N 2.83Å; L184-F188 HydrophobicContact CB-CE1 4.19Å; L184-F188 HydrophobicContact CD1-CE1 4.34Å; L184-F188 HydrophobicContact CD1-CZ 4.02Å |
| 185 | P | 88.6 | Confident | 89.2 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 117.8 | 174.7 | 28.1 | -32.9 | 0 | 0 | 0 | 109.6 | F188 | P185-F188 WeakPolarHBondContact O-CD1 3.43Š|
| 186 | S | 91.4 | Very high | 89.3 | Confident | 43 Ų | 43 | 65 Ų | 65 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -102.1 | 138.2 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L184 T237 D238 | L184-S186 PolarHBondContact O-N 2.83Å; S186-T237 WeakPolarHBondContact OG-CA 3.3Å; S186-D238 PolarHBondContact OG-N 3.49Å; S186-D238 PolarHBondContact OG-OD1 3.28Å |
| 187 | P | 95.7 | Very high | 89.6 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | S | Bend | cis | -83.4 | 156.5 | -5.3 | 33.5 | -36.1 | 0 | 0 | 0 | 113.4 | Y236 I245 A249 | P187-Y236 CarbonylContact C-O 3.51Å; P187-Y236 WeakPolarHBondContact CA-O 3.34Å; P187-Y236 WeakPolarHBondContact CB-O 3.28Å; P187-I245 HydrophobicContact CG-CG2 3.83Å; P187-A249 HydrophobicContact CB-CB 4.12Å; P187-A249 HydrophobicContact CG-CB 3.85Å |
| 188 | F | 95.5 | Very high | 89.9 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 13% | 0.132 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.2 | 176.8 | 64 | -82.6 | 0 | 0 | 0 | 113.5 | V172 Y175 L184 P185 K190 C235 Y236 | V172-F188 HydrophobicContact CG2-CE1 3.99Å; Y175-F188 HydrophobicContact CD1-CE2 4.2Å; Y175-F188 AromaticContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD1-CZ 3.75Å; Y175-F188 HydrophobicContact CD2-CE2 4.42Å; Y175-F188 HydrophobicContact CD2-CZ 4.5Å; Y175-F188 HydrophobicContact CE1-CE2 4.2Å; Y175-F188 HydrophobicContact CE1-CZ 4.12Å; Y175-F188 HydrophobicContact CE2-CE2 4.43Å; Y175-F188 HydrophobicContact CG-CE2 4.32Å; Y175-F188 AromaticContact CG-CZ 3.96Å; Y175-F188 HydrophobicContact CG-CZ 3.96Å; L184-F188 HydrophobicContact CB-CE1 4.19Å; L184-F188 HydrophobicContact CD1-CE1 4.34Å; L184-F188 HydrophobicContact CD1-CZ 4.02Å; P185-F188 WeakPolarHBondContact O-CD1 3.43Å; F188-K190 HydrophobicContact CD2-CG 4.16Å; F188-K190 HydrophobicContact CE2-CG 4.04Å; F188-C235 WeakPolarHBondContact O-CA 3.08Å; F188-Y236 HydrophobicContact CD2-CD2 4.37Å; F188-Y236 HydrophobicContact CE1-CG 4.49Å; F188-Y236 AromaticContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CG 4.12Å; F188-Y236 HydrophobicContact CZ-CD2 4.03Å; F188-Y236 AromaticContact CZ-CG 3.95Å; F188-Y236 HydrophobicContact CZ-CG 3.95Å; F188-Y236 PolarHBondContact N-O 3.2Å; F188-Y236 PolarHBondContact O-N 3.1Å |
| 189 | L | 96.8 | Very high | 90.3 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.3 | 178.8 | -73.5 | 178.4 | 0 | 0 | 0 | 112.7 | C203 L234 C235 A249 F250 P252 I253 | L189-C203 HydrophobicContact CB-CB 3.81Å; L189-L234 CarbonylContact C-O 3.51Å; L189-L234 WeakPolarHBondContact CA-O 3.05Å; L189-C235 HydrophobicContact CD2-CB 3.78Å; L189-A249 WeakPolarHBondContact CD1-O 3.44Å; L189-A249 WeakPolarHBondContact CG-O 3.47Å; L189-F250 HydrophobicContact CD2-CD1 3.86Å; L189-F250 HydrophobicContact CD2-CE1 3.99Å; L189-P252 HydrophobicContact CD1-CG 4.32Å; L189-I253 HydrophobicContact CD1-CD1 4.26Å; L189-I253 HydrophobicContact CD1-CG1 4.17Å |
| 190 | K | 96.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 159.4 | 161.5 | -65 | -70.3 | -174.1 | 159.3 | 0 | 109.7 | Y175 F188 P204 L206 L234 Y236 | Y175-K190 HydrophobicContact CE2-CG 4.18Å; Y175-K190 WeakPolarHBondContact OH-CE 3.27Å; Y175-K190 PolarHBondContact OH-NZ 2.84Å; F188-K190 HydrophobicContact CD2-CG 4.16Å; F188-K190 HydrophobicContact CE2-CG 4.04Å; K190-P204 CarbonylContact C-O 3.57Å; K190-P204 WeakPolarHBondContact CA-O 3.3Å; K190-P204 HydrophobicContact CD-CB 4.29Å; K190-L206 HydrophobicContact CB-CD1 3.88Å; K190-L206 HydrophobicContact CG-CD1 4.11Å; K190-L234 PolarHBondContact N-O 3.32Å; K190-L234 PolarHBondContact O-N 3.43Å; K190-Y236 HydrophobicContact CB-CE2 4.2Å; K190-Y236 HydrophobicContact CG-CD2 4.2Å; K190-Y236 HydrophobicContact CG-CE2 4.11Å |
| 191 | A | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A201 P204 L205 L206 I231 L232 Y233 | A191-A201 HydrophobicContact CB-CB 3.91Å; A191-P204 PolarHBondContact N-O 3.42Å; A191-L205 HydrophobicContact CB-CD2 4.05Å; A191-L205 CarbonylContact O-C 3.57Å; A191-L205 WeakPolarHBondContact O-CA 3.34Å; A191-L205 WeakPolarHBondContact O-CD2 3.44Å; A191-L206 PolarHBondContact O-N 3.24Å; A191-I231 HydrophobicContact CB-CD1 4.25Å; A191-I231 HydrophobicContact CB-CG1 4.42Å; A191-L232 CarbonylContact C-O 3.47Å; A191-L232 WeakPolarHBondContact CA-O 3.27Å; A191-Y233 HydrophobicContact CB-CD1 3.97Å; A191-Y233 HydrophobicContact CB-CE1 4.08Å |
| 192 | L | 97.5 | Very high | 92.6 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.3 | 167.6 | -170.5 | 62.4 | 0 | 0 | 0 | 108.3 | N210 V212 L220 I231 L232 | L192-N210 HydrophobicContact CD1-CB 4.06Å; L192-V212 HydrophobicContact CD2-CG2 3.69Å; L192-L220 HydrophobicContact CB-CD2 4.12Å; L192-L220 HydrophobicContact CD2-CD2 3.55Å; L192-L220 HydrophobicContact CG-CD2 3.76Å; L192-I231 CarbonylContact O-C 3.42Å; L192-L232 PolarHBondContact N-O 2.74Å; L192-L232 PolarHBondContact O-N 3.09Å |
| 193 | K | 97.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 54 Ų | 54 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.5 | -176.2 | 65.7 | 175 | 179 | 172.6 | 0 | 111.8 | F197 L205 A230 I231 | K193-F197 HydrophobicContact CB-CB 4.12Å; K193-F197 HydrophobicContact CB-CD1 4.31Å; K193-F197 HydrophobicContact CB-CG 4.39Å; K193-F197 HydrophobicContact CD-CB 4.42Å; K193-F197 HydrophobicContact CD-CD1 3.96Å; K193-L205 HydrophobicContact CG-CD2 4.4Å; K193-A230 WeakPolarHBondContact CA-O 2.95Å; K193-I231 HydrophobicContact CB-CB 4.27Å; K193-I231 HydrophobicContact CB-CD1 4.4Å; K193-I231 HydrophobicContact CB-CG1 4.11Å |
| 194 | T | 97 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | trans | -68.3 | 158.9 | 170 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | N196 F197 L220 C223 Q224 I228 A230 | T194-N196 PolarHBondContact O-N 2.95Å; T194-F197 PolarHBondContact O-N 3.28Å; T194-F197 VanDerWaalsContact O-N 3.11Å; T194-F197 PolarHBondContact OG1-N 3.1Å; T194-L220 HydrophobicContact CG2-CD1 3.91Å; T194-C223 HydrophobicContact CG2-CB 3.97Å; T194-Q224 VanDerWaalsContact CA-OE1 3.29Å; T194-Q224 HydrophobicContact CG2-CB 4.14Å; T194-I228 PolarHBondContact OG1-O 3.19Å; T194-A230 HydrophobicContact CG2-CB 3.76Å; T194-A230 PolarHBondContact N-O 2.89Å; T194-A230 PolarHBondContact OG1-N 3.43Å; T194-A230 PolarHBondContact OG1-O 2.9Å | ||
| 195 | Q | 95.9 | Very high | 95.2 | Very high | 145 Ų | 145 | 55.6 Ų | 55.6 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.8 | 177.2 | -62.7 | 178.5 | 7.6 | 0 | 0 | 113.2 | F197 K198 | Q195-F197 VanDerWaalsContact C-N 3.35Å; Q195-K198 PolarHBondContact O-NZ 3.15Å |
| 196 | N | 95.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.7 | -179.7 | -75.4 | 59.7 | 0 | 0 | 0 | 113.1 | T194 K198 K227 P229 | T194-N196 PolarHBondContact O-N 2.95Å; N196-K198 PolarHBondContact O-N 2.96Å; N196-K227 PolarHBondContact ND2-O 3.41Å; N196-P229 HydrophobicContact CB-CG 4.17Å |
| 197 | F | 95.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | trans | -81.8 | 110.8 | 177.2 | -165.9 | -84 | 0 | 0 | 0 | 111.3 | Q163 K193 T194 Q195 D199 P229 A230 I231 | Q163-F197 HydrophobicContact CG-CD2 4.37Å; Q163-F197 HydrophobicContact CG-CE2 3.96Å; K193-F197 HydrophobicContact CB-CB 4.12Å; K193-F197 HydrophobicContact CB-CD1 4.31Å; K193-F197 HydrophobicContact CB-CG 4.39Å; K193-F197 HydrophobicContact CD-CB 4.42Å; K193-F197 HydrophobicContact CD-CD1 3.96Å; T194-F197 PolarHBondContact O-N 3.28Å; T194-F197 VanDerWaalsContact O-N 3.11Å; T194-F197 PolarHBondContact OG1-N 3.1Å; Q195-F197 VanDerWaalsContact C-N 3.35Å; F197-D199 HydrophobicContact CD1-CB 4.38Å; F197-D199 WeakPolarHBondContact CD1-O 2.9Å; F197-D199 HydrophobicContact CE1-CB 3.63Å; F197-D199 VanDerWaalsContact CE1-O 3.27Å; F197-D199 WeakPolarHBondContact CE1-O 3.34Å; F197-D199 HydrophobicContact CZ-CB 3.98Å; F197-P229 HydrophobicContact CD2-CB 4.32Å; F197-A230 WeakPolarHBondContact CB-O 3.38Å; F197-I231 HydrophobicContact CD1-CB 4.22Å; F197-I231 HydrophobicContact CD1-CD1 4.34Å; F197-I231 HydrophobicContact CD2-CB 3.95Å; F197-I231 HydrophobicContact CD2-CG2 4.15Å; F197-I231 HydrophobicContact CE1-CB 3.99Å; F197-I231 HydrophobicContact CE1-CD1 3.81Å; F197-I231 HydrophobicContact CE1-CG1 4.49Å; F197-I231 HydrophobicContact CE1-CG2 4.16Å; F197-I231 HydrophobicContact CE2-CB 3.69Å; F197-I231 HydrophobicContact CE2-CG2 3.4Å; F197-I231 VanDerWaalsContact CE2-CG2 3.4Å; F197-I231 HydrophobicContact CG-CB 4.19Å; F197-I231 HydrophobicContact CZ-CB 3.73Å; F197-I231 HydrophobicContact CZ-CD1 4.15Å; F197-I231 HydrophobicContact CZ-CG2 3.43Å; F197-I231 VanDerWaalsContact CZ-CG2 3.43Å | ||
