| 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 | 64.3 | Low | 92.6 | Very high | 246 Ų | 246 | 126.4 Ų | 126.4 | 100% | 1.212 | 65% | 0.654 | S | S | * | * | 0 | 122.4 | 0 | -108 | -179.1 | -101.7 | 0 | 0 | 110.3 | |||||
| 2 | T | 90.6 | Very high | 92.9 | Very high | 144 Ų | 144 | 132.6 Ų | 132.6 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 134.5 | 176.9 | 43.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 3 | N | 93.1 | Very high | 93.2 | Very high | 123 Ų | 123 | 136.1 Ų | 136.1 | 66% | 0.658 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 145.3 | 176.2 | -70.1 | -48.4 | 0 | 0 | 0 | 112.4 | R9 | N3-R9 VanDerWaalsContact CB-NH1 3.3Š|
| 4 | T | 96 | Very high | 93.4 | Very high | 102 Ų | 102 | 130.4 Ų | 130.4 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 153.7 | 176.5 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | R9 | T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.46Å |
| 5 | R | 95.4 | Very high | 93.6 | Very high | 246 Ų | 246 | 122.2 Ų | 122.2 | 93% | 0.928 | 60% | 0.598 | S | S | * | * | trans | -102 | 23.8 | -176.3 | -63.3 | -178 | -177.9 | 171.8 | 1.8 | 114.2 | ||||
| 6 | G | 96.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 118.6 Ų | 118.6 | 41% | 0.412 | 59% | 0.589 | S | S | . | * | trans | -63 | 141.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R8 R9 | G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.14Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.06Å; G6-R9 VanDerWaalsContact O-N 3.11Å | ||
| 7 | K | 96.3 | Very high | 93.9 | Very high | 176 Ų | 176 | 115.9 Ų | 115.9 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -32.3 | -178.3 | -65.4 | 179.2 | -178.3 | 173.1 | 0 | 113.4 | ||
| 8 | R | 96.1 | Very high | 94 | Very high | 117 Ų | 117 | 113.1 Ų | 113.1 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.2 | 19.5 | -178.7 | -59.8 | -173.1 | 76.7 | 176.2 | 4 | 113.8 | G6 G10 T11 | G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.14Å; R8-G10 PolarHBondContact O-N 3.31Å; R8-T11 HydrophobicContact CB-CG2 4.48Å; R8-T11 PolarHBondContact O-N 2.92Å; R8-T11 PolarHBondContact O-OG1 3.39Å |
| 9 | R | 97 | Very high | 94.2 | Very high | 107 Ų | 107 | 115.7 Ų | 115.7 | 40% | 0.404 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | 129.7 | 174.2 | -173.6 | -168.9 | 85.8 | -162.9 | 5.6 | 110.2 | N3 T4 G6 K55 | N3-R9 VanDerWaalsContact CB-NH1 3.3Å; T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.46Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.06Å; G6-R9 VanDerWaalsContact O-N 3.11Å; R9-K55 PolarHBondContact O-NZ 3.26Å |
| 10 | G | 96.2 | Very high | 94.3 | Very high | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.5 | 24.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R8 | R8-G10 PolarHBondContact O-N 3.31Š|
| 11 | T | 97.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 120.9 Ų | 120.9 | 7% | 0.074 | 59% | 0.586 | C | S | . | * | trans | -104.7 | 20.1 | 179.8 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | R8 Y13 M14 F15 K55 | R8-T11 HydrophobicContact CB-CG2 4.48Å; R8-T11 PolarHBondContact O-N 2.92Å; R8-T11 PolarHBondContact O-OG1 3.39Å; T11-Y13 PolarHBondContact O-N 3.01Å; T11-M14 HydrophobicContact CG2-CE 3.56Å; T11-M14 PolarHBondContact O-N 3.25Å; T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.96Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.03Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.24Å; T11-K55 HydrophobicContact CG2-CB 3.85Å; T11-K55 HydrophobicContact CG2-CD 3.88Å; T11-K55 HydrophobicContact CG2-CG 4.4Å | ||
| 12 | R | 95.9 | Very high | 95.8 | Very high | 201 Ų | 201 | 115.4 Ų | 115.4 | 76% | 0.758 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -52.9 | -175 | -173.7 | -179.1 | -173.6 | 179 | 2.7 | 111.8 | S16 | R12-S16 WeakPolarHBondContact O-CB 3.42Š|
| 13 | Y | 96.8 | Very high | 96 | Very high | 178 Ų | 178 | 110.4 Ų | 110.4 | 70% | 0.698 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -26.8 | 179.2 | -54.5 | -68.3 | 0 | 0 | 0 | 113.3 | T11 F15 S16 | T11-Y13 PolarHBondContact O-N 3.01Å; Y13-F15 PolarHBondContact O-N 3.27Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y13-S16 PolarHBondContact O-OG 3.03Å |
| 14 | M | 96.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 110.5 Ų | 110.5 | 28% | 0.276 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -33.7 | -174.6 | -171.4 | -169.4 | 72.9 | 0 | 0 | 113.2 | T11 K55 H58 | T11-M14 HydrophobicContact CG2-CE 3.56Å; T11-M14 PolarHBondContact O-N 3.25Å; M14-K55 HydrophobicContact CE-CB 3.25Å; M14-K55 HydrophobicContact SD-CB 4.03Å; M14-H58 HydrophobicContact CE-CB 4.21Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.87Å; M14-H58 VanDerWaalsContact O-CE1 3.29Å; M14-H58 HydrophobicContact SD-CB 3.79Å |
