| 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 | 64.7 | Low | 91.6 | Very high | 244 Ų | 244 | 121 Ų | 121 | 100% | 1.202 | 64% | 0.636 | S | S | * | * | 0 | 121.8 | 0 | -75.1 | 178 | -176.9 | 0 | 0 | 110.3 | |||||
| 2 | T | 89.4 | Confident | 91.9 | Very high | 144 Ų | 144 | 127.8 Ų | 127.8 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 140.2 | 173.9 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 3 | N | 90.7 | Very high | 92.2 | Very high | 110 Ų | 110 | 132.2 Ų | 132.2 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 156 | 177.1 | -69.9 | -56.5 | 0 | 0 | 0 | 113.2 | R9 | N3-R9 VanDerWaalsContact CB-NH2 3.29Å; N3-R9 VanDerWaalsContact CG-CZ 3.41Å; N3-R9 PolarHBondContact ND2-NH2 3.37Å; N3-R9 PolarHBondContact OD1-NH2 3.01Å; N3-R9 VanDerWaalsContact OD1-NH2 3.13Å |
| 4 | T | 94.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 127.4 Ų | 127.4 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147.9 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | R9 | T4-R9 WeakPolarHBondContact O-CD 3.45Š|
| 5 | K | 94.1 | Very high | 92.7 | Very high | 211 Ų | 211 | 119.5 Ų | 119.5 | 92% | 0.917 | 59% | 0.591 | S | S | * | * | trans | -100.7 | 22.1 | -176.8 | -63.2 | 179.8 | -177.7 | 172.9 | 0 | 113.4 | ||||
| 6 | G | 95.7 | Very high | 92.8 | Very high | 41 Ų | 41 | 116.1 Ų | 116.1 | 42% | 0.423 | 58% | 0.582 | S | S | . | * | trans | -63.5 | 144.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R8 R9 | G6-R8 PolarHBondContact O-N 3.43Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.29Å; G6-R9 VanDerWaalsContact O-N 3.1Å | ||
| 7 | Y | 95.4 | Very high | 92.9 | Very high | 175 Ų | 175 | 112.1 Ų | 112.1 | 69% | 0.686 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -34.5 | -175.1 | -135.4 | -92.4 | 0 | 0 | 0 | 113.6 | H54 | Y7-H54 AromaticContact CD1-CD2 3.63Å; Y7-H54 HydrophobicContact CE1-CB 3.83Å; Y7-H54 AromaticContact CE1-CD2 3.63Å; Y7-H54 PolarHBondContact O-CD2 3.32Å |
| 8 | R | 95.1 | Very high | 93 | Very high | 115 Ų | 115 | 113.7 Ų | 113.7 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.8 | 16.7 | -179.2 | -63.6 | -173 | 76.3 | 175.5 | 4.9 | 113.6 | G6 G10 T11 | G6-R8 PolarHBondContact O-N 3.43Å; R8-G10 PolarHBondContact O-N 2.98Å; R8-T11 WeakPolarHBondContact O-CB 3.45Å; R8-T11 WeakPolarHBondContact O-CG2 3.38Å; R8-T11 PolarHBondContact O-N 3.36Å; R8-T11 PolarHBondContact O-OG1 3.49Å |
| 9 | R | 96 | Very high | 93.2 | Very high | 100 Ų | 100 | 116.2 Ų | 116.2 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.9 | 131 | 177.3 | 178.2 | -175.6 | 163.3 | -132 | -9.5 | 110.6 | N3 T4 G6 K55 | N3-R9 VanDerWaalsContact CB-NH2 3.29Å; N3-R9 VanDerWaalsContact CG-CZ 3.41Å; N3-R9 PolarHBondContact ND2-NH2 3.37Å; N3-R9 PolarHBondContact OD1-NH2 3.01Å; N3-R9 VanDerWaalsContact OD1-NH2 3.13Å; T4-R9 WeakPolarHBondContact O-CD 3.45Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.29Å; G6-R9 VanDerWaalsContact O-N 3.1Å; R9-K55 PolarHBondContact O-NZ 3.38Å |
| 10 | G | 95.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.2 | 29.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R8 | R8-G10 PolarHBondContact O-N 2.98Š|
| 11 | T | 96.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 120.6 Ų | 120.6 | 7% | 0.074 | 58% | 0.578 | C | S | . | * | trans | -109.6 | 13.8 | -178.7 | 64.3 | 0 | 0 | 0 | 0 | 114.3 | R8 Y13 L14 F15 K55 | R8-T11 WeakPolarHBondContact O-CB 3.45Å; R8-T11 WeakPolarHBondContact O-CG2 3.38Å; R8-T11 PolarHBondContact O-N 3.36Å; R8-T11 PolarHBondContact O-OG1 3.49Å; T11-Y13 PolarHBondContact O-N 3.16Å; T11-L14 HydrophobicContact CG2-CD2 4.18Å; T11-L14 PolarHBondContact O-N 3.07Å; T11-L14 VanDerWaalsContact O-N 3.16Å; T11-F15 VanDerWaalsContact CB-CD2 3.43Å; T11-F15 HydrophobicContact CG2-CD2 3.87Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.44Å; T11-F15 PolarHBondContact O-N 3.41Å; T11-F15 VanDerWaalsContact O-N 3.12Å; T11-K55 HydrophobicContact CG2-CB 3.77Å; T11-K55 HydrophobicContact CG2-CD 3.89Å; T11-K55 HydrophobicContact CG2-CG 4.36Å | ||
| 12 | R | 94.9 | Very high | 94.7 | Very high | 203 Ų | 203 | 115.2 Ų | 115.2 | 77% | 0.766 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -53 | -177.8 | -179.1 | -176.5 | -85.5 | 179.4 | -5.8 | 112.2 | S16 | R12-S16 WeakPolarHBondContact O-CB 3.47Š|
| 13 | Y | 96.3 | Very high | 94.9 | Very high | 184 Ų | 184 | 111 Ų | 111 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -18 | 179.1 | -53 | -68.1 | 0 | 0 | 0 | 113.7 | T11 S16 | T11-Y13 PolarHBondContact O-N 3.16Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-OG 2.95Å |
| 14 | L | 95.7 | Very high | 95 | Very high | 65 Ų | 65 | 111.7 Ų | 111.7 | 34% | 0.34 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -39.6 | -175.6 | -171.2 | 72.2 | 0 | 0 | 0 | 112 | T11 K55 H58 | T11-L14 HydrophobicContact CG2-CD2 4.18Å; T11-L14 PolarHBondContact O-N 3.07Å; T11-L14 VanDerWaalsContact O-N 3.16Å; L14-K55 HydrophobicContact CD2-CB 3.67Å; L14-H58 HydrophobicContact CD1-CB 4.27Å; L14-H58 HydrophobicContact CD2-CB 4.05Å; L14-H58 HydrophobicContact CG-CB 4.3Å; L14-H58 PolarHBondContact O-CE1 3.22Å |
| 15 | F | 96 | Very high | 94.9 | Very high | 9 Ų | 9 | 108.1 Ų | 108.1 | 4% | 0.039 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -106.3 | 6.7 | 179.6 | -62.4 | -39.2 | 0 | 0 | 0 | 112.8 | T11 G46 M52 P53 K55 H58 | T11-F15 VanDerWaalsContact CB-CD2 3.43Å; T11-F15 HydrophobicContact CG2-CD2 3.87Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.44Å; T11-F15 PolarHBondContact O-N 3.41Å; T11-F15 VanDerWaalsContact O-N 3.12Å; F15-G46 WeakPolarHBondContact O-CA 3.44Å; F15-G46 PolarHBondContact O-N 3.5Å; F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.93Å; F15-M52 HydrophobicContact CE2-SD 4Å; F15-M52 HydrophobicContact CG-CE 4.49Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.45Å; F15-M52 HydrophobicContact CZ-SD 4.3Å; F15-P53 WeakPolarHBondContact CZ-O 3.38Å; F15-K55 HydrophobicContact CZ-CB 4.27Å; F15-H58 AromaticContact CD1-ND1 3.93Å; F15-H58 AromaticContact CE1-ND1 3.69Å |
| 16 | S | 95 | Very high | 95 | Very high | 65 Ų | 65 | 101.6 Ų | 101.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 144.3 | 173.8 | 55 | 0 | 0 | 0 | 0 | 110.8 | R12 Y13 | R12-S16 WeakPolarHBondContact O-CB 3.47Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-OG 2.95Å |
| 17 | R | 93.9 | Very high | 95 | Very high | 49 Ų | 49 | 103.5 Ų | 103.5 | 19% | 0.185 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.7 | 166.4 | -62.7 | -88.5 | -84.7 | 150.5 | -0.2 | 108.7 | H21 H22 G23 D45 | R17-H21 PolarHBondContact NE-O 2.99Å; R17-H21 PolarHBondContact NH1-O 3.49Å; R17-H21 PolarHBondContact NH2-O 3.03Å; R17-H22 VanDerWaalsContact NH2-C 3.32Å; R17-G23 PolarHBondContact NH2-O 3.03Å; R17-D45 WeakPolarHBondContact CD-OD1 3.5Å; R17-D45 IonicContact NE-OD1 3.98Å; R17-D45 IonicContact NH1-OD2 3.26Å; R17-D45 PolarHBondContact NH1-OD2 3.31Å |
| 18 | K | 95.2 | Very high | 95 | Very high | 140 Ų | 140 | 98 Ų | 98 | 61% | 0.609 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 154 | 175.4 | -67.6 | -177.7 | 173.7 | -168.9 | 0 | 110 | R20 H21 | K18-R20 PolarHBondContact O-N 2.98Å; K18-H21 HydrophobicContact CB-CB 4.1Å; K18-H21 PolarHBondContact O-N 3Å |
| 19 | F | 96.2 | Very high | 95 | Very high | 161 Ų | 161 | 93.5 Ų | 93.5 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.6 | 174 | -177.5 | -115.6 | 0 | 0 | 0 | 111.3 | H21 | F19-H21 PolarHBondContact O-CD2 3.39Å; F19-H21 PolarHBondContact O-N 3.09Å |
| 20 | R | 95.3 | Very high | 94.9 | Very high | 209 Ų | 209 | 94 Ų | 94 | 79% | 0.789 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 20.1 | -176.2 | -63.4 | 178.8 | -178.5 | 175.7 | 1.6 | 115.4 | K18 | K18-R20 PolarHBondContact O-N 2.98Š|
| 21 | H | 94.1 | Very high | 95 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | trans | -124 | 42.8 | 172.2 | -65 | -74.1 | 0 | 0 | 0 | 110.3 | R17 K18 F19 | R17-H21 PolarHBondContact NE-O 2.99Å; R17-H21 PolarHBondContact NH1-O 3.49Å; R17-H21 PolarHBondContact NH2-O 3.03Å; K18-H21 HydrophobicContact CB-CB 4.1Å; K18-H21 PolarHBondContact O-N 3Å; F19-H21 PolarHBondContact O-CD2 3.39Å; F19-H21 PolarHBondContact O-N 3.09Å | ||