| 198 | K | 93.8 | Very high | 95.3 | Very high | 169 Ų | 169 | 59.4 Ų | 59.4 | 74% | 0.735 | 31% | 0.309 | S | S | * | . | trans | -95.6 | -23.1 | -173.1 | -57.2 | -51.3 | -176.1 | -169.2 | 0 | 114.5 | Q195 N196 | Q195-K198 PolarHBondContact O-NZ 3.15Å; N196-K198 PolarHBondContact O-N 2.96Å | ||
| 199 | D | 92.4 | Very high | 95 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -66.7 | 149.7 | -179.6 | -62.5 | -33 | 0 | 0 | 0 | 111 | Q163 F197 R257 | Q163-D199 PolarHBondContact NE2-OD2 3.23Å; F197-D199 HydrophobicContact CD1-CB 4.38Å; F197-D199 WeakPolarHBondContact CD1-O 2.9Å; F197-D199 HydrophobicContact CE1-CB 3.63Å; F197-D199 VanDerWaalsContact CE1-O 3.27Å; F197-D199 WeakPolarHBondContact CE1-O 3.34Å; F197-D199 HydrophobicContact CZ-CB 3.98Å; D199-R257 IonicContact OD1-NH1 3.58Å; D199-R257 IonicContact OD2-NH1 3.88Å |
| 200 | P | 92.9 | Very high | 94.7 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 72% | 0.721 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 146 | 173.8 | 28.6 | -34 | 0 | 0 | 0 | 111.3 | ||
| 201 | A | 94.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 151.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A191 C203 L205 I231 | A191-A201 HydrophobicContact CB-CB 3.91Å; A201-C203 VanDerWaalsContact C-N 3.27Å; A201-C203 WeakPolarHBondContact CB-O 3.47Å; A201-L205 HydrophobicContact CB-CD2 4.17Å; A201-I231 HydrophobicContact CB-CD1 3.86Å |
| 202 | C | 94.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -85.3 | 1.4 | 176.1 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | Y233 P252 T256 | C202-Y233 WeakPolarHBondContact SG-CE1 3.49Å; C202-P252 HydrophobicContact CB-CB 4.45Å; C202-T256 HydrophobicContact CB-CG2 3.94Å |
| 203 | C | 95.5 | Very high | 94 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 14% | 0.142 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -145.8 | 165 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | L189 A201 | L189-C203 HydrophobicContact CB-CB 3.81Å; A201-C203 VanDerWaalsContact C-N 3.27Å; A201-C203 WeakPolarHBondContact CB-O 3.47Å |
| 204 | P | 96 | Very high | 93.9 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 147 | 177.5 | -24.8 | 35.3 | 0 | 0 | 0 | 112.6 | K190 A191 | K190-P204 CarbonylContact C-O 3.57Å; K190-P204 WeakPolarHBondContact CA-O 3.3Å; K190-P204 HydrophobicContact CD-CB 4.29Å; A191-P204 PolarHBondContact N-O 3.42Å |
| 205 | L | 96.8 | Very high | 93.8 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 45% | 0.445 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 155 | 173.7 | -62.4 | 179.2 | 0 | 0 | 0 | 110.9 | A191 K193 A201 E207 | A191-L205 HydrophobicContact CB-CD2 4.05Å; A191-L205 CarbonylContact O-C 3.57Å; A191-L205 WeakPolarHBondContact O-CA 3.34Å; A191-L205 WeakPolarHBondContact O-CD2 3.44Å; K193-L205 HydrophobicContact CG-CD2 4.4Å; A201-L205 HydrophobicContact CB-CD2 4.17Å; L205-E207 PolarHBondContact O-N 3.46Å |
| 206 | L | 95.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 127.3 | 172.2 | -160.7 | 71.2 | 0 | 0 | 0 | 109.1 | Y175 K190 A191 N210 V212 L234 Y236 | Y175-L206 HydrophobicContact CD2-CD1 4.11Å; Y175-L206 HydrophobicContact CE2-CD1 3.79Å; K190-L206 HydrophobicContact CB-CD1 3.88Å; K190-L206 HydrophobicContact CG-CD1 4.11Å; A191-L206 PolarHBondContact O-N 3.24Å; L206-N210 HydrophobicContact CB-CB 4.25Å; L206-N210 HydrophobicContact CD2-CB 3.96Å; L206-N210 HydrophobicContact CG-CB 4.21Å; L206-V212 HydrophobicContact CD2-CG2 4.24Å; L206-L234 HydrophobicContact CD2-CD1 4.29Å; L206-Y236 HydrophobicContact CD1-CE2 3.94Å |
| 207 | E | 91.8 | Very high | 94 | Very high | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 168.5 | 177.6 | 64.6 | -167.8 | 152.9 | 0 | 0 | 111.7 | Y175 T177 L205 P209 N210 | Y175-E207 PolarHBondContact OH-OE1 3Å; T177-E207 WeakPolarHBondContact CB-OE1 3.28Å; T177-E207 PolarHBondContact OG1-OE1 2.9Å; L205-E207 PolarHBondContact O-N 3.46Å; E207-P209 CarbonylContact O-C 3.58Å; E207-N210 VanDerWaalsContact O-CA 3.25Å; E207-N210 WeakPolarHBondContact O-CA 3.41Å; E207-N210 WeakPolarHBondContact O-CB 3.49Å; E207-N210 PolarHBondContact O-N 3.21Å; E207-N210 VanDerWaalsContact O-N 3.13Å |
| 208 | Q | 90.9 | Very high | 94 | Very high | 169 Ų | 169 | 60.6 Ų | 60.6 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -77.6 | 134.4 | 174.1 | -71.7 | -173.4 | -10.3 | 0 | 0 | 110.3 | ||
| 209 | P | 89 | Confident | 94.2 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -80.4 | 123 | 2.4 | 33.4 | -34.3 | 0 | 0 | 0 | 112.1 | K176 E207 I211 | K176-P209 HydrophobicContact CB-CG 3.83Å; K176-P209 HydrophobicContact CG-CG 4.43Å; E207-P209 CarbonylContact O-C 3.58Å; P209-I211 HydrophobicContact CB-CD1 3.88Å; P209-I211 HydrophobicContact CB-CG1 4.04Å; P209-I211 HydrophobicContact CG-CD1 4.3Å; P209-I211 PolarHBondContact O-N 3.47Å |
| 210 | N | 91.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | trans | -86.6 | 55.4 | -173.8 | 58 | -10.6 | 0 | 0 | 0 | 112 | L192 L206 E207 | L192-N210 HydrophobicContact CD1-CB 4.06Å; L206-N210 HydrophobicContact CB-CB 4.25Å; L206-N210 HydrophobicContact CD2-CB 3.96Å; L206-N210 HydrophobicContact CG-CB 4.21Å; E207-N210 VanDerWaalsContact O-CA 3.25Å; E207-N210 WeakPolarHBondContact O-CA 3.41Å; E207-N210 WeakPolarHBondContact O-CB 3.49Å; E207-N210 PolarHBondContact O-N 3.21Å; E207-N210 VanDerWaalsContact O-N 3.13Å | ||
| 211 | I | 91.1 | Very high | 94.6 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 43% | 0.431 | 28% | 0.282 | S | S | . | . | trans | -83.1 | 136.1 | -173.2 | -59 | 168.1 | 0 | 0 | 0 | 110.4 | P209 H213 | P209-I211 HydrophobicContact CB-CD1 3.88Å; P209-I211 HydrophobicContact CB-CG1 4.04Å; P209-I211 HydrophobicContact CG-CD1 4.3Å; P209-I211 PolarHBondContact O-N 3.47Å; I211-H213 VanDerWaalsContact CG2-CE1 3.42Å; I211-H213 WeakPolarHBondContact CG2-CE1 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.2Å | ||
| 212 | V | 93.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | trans | -132.9 | 147.2 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | L192 L206 P216 A217 L232 L234 | L192-V212 HydrophobicContact CD2-CG2 3.69Å; L206-V212 HydrophobicContact CD2-CG2 4.24Å; V212-P216 HydrophobicContact CG1-CB 4.19Å; V212-A217 HydrophobicContact CB-CB 4Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; V212-A217 WeakPolarHBondContact O-CB 3.49Å; V212-L232 HydrophobicContact CB-CD2 4.32Å; V212-L232 HydrophobicContact CG1-CD2 3.58Å; V212-L232 HydrophobicContact CG2-CD2 3.9Å; V212-L234 HydrophobicContact CG1-CD2 4.48Å; V212-L234 HydrophobicContact CG2-CD1 3.87Å | ||
| 213 | H | 92.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 47 Ų | 47 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | trans | -118.2 | 166.7 | -178.3 | -56.7 | -73 | 0 | 0 | 0 | 112.6 | R170 I211 P216 | R170-H213 PolarHBondContact NH2-O 2.96Å; I211-H213 VanDerWaalsContact CG2-CE1 3.42Å; I211-H213 WeakPolarHBondContact CG2-CE1 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.2Å; H213-P216 WeakPolarHBondContact O-CD 3.32Å | ||
| 214 | D | 94.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | 58 | -158.1 | 174.7 | -48.7 | -39.7 | 0 | 0 | 0 | 114.8 | Q146 R170 P216 A217 A218 | Q146-D214 VanDerWaalsContact OE1-C 3.3Å; R170-D214 IonicContact CZ-OD2 3.77Å; R170-D214 VanDerWaalsContact CZ-OD2 3.22Å; R170-D214 IonicContact NH1-OD2 3.6Å; R170-D214 PolarHBondContact NH1-OD2 3.28Å; R170-D214 IonicContact NH2-OD2 2.77Å; R170-D214 PolarHBondContact NH2-OD2 2.92Å; D214-P216 VanDerWaalsContact C-N 3.32Å; D214-P216 VanDerWaalsContact O-N 3.17Å; D214-A217 WeakPolarHBondContact O-CA 3.5Å; D214-A217 WeakPolarHBondContact O-CB 3.27Å; D214-A217 PolarHBondContact O-N 3.47Å; D214-A218 PolarHBondContact O-N 2.92Å |