| 15 | F | 96.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 106.5 Ų | 106.5 | 4% | 0.035 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.1 | 174.9 | -64.2 | -37.1 | 0 | 0 | 0 | 112.9 | T11 Y13 G46 M52 P53 K55 H58 | T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.96Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.03Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.24Å; Y13-F15 PolarHBondContact O-N 3.27Å; F15-G46 WeakPolarHBondContact O-CA 3.25Å; F15-G46 PolarHBondContact O-N 2.93Å; F15-G46 VanDerWaalsContact O-N 3.14Å; F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.83Å; F15-M52 HydrophobicContact CE1-SD 4.44Å; F15-M52 HydrophobicContact CE2-SD 3.81Å; F15-M52 HydrophobicContact CG-SD 4.15Å; F15-M52 HydrophobicContact CZ-CG 4.35Å; F15-M52 HydrophobicContact CZ-SD 4.12Å; F15-P53 WeakPolarHBondContact CZ-O 3.46Å; F15-K55 HydrophobicContact CZ-CB 4.44Å; F15-H58 AromaticContact CD1-ND1 3.98Å; F15-H58 AromaticContact CE1-ND1 3.73Å |
| 16 | S | 95.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -69.9 | 160.4 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | R12 Y13 | R12-S16 WeakPolarHBondContact O-CB 3.42Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y13-S16 PolarHBondContact O-OG 3.03Å |
| 17 | R | 95.6 | Very high | 96.1 | Very high | 73 Ų | 73 | 102.7 Ų | 102.7 | 28% | 0.275 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 146.5 | 168.6 | -67.2 | -64.2 | -64.9 | -177.8 | -3.8 | 109.1 | K21 T45 T47 | R17-K21 VanDerWaalsContact CZ-O 3.25Å; R17-K21 PolarHBondContact NE-O 3.31Å; R17-K21 PolarHBondContact NH2-O 3.01Å; R17-T45 PolarHBondContact NH1-OG1 3.48Å; R17-T47 VanDerWaalsContact CD-OG1 3.28Å; R17-T47 WeakPolarHBondContact CD-OG1 3.4Å |
| 18 | A | 96.2 | Very high | 96.2 | Very high | 65 Ų | 65 | 97.7 Ų | 97.7 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R20 K21 | A18-R20 PolarHBondContact O-N 3.29Å; A18-K21 HydrophobicContact CB-CB 4.21Å; A18-K21 HydrophobicContact CB-CG 4.27Å; A18-K21 WeakPolarHBondContact O-CB 3.49Å; A18-K21 PolarHBondContact O-N 3.48Å |
| 19 | F | 97 | Very high | 96.2 | Very high | 162 Ų | 162 | 93.1 Ų | 93.1 | 71% | 0.711 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.4 | 179.1 | -177.5 | -116.8 | 0 | 0 | 0 | 111.5 | K21 | F19-K21 PolarHBondContact O-N 2.92Š|
| 20 | R | 96.4 | Very high | 96.1 | Very high | 204 Ų | 204 | 92.2 Ų | 92.2 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 24.9 | -176.3 | -61 | 178.2 | -177.4 | 171.3 | 2.7 | 114.6 | A18 | A18-R20 PolarHBondContact O-N 3.29Š|
| 21 | K | 95.7 | Very high | 96.2 | Very high | 136 Ų | 136 | 95.3 Ų | 95.3 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | trans | -123.8 | 32.3 | 173.7 | -59.6 | -65.4 | -179.3 | -172.2 | 0 | 111.7 | R17 A18 F19 | R17-K21 VanDerWaalsContact CZ-O 3.25Å; R17-K21 PolarHBondContact NE-O 3.31Å; R17-K21 PolarHBondContact NH2-O 3.01Å; A18-K21 HydrophobicContact CB-CB 4.21Å; A18-K21 HydrophobicContact CB-CG 4.27Å; A18-K21 WeakPolarHBondContact O-CB 3.49Å; A18-K21 PolarHBondContact O-N 3.48Å; F19-K21 PolarHBondContact O-N 2.92Å | ||
| 22 | H | 95.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 99.7 Ų | 99.7 | 61% | 0.606 | 49% | 0.489 | S | S | * | . | trans | -80 | 171.6 | 172.9 | -62.4 | -94.6 | 0 | 0 | 0 | 110.9 | ||||
| 23 | G | 94.6 | Very high | 96.2 | Very high | 40 Ų | 40 | 96 Ų | 96 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 89.4 | -157 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 24 | P | 95.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 88.3 Ų | 88.3 | 81% | 0.805 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -58.5 | 144.5 | -175.5 | -24.9 | 34.6 | 0 | 0 | 0 | 113.5 | ||
| 25 | I | 95.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 94 Ų | 94 | 9% | 0.092 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 136.9 | 173.6 | -63.2 | 178.9 | 0 | 0 | 0 | 108.5 | T29 Y30 T45 T47 I48 E94 | I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.2Å; I25-Y30 HydrophobicContact CB-CE2 3.97Å; I25-Y30 HydrophobicContact CG2-CE2 4Å; I25-T45 HydrophobicContact CD1-CG2 3.96Å; I25-T47 HydrophobicContact CD1-CG2 4.46Å; I25-T47 HydrophobicContact CG1-CG2 4.25Å; I25-I48 HydrophobicContact CD1-CD1 4.45Å; I25-I48 HydrophobicContact CD1-CG1 3.62Å; I25-E94 HydrophobicContact CD1-CB 3.94Å; I25-E94 HydrophobicContact CD1-CG 4.05Å |
| 26 | P | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 100.8 Ų | 100.8 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.3 | 178.4 | 24.9 | -34.9 | 0 | 0 | 0 | 111.9 | S28 T29 | P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.12Å; P26-T29 WeakPolarHBondContact O-CB 3.33Å; P26-T29 PolarHBondContact O-N 3.37Å; P26-T29 PolarHBondContact O-OG1 3.34Å |