| 22 | H | 93.8 | Very high | 94.9 | Very high | 132 Ų | 132 | 101 Ų | 101 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | trans | -89.4 | 170.5 | 171.7 | -65.7 | -97.7 | 0 | 0 | 0 | 110.4 | R17 | R17-H22 VanDerWaalsContact NH2-C 3.32Š| ||
| 23 | G | 93.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 96.8 Ų | 96.8 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 92.9 | -154.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R17 | R17-G23 PolarHBondContact NH2-O 3.03Š|
| 24 | P | 93.4 | Very high | 94.9 | Very high | 125 Ų | 125 | 88.9 Ų | 88.9 | 81% | 0.812 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -66.2 | 154.8 | -176.1 | 26.3 | -32.9 | 0 | 0 | 0 | 112.6 | ||
| 25 | L | 92.9 | Very high | 95 | Very high | 29 Ų | 29 | 94.3 Ų | 94.3 | 15% | 0.152 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 146.6 | 171.4 | -74.3 | 166.8 | 0 | 0 | 0 | 110 | Y30 D45 V48 E94 | L25-Y30 HydrophobicContact CB-CE2 3.93Å; L25-D45 WeakPolarHBondContact CD2-OD2 3.46Å; L25-V48 HydrophobicContact CD1-CG2 3.89Å; L25-E94 HydrophobicContact CD1-CB 3.83Å; L25-E94 HydrophobicContact CD1-CG 3.76Å |
| 26 | P | 95 | Very high | 95 | Very high | 75 Ų | 75 | 103.5 Ų | 103.5 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.6 | 174.9 | 26 | -31.3 | 0 | 0 | 0 | 110.5 | S28 V29 | P26-S28 PolarHBondContact O-N 3.04Å; P26-S28 VanDerWaalsContact O-N 3.07Å; P26-V29 HydrophobicContact CG-CG2 4.02Å; P26-V29 WeakPolarHBondContact O-CB 3.37Å; P26-V29 PolarHBondContact O-N 3.33Å |
| 27 | S | 95.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 102.4 Ų | 102.4 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.3 | -29.3 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | V29 Y30 M31 | S27-V29 PolarHBondContact O-N 3.21Å; S27-V29 VanDerWaalsContact O-N 3.1Å; S27-Y30 PolarHBondContact O-N 2.92Å; S27-M31 PolarHBondContact O-N 2.96Å; S27-M31 VanDerWaalsContact O-N 3.14Å |
| 28 | S | 95.2 | Very high | 95.2 | Very high | 60 Ų | 60 | 103 Ų | 103 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -15.9 | 176 | 67.8 | 0 | 0 | 0 | 0 | 114.7 | P26 R32 | P26-S28 PolarHBondContact O-N 3.04Å; P26-S28 VanDerWaalsContact O-N 3.07Å; S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 VanDerWaalsContact O-CG 3.25Å; S28-R32 WeakPolarHBondContact O-CG 3.1Å; S28-R32 PolarHBondContact O-NE 3Å; S28-R32 VanDerWaalsContact O-NE 3.1Å |
| 29 | V | 95.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 98.1 Ų | 98.1 | 12% | 0.121 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -76.6 | -42.9 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | P26 S27 I93 E94 | P26-V29 HydrophobicContact CG-CG2 4.02Å; P26-V29 WeakPolarHBondContact O-CB 3.37Å; P26-V29 PolarHBondContact O-N 3.33Å; S27-V29 PolarHBondContact O-N 3.21Å; S27-V29 VanDerWaalsContact O-N 3.1Å; V29-I93 VanDerWaalsContact O-CG2 3.3Å; V29-I93 WeakPolarHBondContact O-CG2 3.44Å; V29-E94 HydrophobicContact CG1-CB 4.43Å; V29-E94 HydrophobicContact CG1-CG 4.42Å |
| 30 | Y | 95.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 90.5 Ų | 90.5 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.3 | -33.8 | -176.9 | -58.8 | -74.8 | 0 | 0 | 0 | 112.8 | L25 S27 R32 E94 | L25-Y30 HydrophobicContact CB-CE2 3.93Å; S27-Y30 PolarHBondContact O-N 2.92Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.23Å; Y30-E94 HydrophobicContact CD1-CG 4.32Å; Y30-E94 HydrophobicContact CE1-CG 3.62Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.45Å |
| 31 | M | 95.6 | Very high | 95.5 | Very high | 138 Ų | 138 | 82.9 Ų | 82.9 | 68% | 0.68 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.4 | -177.7 | -61.4 | -170.2 | -66 | 0 | 0 | 114.1 | S27 V33 | S27-M31 PolarHBondContact O-N 2.96Å; S27-M31 VanDerWaalsContact O-N 3.14Å; M31-V33 PolarHBondContact O-N 3.47Å |
| 32 | R | 94.7 | Very high | 95.6 | Very high | 95 Ų | 95 | 77.4 Ų | 77.4 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | trans | -69.7 | 124.9 | 178 | -82.9 | 162 | -171.3 | -137.3 | -9 | 110.8 | S28 Y30 Y34 | S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 VanDerWaalsContact O-CG 3.25Å; S28-R32 WeakPolarHBondContact O-CG 3.1Å; S28-R32 PolarHBondContact O-NE 3Å; S28-R32 VanDerWaalsContact O-NE 3.1Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.23Å; R32-Y34 HydrophobicContact CB-CD2 4.42Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; R32-Y34 WeakPolarHBondContact O-CD2 3.44Å | ||
| 33 | V | 95.7 | Very high | 95.8 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 70% | 0.697 | 40% | 0.402 | S | S | * | . | trans | -83.6 | 125.9 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | M31 R35 | M31-V33 PolarHBondContact O-N 3.47Å; V33-R35 HydrophobicContact CG1-CG 4.41Å | ||
| 34 | Y | 96.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | trans | -115.2 | 133.8 | 171.8 | -65.3 | -82.7 | 0 | 0 | 0 | 109.5 | R32 V40 V72 I93 V96 | R32-Y34 HydrophobicContact CB-CD2 4.42Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; R32-Y34 WeakPolarHBondContact O-CD2 3.44Å; Y34-V40 HydrophobicContact CD1-CG1 3.69Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; Y34-V72 HydrophobicContact CD2-CG2 4.07Å; Y34-V72 HydrophobicContact CG-CG2 4.16Å; Y34-I93 HydrophobicContact CE2-CG2 3.84Å; Y34-V96 HydrophobicContact CD1-CG1 4.46Å; Y34-V96 HydrophobicContact CE1-CG1 3.77Å; Y34-V96 PolarHBondContact OH-O 3.48Å | ||
| 35 | R | 96.4 | Very high | 95.9 | Very high | 179 Ų | 179 | 68.9 Ų | 68.9 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | trans | -114.5 | 158.6 | 177 | -59.3 | 179 | -173.4 | -177.6 | 1.6 | 110.1 | V33 G37 D38 V64 | V33-R35 HydrophobicContact CG1-CG 4.41Å; R35-G37 PolarHBondContact O-N 3.15Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.37Å; R35-D38 PolarHBondContact O-N 3.21Å; R35-V64 WeakPolarHBondContact O-CB 3.36Å | ||
| 36 | R | 97.3 | Very high | 96 | Very high | 202 Ų | 202 | 68.5 Ų | 68.5 | 76% | 0.762 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 132.4 | 171.9 | -73.2 | -173.9 | -72.4 | -180 | -3.2 | 109.5 | Y65 V67 | R36-Y65 WeakPolarHBondContact CD-O 3.28Å; R36-V67 HydrophobicContact CG-CG2 4.48Å |
| 37 | G | 96.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -11.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R35 V64 | R35-G37 PolarHBondContact O-N 3.15Å; G37-V64 PolarHBondContact N-O 3.23Å |
| 38 | D | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 33% | 0.326 | 33% | 0.333 | S | S | . | . | trans | -63.1 | 145.3 | 177.4 | -72.3 | -15.1 | 0 | 0 | 0 | 111.5 | R35 R63 V64 | R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.37Å; R35-D38 PolarHBondContact O-N 3.21Å; D38-R63 WeakPolarHBondContact O-CA 3.27Å; D38-V64 HydrophobicContact CB-CG2 4.25Å; D38-V64 PolarHBondContact O-N 2.79Å | ||
| 39 | I | 97.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 69.1 Ų | 69.1 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.9 | 175.8 | -58.7 | -177.3 | 0 | 0 | 0 | 108.4 | T61 G62 R63 S99 R102 | I39-T61 HydrophobicContact CG2-CG2 3.36Å; I39-G62 WeakPolarHBondContact CA-O 3.5Å; I39-R63 HydrophobicContact CG1-CG 4.13Å; I39-S99 PolarHBondContact O-N 3.5Å; I39-R102 HydrophobicContact CB-CB 4.42Å; I39-R102 HydrophobicContact CD1-CB 4.24Å; I39-R102 HydrophobicContact CD1-CG 4.31Å |
| 40 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.2 | -173.4 | -63.5 | 0 | 0 | 0 | 0 | 112 | Y34 T61 G62 V64 I74 V96 K97 | Y34-V40 HydrophobicContact CD1-CG1 3.69Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.27Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; V40-G62 PolarHBondContact N-O 2.72Å; V40-G62 PolarHBondContact O-N 2.93Å; V40-V64 HydrophobicContact CG1-CG2 3.78Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V40-I74 HydrophobicContact CG2-CD1 3.65Å; V40-I74 HydrophobicContact CG2-CG1 3.87Å; V40-I74 HydrophobicContact CG2-CG2 3.91Å; V40-V96 HydrophobicContact CB-CG1 3.51Å; V40-V96 HydrophobicContact CG1-CG1 3.79Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; V40-K97 CarbonylContact C-O 3.55Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CB-O 3.49Å |
| 41 | D | 97.6 | Very high | 96 | Very high | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.9 | 174.6 | -61.3 | -39.4 | 0 | 0 | 0 | 109.8 | T61 K97 S99 | D41-T61 WeakPolarHBondContact OD1-CB 3.46Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T61 PolarHBondContact OD1-OG1 3.34Å; D41-K97 PolarHBondContact N-O 3.39Å; D41-K97 PolarHBondContact O-N 3.1Å; D41-S99 PolarHBondContact OD1-OG 3.24Å; D41-S99 WeakPolarHBondContact OD2-CA 3.33Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 3.25Å |