| 215 | L | 95.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -47 | -43.2 | -178.9 | -176.2 | 66.8 | 0 | 0 | 0 | 114.4 | I75 V141 Q146 W149 A217 A218 V219 | I75-L215 HydrophobicContact CD1-CB 4.2Å; I75-L215 HydrophobicContact CD1-CD2 3.81Å; I75-L215 HydrophobicContact CD1-CG 3.87Å; I75-L215 HydrophobicContact CG1-CD2 4.26Å; V141-L215 HydrophobicContact CB-CB 4.37Å; V141-L215 HydrophobicContact CB-CD2 4.35Å; V141-L215 HydrophobicContact CG2-CD2 3.7Å; Q146-L215 HydrophobicContact CG-CB 4.37Å; Q146-L215 HydrophobicContact CG-CD1 4.37Å; W149-L215 HydrophobicContact CD2-CD1 4.08Å; W149-L215 HydrophobicContact CE3-CD1 3.69Å; W149-L215 HydrophobicContact CZ2-CD2 4.5Å; W149-L215 HydrophobicContact CZ3-CD1 4.08Å; L215-A217 VanDerWaalsContact C-N 3.28Å; L215-A217 PolarHBondContact O-N 3.34Å; L215-A218 PolarHBondContact O-N 3.04Å; L215-V219 HydrophobicContact CD1-CG2 4.01Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 2.97Å |
| 216 | P | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.4 | -40.7 | 175.5 | -20.5 | 28.7 | 0 | 0 | 0 | 113.1 | I75 I166 T168 V212 H213 D214 L220 L232 | I75-P216 HydrophobicContact CB-CG 4.43Å; I75-P216 HydrophobicContact CD1-CB 4.21Å; I75-P216 HydrophobicContact CD1-CG 3.67Å; I75-P216 HydrophobicContact CG2-CG 4.33Å; I166-P216 HydrophobicContact CG2-CB 4.18Å; T168-P216 HydrophobicContact CG2-CB 4.1Å; T168-P216 HydrophobicContact CG2-CG 3.81Å; V212-P216 HydrophobicContact CG1-CB 4.19Å; H213-P216 WeakPolarHBondContact O-CD 3.32Å; D214-P216 VanDerWaalsContact C-N 3.32Å; D214-P216 VanDerWaalsContact O-N 3.17Å; P216-L220 WeakPolarHBondContact O-CB 3.5Å; P216-L220 PolarHBondContact O-N 3.29Å; P216-L232 HydrophobicContact CB-CD1 4.01Å; P216-L232 HydrophobicContact CB-CD2 4.32Å |
| 217 | A | 96.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V212 D214 L215 L220 S221 | V212-A217 HydrophobicContact CB-CB 4Å; V212-A217 HydrophobicContact CG1-CB 3.95Å; V212-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 WeakPolarHBondContact O-CA 3.5Å; D214-A217 WeakPolarHBondContact O-CB 3.27Å; D214-A217 PolarHBondContact O-N 3.47Å; L215-A217 VanDerWaalsContact C-N 3.28Å; L215-A217 PolarHBondContact O-N 3.34Å; A217-L220 PolarHBondContact O-N 3.27Å; A217-S221 VanDerWaalsContact O-CB 3.25Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 3.19Å; A217-S221 PolarHBondContact O-OG 3.22Å |
| 218 | A | 96.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q146 L150 D214 L215 S221 Y222 | Q146-A218 HydrophobicContact CB-CB 4.2Å; L150-A218 HydrophobicContact CD1-CB 3.9Å; D214-A218 PolarHBondContact O-N 2.92Å; L215-A218 PolarHBondContact O-N 3.04Å; A218-S221 PolarHBondContact O-N 3.42Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 3.34Å |
| 219 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.2 | 178 | 0 | 0 | 0 | 0 | 111.1 | I73 W149 L150 F154 I164 I166 L215 S221 Y222 C223 | I73-V219 HydrophobicContact CD1-CG1 3.86Å; I73-V219 HydrophobicContact CD1-CG2 4.34Å; W149-V219 HydrophobicContact CZ3-CG2 4.03Å; L150-V219 HydrophobicContact CD2-CB 4.25Å; L150-V219 HydrophobicContact CD2-CG2 3.69Å; F154-V219 HydrophobicContact CE2-CG1 4.25Å; F154-V219 HydrophobicContact CZ-CG1 3.96Å; I164-V219 HydrophobicContact CG2-CG1 4.21Å; I166-V219 HydrophobicContact CD1-CB 3.88Å; I166-V219 HydrophobicContact CD1-CG1 3.56Å; I166-V219 HydrophobicContact CG1-CG1 4.06Å; L215-V219 HydrophobicContact CD1-CG2 4.01Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 VanDerWaalsContact O-CG2 3.26Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 2.97Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.29Å; V219-Y222 PolarHBondContact O-N 3.34Å; V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 2.62Å |
| 220 | L | 97.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | -178.4 | -168.4 | 68.5 | 0 | 0 | 0 | 111.7 | I166 L192 T194 P216 A217 C223 Q224 A230 L232 | I166-L220 HydrophobicContact CD1-CB 4.19Å; I166-L220 HydrophobicContact CD1-CD1 4.36Å; L192-L220 HydrophobicContact CB-CD2 4.12Å; L192-L220 HydrophobicContact CD2-CD2 3.55Å; L192-L220 HydrophobicContact CG-CD2 3.76Å; T194-L220 HydrophobicContact CG2-CD1 3.91Å; P216-L220 WeakPolarHBondContact O-CB 3.5Å; P216-L220 PolarHBondContact O-N 3.29Å; A217-L220 PolarHBondContact O-N 3.27Å; L220-C223 PolarHBondContact O-N 3.03Å; L220-Q224 PolarHBondContact O-N 2.61Å; L220-A230 HydrophobicContact CD1-CB 4Å; L220-L232 HydrophobicContact CD1-CB 4.34Å; L220-L232 HydrophobicContact CD2-CB 4.2Å; L220-L232 HydrophobicContact CD2-CD2 4.23Å |
| 221 | S | 96.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65 | -45.2 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | A217 A218 V219 C223 Q224 V225 | A217-S221 VanDerWaalsContact O-CB 3.25Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 3.19Å; A217-S221 PolarHBondContact O-OG 3.22Å; A218-S221 PolarHBondContact O-N 3.42Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.29Å; S221-C223 VanDerWaalsContact C-N 3.3Å; S221-C223 PolarHBondContact O-N 3.15Å; S221-Q224 PolarHBondContact O-N 3.45Å; S221-Q224 VanDerWaalsContact O-N 3.16Å; S221-V225 WeakPolarHBondContact O-CG2 3.45Å; S221-V225 PolarHBondContact O-N 2.88Å |
| 222 | Y | 95.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 172.7 | -178.8 | -84.7 | 0 | 0 | 0 | 110.8 | L150 F154 G155 P158 A218 V219 Q224 V225 W226 I228 | L150-Y222 HydrophobicContact CB-CD2 4.42Å; L150-Y222 HydrophobicContact CD1-CD2 4.43Å; L150-Y222 HydrophobicContact CD2-CG 4.49Å; F154-Y222 HydrophobicContact CB-CE1 3.68Å; F154-Y222 HydrophobicContact CB-CE2 4.5Å; F154-Y222 WeakPolarHBondContact CB-OH 3.47Å; F154-Y222 HydrophobicContact CD1-CD1 4.32Å; F154-Y222 AromaticContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD1-CE1 3.87Å; F154-Y222 HydrophobicContact CD2-CE1 4.42Å; F154-Y222 HydrophobicContact CG-CD1 4.24Å; F154-Y222 AromaticContact CG-CE1 3.74Å; F154-Y222 HydrophobicContact CG-CE1 3.74Å; G155-Y222 PolarHBondContact O-OH 2.86Å; P158-Y222 HydrophobicContact CB-CE1 3.96Å; P158-Y222 WeakPolarHBondContact CB-OH 3.38Å; P158-Y222 WeakPolarHBondContact CD-OH 3.37Å; P158-Y222 HydrophobicContact CG-CE1 3.89Å; P158-Y222 VanDerWaalsContact CG-OH 3.3Å; P158-Y222 WeakPolarHBondContact CG-OH 3.49Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 3.34Å; V219-Y222 PolarHBondContact O-N 3.34Å; Y222-Q224 VanDerWaalsContact C-N 3.32Å; Y222-Q224 PolarHBondContact O-N 2.82Å; Y222-V225 PolarHBondContact O-N 3.32Å; Y222-W226 AromaticContact CD1-CD1 3.81Å; Y222-W226 AromaticContact CD2-CD1 3.74Å; Y222-W226 AromaticContact CD2-NE1 3.79Å; Y222-W226 AromaticContact CE1-CD1 3.63Å; Y222-W226 HydrophobicContact CE1-CG 4.25Å; Y222-W226 AromaticContact CE2-CD1 3.58Å; Y222-W226 AromaticContact CE2-NE1 3.38Å; Y222-W226 AromaticContact CG-CD1 3.86Å; Y222-W226 AromaticContact CZ-CD1 3.53Å; Y222-W226 AromaticContact CZ-NE1 3.61Å; Y222-W226 VanDerWaalsContact O-CD1 3.23Å; Y222-W226 PolarHBondContact O-N 2.92Å; Y222-I228 HydrophobicContact CD1-CD1 4.29Å; Y222-I228 HydrophobicContact CE1-CD1 3.99Å |
| 223 | C | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | T194 V219 L220 S221 K227 I228 A230 | T194-C223 HydrophobicContact CG2-CB 3.97Å; V219-C223 PolarHBondContact O-N 3.37Å; V219-C223 PolarHBondContact O-SG 2.62Å; L220-C223 PolarHBondContact O-N 3.03Å; S221-C223 VanDerWaalsContact C-N 3.3Å; S221-C223 PolarHBondContact O-N 3.15Å; C223-K227 PolarHBondContact O-N 3.2Å; C223-I228 HydrophobicContact CB-CB 4.05Å; C223-I228 PolarHBondContact O-N 2.81Å; C223-A230 HydrophobicContact CB-CB 3.49Å; C223-A230 VanDerWaalsContact CB-CB 3.49Å |
| 224 | Q | 95.4 | Very high | 96.3 | Very high | 64 Ų | 64 | 32 Ų | 32 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.5 | -177.7 | 57 | 46.1 | 0 | 0 | 111.9 | T194 L220 S221 Y222 K227 | T194-Q224 VanDerWaalsContact CA-OE1 3.29Å; T194-Q224 HydrophobicContact CG2-CB 4.14Å; L220-Q224 PolarHBondContact O-N 2.61Å; S221-Q224 PolarHBondContact O-N 3.45Å; S221-Q224 VanDerWaalsContact O-N 3.16Å; Y222-Q224 VanDerWaalsContact C-N 3.32Å; Y222-Q224 PolarHBondContact O-N 2.82Å; Q224-K227 PolarHBondContact O-N 3.35Å |
| 225 | V | 94.5 | Very high | 96.5 | Very high | 112 Ų | 112 | 30.2 Ų | 30.2 | 68% | 0.679 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -62 | -46.2 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | S221 Y222 K227 | S221-V225 WeakPolarHBondContact O-CG2 3.45Å; S221-V225 PolarHBondContact O-N 2.88Å; Y222-V225 PolarHBondContact O-N 3.32Å; V225-K227 PolarHBondContact O-N 2.93Å |