| 27 | L | 96.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 98.7 Ų | 98.7 | 68% | 0.675 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -56.5 | -30.2 | -178 | -67.6 | 177.7 | 0 | 0 | 0 | 113.4 | T29 Y30 M31 | L27-T29 PolarHBondContact O-N 3.02Å; L27-Y30 PolarHBondContact O-N 3.13Å; L27-M31 HydrophobicContact CB-CE 4.03Å; L27-M31 PolarHBondContact O-N 3.44Å; L27-M31 VanDerWaalsContact O-N 3.12Å |
| 28 | S | 96.7 | Very high | 96.5 | Very high | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -16.2 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | P26 R32 | P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.12Å; S28-R32 VanDerWaalsContact O-CG 3.29Å; S28-R32 WeakPolarHBondContact O-CG 3.43Å |
| 29 | T | 96.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 97 Ų | 97 | 13% | 0.129 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -78.4 | -38.7 | 173.1 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | I25 P26 L27 | I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.2Å; P26-T29 WeakPolarHBondContact O-CB 3.33Å; P26-T29 PolarHBondContact O-N 3.37Å; P26-T29 PolarHBondContact O-OG1 3.34Å; L27-T29 PolarHBondContact O-N 3.02Å |
| 30 | Y | 96.5 | Very high | 96.6 | Very high | 89 Ų | 89 | 89.3 Ų | 89.3 | 35% | 0.349 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.5 | -35.1 | -177.8 | -62.5 | -81.3 | 0 | 0 | 0 | 112.3 | I25 L27 R32 I93 E94 | I25-Y30 HydrophobicContact CB-CE2 3.97Å; I25-Y30 HydrophobicContact CG2-CE2 4Å; L27-Y30 PolarHBondContact O-N 3.13Å; Y30-R32 PolarHBondContact O-N 3.41Å; Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y30-E94 HydrophobicContact CD1-CG 4.2Å; Y30-E94 HydrophobicContact CE1-CG 3.49Å; Y30-E94 VanDerWaalsContact CE1-CG 3.49Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.43Å |
| 31 | M | 96.6 | Very high | 96.7 | Very high | 142 Ų | 142 | 82 Ų | 82 | 70% | 0.7 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 7.1 | -178.3 | -60 | -173.4 | -66.7 | 0 | 0 | 113.9 | L27 I33 | L27-M31 HydrophobicContact CB-CE 4.03Å; L27-M31 PolarHBondContact O-N 3.44Å; L27-M31 VanDerWaalsContact O-N 3.12Å; M31-I33 PolarHBondContact O-N 3.29Å |
| 32 | R | 96.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 75.5 Ų | 75.5 | 39% | 0.389 | 39% | 0.39 | S | S | . | . | trans | -71.8 | 125.2 | 176.3 | -73.7 | 178.1 | 177.5 | -141.7 | -8.8 | 110.2 | S28 Y30 Y34 | S28-R32 VanDerWaalsContact O-CG 3.29Å; S28-R32 WeakPolarHBondContact O-CG 3.43Å; Y30-R32 PolarHBondContact O-N 3.41Å; R32-Y34 HydrophobicContact CB-CE2 3.81Å; R32-Y34 WeakPolarHBondContact O-CD2 3.4Å | ||
| 33 | I | 97.2 | Very high | 96.9 | Very high | 123 Ų | 123 | 75 Ų | 75 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | -84.5 | 122.5 | 177.3 | -57.3 | 170.5 | 0 | 0 | 0 | 108.6 | M31 R35 H98 | M31-I33 PolarHBondContact O-N 3.29Å; I33-R35 HydrophobicContact CG2-CG 4.42Å; I33-H98 PolarHBondContact O-CE1 3.1Å; I33-H98 PolarHBondContact O-NE2 3.25Å | ||
| 34 | Y | 97.8 | Very high | 97 | Very high | 18 Ų | 18 | 73.4 Ų | 73.4 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | trans | -112.1 | 136.2 | 173 | -64.5 | -77.9 | 0 | 0 | 0 | 109.8 | R32 V40 V72 I93 V96 H98 | R32-Y34 HydrophobicContact CB-CE2 3.81Å; R32-Y34 WeakPolarHBondContact O-CD2 3.4Å; Y34-V40 HydrophobicContact CD1-CG1 3.76Å; Y34-V40 HydrophobicContact CE1-CG1 3.76Å; Y34-V72 HydrophobicContact CD2-CG2 3.92Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; Y34-I93 HydrophobicContact CD2-CG2 4.1Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; Y34-V96 HydrophobicContact CE1-CG1 3.85Å; Y34-V96 VanDerWaalsContact OH-C 3.3Å; Y34-V96 PolarHBondContact OH-O 3.03Å; Y34-H98 AromaticContact CD1-CE1 3.33Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y34-H98 AromaticContact CD1-NE2 3.41Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.28Å; Y34-H98 AromaticContact CE1-CE1 3.27Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.37Å; Y34-H98 AromaticContact CE1-ND1 3.59Å; Y34-H98 AromaticContact CE1-NE2 3.68Å | ||
| 35 | R | 97.5 | Very high | 97 | Very high | 175 Ų | 175 | 68 Ų | 68 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | trans | -118.5 | 158.9 | 177.3 | -60.8 | -178.2 | 179.8 | -173 | -0.7 | 110.5 | I33 G37 D38 V64 | I33-R35 HydrophobicContact CG2-CG 4.42Å; R35-G37 PolarHBondContact O-N 3.44Å; R35-D38 WeakPolarHBondContact CA-OD2 3.26Å; R35-D38 WeakPolarHBondContact CB-OD2 3.4Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.47Å; R35-D38 PolarHBondContact O-N 3.46Å; R35-V64 WeakPolarHBondContact O-CB 3.33Å; R35-V64 WeakPolarHBondContact O-CG1 3.37Å | ||