| 42 | I | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.5 | -177.7 | -62.1 | 158 | 0 | 0 | 0 | 109.2 | P53 Y57 G59 R60 I74 V76 I89 | I42-P53 HydrophobicContact CG2-CB 3.74Å; I42-P53 HydrophobicContact CG2-CG 3.59Å; I42-Y57 WeakPolarHBondContact CB-O 3.46Å; I42-Y57 WeakPolarHBondContact CG2-O 3.3Å; I42-G59 PolarHBondContact O-N 3.36Å; I42-R60 WeakPolarHBondContact CB-O 3.45Å; I42-R60 PolarHBondContact N-O 3.31Å; I42-I74 HydrophobicContact CD1-CD1 4.19Å; I42-I74 HydrophobicContact CD1-CG2 4.34Å; I42-I74 HydrophobicContact CG1-CD1 3.88Å; I42-V76 HydrophobicContact CD1-CG2 3.39Å; I42-I89 HydrophobicContact CD1-CD1 3.68Å |
| 43 | K | 96.6 | Very high | 96.2 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | trans | -138.2 | 101.6 | 174.4 | -177.4 | 162.6 | -174.4 | 150.7 | 0 | 109.5 | D45 H95 | K43-D45 PolarHBondContact O-N 2.93Å; K43-H95 CarbonylContact C-O 3.55Å; K43-H95 PolarHBondContact N-O 2.79Å; K43-H95 CarbonylContact O-C 3.5Å; K43-H95 VanDerWaalsContact O-CA 3.25Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å | ||
| 44 | G | 95.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | trans | -59.9 | 133.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H58 | G44-H58 PolarHBondContact N-ND1 3.44Š| ||
| 45 | D | 94.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | trans | -110.2 | 122.6 | 175.7 | -171.2 | -48.7 | 0 | 0 | 0 | 108.1 | R17 L25 K43 G47 V48 M52 H95 | R17-D45 WeakPolarHBondContact CD-OD1 3.5Å; R17-D45 IonicContact NE-OD1 3.98Å; R17-D45 IonicContact NH1-OD2 3.26Å; R17-D45 PolarHBondContact NH1-OD2 3.31Å; L25-D45 WeakPolarHBondContact CD2-OD2 3.46Å; K43-D45 PolarHBondContact O-N 2.93Å; D45-G47 PolarHBondContact O-N 3.41Å; D45-G47 PolarHBondContact OD1-N 2.91Å; D45-V48 PolarHBondContact O-N 3.48Å; D45-V48 VanDerWaalsContact O-O 3.06Å; D45-M52 WeakPolarHBondContact O-CE 3.15Å; D45-H95 PolarHBondContact N-ND1 2.95Å; D45-H95 PolarHBondContact O-CE1 2.92Å | ||
| 46 | G | 94.2 | Very high | 96.2 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F15 V48 | F15-G46 WeakPolarHBondContact O-CA 3.44Å; F15-G46 PolarHBondContact O-N 3.5Å; G46-V48 VanDerWaalsContact C-N 3.28Å; G46-V48 PolarHBondContact O-N 2.97Å |
| 47 | G | 93.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -22.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D45 | D45-G47 PolarHBondContact O-N 3.41Å; D45-G47 PolarHBondContact OD1-N 2.91Å |
| 48 | V | 95.2 | Very high | 96.3 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | trans | -119.3 | 116.2 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | L25 D45 G46 M52 E94 H95 | L25-V48 HydrophobicContact CD1-CG2 3.89Å; D45-V48 PolarHBondContact O-N 3.48Å; D45-V48 VanDerWaalsContact O-O 3.06Å; G46-V48 VanDerWaalsContact C-N 3.28Å; G46-V48 PolarHBondContact O-N 2.97Å; V48-M52 VanDerWaalsContact O-CE 3.32Å; V48-M52 WeakPolarHBondContact O-CE 3.37Å; V48-E94 HydrophobicContact CB-CB 4.33Å; V48-E94 HydrophobicContact CG2-CB 4.15Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; V48-H95 PolarHBondContact O-CE1 2.76Å; V48-H95 PolarHBondContact O-NE2 2.89Å | ||
| 49 | Q | 95.1 | Very high | 96.2 | Very high | 152 Ų | 152 | 46.8 Ų | 46.8 | 71% | 0.71 | 27% | 0.269 | S | S | * | . | trans | -89.8 | -30 | -175.4 | -58 | 177.4 | 16.8 | 0 | 0 | 112.6 | M52 | Q49-M52 WeakPolarHBondContact O-CB 3.41Š| ||
| 50 | K | 96.9 | Very high | 96.2 | Very high | 156 Ų | 156 | 51.8 Ų | 51.8 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 140.5 | -179.5 | -67.6 | -173.6 | 177.7 | -178.1 | 0 | 110.3 | M52 R92 H95 | K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å; K50-R92 VanDerWaalsContact O-CD 3.25Å; K50-R92 WeakPolarHBondContact O-CD 3.42Å; K50-H95 PolarHBondContact O-NE2 3.03Å |
| 51 | G | 96.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 55 Ų | 55 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R92 H95 | G51-R92 PolarHBondContact O-N 3.24Å; G51-H95 PolarHBondContact O-CD2 2.95Å |
| 52 | M | 96.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -67 | 133 | 179.4 | -178.2 | 172.8 | -85.5 | 0 | 0 | 110.9 | F15 D45 V48 Q49 K50 | F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.93Å; F15-M52 HydrophobicContact CE2-SD 4Å; F15-M52 HydrophobicContact CG-CE 4.49Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.45Å; F15-M52 HydrophobicContact CZ-SD 4.3Å; D45-M52 WeakPolarHBondContact O-CE 3.15Å; V48-M52 VanDerWaalsContact O-CE 3.32Å; V48-M52 WeakPolarHBondContact O-CE 3.37Å; Q49-M52 WeakPolarHBondContact O-CB 3.41Å; K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å |
| 53 | P | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.045 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70 | 147.2 | 176.9 | 29.5 | -35.6 | 0 | 0 | 0 | 111.1 | F15 I42 V91 H95 | F15-P53 WeakPolarHBondContact CZ-O 3.38Å; I42-P53 HydrophobicContact CG2-CB 3.74Å; I42-P53 HydrophobicContact CG2-CG 3.59Å; P53-V91 HydrophobicContact CB-CG1 4.47Å; P53-V91 HydrophobicContact CB-CG2 4.24Å; P53-V91 HydrophobicContact CG-CG1 4.4Å; P53-H95 HydrophobicContact CG-CB 4.33Å |
| 54 | H | 96.9 | Very high | 96.3 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 21% | 0.213 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.3 | 168.2 | -179.9 | -105.5 | 0 | 0 | 0 | 110.7 | Y7 S56 Y57 | Y7-H54 AromaticContact CD1-CD2 3.63Å; Y7-H54 HydrophobicContact CE1-CB 3.83Å; Y7-H54 AromaticContact CE1-CD2 3.63Å; Y7-H54 PolarHBondContact O-CD2 3.32Å; H54-S56 WeakPolarHBondContact ND1-CB 3.41Å; H54-S56 PolarHBondContact ND1-N 3.36Å; H54-S56 PolarHBondContact ND1-OG 2.88Å; H54-S56 PolarHBondContact O-N 3.13Å; H54-Y57 HydrophobicContact CB-CD2 3.96Å; H54-Y57 HydrophobicContact CB-CE2 4.16Å; H54-Y57 PolarHBondContact O-N 3.5Å |
| 55 | K | 96.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -51.7 | -29 | -177.2 | 62.2 | 176.2 | 176 | 179.5 | 0 | 114.6 | R9 T11 L14 F15 Y57 H58 | R9-K55 PolarHBondContact O-NZ 3.38Å; T11-K55 HydrophobicContact CG2-CB 3.77Å; T11-K55 HydrophobicContact CG2-CD 3.89Å; T11-K55 HydrophobicContact CG2-CG 4.36Å; L14-K55 HydrophobicContact CD2-CB 3.67Å; F15-K55 HydrophobicContact CZ-CB 4.27Å; K55-Y57 PolarHBondContact O-N 3.24Å; K55-H58 PolarHBondContact O-N 3.41Å |
| 56 | S | 96.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -63 | -22.5 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 114 | H54 | H54-S56 WeakPolarHBondContact ND1-CB 3.41Å; H54-S56 PolarHBondContact ND1-N 3.36Å; H54-S56 PolarHBondContact ND1-OG 2.88Å; H54-S56 PolarHBondContact O-N 3.13Å |
| 57 | Y | 97.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -99.9 | -5.3 | -179 | -54.2 | -65.4 | 0 | 0 | 0 | 112.7 | I42 H54 K55 G59 R60 V76 K78 K87 I89 | I42-Y57 WeakPolarHBondContact CB-O 3.46Å; I42-Y57 WeakPolarHBondContact CG2-O 3.3Å; H54-Y57 HydrophobicContact CB-CD2 3.96Å; H54-Y57 HydrophobicContact CB-CE2 4.16Å; H54-Y57 PolarHBondContact O-N 3.5Å; K55-Y57 PolarHBondContact O-N 3.24Å; Y57-G59 PolarHBondContact O-N 3.32Å; Y57-R60 WeakPolarHBondContact O-CB 3.39Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.1Å; Y57-V76 HydrophobicContact CD1-CB 4.2Å; Y57-V76 HydrophobicContact CD1-CG1 3.94Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; Y57-K78 HydrophobicContact CE1-CB 4.22Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K87 HydrophobicContact CE1-CB 4.38Å; Y57-I89 HydrophobicContact CD1-CD1 4.34Å; Y57-I89 HydrophobicContact CD2-CD1 4.21Å; Y57-I89 HydrophobicContact CD2-CG2 4.22Å; Y57-I89 HydrophobicContact CE1-CG2 4.32Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 4Å |
| 58 | H | 96.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 18% | 0.181 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 130.4 | 174.8 | -167.2 | 105.4 | 0 | 0 | 0 | 109.9 | L14 F15 G44 K55 R60 | L14-H58 HydrophobicContact CD1-CB 4.27Å; L14-H58 HydrophobicContact CD2-CB 4.05Å; L14-H58 HydrophobicContact CG-CB 4.3Å; L14-H58 PolarHBondContact O-CE1 3.22Å; F15-H58 AromaticContact CD1-ND1 3.93Å; F15-H58 AromaticContact CE1-ND1 3.69Å; G44-H58 PolarHBondContact N-ND1 3.44Å; K55-H58 PolarHBondContact O-N 3.41Å; H58-R60 PolarHBondContact O-N 3.27Å |