| 226 | W | 93.5 | Very high | 96.5 | Very high | 116 Ų | 116 | 30.4 Ų | 30.4 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 7.1 | -177.9 | -69.1 | 103.5 | 0 | 0 | 0 | 114.3 | P158 Y222 I228 | P158-W226 HydrophobicContact CG-CB 3.68Å; P158-W226 HydrophobicContact CG-CD2 3.47Å; P158-W226 VanDerWaalsContact CG-CD2 3.47Å; P158-W226 HydrophobicContact CG-CE3 3.69Å; P158-W226 HydrophobicContact CG-CG 3.46Å; P158-W226 VanDerWaalsContact CG-CG 3.46Å; P158-W226 HydrophobicContact CG-CZ3 4.45Å; Y222-W226 AromaticContact CD1-CD1 3.81Å; Y222-W226 AromaticContact CD2-CD1 3.74Å; Y222-W226 AromaticContact CD2-NE1 3.79Å; Y222-W226 AromaticContact CE1-CD1 3.63Å; Y222-W226 HydrophobicContact CE1-CG 4.25Å; Y222-W226 AromaticContact CE2-CD1 3.58Å; Y222-W226 AromaticContact CE2-NE1 3.38Å; Y222-W226 AromaticContact CG-CD1 3.86Å; Y222-W226 AromaticContact CZ-CD1 3.53Å; Y222-W226 AromaticContact CZ-NE1 3.61Å; Y222-W226 VanDerWaalsContact O-CD1 3.23Å; Y222-W226 PolarHBondContact O-N 2.92Å; W226-I228 HydrophobicContact CB-CD1 3.9Å; W226-I228 HydrophobicContact CB-CG1 3.89Å; W226-I228 PolarHBondContact O-N 3.33Å |
| 227 | K | 95.1 | Very high | 96.4 | Very high | 148 Ų | 148 | 30.4 Ų | 30.4 | 64% | 0.643 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 31.6 | 179.1 | -57.6 | -178.2 | -178.8 | 179.1 | 0 | 113.3 | N196 C223 Q224 V225 | N196-K227 PolarHBondContact ND2-O 3.41Å; C223-K227 PolarHBondContact O-N 3.2Å; Q224-K227 PolarHBondContact O-N 3.35Å; V225-K227 PolarHBondContact O-N 2.93Å |
| 228 | I | 95.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | trans | -84.7 | 126.1 | 177.2 | -54.3 | 172.6 | 0 | 0 | 0 | 108.6 | P158 M162 I164 T194 Y222 C223 W226 A230 | P158-I228 HydrophobicContact CB-CD1 3.65Å; P158-I228 HydrophobicContact CG-CD1 3.96Å; M162-I228 HydrophobicContact CE-CD1 4.41Å; M162-I228 WeakPolarHBondContact O-CG2 3.26Å; I164-I228 HydrophobicContact CG1-CG2 3.8Å; T194-I228 PolarHBondContact OG1-O 3.19Å; Y222-I228 HydrophobicContact CD1-CD1 4.29Å; Y222-I228 HydrophobicContact CE1-CD1 3.99Å; C223-I228 HydrophobicContact CB-CB 4.05Å; C223-I228 PolarHBondContact O-N 2.81Å; W226-I228 HydrophobicContact CB-CD1 3.9Å; W226-I228 HydrophobicContact CB-CG1 3.89Å; W226-I228 PolarHBondContact O-N 3.33Å; I228-A230 PolarHBondContact O-N 3.4Å | ||
| 229 | P | 96.8 | Very high | 95.9 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | trans | -59 | 107.5 | 172.6 | -22.2 | 31.2 | 0 | 0 | 0 | 111.9 | M162 Q163 I164 N196 F197 | M162-P229 WeakPolarHBondContact O-CD 3.14Å; Q163-P229 CarbonylContact C-O 3.6Å; Q163-P229 WeakPolarHBondContact CA-O 3.4Å; I164-P229 PolarHBondContact N-O 2.92Å; N196-P229 HydrophobicContact CB-CG 4.17Å; F197-P229 HydrophobicContact CD2-CB 4.32Å | ||
| 230 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I164 K193 T194 F197 L220 C223 I228 | I164-A230 HydrophobicContact CB-CB 3.75Å; I164-A230 HydrophobicContact CG1-CB 4.44Å; I164-A230 HydrophobicContact CG2-CB 4.43Å; I164-A230 WeakPolarHBondContact O-CA 3.44Å; K193-A230 WeakPolarHBondContact CA-O 2.95Å; T194-A230 HydrophobicContact CG2-CB 3.76Å; T194-A230 PolarHBondContact N-O 2.89Å; T194-A230 PolarHBondContact OG1-N 3.43Å; T194-A230 PolarHBondContact OG1-O 2.9Å; F197-A230 WeakPolarHBondContact CB-O 3.38Å; L220-A230 HydrophobicContact CD1-CB 4Å; C223-A230 HydrophobicContact CB-CB 3.49Å; C223-A230 VanDerWaalsContact CB-CB 3.49Å; I228-A230 PolarHBondContact O-N 3.4Å |
| 231 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.6 | 169.2 | -171.3 | 161.2 | 0 | 0 | 0 | 110 | I164 T165 I166 A191 L192 K193 F197 A201 Y233 | I164-I231 PolarHBondContact O-N 2.85Å; T165-I231 CarbonylContact C-O 2.98Å; T165-I231 WeakPolarHBondContact CA-O 3.5Å; T165-I231 HydrophobicContact CG2-CG2 4.26Å; I166-I231 PolarHBondContact N-O 2.87Å; A191-I231 HydrophobicContact CB-CD1 4.25Å; A191-I231 HydrophobicContact CB-CG1 4.42Å; L192-I231 CarbonylContact O-C 3.42Å; K193-I231 HydrophobicContact CB-CB 4.27Å; K193-I231 HydrophobicContact CB-CD1 4.4Å; K193-I231 HydrophobicContact CB-CG1 4.11Å; F197-I231 HydrophobicContact CD1-CB 4.22Å; F197-I231 HydrophobicContact CD1-CD1 4.34Å; F197-I231 HydrophobicContact CD2-CB 3.95Å; F197-I231 HydrophobicContact CD2-CG2 4.15Å; F197-I231 HydrophobicContact CE1-CB 3.99Å; F197-I231 HydrophobicContact CE1-CD1 3.81Å; F197-I231 HydrophobicContact CE1-CG1 4.49Å; F197-I231 HydrophobicContact CE1-CG2 4.16Å; F197-I231 HydrophobicContact CE2-CB 3.69Å; F197-I231 HydrophobicContact CE2-CG2 3.4Å; F197-I231 VanDerWaalsContact CE2-CG2 3.4Å; F197-I231 HydrophobicContact CG-CB 4.19Å; F197-I231 HydrophobicContact CZ-CB 3.73Å; F197-I231 HydrophobicContact CZ-CD1 4.15Å; F197-I231 HydrophobicContact CZ-CG2 3.43Å; F197-I231 VanDerWaalsContact CZ-CG2 3.43Å; A201-I231 HydrophobicContact CB-CD1 3.86Å; I231-Y233 HydrophobicContact CD1-CE1 4.07Å; I231-Y233 HydrophobicContact CD1-CE2 4.14Å; I231-Y233 HydrophobicContact CG1-CE2 4.1Å; I231-Y233 HydrophobicContact CG2-CD2 4.46Å; I231-Y233 HydrophobicContact CG2-CE2 3.79Å |
| 232 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.8 | 172.9 | 167.5 | 65.1 | 0 | 0 | 0 | 108.5 | I166 T168 A191 L192 V212 P216 L220 L234 | I166-L232 HydrophobicContact CB-CB 4.29Å; I166-L232 HydrophobicContact CB-CD1 3.65Å; I166-L232 HydrophobicContact CD1-CB 4.41Å; I166-L232 HydrophobicContact CG2-CD1 3.54Å; I166-L232 CarbonylContact O-C 3.52Å; I166-L232 WeakPolarHBondContact O-CA 3.47Å; T168-L232 HydrophobicContact CG2-CD1 3.93Å; A191-L232 CarbonylContact C-O 3.47Å; A191-L232 WeakPolarHBondContact CA-O 3.27Å; L192-L232 PolarHBondContact N-O 2.74Å; L192-L232 PolarHBondContact O-N 3.09Å; V212-L232 HydrophobicContact CB-CD2 4.32Å; V212-L232 HydrophobicContact CG1-CD2 3.58Å; V212-L232 HydrophobicContact CG2-CD2 3.9Å; P216-L232 HydrophobicContact CB-CD1 4.01Å; P216-L232 HydrophobicContact CB-CD2 4.32Å; L220-L232 HydrophobicContact CD1-CB 4.34Å; L220-L232 HydrophobicContact CD2-CB 4.2Å; L220-L232 HydrophobicContact CD2-CD2 4.23Å; L232-L234 HydrophobicContact CD1-CG 4.31Å; L232-L234 HydrophobicContact CD2-CD1 3.8Å; L232-L234 HydrophobicContact CD2-CD2 4.3Å; L232-L234 HydrophobicContact CD2-CG 3.94Å; L232-L234 HydrophobicContact CG-CD1 4.18Å; L232-L234 HydrophobicContact CG-CG 3.94Å |
| 233 | Y | 98.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.1 | 168.1 | -64.3 | -80.9 | 0 | 0 | 0 | 109.4 | T165 I166 L167 T168 A191 C202 I231 I253 T256 | T165-Y233 HydrophobicContact CG2-CD2 4.07Å; T165-Y233 HydrophobicContact CG2-CE2 4.01Å; I166-Y233 PolarHBondContact O-N 3.4Å; L167-Y233 HydrophobicContact CD2-CD2 3.71Å; L167-Y233 HydrophobicContact CD2-CG 4.2Å; T168-Y233 PolarHBondContact N-O 3.35Å; A191-Y233 HydrophobicContact CB-CD1 3.97Å; A191-Y233 HydrophobicContact CB-CE1 4.08Å; C202-Y233 WeakPolarHBondContact SG-CE1 3.49Å; I231-Y233 HydrophobicContact CD1-CE1 4.07Å; I231-Y233 HydrophobicContact CD1-CE2 4.14Å; I231-Y233 HydrophobicContact CG1-CE2 4.1Å; I231-Y233 HydrophobicContact CG2-CD2 4.46Å; I231-Y233 HydrophobicContact CG2-CE2 3.79Å; Y233-I253 HydrophobicContact CD1-CD1 3.93Å; Y233-I253 HydrophobicContact CD1-CG1 4.11Å; Y233-I253 HydrophobicContact CD2-CD1 3.8Å; Y233-I253 HydrophobicContact CD2-CG1 4.3Å; Y233-I253 HydrophobicContact CD2-CG2 4.3Å; Y233-I253 HydrophobicContact CE1-CG1 4.32Å; Y233-I253 HydrophobicContact CE2-CD1 4.44Å; Y233-I253 HydrophobicContact CE2-CG1 4.48Å; Y233-I253 HydrophobicContact CE2-CG2 4.13Å; Y233-I253 HydrophobicContact CG-CD1 3.49Å; Y233-I253 VanDerWaalsContact CG-CD1 3.49Å; Y233-I253 HydrophobicContact CG-CG1 4.09Å; Y233-T256 WeakPolarHBondContact OH-CG2 3.37Å |
| 234 | L | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.6 | -179.8 | -75.1 | 153.4 | 0 | 0 | 0 | 108.6 | T168 R170 L189 K190 L206 V212 L232 Y236 | T168-L234 HydrophobicContact CG2-CD2 3.39Å; T168-L234 HydrophobicContact CG2-CG 4.3Å; R170-L234 HydrophobicContact CG-CD2 4.02Å; L189-L234 CarbonylContact C-O 3.51Å; L189-L234 WeakPolarHBondContact CA-O 3.05Å; K190-L234 PolarHBondContact N-O 3.32Å; K190-L234 PolarHBondContact O-N 3.43Å; L206-L234 HydrophobicContact CD2-CD1 4.29Å; V212-L234 HydrophobicContact CG1-CD2 4.48Å; V212-L234 HydrophobicContact CG2-CD1 3.87Å; L232-L234 HydrophobicContact CD1-CG 4.31Å; L232-L234 HydrophobicContact CD2-CD1 3.8Å; L232-L234 HydrophobicContact CD2-CD2 4.3Å; L232-L234 HydrophobicContact CD2-CG 3.94Å; L232-L234 HydrophobicContact CG-CD1 4.18Å; L232-L234 HydrophobicContact CG-CG 3.94Å; L234-Y236 HydrophobicContact CB-CE2 4.11Å |
| 235 | C | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 111.2 | 168.9 | -171.5 | 0 | 0 | 0 | 0 | 109 | T168 C169 R170 F188 L189 F250 | T168-C235 PolarHBondContact O-N 2.66Å; C169-C235 CarbonylContact C-O 3.43Å; C169-C235 WeakPolarHBondContact CA-O 3.37Å; R170-C235 PolarHBondContact N-O 3.03Å; F188-C235 WeakPolarHBondContact O-CA 3.08Å; L189-C235 HydrophobicContact CD2-CB 3.78Å; C235-F250 HydrophobicContact CB-CD2 4.47Å; C235-F250 HydrophobicContact CB-CE1 3.79Å; C235-F250 HydrophobicContact CB-CE2 3.68Å; C235-F250 HydrophobicContact CB-CZ 3.29Å |