| 36 | K | 97.9 | Very high | 97 | Very high | 151 Ų | 151 | 68.2 Ų | 68.2 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.2 | 172.9 | -71.8 | -176.5 | 178.8 | 174.9 | 0 | 109.2 | Y65 V67 | K36-Y65 WeakPolarHBondContact CE-O 3.37Å; K36-V67 HydrophobicContact CG-CG2 4.49Å |
| 37 | G | 96.7 | Very high | 97 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R35 R63 V64 | R35-G37 PolarHBondContact O-N 3.44Å; G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.36Å; G37-R63 PolarHBondContact O-NE 2.93Å; G37-V64 PolarHBondContact N-O 2.98Å |
| 38 | D | 97.6 | Very high | 97 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | -65.3 | 147.5 | 176.1 | -68.7 | -16.3 | 0 | 0 | 0 | 111.5 | R35 R63 V64 H98 | R35-D38 WeakPolarHBondContact CA-OD2 3.26Å; R35-D38 WeakPolarHBondContact CB-OD2 3.4Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.47Å; R35-D38 PolarHBondContact O-N 3.46Å; D38-R63 WeakPolarHBondContact O-CA 3.46Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.29Å; D38-H98 IonicContact OD2-NE2 3.79Å | ||
| 39 | I | 97.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.6 | 175.6 | -58 | -175.4 | 0 | 0 | 0 | 108.6 | T61 G62 S99 R102 | I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; I39-G62 WeakPolarHBondContact CA-O 3.47Å; I39-S99 PolarHBondContact O-N 2.91Å; I39-R102 HydrophobicContact CB-CB 4.4Å; I39-R102 HydrophobicContact CD1-CB 4.15Å; I39-R102 HydrophobicContact CD1-CG 4.18Å |
| 40 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.6 | -173 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | Y34 T61 G62 V64 I74 V96 K97 | Y34-V40 HydrophobicContact CD1-CG1 3.76Å; Y34-V40 HydrophobicContact CE1-CG1 3.76Å; V40-T61 CarbonylContact O-C 3.5Å; V40-T61 WeakPolarHBondContact O-CA 3.14Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; V40-G62 PolarHBondContact N-O 3.19Å; V40-G62 PolarHBondContact O-N 3.11Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V40-I74 HydrophobicContact CG2-CD1 3.72Å; V40-I74 HydrophobicContact CG2-CG1 3.91Å; V40-I74 HydrophobicContact CG2-CG2 3.94Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.85Å; V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CA-O 3.33Å; V40-K97 WeakPolarHBondContact CB-O 3.13Å |
| 41 | D | 98.1 | Very high | 97 | Very high | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.7 | 174.7 | -60.4 | -35.4 | 0 | 0 | 0 | 109.9 | T61 K97 S99 | D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T61 PolarHBondContact OD1-OG1 2.91Å; D41-K97 PolarHBondContact N-O 2.86Å; D41-K97 PolarHBondContact O-N 3.41Å; D41-S99 WeakPolarHBondContact OD1-CB 3.48Å; D41-S99 PolarHBondContact OD1-OG 2.88Å; D41-S99 WeakPolarHBondContact OD2-CA 3.27Å; D41-S99 WeakPolarHBondContact OD2-CB 3.33Å; D41-S99 PolarHBondContact OD2-OG 3.13Å; D41-S99 VanDerWaalsContact OD2-OG 3.14Å |
| 42 | I | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.2 | -178.2 | -60.4 | 162 | 0 | 0 | 0 | 109.4 | P53 Y57 G59 K60 I74 V76 I89 | I42-P53 HydrophobicContact CG2-CB 3.81Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; I42-Y57 WeakPolarHBondContact CB-O 3.48Å; I42-Y57 WeakPolarHBondContact CG2-O 3.47Å; I42-G59 PolarHBondContact O-N 3.32Å; I42-K60 WeakPolarHBondContact CB-O 3.4Å; I42-K60 PolarHBondContact N-O 3.44Å; I42-I74 HydrophobicContact CD1-CD1 4.22Å; I42-I74 HydrophobicContact CD1-CG2 4.39Å; I42-I74 HydrophobicContact CG1-CD1 3.96Å; I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; I42-I89 HydrophobicContact CD1-CD1 3.76Å |
| 43 | K | 97.4 | Very high | 97.1 | Very high | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | trans | -135 | 99.5 | 174.3 | -173.5 | 166.6 | -175.4 | 166.6 | 0 | 109.9 | H95 | K43-H95 CarbonylContact C-O 3.57Å; K43-H95 PolarHBondContact N-O 3.31Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.32Å; K43-H95 WeakPolarHBondContact O-CA 3.37Å | ||
| 44 | G | 95.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | trans | -59.6 | 136.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H58 | G44-H58 PolarHBondContact N-ND1 3.46Š| ||
| 45 | T | 95.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | trans | -114.2 | 135.9 | 175 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | R17 I25 T47 M52 E94 H95 | R17-T45 PolarHBondContact NH1-OG1 3.48Å; I25-T45 HydrophobicContact CD1-CG2 3.96Å; T45-T47 VanDerWaalsContact C-N 3.27Å; T45-T47 PolarHBondContact O-N 3.42Å; T45-M52 WeakPolarHBondContact O-CE 3.47Å; T45-E94 HydrophobicContact CG2-CB 4.19Å; T45-H95 VanDerWaalsContact CG2-ND1 3.34Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.49Å; T45-H95 PolarHBondContact N-ND1 2.81Å; T45-H95 PolarHBondContact O-CE1 3.35Å | ||