| 59 | G | 96.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 10.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I42 Y57 | I42-G59 PolarHBondContact O-N 3.36Å; Y57-G59 PolarHBondContact O-N 3.32Å |
| 60 | R | 97 | Very high | 96.9 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | trans | -92.5 | 146.1 | 173.9 | -58.5 | -59.6 | -178.3 | 179.6 | -4.9 | 110.5 | I42 Y57 H58 V76 | I42-R60 WeakPolarHBondContact CB-O 3.45Å; I42-R60 PolarHBondContact N-O 3.31Å; Y57-R60 WeakPolarHBondContact O-CB 3.39Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.1Å; H58-R60 PolarHBondContact O-N 3.27Å; R60-V76 HydrophobicContact CB-CG1 3.67Å; R60-V76 HydrophobicContact CG-CG1 4.31Å | ||
| 61 | T | 98.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.5 | 173.9 | -49.5 | 0 | 0 | 0 | 0 | 109.2 | I39 V40 D41 | I39-T61 HydrophobicContact CG2-CG2 3.36Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.27Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; D41-T61 WeakPolarHBondContact OD1-CB 3.46Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T61 PolarHBondContact OD1-OG1 3.34Å |
| 62 | G | 97.1 | Very high | 97 | Very high | 10 Ų | 10 | 58 Ų | 58 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I39 V40 I75 | I39-G62 WeakPolarHBondContact CA-O 3.5Å; V40-G62 PolarHBondContact N-O 2.72Å; V40-G62 PolarHBondContact O-N 2.93Å; G62-I75 WeakPolarHBondContact CA-O 3.45Å |
| 63 | R | 97.7 | Very high | 97.1 | Very high | 144 Ų | 144 | 56.4 Ų | 56.4 | 54% | 0.543 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.9 | 175.5 | -94.9 | -179.6 | 166.5 | 165.2 | -2.7 | 111.2 | D38 I39 Y65 I74 I75 | D38-R63 WeakPolarHBondContact O-CA 3.27Å; I39-R63 HydrophobicContact CG1-CG 4.13Å; R63-Y65 PolarHBondContact O-N 2.8Å; R63-I74 CarbonylContact O-C 3.6Å; R63-I74 WeakPolarHBondContact O-CA 3.41Å; R63-I75 PolarHBondContact N-O 3.13Å; R63-I75 PolarHBondContact O-N 2.89Å |
| 64 | V | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.1 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | R35 G37 D38 V40 V67 V72 G73 | R35-V64 WeakPolarHBondContact O-CB 3.36Å; G37-V64 PolarHBondContact N-O 3.23Å; D38-V64 HydrophobicContact CB-CG2 4.25Å; D38-V64 PolarHBondContact O-N 2.79Å; V40-V64 HydrophobicContact CG1-CG2 3.78Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V64-V67 HydrophobicContact CG1-CG2 3.8Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.38Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V64-V72 VanDerWaalsContact CG2-CG1 3.5Å; V64-G73 CarbonylContact C-O 3.45Å; V64-G73 WeakPolarHBondContact CA-O 3.34Å |
| 65 | Y | 97.8 | Very high | 97.2 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 28% | 0.275 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -30.9 | 174.8 | 81.4 | -87.6 | 0 | 0 | 0 | 112.8 | R36 R63 G73 I75 R88 N90 | R36-Y65 WeakPolarHBondContact CD-O 3.28Å; R63-Y65 PolarHBondContact O-N 2.8Å; Y65-G73 WeakPolarHBondContact CD1-O 3.41Å; Y65-G73 PolarHBondContact N-O 3.03Å; Y65-I75 HydrophobicContact CD1-CG1 3.83Å; Y65-I75 HydrophobicContact CG-CD1 4.29Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; Y65-R88 HydrophobicContact CD1-CG 4.41Å; Y65-R88 HydrophobicContact CE1-CB 3.97Å; Y65-R88 HydrophobicContact CE1-CG 4.13Å; Y65-N90 PolarHBondContact OH-OD1 3.39Å |
| 66 | N | 97.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149.5 | -179.2 | -170.4 | 25.2 | 0 | 0 | 0 | 110.5 | G73 | N66-G73 PolarHBondContact N-O 2.97Å; N66-G73 PolarHBondContact O-N 2.87Å |
| 67 | V | 97.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.2 | 176.7 | -177 | 0 | 0 | 0 | 0 | 107.6 | R36 V64 | R36-V67 HydrophobicContact CG-CG2 4.48Å; V64-V67 HydrophobicContact CG1-CG2 3.8Å |
| 68 | T | 96.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | trans | -125.8 | 170.3 | -179.9 | 67.2 | 0 | 0 | 0 | 0 | 109.1 | H70 A71 | T68-H70 PolarHBondContact O-N 3.44Å; T68-H70 VanDerWaalsContact O-N 3.07Å; T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 VanDerWaalsContact OG1-C 3.25Å; T68-A71 WeakPolarHBondContact OG1-CA 3.35Å; T68-A71 WeakPolarHBondContact OG1-CB 3.42Å; T68-A71 PolarHBondContact OG1-N 2.81Å; T68-A71 PolarHBondContact OG1-O 2.83Å | ||
| 69 | P | 96.2 | Very high | 97.3 | Very high | 117 Ų | 117 | 66 Ų | 66 | 76% | 0.76 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -54.1 | -33.8 | -173.5 | -30.1 | 36.7 | 0 | 0 | 0 | 115.5 | ||
| 70 | H | 95.5 | Very high | 97.3 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 59% | 0.593 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -129 | -2.6 | -176.7 | -54.9 | -48.2 | 0 | 0 | 0 | 114.2 | T68 I93 | T68-H70 PolarHBondContact O-N 3.44Å; T68-H70 VanDerWaalsContact O-N 3.07Å; H70-I93 WeakPolarHBondContact O-CG1 3.44Å; H70-I93 PolarHBondContact O-N 2.96Å |
| 71 | A | 97 | Very high | 97.3 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 161.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T68 V91 R92 | T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 VanDerWaalsContact OG1-C 3.25Å; T68-A71 WeakPolarHBondContact OG1-CA 3.35Å; T68-A71 WeakPolarHBondContact OG1-CB 3.42Å; T68-A71 PolarHBondContact OG1-N 2.81Å; T68-A71 PolarHBondContact OG1-O 2.83Å; A71-V91 CarbonylContact C-O 3.48Å; A71-V91 WeakPolarHBondContact CA-O 3.42Å; A71-V91 WeakPolarHBondContact CB-O 3.15Å; A71-R92 HydrophobicContact CB-CG 4.31Å |
| 72 | V | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.4 | -178.6 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | Y34 V64 I74 V91 I93 | Y34-V72 HydrophobicContact CD2-CG2 4.07Å; Y34-V72 HydrophobicContact CG-CG2 4.16Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.38Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V64-V72 VanDerWaalsContact CG2-CG1 3.5Å; V72-I74 HydrophobicContact CB-CG1 4.49Å; V72-I74 HydrophobicContact CG1-CG1 4.16Å; V72-V91 PolarHBondContact N-O 2.92Å; V72-V91 PolarHBondContact O-N 3.27Å; V72-I93 HydrophobicContact CG2-CG1 4.1Å |
| 73 | G | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V64 Y65 N66 I89 | V64-G73 CarbonylContact C-O 3.45Å; V64-G73 WeakPolarHBondContact CA-O 3.34Å; Y65-G73 WeakPolarHBondContact CD1-O 3.41Å; Y65-G73 PolarHBondContact N-O 3.03Å; N66-G73 PolarHBondContact N-O 2.97Å; N66-G73 PolarHBondContact O-N 2.87Å; G73-I89 CarbonylContact C-O 3.49Å; G73-I89 WeakPolarHBondContact CA-O 3.2Å |
| 74 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.8 | -176.5 | -51.5 | 168 | 0 | 0 | 0 | 109.6 | V40 I42 R63 V72 V76 I89 V91 V96 | V40-I74 HydrophobicContact CG2-CD1 3.65Å; V40-I74 HydrophobicContact CG2-CG1 3.87Å; V40-I74 HydrophobicContact CG2-CG2 3.91Å; I42-I74 HydrophobicContact CD1-CD1 4.19Å; I42-I74 HydrophobicContact CD1-CG2 4.34Å; I42-I74 HydrophobicContact CG1-CD1 3.88Å; R63-I74 CarbonylContact O-C 3.6Å; R63-I74 WeakPolarHBondContact O-CA 3.41Å; V72-I74 HydrophobicContact CB-CG1 4.49Å; V72-I74 HydrophobicContact CG1-CG1 4.16Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.65Å; I74-I89 HydrophobicContact CB-CG1 4.14Å; I74-I89 PolarHBondContact N-O 2.91Å; I74-I89 WeakPolarHBondContact O-CG1 3.49Å; I74-I89 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.18Å; I74-V91 HydrophobicContact CD1-CG2 4.32Å; I74-V96 HydrophobicContact CD1-CG1 4.17Å; I74-V96 HydrophobicContact CD1-CG2 3.73Å |
| 75 | I | 97.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 73 Ų | 73 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.8 | 166 | -62.3 | 168.4 | 0 | 0 | 0 | 107.7 | G62 R63 Y65 P86 K87 R88 | G62-I75 WeakPolarHBondContact CA-O 3.45Å; R63-I75 PolarHBondContact N-O 3.13Å; R63-I75 PolarHBondContact O-N 2.89Å; Y65-I75 HydrophobicContact CD1-CG1 3.83Å; Y65-I75 HydrophobicContact CG-CD1 4.29Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; I75-P86 HydrophobicContact CG2-CB 3.92Å; I75-K87 WeakPolarHBondContact CA-O 3.25Å; I75-R88 HydrophobicContact CG1-CG 4.02Å |
| 76 | V | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | 179.6 | -173 | 0 | 0 | 0 | 0 | 109.7 | I42 Y57 R60 I74 K78 K87 I89 | I42-V76 HydrophobicContact CD1-CG2 3.39Å; Y57-V76 HydrophobicContact CD1-CB 4.2Å; Y57-V76 HydrophobicContact CD1-CG1 3.94Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; R60-V76 HydrophobicContact CB-CG1 3.67Å; R60-V76 HydrophobicContact CG-CG1 4.31Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.65Å; V76-K78 PolarHBondContact O-N 3.23Å; V76-K87 PolarHBondContact N-O 2.84Å; V76-K87 PolarHBondContact O-N 3.45Å; V76-I89 HydrophobicContact CG2-CD1 3.66Å; V76-I89 HydrophobicContact CG2-CG1 4.02Å |