| 236 | Y | 95.8 | Very high | 94 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.6 | 171.3 | -71.9 | -78.7 | 0 | 0 | 0 | 108.9 | R170 H171 D174 Y175 P187 F188 K190 L206 L234 | R170-Y236 HydrophobicContact CB-CD1 3.87Å; R170-Y236 HydrophobicContact CB-CE1 3.75Å; R170-Y236 WeakPolarHBondContact O-CA 3.23Å; H171-Y236 WeakPolarHBondContact O-CD1 3.46Å; D174-Y236 HydrophobicContact CB-CE1 4.44Å; Y175-Y236 AromaticContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CD2 3.99Å; Y175-Y236 HydrophobicContact CD2-CE1 4.19Å; Y175-Y236 AromaticContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CE2 3.54Å; Y175-Y236 HydrophobicContact CD2-CG 4.48Å; Y175-Y236 AromaticContact CD2-CZ 3.65Å; Y175-Y236 HydrophobicContact CE2-CE2 4.23Å; Y175-Y236 HydrophobicContact CG-CD1 4.5Å; Y175-Y236 HydrophobicContact CG-CD2 4.4Å; Y175-Y236 HydrophobicContact CG-CE1 4.39Å; Y175-Y236 HydrophobicContact CG-CE2 4.3Å; Y175-Y236 HydrophobicContact CG-CG 4.48Å; P187-Y236 CarbonylContact C-O 3.51Å; P187-Y236 WeakPolarHBondContact CA-O 3.34Å; P187-Y236 WeakPolarHBondContact CB-O 3.28Å; F188-Y236 HydrophobicContact CD2-CD2 4.37Å; F188-Y236 HydrophobicContact CE1-CG 4.49Å; F188-Y236 AromaticContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CD2 3.73Å; F188-Y236 HydrophobicContact CE2-CG 4.12Å; F188-Y236 HydrophobicContact CZ-CD2 4.03Å; F188-Y236 AromaticContact CZ-CG 3.95Å; F188-Y236 HydrophobicContact CZ-CG 3.95Å; F188-Y236 PolarHBondContact N-O 3.2Å; F188-Y236 PolarHBondContact O-N 3.1Å; K190-Y236 HydrophobicContact CB-CE2 4.2Å; K190-Y236 HydrophobicContact CG-CD2 4.2Å; K190-Y236 HydrophobicContact CG-CE2 4.11Å; L206-Y236 HydrophobicContact CD1-CE2 3.94Å; L234-Y236 HydrophobicContact CB-CE2 4.11Å |
| 237 | T | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.4 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | R170 H171 V172 S186 V239 M240 T246 | R170-T237 PolarHBondContact O-N 2.86Å; H171-T237 CarbonylContact C-O 3.43Å; H171-T237 WeakPolarHBondContact CA-O 3.21Å; H171-T237 PolarHBondContact CD2-O 3.13Å; V172-T237 PolarHBondContact N-O 3.27Å; S186-T237 WeakPolarHBondContact OG-CA 3.3Å; T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 WeakPolarHBondContact CG2-O 3.36Å; T237-V239 PolarHBondContact OG1-N 2.64Å; T237-V239 VanDerWaalsContact OG1-N 3.11Å; T237-V239 PolarHBondContact OG1-O 3.27Å; T237-M240 HydrophobicContact CG2-SD 3.95Å; T237-T246 WeakPolarHBondContact CB-OG1 3.33Å; T237-T246 HydrophobicContact CG2-CG2 3.84Å; T237-T246 PolarHBondContact OG1-OG1 3.29Å |
| 238 | D | 92.8 | Very high | 94 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 50% | 0.503 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -84.3 | -10.5 | 169.4 | 56.3 | -29.6 | 0 | 0 | 0 | 112.1 | H171 V172 S186 | H171-D238 PolarHBondContact NE2-O 2.98Å; V172-D238 HydrophobicContact CG1-CB 4.27Å; S186-D238 PolarHBondContact OG-N 3.49Å; S186-D238 PolarHBondContact OG-OD1 3.28Å |
| 239 | V | 90.8 | Very high | 94 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | trans | -118.8 | 102.2 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 110 | T237 K241 D243 | T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 WeakPolarHBondContact CG2-O 3.36Å; T237-V239 PolarHBondContact OG1-N 2.64Å; T237-V239 VanDerWaalsContact OG1-N 3.11Å; T237-V239 PolarHBondContact OG1-O 3.27Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 HydrophobicContact CG1-CB 4.18Å; V239-D243 HydrophobicContact CG1-CB 4.25Å | ||
| 240 | M | 88.4 | Confident | 94 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | trans | -80.4 | -14.7 | 178.4 | -65.4 | -67.1 | -104.4 | 0 | 0 | 113.5 | H171 T237 | H171-M240 HydrophobicContact CB-CE 3.86Å; H171-M240 HydrophobicContact CB-CG 4.03Å; H171-M240 HydrophobicContact CB-SD 3.98Å; H171-M240 PolarHBondContact N-SD 2.86Å; T237-M240 HydrophobicContact CG2-SD 3.95Å | ||
| 241 | K | 88.1 | Confident | 93.9 | Very high | 173 Ų | 173 | 39.2 Ų | 39.2 | 75% | 0.752 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -68 | 161.8 | 170.4 | -68.2 | -172.9 | 178.9 | -176.7 | 0 | 109.7 | N78 V239 D243 | N78-K241 PolarHBondContact ND2-O 2.77Å; V239-K241 VanDerWaalsContact C-N 3.31Å; V239-K241 HydrophobicContact CG1-CB 4.18Å; K241-D243 PolarHBondContact O-N 3.33Å |
| 242 | L | 87.6 | Confident | 93.7 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | trans | -64.1 | 122.5 | 175 | 179.5 | 70.5 | 0 | 0 | 0 | 109.2 | N77 N78 A81 V247 M277 N280 | N77-L242 HydrophobicContact CB-CB 4.35Å; N77-L242 HydrophobicContact CB-CD1 4.4Å; N78-L242 WeakPolarHBondContact OD1-CA 3.34Å; N78-L242 WeakPolarHBondContact OD1-CD1 3.48Å; A81-L242 HydrophobicContact CB-CD1 3.51Å; L242-V247 HydrophobicContact CD1-CG2 4.13Å; L242-M277 HydrophobicContact CD1-CE 3.55Å; L242-M277 HydrophobicContact CD1-SD 4.29Å; L242-M277 HydrophobicContact CD2-CE 4.09Å; L242-M277 HydrophobicContact CD2-SD 3.88Å; L242-M277 HydrophobicContact CG-CE 3.58Å; L242-M277 HydrophobicContact CG-SD 3.62Å; L242-N280 HydrophobicContact CD2-CB 4.3Å; L242-N280 WeakPolarHBondContact CD2-ND2 3.29Å | ||
| 243 | D | 89.4 | Confident | 93.6 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | trans | -147.2 | 154.1 | 178.5 | 78 | -67.1 | 0 | 0 | 0 | 111.7 | N78 V239 K241 I245 T246 V247 | N78-D243 PolarHBondContact OD1-N 3.34Å; N78-D243 PolarHBondContact OD1-O 2.87Å; V239-D243 HydrophobicContact CG1-CB 4.25Å; K241-D243 PolarHBondContact O-N 3.33Å; D243-I245 VanDerWaalsContact C-N 3.35Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 WeakPolarHBondContact OD2-CB 3.15Å; D243-I245 PolarHBondContact OD2-N 3Å; D243-I245 VanDerWaalsContact OD2-N 3.09Å; D243-T246 VanDerWaalsContact CG-OG1 3.29Å; D243-T246 WeakPolarHBondContact OD1-CB 3.45Å; D243-T246 PolarHBondContact OD1-OG1 3.06Å; D243-T246 PolarHBondContact OD2-N 3.27Å; D243-T246 PolarHBondContact OD2-OG1 3.44Å; D243-V247 VanDerWaalsContact O-CG2 3.27Å; D243-V247 WeakPolarHBondContact O-CG2 3.07Å; D243-V247 PolarHBondContact O-N 3.36Å | ||
| 244 | L | 91.2 | Very high | 93.3 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -40.1 | -176.5 | -177.9 | 62.3 | 0 | 0 | 0 | 112 | V247 E248 L273 | L244-V247 PolarHBondContact O-N 2.98Å; L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.27Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.27Å; L244-E248 WeakPolarHBondContact O-CG 3.4Å; L244-E248 PolarHBondContact O-N 3.33Å; L244-L273 HydrophobicContact CD1-CD2 3.37Å; L244-L273 HydrophobicContact CD1-CG 3.66Å |
| 245 | I | 93.3 | Very high | 93 | Very high | 115 Ų | 115 | 47.4 Ų | 47.4 | 59% | 0.59 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -67.7 | -46.6 | -171.4 | -53.3 | 177.7 | 0 | 0 | 0 | 109.8 | P187 D243 V247 E248 A249 | P187-I245 HydrophobicContact CG-CG2 3.83Å; D243-I245 VanDerWaalsContact C-N 3.35Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 WeakPolarHBondContact OD2-CB 3.15Å; D243-I245 PolarHBondContact OD2-N 3Å; D243-I245 VanDerWaalsContact OD2-N 3.09Å; I245-V247 PolarHBondContact O-N 3.27Å; I245-E248 PolarHBondContact O-N 3.21Å; I245-A249 PolarHBondContact O-N 3.07Å; I245-A249 VanDerWaalsContact O-N 3.08Å |
| 246 | T | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | N78 T237 D243 E248 A249 F250 | N78-T246 HydrophobicContact CB-CG2 3.97Å; T237-T246 WeakPolarHBondContact CB-OG1 3.33Å; T237-T246 HydrophobicContact CG2-CG2 3.84Å; T237-T246 PolarHBondContact OG1-OG1 3.29Å; D243-T246 VanDerWaalsContact CG-OG1 3.29Å; D243-T246 WeakPolarHBondContact OD1-CB 3.45Å; D243-T246 PolarHBondContact OD1-OG1 3.06Å; D243-T246 PolarHBondContact OD2-N 3.27Å; D243-T246 PolarHBondContact OD2-OG1 3.44Å; T246-E248 VanDerWaalsContact C-N 3.34Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.08Å; T246-F250 WeakPolarHBondContact O-CD2 3.24Å |
| 247 | V | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | N78 A81 F82 F86 L242 D243 L244 I245 A249 F250 L273 M277 | N78-V247 HydrophobicContact CB-CG2 4.16Å; N78-V247 WeakPolarHBondContact OD1-CG2 3.34Å; A81-V247 HydrophobicContact CB-CG2 4.04Å; F82-V247 HydrophobicContact CB-CG1 3.9Å; F82-V247 HydrophobicContact CD2-CG1 4.29Å; F86-V247 HydrophobicContact CE2-CG1 4.36Å; L242-V247 HydrophobicContact CD1-CG2 4.13Å; D243-V247 VanDerWaalsContact O-CG2 3.27Å; D243-V247 WeakPolarHBondContact O-CG2 3.07Å; D243-V247 PolarHBondContact O-N 3.36Å; L244-V247 PolarHBondContact O-N 2.98Å; I245-V247 PolarHBondContact O-N 3.27Å; V247-A249 PolarHBondContact O-N 2.72Å; V247-F250 PolarHBondContact O-N 3.24Å; V247-L273 HydrophobicContact CB-CD1 4.26Å; V247-L273 HydrophobicContact CB-CD2 4.06Å; V247-L273 HydrophobicContact CG1-CD1 3.69Å; V247-L273 HydrophobicContact CG1-CD2 3.44Å; V247-L273 VanDerWaalsContact CG1-CD2 3.44Å; V247-L273 HydrophobicContact CG1-CG 4.22Å; V247-L273 HydrophobicContact CG2-CD1 4.32Å; V247-M277 HydrophobicContact CB-CE 4.44Å; V247-M277 HydrophobicContact CG2-CE 3.71Å |