| 46 | G | 95 | Very high | 97.2 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | F15 I48 | F15-G46 WeakPolarHBondContact O-CA 3.25Å; F15-G46 PolarHBondContact O-N 2.93Å; F15-G46 VanDerWaalsContact O-N 3.14Å; G46-I48 PolarHBondContact O-N 3.5Å |
| 47 | T | 95.8 | Very high | 97.2 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -38.7 | -177 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | R17 I25 T45 | R17-T47 VanDerWaalsContact CD-OG1 3.28Å; R17-T47 WeakPolarHBondContact CD-OG1 3.4Å; I25-T47 HydrophobicContact CD1-CG2 4.46Å; I25-T47 HydrophobicContact CG1-CG2 4.25Å; T45-T47 VanDerWaalsContact C-N 3.27Å; T45-T47 PolarHBondContact O-N 3.42Å |
| 48 | I | 96.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 50 Ų | 50 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | trans | -110.2 | 122.3 | -178.5 | -59.4 | -60.8 | 0 | 0 | 0 | 108.3 | I25 G46 M52 E94 H95 | I25-I48 HydrophobicContact CD1-CD1 4.45Å; I25-I48 HydrophobicContact CD1-CG1 3.62Å; G46-I48 PolarHBondContact O-N 3.5Å; I48-M52 WeakPolarHBondContact O-CE 3.47Å; I48-E94 HydrophobicContact CG1-CB 4.26Å; I48-E94 HydrophobicContact CG1-CG 4.02Å; I48-H95 PolarHBondContact O-CE1 2.79Å; I48-H95 PolarHBondContact O-NE2 2.75Å | ||
| 49 | Q | 96.2 | Very high | 97.2 | Very high | 147 Ų | 147 | 50.5 Ų | 50.5 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | trans | -93 | -30.3 | -177 | -57.4 | -178.9 | 12.4 | 0 | 0 | 112.6 | M52 | Q49-M52 WeakPolarHBondContact O-CB 3.39Š| ||
| 50 | K | 97.4 | Very high | 97.2 | Very high | 166 Ų | 166 | 52.8 Ų | 52.8 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 135.5 | -178.7 | -66.6 | -171.4 | 176.7 | 180 | 0 | 110.9 | M52 R92 | K50-M52 PolarHBondContact O-N 2.94Å; K50-R92 WeakPolarHBondContact O-CD 3.44Å |
| 51 | G | 96.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 56 Ų | 56 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 23.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | R92 H95 | G51-R92 PolarHBondContact O-N 3.22Å; G51-H95 PolarHBondContact O-CD2 3.41Å |
| 52 | M | 97.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 17% | 0.172 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -66 | 133.7 | 174.8 | -176.5 | 177.8 | -70.6 | 0 | 0 | 110.5 | F15 T45 I48 Q49 K50 H95 | F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.83Å; F15-M52 HydrophobicContact CE1-SD 4.44Å; F15-M52 HydrophobicContact CE2-SD 3.81Å; F15-M52 HydrophobicContact CG-SD 4.15Å; F15-M52 HydrophobicContact CZ-CG 4.35Å; F15-M52 HydrophobicContact CZ-SD 4.12Å; T45-M52 WeakPolarHBondContact O-CE 3.47Å; I48-M52 WeakPolarHBondContact O-CE 3.47Å; Q49-M52 WeakPolarHBondContact O-CB 3.39Å; K50-M52 PolarHBondContact O-N 2.94Å; M52-H95 WeakPolarHBondContact CA-NE2 3.45Å |
| 53 | P | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.9 | 176.7 | 29.5 | -35.2 | 0 | 0 | 0 | 111 | F15 I42 V91 H95 | F15-P53 WeakPolarHBondContact CZ-O 3.46Å; I42-P53 HydrophobicContact CG2-CB 3.81Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; P53-V91 HydrophobicContact CB-CG1 4.41Å; P53-V91 HydrophobicContact CB-CG2 4.22Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; P53-H95 HydrophobicContact CG-CB 4.34Å |
| 54 | H | 98 | Very high | 97.2 | Very high | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 149.4 | 169 | -177.8 | -97.6 | 0 | 0 | 0 | 110.7 | C56 Y57 | H54-C56 PolarHBondContact ND1-N 3.07Å; H54-C56 PolarHBondContact ND1-SG 3.26Å; H54-C56 PolarHBondContact O-N 3.26Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 2.98Å |
| 55 | K | 97.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -52.7 | -30 | -176.3 | 59.5 | 175.6 | 175.3 | 177.3 | 0 | 115.5 | R9 T11 M14 F15 Y57 H58 | R9-K55 PolarHBondContact O-NZ 3.26Å; T11-K55 HydrophobicContact CG2-CB 3.85Å; T11-K55 HydrophobicContact CG2-CD 3.88Å; T11-K55 HydrophobicContact CG2-CG 4.4Å; M14-K55 HydrophobicContact CE-CB 3.25Å; M14-K55 HydrophobicContact SD-CB 4.03Å; F15-K55 HydrophobicContact CZ-CB 4.44Å; K55-Y57 PolarHBondContact O-N 3.23Å; K55-H58 PolarHBondContact O-N 3.23Å |
| 56 | C | 97.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -66.7 | -15.6 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | H54 | H54-C56 PolarHBondContact ND1-N 3.07Å; H54-C56 PolarHBondContact ND1-SG 3.26Å; H54-C56 PolarHBondContact O-N 3.26Å |
| 57 | Y | 98.2 | Very high | 97.6 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -102.8 | -3.8 | 178.5 | -55.6 | -63.7 | 0 | 0 | 0 | 112.8 | I42 H54 K55 G59 K60 V76 K78 I89 | I42-Y57 WeakPolarHBondContact CB-O 3.48Å; I42-Y57 WeakPolarHBondContact CG2-O 3.47Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 2.98Å; K55-Y57 PolarHBondContact O-N 3.23Å; Y57-G59 PolarHBondContact O-N 2.87Å; Y57-K60 WeakPolarHBondContact O-CB 3.14Å; Y57-K60 PolarHBondContact O-N 2.82Å; Y57-K60 VanDerWaalsContact O-N 3.13Å; Y57-V76 HydrophobicContact CD1-CB 4.26Å; Y57-V76 HydrophobicContact CD1-CG1 3.97Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K78 HydrophobicContact CE1-CG 4.45Å; Y57-I89 HydrophobicContact CD1-CD1 4.32Å; Y57-I89 HydrophobicContact CD2-CD1 4.06Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.45Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.95Å |