| 77 | N | 97.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.5 | 175.5 | -70.9 | -18.5 | 0 | 0 | 0 | 110.3 | I84 | N77-I84 HydrophobicContact CB-CG2 3.72Å |
| 78 | K | 97.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 80 Ų | 80 | 30% | 0.3 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | 176.2 | -178.6 | 176.6 | 176.7 | 179.8 | 0 | 110 | Y57 V76 V80 I85 K87 | Y57-K78 HydrophobicContact CE1-CB 4.22Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; V76-K78 PolarHBondContact O-N 3.23Å; K78-V80 HydrophobicContact CD-CG2 4.41Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; K78-I85 PolarHBondContact N-O 2.96Å; K78-I85 PolarHBondContact O-N 2.81Å; K78-K87 HydrophobicContact CB-CG 4.05Å |
| 79 | R | 96.9 | Very high | 97.2 | Very high | 195 Ų | 195 | 78.3 Ų | 78.3 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 128 | 168.9 | -172.3 | 175.6 | 179.5 | 170.2 | 1.7 | 109.9 | G81 R83 | R79-G81 PolarHBondContact NE-O 2.9Å; R79-R83 WeakPolarHBondContact CA-O 3.38Å |
| 80 | V | 96.7 | Very high | 97.3 | Very high | 63 Ų | 63 | 78.1 Ų | 78.1 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 101.7 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | K78 N82 R83 I85 | K78-V80 HydrophobicContact CD-CG2 4.41Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; V80-N82 PolarHBondContact O-N 2.85Å; V80-R83 PolarHBondContact N-O 3.26Å; V80-R83 PolarHBondContact O-N 3.06Å; V80-I85 HydrophobicContact CB-CD1 3.91Å; V80-I85 HydrophobicContact CG1-CD1 4.49Å; V80-I85 HydrophobicContact CG2-CD1 3.88Å; V80-I85 HydrophobicContact CG2-CG1 4.43Å |
| 81 | G | 95.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 72 Ų | 72 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -118.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R79 | R79-G81 PolarHBondContact NE-O 2.9Š|
| 82 | N | 96.9 | Very high | 97.4 | Very high | 153 Ų | 153 | 74.3 Ų | 74.3 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.9 | -177.9 | 62.8 | -16.4 | 0 | 0 | 0 | 114.6 | V80 | V80-N82 PolarHBondContact O-N 2.85Š|
| 83 | R | 97.4 | Very high | 97.3 | Very high | 157 Ų | 157 | 75.4 Ų | 75.4 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.5 | -173.4 | 63.4 | 178.6 | -178.6 | 135.7 | -4.8 | 114.2 | R79 V80 I85 | R79-R83 WeakPolarHBondContact CA-O 3.38Å; V80-R83 PolarHBondContact N-O 3.26Å; V80-R83 PolarHBondContact O-N 3.06Å; R83-I85 HydrophobicContact CG-CD1 4.34Å; R83-I85 HydrophobicContact CG-CG1 4.08Å |
| 84 | I | 97.5 | Very high | 97.3 | Very high | 120 Ų | 120 | 76 Ų | 76 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.4 | 172.9 | -60.3 | 175 | 0 | 0 | 0 | 108.2 | N77 | N77-I84 HydrophobicContact CB-CG2 3.72Å |
| 85 | I | 97 | Very high | 97.2 | Very high | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.7 | -178.1 | -53.3 | 176.4 | 0 | 0 | 0 | 108.8 | K78 V80 R83 K87 | K78-I85 PolarHBondContact N-O 2.96Å; K78-I85 PolarHBondContact O-N 2.81Å; V80-I85 HydrophobicContact CB-CD1 3.91Å; V80-I85 HydrophobicContact CG1-CD1 4.49Å; V80-I85 HydrophobicContact CG2-CD1 3.88Å; V80-I85 HydrophobicContact CG2-CG1 4.43Å; R83-I85 HydrophobicContact CG-CD1 4.34Å; R83-I85 HydrophobicContact CG-CG1 4.08Å; I85-K87 HydrophobicContact CG2-CD 4.06Å; I85-K87 PolarHBondContact O-N 2.87Å |
| 86 | P | 97.4 | Very high | 97.1 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 116.2 | 169 | 28.9 | -32.2 | 0 | 0 | 0 | 108.9 | I75 | I75-P86 HydrophobicContact CG2-CB 3.92Å |
| 87 | K | 98.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 78.3 Ų | 78.3 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.5 | 178.3 | -67.1 | -63.4 | -173.5 | 180 | 0 | 109.5 | Y57 I75 V76 K78 I85 | Y57-K87 HydrophobicContact CE1-CB 4.38Å; I75-K87 WeakPolarHBondContact CA-O 3.25Å; V76-K87 PolarHBondContact N-O 2.84Å; V76-K87 PolarHBondContact O-N 3.45Å; K78-K87 HydrophobicContact CB-CG 4.05Å; I85-K87 HydrophobicContact CG2-CD 4.06Å; I85-K87 PolarHBondContact O-N 2.87Å |
| 88 | R | 97.9 | Very high | 97 | Very high | 186 Ų | 186 | 76.4 Ų | 76.4 | 70% | 0.702 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122 | 170.3 | -67.2 | 177.5 | -176.5 | 179.6 | 1.3 | 108.3 | Y65 I75 | Y65-R88 HydrophobicContact CD1-CG 4.41Å; Y65-R88 HydrophobicContact CE1-CB 3.97Å; Y65-R88 HydrophobicContact CE1-CG 4.13Å; I75-R88 HydrophobicContact CG1-CG 4.02Å |
| 89 | I | 97.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.3 | 176.3 | 59.1 | 171.5 | 0 | 0 | 0 | 109.5 | I42 Y57 G73 I74 V76 V91 | I42-I89 HydrophobicContact CD1-CD1 3.68Å; Y57-I89 HydrophobicContact CD1-CD1 4.34Å; Y57-I89 HydrophobicContact CD2-CD1 4.21Å; Y57-I89 HydrophobicContact CD2-CG2 4.22Å; Y57-I89 HydrophobicContact CE1-CG2 4.32Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 4Å; G73-I89 CarbonylContact C-O 3.49Å; G73-I89 WeakPolarHBondContact CA-O 3.2Å; I74-I89 HydrophobicContact CB-CG1 4.14Å; I74-I89 PolarHBondContact N-O 2.91Å; I74-I89 WeakPolarHBondContact O-CG1 3.49Å; I74-I89 PolarHBondContact O-N 3.29Å; V76-I89 HydrophobicContact CG2-CD1 3.66Å; V76-I89 HydrophobicContact CG2-CG1 4.02Å; I89-V91 HydrophobicContact CB-CG2 4.32Å; I89-V91 HydrophobicContact CD1-CG2 3.58Å; I89-V91 HydrophobicContact CG1-CG2 3.86Å |
| 90 | N | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 72.5 Ų | 72.5 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.3 | 174.4 | -60.8 | -27.3 | 0 | 0 | 0 | 107.5 | Y65 | Y65-N90 PolarHBondContact OH-OD1 3.39Å |
| 91 | V | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.4 | -172.8 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | P53 A71 V72 I74 I89 H95 V96 | P53-V91 HydrophobicContact CB-CG1 4.47Å; P53-V91 HydrophobicContact CB-CG2 4.24Å; P53-V91 HydrophobicContact CG-CG1 4.4Å; A71-V91 CarbonylContact C-O 3.48Å; A71-V91 WeakPolarHBondContact CA-O 3.42Å; A71-V91 WeakPolarHBondContact CB-O 3.15Å; V72-V91 PolarHBondContact N-O 2.92Å; V72-V91 PolarHBondContact O-N 3.27Å; I74-V91 HydrophobicContact CD1-CB 4.18Å; I74-V91 HydrophobicContact CD1-CG2 4.32Å; I89-V91 HydrophobicContact CB-CG2 4.32Å; I89-V91 HydrophobicContact CD1-CG2 3.58Å; I89-V91 HydrophobicContact CG1-CG2 3.86Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.7Å |
| 92 | R | 97.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 75 Ų | 75 | 25% | 0.249 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 151.2 | 176.2 | -97.2 | -167.3 | 84.5 | 147.9 | 5.2 | 112.3 | K50 G51 A71 E94 H95 V96 | K50-R92 VanDerWaalsContact O-CD 3.25Å; K50-R92 WeakPolarHBondContact O-CD 3.42Å; G51-R92 PolarHBondContact O-N 3.24Å; A71-R92 HydrophobicContact CB-CG 4.31Å; R92-E94 WeakPolarHBondContact CB-OE2 3.3Å; R92-E94 IonicContact CZ-OE1 3.86Å; R92-E94 VanDerWaalsContact CZ-OE1 3.22Å; R92-E94 IonicContact CZ-OE2 3.05Å; R92-E94 IonicContact NE-OE1 3.19Å; R92-E94 PolarHBondContact NE-OE1 3.2Å; R92-E94 IonicContact NE-OE2 2.74Å; R92-E94 PolarHBondContact NE-OE2 3.07Å; R92-E94 IonicContact NH2-OE1 3.87Å; R92-E94 PolarHBondContact NH2-OE1 3.26Å; R92-E94 IonicContact NH2-OE2 3.22Å; R92-E94 PolarHBondContact O-N 3.36Å; R92-E94 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 2.69Å; R92-V96 WeakPolarHBondContact O-CG2 3.44Å |
| 93 | I | 96.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 74 Ų | 74 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -57.1 | -33 | -173.8 | -67.7 | 162.1 | 0 | 0 | 0 | 112.3 | V29 Y34 H70 V72 H95 V96 | V29-I93 VanDerWaalsContact O-CG2 3.3Å; V29-I93 WeakPolarHBondContact O-CG2 3.44Å; Y34-I93 HydrophobicContact CE2-CG2 3.84Å; H70-I93 WeakPolarHBondContact O-CG1 3.44Å; H70-I93 PolarHBondContact O-N 2.96Å; V72-I93 HydrophobicContact CG2-CG1 4.1Å; I93-H95 PolarHBondContact O-N 3.1Å; I93-H95 VanDerWaalsContact O-N 3.12Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-V96 VanDerWaalsContact O-N 3.1Å |