| 248 | E | 93.6 | Very high | 92 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -26.1 | 179.2 | -70.5 | -156.1 | 154.5 | 0 | 0 | 113.2 | L244 I245 T246 F250 K251 L273 | L244-E248 HydrophobicContact CD1-CG 4.04Å; L244-E248 HydrophobicContact CG-CG 4.27Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.27Å; L244-E248 WeakPolarHBondContact O-CG 3.4Å; L244-E248 PolarHBondContact O-N 3.33Å; I245-E248 PolarHBondContact O-N 3.21Å; T246-E248 VanDerWaalsContact C-N 3.34Å; E248-F250 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact O-N 3.12Å; E248-K251 HydrophobicContact CB-CD 4.2Å; E248-K251 HydrophobicContact CG-CD 4.46Å; E248-K251 VanDerWaalsContact O-CB 3.23Å; E248-K251 WeakPolarHBondContact O-CB 2.89Å; E248-K251 WeakPolarHBondContact O-CG 3.25Å; E248-K251 PolarHBondContact O-N 2.86Å; E248-K251 IonicContact OE1-NZ 2.81Å; E248-K251 PolarHBondContact OE1-NZ 3.11Å; E248-K251 IonicContact OE2-NZ 3.94Å; E248-K251 PolarHBondContact OE2-NZ 3.02Å; E248-L273 HydrophobicContact CG-CD2 4.49Å |
| 249 | A | 95.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.3 | -24.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | P187 L189 I245 T246 V247 K251 P252 | P187-A249 HydrophobicContact CB-CB 4.12Å; P187-A249 HydrophobicContact CG-CB 3.85Å; L189-A249 WeakPolarHBondContact CD1-O 3.44Å; L189-A249 WeakPolarHBondContact CG-O 3.47Å; I245-A249 PolarHBondContact O-N 3.07Å; I245-A249 VanDerWaalsContact O-N 3.08Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.08Å; V247-A249 PolarHBondContact O-N 2.72Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-P252 WeakPolarHBondContact O-CD 3.49Å |
| 250 | F | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.4 | 176 | -68.9 | -80.6 | 0 | 0 | 0 | 114.4 | A79 F82 L167 T168 C169 L189 C235 T246 V247 E248 P252 I253 | A79-F250 HydrophobicContact CB-CZ 4.26Å; F82-F250 HydrophobicContact CB-CB 4.38Å; F82-F250 HydrophobicContact CB-CD2 4.39Å; F82-F250 HydrophobicContact CD1-CB 3.8Å; F82-F250 HydrophobicContact CD1-CG 4.37Å; F82-F250 HydrophobicContact CD2-CB 3.49Å; F82-F250 VanDerWaalsContact CD2-CB 3.49Å; F82-F250 HydrophobicContact CD2-CG 4.49Å; F82-F250 HydrophobicContact CE1-CB 3.83Å; F82-F250 HydrophobicContact CE2-CB 3.53Å; F82-F250 HydrophobicContact CG-CB 3.61Å; F82-F250 HydrophobicContact CG-CD2 4.49Å; F82-F250 HydrophobicContact CG-CG 4.23Å; F82-F250 HydrophobicContact CZ-CB 3.67Å; F82-F250 VanDerWaalsContact CZ-O 3.25Å; F82-F250 WeakPolarHBondContact CZ-O 3.45Å; L167-F250 HydrophobicContact CB-CE1 4.29Å; T168-F250 WeakPolarHBondContact O-CZ 3.19Å; C169-F250 VanDerWaalsContact SG-CE2 3.53Å; C169-F250 VanDerWaalsContact SG-CZ 3.52Å; L189-F250 HydrophobicContact CD2-CD1 3.86Å; L189-F250 HydrophobicContact CD2-CE1 3.99Å; C235-F250 HydrophobicContact CB-CD2 4.47Å; C235-F250 HydrophobicContact CB-CE1 3.79Å; C235-F250 HydrophobicContact CB-CE2 3.68Å; C235-F250 HydrophobicContact CB-CZ 3.29Å; T246-F250 WeakPolarHBondContact O-CD2 3.24Å; V247-F250 PolarHBondContact O-N 3.24Å; E248-F250 PolarHBondContact O-N 3.38Å; E248-F250 VanDerWaalsContact O-N 3.12Å; F250-P252 VanDerWaalsContact C-N 3.32Å; F250-P252 VanDerWaalsContact O-N 3.13Å; F250-I253 HydrophobicContact CB-CD1 4.35Å; F250-I253 HydrophobicContact CD1-CD1 3.63Å; F250-I253 HydrophobicContact CG-CD1 4.48Å; F250-I253 VanDerWaalsContact O-CB 3.25Å; F250-I253 WeakPolarHBondContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CG1 3.21Å; F250-I253 PolarHBondContact O-N 3.27Å |
| 251 | K | 94.4 | Very high | 91.3 | Very high | 66 Ų | 66 | 56 Ų | 56 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -48.6 | -39 | -178.3 | -78.5 | 173.9 | 179 | 170.6 | 0 | 115.1 | F86 E248 A249 I253 L254 | F86-K251 HydrophobicContact CZ-CG 4.43Å; E248-K251 HydrophobicContact CB-CD 4.2Å; E248-K251 HydrophobicContact CG-CD 4.46Å; E248-K251 VanDerWaalsContact O-CB 3.23Å; E248-K251 WeakPolarHBondContact O-CB 2.89Å; E248-K251 WeakPolarHBondContact O-CG 3.25Å; E248-K251 PolarHBondContact O-N 2.86Å; E248-K251 IonicContact OE1-NZ 2.81Å; E248-K251 PolarHBondContact OE1-NZ 3.11Å; E248-K251 IonicContact OE2-NZ 3.94Å; E248-K251 PolarHBondContact OE2-NZ 3.02Å; A249-K251 VanDerWaalsContact C-N 3.34Å; K251-I253 PolarHBondContact O-N 2.58Å; K251-L254 HydrophobicContact CG-CD1 4.47Å; K251-L254 VanDerWaalsContact O-CB 3.3Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 VanDerWaalsContact O-CG 3.31Å; K251-L254 WeakPolarHBondContact O-CG 3.19Å; K251-L254 PolarHBondContact O-N 3.49Å |
| 252 | P | 95.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -56 | -27.1 | 177.6 | -27 | 36.9 | 0 | 0 | 0 | 113.8 | L189 C202 A249 F250 L254 S255 | L189-P252 HydrophobicContact CD1-CG 4.32Å; C202-P252 HydrophobicContact CB-CB 4.45Å; A249-P252 WeakPolarHBondContact O-CD 3.49Å; F250-P252 VanDerWaalsContact C-N 3.32Å; F250-P252 VanDerWaalsContact O-N 3.13Å; P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 3.38Å; P252-S255 PolarHBondContact O-N 2.85Å |
| 253 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -69.4 | -24.8 | -178.9 | -57.1 | 176.4 | 0 | 0 | 0 | 111.8 | L167 L189 Y233 F250 K251 S255 T256 L259 | L167-I253 HydrophobicContact CD2-CD1 3.6Å; L167-I253 HydrophobicContact CD2-CG2 4.22Å; L189-I253 HydrophobicContact CD1-CD1 4.26Å; L189-I253 HydrophobicContact CD1-CG1 4.17Å; Y233-I253 HydrophobicContact CD1-CD1 3.93Å; Y233-I253 HydrophobicContact CD1-CG1 4.11Å; Y233-I253 HydrophobicContact CD2-CD1 3.8Å; Y233-I253 HydrophobicContact CD2-CG1 4.3Å; Y233-I253 HydrophobicContact CD2-CG2 4.3Å; Y233-I253 HydrophobicContact CE1-CG1 4.32Å; Y233-I253 HydrophobicContact CE2-CD1 4.44Å; Y233-I253 HydrophobicContact CE2-CG1 4.48Å; Y233-I253 HydrophobicContact CE2-CG2 4.13Å; Y233-I253 HydrophobicContact CG-CD1 3.49Å; Y233-I253 VanDerWaalsContact CG-CD1 3.49Å; Y233-I253 HydrophobicContact CG-CG1 4.09Å; F250-I253 HydrophobicContact CB-CD1 4.35Å; F250-I253 HydrophobicContact CD1-CD1 3.63Å; F250-I253 HydrophobicContact CG-CD1 4.48Å; F250-I253 VanDerWaalsContact O-CB 3.25Å; F250-I253 WeakPolarHBondContact O-CB 3.31Å; F250-I253 WeakPolarHBondContact O-CG1 3.21Å; F250-I253 PolarHBondContact O-N 3.27Å; K251-I253 PolarHBondContact O-N 2.58Å; I253-S255 PolarHBondContact O-N 3.09Å; I253-S255 VanDerWaalsContact O-N 3.14Å; I253-T256 HydrophobicContact CG2-CG2 4.3Å; I253-T256 WeakPolarHBondContact O-CB 3.18Å; I253-T256 WeakPolarHBondContact O-CG2 3.47Å; I253-T256 PolarHBondContact O-N 3.44Å; I253-T256 PolarHBondContact O-OG1 3.08Å; I253-L259 HydrophobicContact CG2-CD1 3.7Å; I253-L259 HydrophobicContact CG2-CD2 4.23Å |
| 254 | L | 92.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -59 | -27.7 | 177.1 | -59.4 | 176 | 0 | 0 | 0 | 112.2 | F82 F86 K251 P252 T256 L259 K260 V263 | F82-L254 HydrophobicContact CE1-CD2 4.16Å; F82-L254 HydrophobicContact CE2-CD1 4.38Å; F82-L254 HydrophobicContact CE2-CD2 3.96Å; F82-L254 HydrophobicContact CE2-CG 4.12Å; F82-L254 HydrophobicContact CZ-CD1 4.47Å; F82-L254 HydrophobicContact CZ-CD2 3.39Å; F82-L254 HydrophobicContact CZ-CG 3.73Å; F86-L254 HydrophobicContact CB-CD1 4.35Å; F86-L254 HydrophobicContact CB-CD2 3.7Å; F86-L254 HydrophobicContact CD1-CD1 3.79Å; F86-L254 HydrophobicContact CE1-CD1 4.35Å; F86-L254 HydrophobicContact CG-CD1 4.14Å; F86-L254 HydrophobicContact CG-CD2 4.29Å; K251-L254 HydrophobicContact CG-CD1 4.47Å; K251-L254 VanDerWaalsContact O-CB 3.3Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 VanDerWaalsContact O-CG 3.31Å; K251-L254 WeakPolarHBondContact O-CG 3.19Å; K251-L254 PolarHBondContact O-N 3.49Å; P252-L254 VanDerWaalsContact C-N 3.26Å; P252-L254 PolarHBondContact O-N 3.38Å; L254-T256 VanDerWaalsContact C-N 3.35Å; L254-L259 HydrophobicContact CD2-CD2 4.29Å; L254-K260 WeakPolarHBondContact O-CA 3.37Å; L254-K260 PolarHBondContact O-N 3.49Å; L254-V263 HydrophobicContact CB-CG2 4.09Å; L254-V263 HydrophobicContact CD2-CG1 4.38Å; L254-V263 HydrophobicContact CD2-CG2 3.47Å; L254-V263 VanDerWaalsContact CD2-CG2 3.47Å; L254-V263 HydrophobicContact CG-CG2 4.3Å |