| 58 | H | 97.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 130.1 | 174.7 | -169.2 | 103.2 | 0 | 0 | 0 | 109.7 | M14 F15 G44 K55 K60 | M14-H58 HydrophobicContact CE-CB 4.21Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.87Å; M14-H58 VanDerWaalsContact O-CE1 3.29Å; M14-H58 HydrophobicContact SD-CB 3.79Å; F15-H58 AromaticContact CD1-ND1 3.98Å; F15-H58 AromaticContact CE1-ND1 3.73Å; G44-H58 PolarHBondContact N-ND1 3.46Å; K55-H58 PolarHBondContact O-N 3.23Å; H58-K60 PolarHBondContact O-N 2.92Å |
| 59 | G | 97.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 11.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I42 Y57 | I42-G59 PolarHBondContact O-N 3.32Å; Y57-G59 PolarHBondContact O-N 2.87Å |
| 60 | K | 97.8 | Very high | 97.7 | Very high | 104 Ų | 104 | 68 Ų | 68 | 45% | 0.452 | 35% | 0.352 | S | S | . | . | trans | -93.1 | 148 | 173.1 | -59.9 | -60.1 | -177.3 | -176.9 | 0 | 110.6 | I42 Y57 H58 V76 | I42-K60 WeakPolarHBondContact CB-O 3.4Å; I42-K60 PolarHBondContact N-O 3.44Å; Y57-K60 WeakPolarHBondContact O-CB 3.14Å; Y57-K60 PolarHBondContact O-N 2.82Å; Y57-K60 VanDerWaalsContact O-N 3.13Å; H58-K60 PolarHBondContact O-N 2.92Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.38Å | ||
| 61 | T | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.8 | 175 | -52 | 0 | 0 | 0 | 0 | 109.2 | I39 V40 D41 | I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; V40-T61 CarbonylContact O-C 3.5Å; V40-T61 WeakPolarHBondContact O-CA 3.14Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T61 PolarHBondContact OD1-OG1 2.91Å |
| 62 | G | 97.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -178.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I39 V40 I75 | I39-G62 WeakPolarHBondContact CA-O 3.47Å; V40-G62 PolarHBondContact N-O 3.19Å; V40-G62 PolarHBondContact O-N 3.11Å; G62-I75 CarbonylContact C-O 3.49Å; G62-I75 WeakPolarHBondContact CA-O 3.47Å |
| 63 | R | 98.3 | Very high | 97.9 | Very high | 157 Ų | 157 | 57.6 Ų | 57.6 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136 | 178.7 | -168 | 172 | -173.9 | -161.5 | -10.4 | 110.7 | G37 D38 Y65 I74 I75 | G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.36Å; G37-R63 PolarHBondContact O-NE 2.93Å; D38-R63 WeakPolarHBondContact O-CA 3.46Å; R63-Y65 PolarHBondContact O-N 3.24Å; R63-I74 WeakPolarHBondContact O-CA 3.18Å; R63-I75 PolarHBondContact N-O 2.84Å; R63-I75 PolarHBondContact O-N 2.85Å |
| 64 | V | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.6 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | R35 G37 D38 V40 V67 V72 G73 | R35-V64 WeakPolarHBondContact O-CB 3.33Å; R35-V64 WeakPolarHBondContact O-CG1 3.37Å; G37-V64 PolarHBondContact N-O 2.98Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.29Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V64-V67 HydrophobicContact CG1-CG2 3.79Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.39Å; V64-V72 HydrophobicContact CG2-CG1 3.48Å; V64-V72 VanDerWaalsContact CG2-CG1 3.48Å; V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.38Å |
| 65 | Y | 98.3 | Very high | 97.9 | Very high | 70 Ų | 70 | 56 Ų | 56 | 28% | 0.275 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -30.3 | 174 | 80.7 | -88.3 | 0 | 0 | 0 | 112.7 | K36 R63 G73 I75 R88 N90 | K36-Y65 WeakPolarHBondContact CE-O 3.37Å; R63-Y65 PolarHBondContact O-N 3.24Å; Y65-G73 WeakPolarHBondContact CD1-O 3.35Å; Y65-G73 PolarHBondContact N-O 3.12Å; Y65-I75 HydrophobicContact CD1-CD1 4.47Å; Y65-I75 HydrophobicContact CD1-CG1 3.79Å; Y65-I75 HydrophobicContact CG-CD1 4.28Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; Y65-R88 HydrophobicContact CD1-CG 4.29Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.97Å; Y65-N90 PolarHBondContact OH-OD1 3.14Å |
| 66 | N | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151 | 179.4 | -167.3 | 31 | 0 | 0 | 0 | 110.9 | G73 | N66-G73 PolarHBondContact N-O 3.32Å; N66-G73 PolarHBondContact O-N 3.26Å |
| 67 | V | 98.1 | Very high | 98 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.7 | 177 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | K36 V64 | K36-V67 HydrophobicContact CG-CG2 4.49Å; V64-V67 HydrophobicContact CG1-CG2 3.79Å |