| 94 | E | 96.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -62.2 | -21.1 | -179.8 | -59.2 | 96.7 | 140.9 | 0 | 0 | 113.6 | L25 V29 Y30 V48 R92 | L25-E94 HydrophobicContact CD1-CB 3.83Å; L25-E94 HydrophobicContact CD1-CG 3.76Å; V29-E94 HydrophobicContact CG1-CB 4.43Å; V29-E94 HydrophobicContact CG1-CG 4.42Å; Y30-E94 HydrophobicContact CD1-CG 4.32Å; Y30-E94 HydrophobicContact CE1-CG 3.62Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.45Å; V48-E94 HydrophobicContact CB-CB 4.33Å; V48-E94 HydrophobicContact CG2-CB 4.15Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; R92-E94 WeakPolarHBondContact CB-OE2 3.3Å; R92-E94 IonicContact CZ-OE1 3.86Å; R92-E94 VanDerWaalsContact CZ-OE1 3.22Å; R92-E94 IonicContact CZ-OE2 3.05Å; R92-E94 IonicContact NE-OE1 3.19Å; R92-E94 PolarHBondContact NE-OE1 3.2Å; R92-E94 IonicContact NE-OE2 2.74Å; R92-E94 PolarHBondContact NE-OE2 3.07Å; R92-E94 IonicContact NH2-OE1 3.87Å; R92-E94 PolarHBondContact NH2-OE1 3.26Å; R92-E94 IonicContact NH2-OE2 3.22Å; R92-E94 PolarHBondContact O-N 3.36Å; R92-E94 VanDerWaalsContact O-N 3.15Å |
| 95 | H | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -103.8 | 6.2 | -178.9 | -52.5 | -42.8 | 0 | 0 | 0 | 113.6 | K43 D45 V48 K50 G51 P53 V91 R92 I93 | K43-H95 CarbonylContact C-O 3.55Å; K43-H95 PolarHBondContact N-O 2.79Å; K43-H95 CarbonylContact O-C 3.5Å; K43-H95 VanDerWaalsContact O-CA 3.25Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å; D45-H95 PolarHBondContact N-ND1 2.95Å; D45-H95 PolarHBondContact O-CE1 2.92Å; V48-H95 PolarHBondContact O-CE1 2.76Å; V48-H95 PolarHBondContact O-NE2 2.89Å; K50-H95 PolarHBondContact O-NE2 3.03Å; G51-H95 PolarHBondContact O-CD2 2.95Å; P53-H95 HydrophobicContact CG-CB 4.33Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; R92-H95 PolarHBondContact O-N 2.69Å; I93-H95 PolarHBondContact O-N 3.1Å; I93-H95 VanDerWaalsContact O-N 3.12Å |
| 96 | V | 96.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.9 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | Y34 V40 I74 V91 R92 I93 | Y34-V96 HydrophobicContact CD1-CG1 4.46Å; Y34-V96 HydrophobicContact CE1-CG1 3.77Å; Y34-V96 PolarHBondContact OH-O 3.48Å; V40-V96 HydrophobicContact CB-CG1 3.51Å; V40-V96 HydrophobicContact CG1-CG1 3.79Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; I74-V96 HydrophobicContact CD1-CG1 4.17Å; I74-V96 HydrophobicContact CD1-CG2 3.73Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.7Å; R92-V96 WeakPolarHBondContact O-CG2 3.44Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-V96 VanDerWaalsContact O-N 3.1Å |
| 97 | K | 95.8 | Very high | 96.3 | Very high | 102 Ų | 102 | 73.7 Ų | 73.7 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.1 | 173.1 | -61.3 | -174 | -178.2 | -168.8 | 0 | 109.3 | V40 D41 | V40-K97 CarbonylContact C-O 3.55Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CB-O 3.49Å; D41-K97 PolarHBondContact N-O 3.39Å; D41-K97 PolarHBondContact O-N 3.1Å |
| 98 | P | 96 | Very high | 96.2 | Very high | 68 Ų | 68 | 72.8 Ų | 72.8 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 140.3 | 170.6 | 29.2 | -31.6 | 0 | 0 | 0 | 109.6 | ||
| 99 | S | 95.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 66.4 Ų | 66.4 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | trans | -86.9 | 124.1 | -177 | -163.3 | 0 | 0 | 0 | 0 | 112 | I39 D41 C101 R102 | I39-S99 PolarHBondContact O-N 3.5Å; D41-S99 PolarHBondContact OD1-OG 3.24Å; D41-S99 WeakPolarHBondContact OD2-CA 3.33Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 3.25Å; S99-C101 PolarHBondContact O-N 2.61Å; S99-C101 PolarHBondContact OG-SG 3.27Å; S99-R102 PolarHBondContact O-N 3.14Å | ||
| 100 | K | 95.3 | Very high | 96.2 | Very high | 166 Ų | 166 | 72.7 Ų | 72.7 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.1 | -20.8 | 179.1 | -66 | -173.9 | 177 | -172.4 | 0 | 113.4 | R102 E103 D104 | K100-R102 PolarHBondContact O-N 3.39Å; K100-E103 PolarHBondContact O-N 3.05Å; K100-D104 PolarHBondContact O-N 3.3Å; K100-D104 VanDerWaalsContact O-N 3.13Å |
| 101 | C | 93.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 178.6 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | S99 F105 | S99-C101 PolarHBondContact O-N 2.61Å; S99-C101 PolarHBondContact OG-SG 3.27Å; C101-F105 PolarHBondContact O-N 2.98Å |
| 102 | R | 94.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.7 | -37 | 179.2 | -174.8 | 56.6 | 176.1 | -177.3 | 3.2 | 111.5 | I39 S99 K100 F105 L106 | I39-R102 HydrophobicContact CB-CB 4.42Å; I39-R102 HydrophobicContact CD1-CB 4.24Å; I39-R102 HydrophobicContact CD1-CG 4.31Å; S99-R102 PolarHBondContact O-N 3.14Å; K100-R102 PolarHBondContact O-N 3.39Å; R102-F105 VanDerWaalsContact NH1-CD1 3.34Å; R102-F105 PolarHBondContact O-N 3.23Å; R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.3Å; R102-L106 WeakPolarHBondContact O-CB 3.25Å; R102-L106 VanDerWaalsContact O-CG 3.27Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.05Å |
| 103 | E | 94.2 | Very high | 96.2 | Very high | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.9 | -49.6 | 177.2 | -172.9 | -179.5 | 179 | 0 | 0 | 111.4 | K100 F105 L106 R107 | K100-E103 PolarHBondContact O-N 3.05Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.1Å; E103-L106 PolarHBondContact O-N 3.07Å; E103-R107 PolarHBondContact O-N 2.83Å |
| 104 | D | 94.9 | Very high | 96.2 | Very high | 74 Ų | 74 | 76.3 Ų | 76.3 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.6 | -177.6 | 64.6 | 0 | 0 | 0 | 112.2 | K100 L106 R107 R108 | K100-D104 PolarHBondContact O-N 3.3Å; K100-D104 VanDerWaalsContact O-N 3.13Å; D104-L106 PolarHBondContact O-N 3.15Å; D104-R107 PolarHBondContact O-N 3.47Å; D104-R107 IonicContact OD1-CZ 3.67Å; D104-R107 IonicContact OD1-NE 3.83Å; D104-R107 IonicContact OD1-NH2 2.72Å; D104-R107 PolarHBondContact OD1-NH2 2.89Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 2.96Å |
| 105 | F | 96.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 80.8 Ų | 80.8 | 36% | 0.36 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.4 | 177.4 | -94.9 | 0 | 0 | 0 | 112.2 | C101 R102 E103 R108 V109 | C101-F105 PolarHBondContact O-N 2.98Å; R102-F105 VanDerWaalsContact NH1-CD1 3.34Å; R102-F105 PolarHBondContact O-N 3.23Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.1Å; F105-R108 PolarHBondContact O-N 3.04Å; F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.64Å; F105-V109 HydrophobicContact CE2-CG2 4.35Å; F105-V109 HydrophobicContact CZ-CG2 3.77Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.12Å |
| 106 | L | 96.2 | Very high | 96 | Very high | 78 Ų | 78 | 87.8 Ų | 87.8 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | -179.7 | -72 | 174.5 | 0 | 0 | 0 | 112.1 | R102 E103 D104 R108 V109 K110 | R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.3Å; R102-L106 WeakPolarHBondContact O-CB 3.25Å; R102-L106 VanDerWaalsContact O-CG 3.27Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.05Å; E103-L106 PolarHBondContact O-N 3.07Å; D104-L106 PolarHBondContact O-N 3.15Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.1Å; L106-V109 PolarHBondContact O-N 3.37Å; L106-K110 WeakPolarHBondContact O-CG 3.25Å; L106-K110 PolarHBondContact O-N 2.8Å; L106-K110 VanDerWaalsContact O-N 3.15Å |
| 107 | R | 96.7 | Very high | 96 | Very high | 143 Ų | 143 | 97 Ų | 97 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57 | -48.5 | 172.7 | 176.5 | 175.7 | 59.9 | -170.4 | 0.7 | 110.7 | E103 D104 V109 K110 E111 | E103-R107 PolarHBondContact O-N 2.83Å; D104-R107 PolarHBondContact O-N 3.47Å; D104-R107 IonicContact OD1-CZ 3.67Å; D104-R107 IonicContact OD1-NE 3.83Å; D104-R107 IonicContact OD1-NH2 2.72Å; D104-R107 PolarHBondContact OD1-NH2 2.89Å; R107-V109 PolarHBondContact O-N 3.2Å; R107-K110 PolarHBondContact O-N 2.84Å; R107-E111 VanDerWaalsContact CG-OE1 3.3Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 3.2Å |
| 108 | R | 96.9 | Very high | 96 | Very high | 60 Ų | 60 | 95.1 Ų | 95.1 | 23% | 0.226 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64 | -35.8 | 178.4 | -174.4 | 171.7 | 63.3 | 95.3 | 3.3 | 113.5 | D104 F105 L106 E111 N112 | D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 2.96Å; F105-R108 PolarHBondContact O-N 3.04Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.1Å; R108-E111 PolarHBondContact O-N 3.39Å; R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.19Å |