| 255 | S | 91.2 | Very high | 89.3 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 67% | 0.671 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -82.9 | -9.2 | 179 | -61 | 0 | 0 | 0 | 0 | 113.8 | P252 I253 | P252-S255 PolarHBondContact O-N 2.85Å; I253-S255 PolarHBondContact O-N 3.09Å; I253-S255 VanDerWaalsContact O-N 3.14Å |
| 256 | T | 91.9 | Very high | 88.5 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -72.9 | 156.3 | -177.9 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | C202 Y233 I253 L254 S258 L259 K260 | C202-T256 HydrophobicContact CB-CG2 3.94Å; Y233-T256 WeakPolarHBondContact OH-CG2 3.37Å; I253-T256 HydrophobicContact CG2-CG2 4.3Å; I253-T256 WeakPolarHBondContact O-CB 3.18Å; I253-T256 WeakPolarHBondContact O-CG2 3.47Å; I253-T256 PolarHBondContact O-N 3.44Å; I253-T256 PolarHBondContact O-OG1 3.08Å; L254-T256 VanDerWaalsContact C-N 3.35Å; T256-S258 PolarHBondContact O-N 3.09Å; T256-S258 VanDerWaalsContact O-N 3.13Å; T256-L259 PolarHBondContact O-N 2.69Å; T256-L259 VanDerWaalsContact O-N 3.08Å; T256-K260 VanDerWaalsContact O-CB 3.24Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.65Å |
| 257 | R | 87.9 | Confident | 87.6 | Confident | 176 Ų | 176 | 56.2 Ų | 56.2 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.9 | 177.8 | -168.7 | -177.9 | -177.1 | -170.2 | 0.3 | 113.3 | K70 D199 | K70-R257 PolarHBondContact NZ-O 2.94Å; K70-R257 VanDerWaalsContact NZ-O 3.13Å; D199-R257 IonicContact OD1-NH1 3.58Å; D199-R257 IonicContact OD2-NH1 3.88Å |
| 258 | S | 85.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -41.9 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | T165 T256 | T165-S258 WeakPolarHBondContact OG1-CB 3.43Å; T165-S258 PolarHBondContact OG1-OG 3.2Å; T256-S258 PolarHBondContact O-N 3.09Å; T256-S258 VanDerWaalsContact O-N 3.13Å |
| 259 | L | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -21.5 | -171.9 | -76.2 | 83.3 | 0 | 0 | 0 | 115.8 | I72 F82 L83 V87 T165 I253 L254 T256 G261 L262 V263 | I72-L259 HydrophobicContact CD1-CD1 4.36Å; I72-L259 HydrophobicContact CD1-CG 4.37Å; F82-L259 HydrophobicContact CE1-CD2 4.16Å; L83-L259 HydrophobicContact CD2-CD2 4.16Å; V87-L259 HydrophobicContact CG2-CD2 3.78Å; T165-L259 HydrophobicContact CG2-CD1 4.38Å; I253-L259 HydrophobicContact CG2-CD1 3.7Å; I253-L259 HydrophobicContact CG2-CD2 4.23Å; L254-L259 HydrophobicContact CD2-CD2 4.29Å; T256-L259 PolarHBondContact O-N 2.69Å; T256-L259 VanDerWaalsContact O-N 3.08Å; L259-G261 PolarHBondContact O-N 3.13Å; L259-L262 PolarHBondContact O-N 3.13Å; L259-V263 HydrophobicContact CB-CG2 4.42Å; L259-V263 PolarHBondContact O-N 3.22Å |
| 260 | K | 85.6 | Confident | 85.7 | Confident | 159 Ų | 159 | 58.6 Ų | 58.6 | 69% | 0.691 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -31.7 | -171.3 | -176.3 | 176.8 | -179.9 | 179.4 | 0 | 115 | L254 T256 | L254-K260 WeakPolarHBondContact O-CA 3.37Å; L254-K260 PolarHBondContact O-N 3.49Å; T256-K260 VanDerWaalsContact O-CB 3.24Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.65Å |
| 261 | G | 84 | Confident | 85.1 | Confident | 75 Ų | 75 | 64 Ų | 64 | 77% | 0.773 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L259 | L259-G261 PolarHBondContact O-N 3.13Š|
| 262 | L | 86.1 | Confident | 84.5 | Confident | 20 Ų | 20 | 63 Ų | 63 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -25 | -176.7 | -55.3 | 178.1 | 0 | 0 | 0 | 112.4 | I72 V87 W93 L126 V132 L259 | I72-L262 HydrophobicContact CD1-CD1 3.57Å; V87-L262 HydrophobicContact CG1-CB 3.9Å; V87-L262 HydrophobicContact CG1-CD1 4.31Å; W93-L262 HydrophobicContact CH2-CD1 4.27Å; W93-L262 HydrophobicContact CH2-CD2 4.35Å; W93-L262 HydrophobicContact CZ2-CD1 4.41Å; W93-L262 HydrophobicContact CZ2-CD2 4.33Å; L126-L262 HydrophobicContact CD2-CD2 3.84Å; V132-L262 HydrophobicContact CG1-CD1 4.06Å; V132-L262 HydrophobicContact CG1-CD2 4.17Å; L259-L262 PolarHBondContact O-N 3.13Å |
| 263 | V | 82.9 | Confident | 84 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | trans | -75.8 | 128.6 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | L254 L259 I266 | L254-V263 HydrophobicContact CB-CG2 4.09Å; L254-V263 HydrophobicContact CD2-CG1 4.38Å; L254-V263 HydrophobicContact CD2-CG2 3.47Å; L254-V263 VanDerWaalsContact CD2-CG2 3.47Å; L254-V263 HydrophobicContact CG-CG2 4.3Å; L259-V263 HydrophobicContact CB-CG2 4.42Å; L259-V263 PolarHBondContact O-N 3.22Å; V263-I266 HydrophobicContact CG1-CG1 4.19Å | ||
| 264 | K | 71.4 | Confident | 83.5 | Confident | 122 Ų | 122 | 66 Ų | 66 | 53% | 0.53 | 35% | 0.346 | S | S | . | . | trans | -128 | 129 | 173.3 | -66.2 | -174.8 | -178.7 | 178.5 | 0 | 109.4 | ||||
| 265 | N | 73.2 | Confident | 83 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | trans | 52.9 | 88.1 | 172.7 | -154.6 | -17 | 0 | 0 | 0 | 115.6 | S267 Q268 S269 | N265-S267 VanDerWaalsContact C-N 3.34Å; N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 2.86Å; N265-Q268 HydrophobicContact CB-CB 4.38Å; N265-Q268 HydrophobicContact CB-CG 4.48Å; N265-Q268 PolarHBondContact ND2-NE2 2.85Å; N265-Q268 PolarHBondContact ND2-OE1 3.39Å; N265-Q268 PolarHBondContact O-N 3.13Å; N265-S269 PolarHBondContact O-N 3.15Å; N265-S269 PolarHBondContact O-OG 2.97Å | ||
| 266 | I | 76.3 | Confident | 82.4 | Confident | 99 Ų | 99 | 70 Ų | 70 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | -175.4 | -60.9 | 173.2 | 0 | 0 | 0 | 112.1 | F86 V263 S269 T270 | F86-I266 HydrophobicContact CE1-CG2 4.39Å; V263-I266 HydrophobicContact CG1-CG1 4.19Å; I266-S269 WeakPolarHBondContact O-CB 3.27Å; I266-S269 PolarHBondContact O-N 2.86Å; I266-T270 PolarHBondContact O-N 2.89Å |
| 267 | S | 75.5 | Confident | 81.9 | Confident | 75 Ų | 75 | 70 Ų | 70 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | N265 S269 T270 | N265-S267 VanDerWaalsContact C-N 3.34Å; N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 PolarHBondContact OD1-OG 2.86Å; S267-S269 VanDerWaalsContact C-N 3.27Å; S267-S269 PolarHBondContact O-N 3.21Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 PolarHBondContact O-OG1 3.38Å |
| 268 | Q | 80.7 | Confident | 81.3 | Confident | 100 Ų | 100 | 65 Ų | 65 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -32.5 | 173.5 | -70.2 | 178.1 | -21.2 | 0 | 0 | 112 | N265 T270 E271 I272 | N265-Q268 HydrophobicContact CB-CB 4.38Å; N265-Q268 HydrophobicContact CB-CG 4.48Å; N265-Q268 PolarHBondContact ND2-NE2 2.85Å; N265-Q268 PolarHBondContact ND2-OE1 3.39Å; N265-Q268 PolarHBondContact O-N 3.13Å; Q268-T270 PolarHBondContact O-N 3.29Å; Q268-E271 PolarHBondContact O-N 3.38Å; Q268-I272 WeakPolarHBondContact O-CG1 3.41Å; Q268-I272 PolarHBondContact O-N 3.41Å; Q268-I272 VanDerWaalsContact O-N 3.14Å |
| 269 | S | 82.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | -179.5 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | S85 N265 I266 S267 I272 L273 | S85-S269 VanDerWaalsContact O-CB 3.25Å; S85-S269 WeakPolarHBondContact O-CB 3.04Å; S85-S269 PolarHBondContact O-OG 3.32Å; N265-S269 PolarHBondContact O-N 3.15Å; N265-S269 PolarHBondContact O-OG 2.97Å; I266-S269 WeakPolarHBondContact O-CB 3.27Å; I266-S269 PolarHBondContact O-N 2.86Å; S267-S269 VanDerWaalsContact C-N 3.27Å; S267-S269 PolarHBondContact O-N 3.21Å; S269-I272 PolarHBondContact O-N 3.25Å; S269-L273 WeakPolarHBondContact O-CB 3.45Å; S269-L273 PolarHBondContact O-N 3.04Å |
| 270 | T | 82.1 | Confident | 79.4 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | F86 I266 S267 Q268 L273 K274 | F86-T270 HydrophobicContact CE1-CG2 4.1Å; F86-T270 HydrophobicContact CZ-CG2 4.14Å; I266-T270 PolarHBondContact O-N 2.89Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 PolarHBondContact O-OG1 3.38Å; Q268-T270 PolarHBondContact O-N 3.29Å; T270-L273 PolarHBondContact O-N 3.09Å; T270-K274 WeakPolarHBondContact O-CG 3.43Å; T270-K274 PolarHBondContact O-N 3.48Å |
| 271 | E | 83.1 | Confident | 78.2 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 173.1 | -69.5 | 179.1 | -173.3 | 0 | 0 | 112.2 | Q268 L273 K274 K275 | Q268-E271 PolarHBondContact O-N 3.38Å; E271-L273 VanDerWaalsContact C-N 3.35Å; E271-K274 PolarHBondContact O-N 2.76Å; E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 2.79Å |
| 272 | I | 83.4 | Confident | 77 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 177.9 | -70.7 | 164.8 | 0 | 0 | 0 | 111 | N89 Q268 S269 K274 K275 L276 | N89-I272 HydrophobicContact CB-CD1 4.15Å; N89-I272 WeakPolarHBondContact ND2-CD1 3.36Å; N89-I272 WeakPolarHBondContact OD1-CD1 3.14Å; Q268-I272 WeakPolarHBondContact O-CG1 3.41Å; Q268-I272 PolarHBondContact O-N 3.41Å; Q268-I272 VanDerWaalsContact O-N 3.14Å; S269-I272 PolarHBondContact O-N 3.25Å; I272-K274 VanDerWaalsContact C-N 3.32Å; I272-K274 PolarHBondContact O-N 3.06Å; I272-K275 PolarHBondContact O-N 3.01Å; I272-L276 HydrophobicContact CG2-CD1 4.23Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 3.44Å |