| 68 | T | 97.4 | Very high | 97.9 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | trans | -123.4 | 176.7 | 176.8 | 70 | 0 | 0 | 0 | 0 | 109.8 | H70 A71 | T68-H70 PolarHBondContact O-N 3.15Å; T68-H70 VanDerWaalsContact O-N 3.12Å; T68-A71 PolarHBondContact N-O 3.13Å; T68-A71 PolarHBondContact OG1-N 3.42Å; T68-A71 PolarHBondContact OG1-O 3.48Å; T68-A71 VanDerWaalsContact OG1-O 3.09Å | ||
| 69 | Q | 97.3 | Very high | 97.9 | Very high | 172 Ų | 172 | 62.8 Ų | 62.8 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -52.8 | -37.4 | -173.9 | -167.9 | -175.8 | -1.7 | 0 | 0 | 114.4 | ||
| 70 | H | 96.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 44% | 0.44 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -130.7 | 0.4 | -175.8 | -56.3 | -47.9 | 0 | 0 | 0 | 114 | T68 I93 | T68-H70 PolarHBondContact O-N 3.15Å; T68-H70 VanDerWaalsContact O-N 3.12Å; H70-I93 PolarHBondContact O-N 2.85Å |
| 71 | A | 97.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T68 V91 R92 | T68-A71 PolarHBondContact N-O 3.13Å; T68-A71 PolarHBondContact OG1-N 3.42Å; T68-A71 PolarHBondContact OG1-O 3.48Å; T68-A71 VanDerWaalsContact OG1-O 3.09Å; A71-V91 WeakPolarHBondContact CA-O 3.41Å; A71-V91 WeakPolarHBondContact CB-O 3.43Å; A71-R92 HydrophobicContact CB-CG 4.19Å |
| 72 | V | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.2 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | Y34 V64 I74 V91 I93 | Y34-V72 HydrophobicContact CD2-CG2 3.92Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.39Å; V64-V72 HydrophobicContact CG2-CG1 3.48Å; V64-V72 VanDerWaalsContact CG2-CG1 3.48Å; V72-I74 HydrophobicContact CB-CG1 4.47Å; V72-I74 HydrophobicContact CG1-CG1 4.06Å; V72-V91 PolarHBondContact N-O 3.44Å; V72-V91 PolarHBondContact O-N 2.84Å; V72-I93 HydrophobicContact CG2-CG2 3.98Å |
| 73 | G | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | V64 Y65 N66 I89 | V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.38Å; Y65-G73 WeakPolarHBondContact CD1-O 3.35Å; Y65-G73 PolarHBondContact N-O 3.12Å; N66-G73 PolarHBondContact N-O 3.32Å; N66-G73 PolarHBondContact O-N 3.26Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.41Å |
| 74 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.2 | -175.1 | -51.9 | 166.9 | 0 | 0 | 0 | 109.5 | V40 I42 R63 V72 V76 R88 I89 V91 V96 | V40-I74 HydrophobicContact CG2-CD1 3.72Å; V40-I74 HydrophobicContact CG2-CG1 3.91Å; V40-I74 HydrophobicContact CG2-CG2 3.94Å; I42-I74 HydrophobicContact CD1-CD1 4.22Å; I42-I74 HydrophobicContact CD1-CG2 4.39Å; I42-I74 HydrophobicContact CG1-CD1 3.96Å; R63-I74 WeakPolarHBondContact O-CA 3.18Å; V72-I74 HydrophobicContact CB-CG1 4.47Å; V72-I74 HydrophobicContact CG1-CG1 4.06Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.63Å; I74-R88 WeakPolarHBondContact O-CA 3.5Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 2.87Å; I74-I89 WeakPolarHBondContact O-CG1 3.41Å; I74-I89 PolarHBondContact O-N 2.61Å; I74-V91 HydrophobicContact CD1-CB 4.2Å; I74-V91 HydrophobicContact CD1-CG2 4.33Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.77Å |
| 75 | I | 98.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 74.3 Ų | 74.3 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.3 | 166.4 | -62.3 | 167.6 | 0 | 0 | 0 | 107.8 | G62 R63 Y65 A86 K87 R88 | G62-I75 CarbonylContact C-O 3.49Å; G62-I75 WeakPolarHBondContact CA-O 3.47Å; R63-I75 PolarHBondContact N-O 2.84Å; R63-I75 PolarHBondContact O-N 2.85Å; Y65-I75 HydrophobicContact CD1-CD1 4.47Å; Y65-I75 HydrophobicContact CD1-CG1 3.79Å; Y65-I75 HydrophobicContact CG-CD1 4.28Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; I75-A86 HydrophobicContact CG2-CB 3.93Å; I75-K87 WeakPolarHBondContact CA-O 3.48Å; I75-R88 HydrophobicContact CG1-CG 3.91Å |
| 76 | V | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136 | -179.1 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | I42 Y57 K60 I74 K78 K87 I89 | I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; Y57-V76 HydrophobicContact CD1-CB 4.26Å; Y57-V76 HydrophobicContact CD1-CG1 3.97Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.38Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.63Å; V76-K78 PolarHBondContact O-N 3.44Å; V76-K87 PolarHBondContact N-O 3.38Å; V76-K87 PolarHBondContact O-N 3.36Å; V76-I89 HydrophobicContact CG2-CD1 3.8Å; V76-I89 HydrophobicContact CG2-CG1 4.13Å |
| 77 | N | 97.9 | Very high | 97.6 | Very high | 107 Ų | 107 | 75.6 Ų | 75.6 | 57% | 0.572 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.9 | 174.1 | -70.7 | -19.2 | 0 | 0 | 0 | 110.3 | I84 | N77-I84 HydrophobicContact CB-CG2 3.76Å |