| 109 | V | 97.6 | Very high | 96 | Very high | 53 Ų | 53 | 92.6 Ų | 92.6 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 109.9 | F105 L106 R107 E111 N112 D113 | F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.64Å; F105-V109 HydrophobicContact CE2-CG2 4.35Å; F105-V109 HydrophobicContact CZ-CG2 3.77Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.12Å; L106-V109 PolarHBondContact O-N 3.37Å; R107-V109 PolarHBondContact O-N 3.2Å; V109-E111 PolarHBondContact O-N 2.74Å; V109-N112 PolarHBondContact O-N 3.37Å; V109-D113 PolarHBondContact O-N 3.49Å |
| 110 | K | 97.2 | Very high | 96 | Very high | 154 Ų | 154 | 100 Ų | 100 | 67% | 0.67 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.5 | -46.5 | 177.7 | -66.7 | 178 | 179.5 | -175 | 0 | 112.3 | L106 R107 N112 D113 V114 | L106-K110 WeakPolarHBondContact O-CG 3.25Å; L106-K110 PolarHBondContact O-N 2.8Å; L106-K110 VanDerWaalsContact O-N 3.15Å; R107-K110 PolarHBondContact O-N 2.84Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.25Å; K110-D113 PolarHBondContact O-N 3.26Å; K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.2Å; K110-V114 VanDerWaalsContact O-N 3.09Å |
| 111 | E | 97 | Very high | 96.1 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 177 | -71.6 | 171.4 | -167.6 | 0 | 0 | 112.3 | R107 R108 V109 V114 K115 | R107-E111 VanDerWaalsContact CG-OE1 3.3Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 3.2Å; R108-E111 PolarHBondContact O-N 3.39Å; V109-E111 PolarHBondContact O-N 2.74Å; E111-V114 PolarHBondContact O-N 3.01Å; E111-K115 WeakPolarHBondContact O-CG 3.32Å; E111-K115 PolarHBondContact O-N 3.46Å |
| 112 | N | 97.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 104.5 Ų | 104.5 | 14% | 0.139 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 177.7 | -80.6 | -3.8 | 0 | 0 | 0 | 112.4 | R108 V109 K110 R116 L128 | R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.19Å; V109-N112 PolarHBondContact O-N 3.37Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.25Å; N112-R116 VanDerWaalsContact O-CB 3.27Å; N112-R116 WeakPolarHBondContact O-CB 3.02Å; N112-R116 PolarHBondContact O-N 3.32Å; N112-L128 HydrophobicContact CB-CD2 4.28Å; N112-L128 PolarHBondContact ND2-O 3.13Å |
| 113 | D | 96.8 | Very high | 96.1 | Very high | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 177 | -70.7 | -23.4 | 0 | 0 | 0 | 111.3 | V109 K110 R116 R117 | V109-D113 PolarHBondContact O-N 3.49Å; K110-D113 PolarHBondContact O-N 3.26Å; D113-R116 PolarHBondContact O-N 3.29Å; D113-R117 PolarHBondContact O-N 3.1Å |
| 114 | V | 96.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 104.7 Ų | 104.7 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -53.5 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | K110 E111 R116 R117 D118 | K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.2Å; K110-V114 VanDerWaalsContact O-N 3.09Å; E111-V114 PolarHBondContact O-N 3.01Å; V114-R116 PolarHBondContact O-N 3.43Å; V114-R117 WeakPolarHBondContact O-CB 3.13Å; V114-R117 PolarHBondContact O-N 2.75Å; V114-D118 PolarHBondContact O-N 3.47Å |
| 115 | K | 95.8 | Very high | 96 | Very high | 106 Ų | 106 | 109.7 Ų | 109.7 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.6 | -37.5 | 178.4 | -73 | 173.7 | -177.9 | 174 | 0 | 112.7 | E111 A119 L128 | E111-K115 WeakPolarHBondContact O-CG 3.32Å; E111-K115 PolarHBondContact O-N 3.46Å; K115-A119 WeakPolarHBondContact O-CB 3.12Å; K115-A119 PolarHBondContact O-N 2.72Å; K115-L128 HydrophobicContact CB-CD2 3.92Å |
| 116 | R | 95.8 | Very high | 95.9 | Very high | 146 Ų | 146 | 108.8 Ų | 108.8 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -40.3 | 177.5 | -172.6 | -177.1 | -58.7 | 170.1 | 7.9 | 111.5 | N112 D113 V114 K120 L128 | N112-R116 VanDerWaalsContact O-CB 3.27Å; N112-R116 WeakPolarHBondContact O-CB 3.02Å; N112-R116 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 3.29Å; V114-R116 PolarHBondContact O-N 3.43Å; R116-K120 WeakPolarHBondContact O-CB 3.44Å; R116-K120 PolarHBondContact O-N 2.81Å; R116-K120 VanDerWaalsContact O-N 3.07Å; R116-L128 HydrophobicContact CB-CD1 4.19Å |
| 117 | R | 96 | Very high | 95.8 | Very high | 197 Ų | 197 | 110.7 Ų | 110.7 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -49.3 | 177.4 | -170.9 | 178.2 | -177.7 | 169.9 | 0.6 | 110.8 | D113 V114 A119 K120 E121 | D113-R117 PolarHBondContact O-N 3.1Å; V114-R117 WeakPolarHBondContact O-CB 3.13Å; V114-R117 PolarHBondContact O-N 2.75Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 3.47Å; R117-K120 WeakPolarHBondContact O-CB 3.48Å; R117-K120 PolarHBondContact O-N 3.22Å; R117-K120 VanDerWaalsContact O-N 3.16Å; R117-E121 PolarHBondContact O-N 3.14Å |
| 118 | D | 96 | Very high | 95.7 | Very high | 61 Ų | 61 | 106 Ų | 106 | 33% | 0.326 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.3 | -59.4 | -13.4 | 0 | 0 | 0 | 111.9 | V114 K120 E121 R122 | V114-D118 PolarHBondContact O-N 3.47Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.03Å; D118-E121 PolarHBondContact O-N 3.18Å; D118-R122 WeakPolarHBondContact O-CB 2.92Å; D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.12Å |
| 119 | A | 95.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 111.3 Ų | 111.3 | 13% | 0.132 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K115 R117 N123 V124 V126 | K115-A119 WeakPolarHBondContact O-CB 3.12Å; K115-A119 PolarHBondContact O-N 2.72Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 3.47Å; A119-N123 WeakPolarHBondContact O-CA 3.39Å; A119-N123 PolarHBondContact O-N 3.16Å; A119-V124 WeakPolarHBondContact CB-O 3.43Å; A119-V124 PolarHBondContact O-N 3.32Å; A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG2 3.73Å |
| 120 | K | 95.9 | Very high | 95.6 | Very high | 170 Ų | 170 | 117.5 Ų | 117.5 | 74% | 0.739 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 176.5 | -172.4 | 178.1 | -179.7 | -176.9 | 0 | 111.6 | R116 R117 D118 N123 | R116-K120 WeakPolarHBondContact O-CB 3.44Å; R116-K120 PolarHBondContact O-N 2.81Å; R116-K120 VanDerWaalsContact O-N 3.07Å; R117-K120 WeakPolarHBondContact O-CB 3.48Å; R117-K120 PolarHBondContact O-N 3.22Å; R117-K120 VanDerWaalsContact O-N 3.16Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.03Å; K120-N123 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-OD1 3.27Å |
| 121 | E | 96.5 | Very high | 95.5 | Very high | 152 Ų | 152 | 115.6 Ų | 115.6 | 71% | 0.71 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 177.7 | -173.7 | 173.1 | -174.4 | 0 | 0 | 112.1 | R117 D118 N123 | R117-E121 PolarHBondContact O-N 3.14Å; D118-E121 PolarHBondContact O-N 3.18Å; E121-N123 VanDerWaalsContact C-N 3.33Å |
| 122 | R | 95.4 | Very high | 95.4 | Very high | 190 Ų | 190 | 115.8 Ų | 115.8 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -83.4 | -6 | 178.5 | -63.3 | 176.8 | -173.2 | 172 | 3.7 | 114 | D118 V124 | D118-R122 WeakPolarHBondContact O-CB 2.92Å; D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.12Å; R122-V124 HydrophobicContact CB-CG2 4.11Å; R122-V124 PolarHBondContact O-N 3.29Å |
| 123 | N | 93 | Very high | 95.4 | Very high | 146 Ų | 146 | 119.5 Ų | 119.5 | 78% | 0.781 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.4 | 36.2 | -171 | -66 | -55.1 | 0 | 0 | 0 | 114.1 | A119 K120 E121 | A119-N123 WeakPolarHBondContact O-CA 3.39Å; A119-N123 PolarHBondContact O-N 3.16Å; K120-N123 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-OD1 3.27Å; E121-N123 VanDerWaalsContact C-N 3.33Å |
| 124 | V | 95.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 121.7 Ų | 121.7 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | trans | -107.5 | 137.9 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | A119 R122 | A119-V124 WeakPolarHBondContact CB-O 3.43Å; A119-V124 PolarHBondContact O-N 3.32Å; R122-V124 HydrophobicContact CB-CG2 4.11Å; R122-V124 PolarHBondContact O-N 3.29Å | ||
| 125 | F | 92.9 | Very high | 95.3 | Very high | 180 Ų | 180 | 123.1 Ų | 123.1 | 79% | 0.789 | 59% | 0.592 | S | S | * | * | trans | -74 | 129.5 | 172.2 | 178.1 | -99.4 | 0 | 0 | 0 | 111.4 | ||||
| 126 | V | 93.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 129.3 Ų | 129.3 | 38% | 0.376 | 61% | 0.612 | S | S | . | * | trans | -125.2 | 129.6 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | A119 L128 | A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG2 3.73Å; V126-L128 HydrophobicContact CG1-CD2 4.22Å; V126-L128 PolarHBondContact O-N 2.93Å | ||