| 273 | L | 84.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 173.2 | -177.6 | 56.2 | 0 | 0 | 0 | 111.1 | A81 S85 F86 L244 V247 E248 S269 T270 E271 K275 L276 M277 | A81-L273 HydrophobicContact CB-CD1 4.39Å; S85-L273 WeakPolarHBondContact OG-CA 3.44Å; S85-L273 WeakPolarHBondContact OG-CB 3.06Å; F86-L273 HydrophobicContact CE2-CD2 3.94Å; F86-L273 HydrophobicContact CZ-CD2 4.28Å; L244-L273 HydrophobicContact CD1-CD2 3.37Å; L244-L273 HydrophobicContact CD1-CG 3.66Å; V247-L273 HydrophobicContact CB-CD1 4.26Å; V247-L273 HydrophobicContact CB-CD2 4.06Å; V247-L273 HydrophobicContact CG1-CD1 3.69Å; V247-L273 HydrophobicContact CG1-CD2 3.44Å; V247-L273 VanDerWaalsContact CG1-CD2 3.44Å; V247-L273 HydrophobicContact CG1-CG 4.22Å; V247-L273 HydrophobicContact CG2-CD1 4.32Å; E248-L273 HydrophobicContact CG-CD2 4.49Å; S269-L273 WeakPolarHBondContact O-CB 3.45Å; S269-L273 PolarHBondContact O-N 3.04Å; T270-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact C-N 3.35Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å; L273-L276 PolarHBondContact O-N 3.31Å; L273-M277 HydrophobicContact CD1-CE 3.55Å; L273-M277 HydrophobicContact CG-CE 4.33Å; L273-M277 VanDerWaalsContact O-CG 3.27Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.14Å |
| 274 | K | 84.3 | Confident | 74 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 55% | 0.548 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 175.3 | -71.7 | 177 | -178.8 | -175.3 | 0 | 112.2 | T270 E271 I272 M277 T278 | T270-K274 WeakPolarHBondContact O-CG 3.43Å; T270-K274 PolarHBondContact O-N 3.48Å; E271-K274 PolarHBondContact O-N 2.76Å; I272-K274 VanDerWaalsContact C-N 3.32Å; I272-K274 PolarHBondContact O-N 3.06Å; K274-M277 PolarHBondContact O-N 3.12Å; K274-T278 PolarHBondContact O-N 2.88Å; K274-T278 PolarHBondContact O-OG1 2.99Å |
| 275 | K | 83 | Confident | 72.8 | Confident | 133 Ų | 133 | 77 Ų | 77 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 175.6 | -71.4 | 176.2 | -175.9 | 177.1 | 0 | 111.9 | E271 I272 L273 M277 T278 T279 | E271-K275 WeakPolarHBondContact O-CG 3.32Å; E271-K275 PolarHBondContact O-N 2.79Å; I272-K275 PolarHBondContact O-N 3.01Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.27Å; K275-M277 VanDerWaalsContact C-N 3.28Å; K275-M277 PolarHBondContact O-N 3.32Å; K275-T278 WeakPolarHBondContact CA-OG1 3.35Å; K275-T278 PolarHBondContact O-N 3.35Å; K275-T278 PolarHBondContact O-OG1 3.24Å; K275-T279 PolarHBondContact O-N 3.01Å; K275-T279 VanDerWaalsContact O-N 3.08Å; K275-T279 PolarHBondContact O-OG1 3.07Å; K275-T279 VanDerWaalsContact O-OG1 3.07Å |
| 276 | L | 78.4 | Confident | 71.9 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 34% | 0.335 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 176.9 | -71 | 174.2 | 0 | 0 | 0 | 112.3 | S85 I272 L273 N280 | S85-L276 WeakPolarHBondContact OG-CD1 3.41Å; I272-L276 HydrophobicContact CG2-CD1 4.23Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.47Å; I272-L276 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 3.31Å; L276-N280 PolarHBondContact O-N 3.49Å; L276-N280 PolarHBondContact O-ND2 3.36Å |
| 277 | M | 79.9 | Confident | 70.4 | Confident | 17 Ų | 17 | 86.7 Ų | 86.7 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 175.3 | -65.2 | -67.1 | 165.1 | 0 | 0 | 111.3 | L242 V247 L273 K274 K275 T279 N280 E281 | L242-M277 HydrophobicContact CD1-CE 3.55Å; L242-M277 HydrophobicContact CD1-SD 4.29Å; L242-M277 HydrophobicContact CD2-CE 4.09Å; L242-M277 HydrophobicContact CD2-SD 3.88Å; L242-M277 HydrophobicContact CG-CE 3.58Å; L242-M277 HydrophobicContact CG-SD 3.62Å; V247-M277 HydrophobicContact CB-CE 4.44Å; V247-M277 HydrophobicContact CG2-CE 3.71Å; L273-M277 HydrophobicContact CD1-CE 3.55Å; L273-M277 HydrophobicContact CG-CE 4.33Å; L273-M277 VanDerWaalsContact O-CG 3.27Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 3.14Å; K274-M277 PolarHBondContact O-N 3.12Å; K275-M277 VanDerWaalsContact C-N 3.28Å; K275-M277 PolarHBondContact O-N 3.32Å; M277-T279 VanDerWaalsContact C-N 3.28Å; M277-T279 PolarHBondContact O-N 3.25Å; M277-N280 PolarHBondContact O-N 2.73Å; M277-N280 VanDerWaalsContact O-N 3.09Å; M277-E281 PolarHBondContact O-N 3.22Å |
| 278 | T | 75.2 | Confident | 68.9 | Low | 71 Ų | 71 | 91.2 Ų | 91.2 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | K274 K275 I282 | K274-T278 PolarHBondContact O-N 2.88Å; K274-T278 PolarHBondContact O-OG1 2.99Å; K275-T278 WeakPolarHBondContact CA-OG1 3.35Å; K275-T278 PolarHBondContact O-N 3.35Å; K275-T278 PolarHBondContact O-OG1 3.24Å; T278-I282 WeakPolarHBondContact O-CD1 3.37Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.37Å; T278-I282 PolarHBondContact O-N 3.41Å |
| 279 | T | 71.3 | Confident | 68.3 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 176.3 | -50.6 | 0 | 0 | 0 | 0 | 112 | K275 M277 Q283 | K275-T279 PolarHBondContact O-N 3.01Å; K275-T279 VanDerWaalsContact O-N 3.08Å; K275-T279 PolarHBondContact O-OG1 3.07Å; K275-T279 VanDerWaalsContact O-OG1 3.07Å; M277-T279 VanDerWaalsContact C-N 3.28Å; M277-T279 PolarHBondContact O-N 3.25Å; T279-Q283 WeakPolarHBondContact O-CG 3.26Å; T279-Q283 PolarHBondContact O-N 2.75Å |
| 280 | N | 65.3 | Low | 67.5 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | 177.2 | -77.9 | -68.3 | 0 | 0 | 0 | 112.4 | L242 L276 M277 Q283 S284 | L242-N280 HydrophobicContact CD2-CB 4.3Å; L242-N280 WeakPolarHBondContact CD2-ND2 3.29Å; L276-N280 PolarHBondContact O-N 3.49Å; L276-N280 PolarHBondContact O-ND2 3.36Å; M277-N280 PolarHBondContact O-N 2.73Å; M277-N280 VanDerWaalsContact O-N 3.09Å; N280-Q283 PolarHBondContact O-N 3.42Å; N280-S284 WeakPolarHBondContact O-CB 3.5Å; N280-S284 PolarHBondContact O-N 3.38Å; N280-S284 VanDerWaalsContact O-N 3.12Å; N280-S284 PolarHBondContact O-OG 3Å |
| 281 | E | 59.6 | Low | 66.7 | Low | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 177.4 | -73.3 | 175.7 | 175.7 | 0 | 0 | 112.2 | M277 Q283 S284 | M277-E281 PolarHBondContact O-N 3.22Å; E281-Q283 PolarHBondContact O-N 3.06Å; E281-S284 PolarHBondContact O-N 3.1Å; E281-S284 VanDerWaalsContact O-N 3.14Å |
| 282 | I | 59.5 | Low | 65.8 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 61% | 0.605 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -36 | 176.4 | -66.7 | 163.8 | 0 | 0 | 0 | 111.1 | T278 | T278-I282 WeakPolarHBondContact O-CD1 3.37Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.37Å; T278-I282 PolarHBondContact O-N 3.41Å |
| 283 | Q | 52.1 | Low | 64.7 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 38% | 0.379 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.4 | -17.2 | 179.6 | -68.2 | 176.1 | -22.2 | 0 | 0 | 113.7 | T112 T279 N280 E281 | T112-Q283 PolarHBondContact O-NE2 3.36Å; T279-Q283 WeakPolarHBondContact O-CG 3.26Å; T279-Q283 PolarHBondContact O-N 2.75Å; N280-Q283 PolarHBondContact O-N 3.42Å; E281-Q283 PolarHBondContact O-N 3.06Å |
| 284 | S | 52.9 | Low | 63.3 | Low | 91 Ų | 91 | 108.1 Ų | 108.1 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 0.8 | -176.3 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | N280 E281 | N280-S284 WeakPolarHBondContact O-CB 3.5Å; N280-S284 PolarHBondContact O-N 3.38Å; N280-S284 VanDerWaalsContact O-N 3.12Å; N280-S284 PolarHBondContact O-OG 3Å; E281-S284 PolarHBondContact O-N 3.1Å; E281-S284 VanDerWaalsContact O-N 3.14Å |
| 285 | N | 47.4 | Very low | 61.8 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | trans | -84.8 | 119.9 | -178.4 | -87.6 | -29.5 | 0 | 0 | 0 | 111.4 | Y287 | N285-Y287 PolarHBondContact O-N 3.14Å; N285-Y287 VanDerWaalsContact O-N 3.14Å | ||
| 286 | I | 53.3 | Low | 60.2 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 81% | 0.81 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -6.1 | 178.9 | -54.8 | 171.9 | 0 | 0 | 0 | 112.2 | ||
| 287 | Y | 44.3 | Very low | 58.7 | Low | 224 Ų | 224 | 108.3 Ų | 108.3 | 88% | 0.878 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 17.7 | -174.8 | -65.3 | -75.1 | 0 | 0 | 0 | 114.2 | N285 | N285-Y287 PolarHBondContact O-N 3.14Å; N285-Y287 VanDerWaalsContact O-N 3.14Å |
| 288 | T | 43.6 | Very low | 56.8 | Low | 169 Ų | 169 | 116.5 Ų | 116.5 | 100% | 1.037 | 61% | 0.612 | S | S | * | * | trans | -122.3 | 0 | 174.7 | -38.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 288 of 288 residues in 170.3 ms
(Link to these results)