| 127 | Q | 94.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 126.4 Ų | 126.4 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | trans | -79.2 | 108.9 | 174.9 | -176.9 | 142.8 | -77.5 | 0 | 0 | 111.6 | ||||
| 128 | L | 95.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 121.1 Ų | 121.1 | 24% | 0.236 | 63% | 0.626 | C | S | . | * | trans | -89.7 | -10.8 | -180 | -60.1 | 174 | 0 | 0 | 0 | 114.2 | N112 K115 R116 V126 | N112-L128 HydrophobicContact CB-CD2 4.28Å; N112-L128 PolarHBondContact ND2-O 3.13Å; K115-L128 HydrophobicContact CB-CD2 3.92Å; R116-L128 HydrophobicContact CB-CD1 4.19Å; V126-L128 HydrophobicContact CG1-CD2 4.22Å; V126-L128 PolarHBondContact O-N 2.93Å | ||
| 129 | K | 95.9 | Very high | 95.2 | Very high | 172 Ų | 172 | 125 Ų | 125 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -79.1 | 141.5 | 179.3 | -68.4 | -178.6 | -179 | 175.9 | 0 | 109.8 | ||
| 130 | R | 95.5 | Very high | 95.1 | Very high | 182 Ų | 182 | 130.9 Ų | 130.9 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | trans | -70.5 | 140.6 | 172.4 | -63.6 | -177.5 | -64.3 | -178.8 | 2.8 | 109.2 | ||||
| 131 | Q | 94.7 | Very high | 94.9 | Very high | 115 Ų | 115 | 128 Ų | 128 | 54% | 0.537 | 67% | 0.667 | S | S | . | * | trans | -108.7 | 146.1 | 170.9 | -64.6 | -60.6 | -14.8 | 0 | 0 | 109.9 | ||||
| 132 | P | 96.7 | Very high | 94.6 | Very high | 93 Ų | 93 | 128.6 Ų | 128.6 | 60% | 0.604 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 164.3 | 167.5 | 29.8 | -33.3 | 0 | 0 | 0 | 110 | Q134 | P132-Q134 PolarHBondContact O-N 3.1Å; P132-Q134 VanDerWaalsContact O-N 3.13Å; P132-Q134 PolarHBondContact O-NE2 3.17Å |
| 133 | A | 96.4 | Very high | 94.3 | Very high | 105 Ų | 105 | 123.7 Ų | 123.7 | 87% | 0.868 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 121.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 134 | Q | 95 | Very high | 94 | Very high | 126 Ų | 126 | 126 Ų | 126 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 161.1 | 178.3 | -63.8 | -55.7 | -62.6 | 0 | 0 | 110.3 | P132 R136 | P132-Q134 PolarHBondContact O-N 3.1Å; P132-Q134 VanDerWaalsContact O-N 3.13Å; P132-Q134 PolarHBondContact O-NE2 3.17Å; Q134-R136 PolarHBondContact O-N 3.33Å |
| 135 | P | 97.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 142.7 | 168.4 | -25.4 | 34.6 | 0 | 0 | 0 | 110.9 | A137 | P135-A137 PolarHBondContact O-N 2.69Š|
| 136 | R | 95.1 | Very high | 93.3 | Very high | 236 Ų | 236 | 126.1 Ų | 126.1 | 89% | 0.891 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.9 | 176.6 | -69.2 | -177.7 | 175.6 | -176.7 | -1 | 108.6 | Q134 | Q134-R136 PolarHBondContact O-N 3.33Š|
| 137 | A | 95.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P135 H139 | P135-A137 PolarHBondContact O-N 2.69Å; A137-H139 PolarHBondContact O-N 3.3Å |
| 138 | G | 95.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 127.9 Ų | 127.9 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 139 | H | 95 | Very high | 92.5 | Very high | 142 Ų | 142 | 131.1 Ų | 131.1 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | trans | -139 | 150.6 | 174.9 | 68.5 | -75 | 0 | 0 | 0 | 109.5 | A137 | A137-H139 PolarHBondContact O-N 3.3Š| ||
| 140 | L | 93.4 | Very high | 92.4 | Very high | 141 Ų | 141 | 129.1 Ų | 129.1 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -81.4 | 120.2 | 177.9 | -171 | 94.7 | 0 | 0 | 0 | 109.6 | K142 | L140-K142 HydrophobicContact CD2-CD 4.45Å; L140-K142 HydrophobicContact CD2-CG 3.75Å | ||
| 141 | V | 90.9 | Very high | 92.3 | Very high | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.655 | 72% | 0.716 | S | S | * | * | trans | -90.6 | 113.3 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 142 | K | 90.4 | Very high | 92.2 | Very high | 165 Ų | 165 | 128.1 Ų | 128.1 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | -87.5 | 127.3 | 178.1 | -64.6 | -177 | -179.1 | 179.8 | 0 | 110.2 | L140 | L140-K142 HydrophobicContact CD2-CD 4.45Å; L140-K142 HydrophobicContact CD2-CG 3.75Å | ||
| 143 | T | 89.6 | Confident | 92 | Very high | 87 Ų | 87 | 129.5 Ų | 129.5 | 53% | 0.534 | 73% | 0.732 | S | S | . | * | trans | -96 | -0.9 | -179.2 | 45 | 0 | 0 | 0 | 0 | 114.2 | N145 N146 V148 | T143-N145 VanDerWaalsContact C-N 3.34Å; T143-N145 PolarHBondContact O-N 3Å; T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 3.13Å; T143-V148 HydrophobicContact CG2-CG2 4.11Å | ||
| 144 | K | 87.2 | Confident | 91.8 | Very high | 194 Ų | 194 | 131.9 Ų | 131.9 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -42.2 | -173.6 | -171.1 | 177.1 | 179.6 | 178.8 | 0 | 113.8 | ||
| 145 | N | 87 | Confident | 91.6 | Very high | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 2.7 | -179.6 | -62.5 | -2.8 | 0 | 0 | 0 | 112.5 | T143 | T143-N145 VanDerWaalsContact C-N 3.34Å; T143-N145 PolarHBondContact O-N 3Å |
| 146 | N | 86.5 | Confident | 91.3 | Very high | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -136.7 | 88.9 | -177.9 | -163.6 | 14.4 | 0 | 0 | 0 | 109.1 | T143 | T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 3.13Å |
| 147 | P | 85.4 | Confident | 91 | Very high | 95 Ų | 95 | 131.5 Ų | 131.5 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.6 | -179.2 | 27.8 | -33.2 | 0 | 0 | 0 | 110.4 | V149 | P147-V149 PolarHBondContact O-N 3.06Š|
| 148 | V | 91.4 | Very high | 90.3 | Very high | 123 Ų | 123 | 133.8 Ų | 133.8 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 118.3 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | T143 | T143-V148 HydrophobicContact CG2-CG2 4.11Š|
| 149 | V | 90.1 | Very high | 89.9 | Confident | 112 Ų | 112 | 137.2 Ų | 137.2 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 116.5 | 177 | -178.3 | 0 | 0 | 0 | 0 | 109 | P147 V151 | P147-V149 PolarHBondContact O-N 3.06Å; V149-V151 PolarHBondContact O-N 3.02Å |
| 150 | T | 92.9 | Very high | 89.2 | Confident | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -75.4 | 116 | 170.7 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 151 | V | 92.6 | Very high | 89 | Confident | 129 Ų | 129 | 137.9 Ų | 137.9 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -95.7 | 143.2 | 176.5 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | V149 | V149-V151 PolarHBondContact O-N 3.02Š| ||
| 152 | H | 93 | Very high | 88.9 | Confident | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -117.6 | 150.4 | 175.5 | 50.4 | -88.5 | 0 | 0 | 0 | 110.4 | L154 | H152-L154 PolarHBondContact O-N 3.42Š| ||
| 153 | P | 93.9 | Very high | 88.9 | Confident | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.4 | 173.2 | 26 | -32.9 | 0 | 0 | 0 | 110 | ||
| 154 | L | 90.7 | Very high | 88.8 | Confident | 154 Ų | 154 | 141.1 Ų | 141.1 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.9 | 173.8 | -70.3 | 168.6 | 0 | 0 | 0 | 109.7 | H152 | H152-L154 PolarHBondContact O-N 3.42Š|
| 155 | P | 91.2 | Very high | 88.9 | Confident | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.1 | 171.9 | 27.7 | -32.8 | 0 | 0 | 0 | 110.6 | E157 | P155-E157 PolarHBondContact O-N 3.43Š|
| 156 | Y | 92 | Very high | 89 | Confident | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.5 | 174.6 | 173.6 | -95.6 | 0 | 0 | 0 | 110.3 | L158 | Y156-L158 HydrophobicContact CE1-CD1 4.17Å; Y156-L158 HydrophobicContact CE1-CG 4.45Å |
| 157 | E | 86.9 | Confident | 89.2 | Confident | 162 Ų | 162 | 138.1 Ų | 138.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -137.5 | 139 | 175.7 | -158 | 174.1 | -159.1 | 0 | 0 | 109.6 | P155 I159 | P155-E157 PolarHBondContact O-N 3.43Å; E157-I159 PolarHBondContact O-N 3.33Å | ||
| 158 | L | 81 | Confident | 89.5 | Confident | 132 Ų | 132 | 141.4 Ų | 141.4 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -88.4 | 98.4 | -174.6 | -131.9 | 145.5 | 0 | 0 | 0 | 109 | Y156 | Y156-L158 HydrophobicContact CE1-CD1 4.17Å; Y156-L158 HydrophobicContact CE1-CG 4.45Å | ||
| 159 | I | 87 | Confident | 89.4 | Confident | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -93.2 | 103.1 | 175.5 | -53.3 | 174.3 | 0 | 0 | 0 | 107.7 | E157 | E157-I159 PolarHBondContact O-N 3.33Š| ||
| 160 | A | 81.3 | Confident | 89.3 | Confident | 159 Ų | 159 | 145.7 Ų | 145.7 | 100% | 1.314 | 81% | 0.812 | S | S | * | * | trans | -106.5 | 0 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 160 of 160 residues in 274.2 ms
(Link to these results)