| 78 | K | 97.5 | Very high | 97.6 | Very high | 69 Ų | 69 | 81.3 Ų | 81.3 | 30% | 0.3 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.8 | 176.1 | -174.9 | -179.2 | 177.3 | 179 | 0 | 109.7 | Y57 V76 V80 L85 K87 | Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K78 HydrophobicContact CE1-CG 4.45Å; V76-K78 PolarHBondContact O-N 3.44Å; K78-V80 HydrophobicContact CD-CG2 4.26Å; K78-V80 HydrophobicContact CG-CG2 4.19Å; K78-V80 PolarHBondContact O-N 3.01Å; K78-L85 PolarHBondContact N-O 3.25Å; K78-L85 PolarHBondContact O-N 3.3Å; K78-K87 HydrophobicContact CB-CG 4.06Å |
| 79 | Q | 97.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 79.1 Ų | 79.1 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.8 | 168.2 | -171.2 | 175.2 | -3.1 | 0 | 0 | 109.9 | K81 K83 I84 | Q79-K81 WeakPolarHBondContact CG-O 3.45Å; Q79-K81 PolarHBondContact NE2-O 2.93Å; Q79-K83 WeakPolarHBondContact CA-O 3.44Å; Q79-I84 HydrophobicContact CB-CG1 4.46Å |
| 80 | V | 96.9 | Very high | 97.7 | Very high | 57 Ų | 57 | 76.2 Ų | 76.2 | 35% | 0.345 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 99.4 | 175 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | K78 G82 K83 L85 | K78-V80 HydrophobicContact CD-CG2 4.26Å; K78-V80 HydrophobicContact CG-CG2 4.19Å; K78-V80 PolarHBondContact O-N 3.01Å; V80-G82 PolarHBondContact O-N 2.82Å; V80-K83 PolarHBondContact N-O 2.89Å; V80-K83 PolarHBondContact O-N 2.92Å; V80-L85 HydrophobicContact CB-CD1 4.3Å; V80-L85 HydrophobicContact CG2-CD1 4.02Å |
| 81 | K | 95.4 | Very high | 97.8 | Very high | 199 Ų | 199 | 71.7 Ų | 71.7 | 87% | 0.865 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -117.9 | -171.4 | -55.2 | -179.8 | 178.1 | -176.4 | 0 | 110.1 | Q79 | Q79-K81 WeakPolarHBondContact CG-O 3.45Å; Q79-K81 PolarHBondContact NE2-O 2.93Å |
| 82 | G | 96.6 | Very high | 97.8 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 86% | 0.856 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.4 | V80 | V80-G82 PolarHBondContact O-N 2.82Š|
| 83 | K | 97.6 | Very high | 97.7 | Very high | 134 Ų | 134 | 75 Ų | 75 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 147 | -176.7 | 64.3 | -176.8 | 177.8 | -174.7 | 0 | 113.6 | Q79 V80 L85 | Q79-K83 WeakPolarHBondContact CA-O 3.44Å; V80-K83 PolarHBondContact N-O 2.89Å; V80-K83 PolarHBondContact O-N 2.92Å; K83-L85 HydrophobicContact CD-CD2 4.01Å; K83-L85 HydrophobicContact CG-CD2 4.16Å; K83-L85 HydrophobicContact CG-CG 4.32Å |
| 84 | I | 97.8 | Very high | 97.7 | Very high | 120 Ų | 120 | 75.4 Ų | 75.4 | 62% | 0.615 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.9 | 174.2 | -59.4 | 175.3 | 0 | 0 | 0 | 108.6 | N77 Q79 | N77-I84 HydrophobicContact CB-CG2 3.76Å; Q79-I84 HydrophobicContact CB-CG1 4.46Å |
| 85 | L | 97.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 75.5 Ų | 75.5 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131 | 179 | -60.2 | -179.1 | 0 | 0 | 0 | 110.2 | K78 V80 K83 K87 | K78-L85 PolarHBondContact N-O 3.25Å; K78-L85 PolarHBondContact O-N 3.3Å; V80-L85 HydrophobicContact CB-CD1 4.3Å; V80-L85 HydrophobicContact CG2-CD1 4.02Å; K83-L85 HydrophobicContact CD-CD2 4.01Å; K83-L85 HydrophobicContact CG-CD2 4.16Å; K83-L85 HydrophobicContact CG-CG 4.32Å; L85-K87 HydrophobicContact CB-CD 4.43Å; L85-K87 HydrophobicContact CB-CG 4.41Å; L85-K87 PolarHBondContact O-N 3.39Å |
| 86 | A | 97.8 | Very high | 97.6 | Very high | 71 Ų | 71 | 72.9 Ų | 72.9 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 106 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I75 | I75-A86 HydrophobicContact CG2-CB 3.93Å |
| 87 | K | 98.2 | Very high | 97.6 | Very high | 83 Ų | 83 | 77.5 Ų | 77.5 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.7 | -179.7 | -66.8 | -63.7 | -174.2 | -178.2 | 0 | 110.1 | I75 V76 K78 L85 | I75-K87 WeakPolarHBondContact CA-O 3.48Å; V76-K87 PolarHBondContact N-O 3.38Å; V76-K87 PolarHBondContact O-N 3.36Å; K78-K87 HydrophobicContact CB-CG 4.06Å; L85-K87 HydrophobicContact CB-CD 4.43Å; L85-K87 HydrophobicContact CB-CG 4.41Å; L85-K87 PolarHBondContact O-N 3.39Å |
| 88 | R | 98.3 | Very high | 97.5 | Very high | 181 Ų | 181 | 75.4 Ų | 75.4 | 68% | 0.683 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.3 | 171.3 | -69.5 | 175.7 | -177.9 | 176.5 | 0.6 | 109.3 | Y65 I74 I75 | Y65-R88 HydrophobicContact CD1-CG 4.29Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.97Å; I74-R88 WeakPolarHBondContact O-CA 3.5Å; I75-R88 HydrophobicContact CG1-CG 3.91Å |
| 89 | I | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.6 | 176.7 | 59.4 | 172.2 | 0 | 0 | 0 | 110.3 | I42 Y57 G73 I74 V76 V91 | I42-I89 HydrophobicContact CD1-CD1 3.76Å; Y57-I89 HydrophobicContact CD1-CD1 4.32Å; Y57-I89 HydrophobicContact CD2-CD1 4.06Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.45Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.95Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.41Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 2.87Å; I74-I89 WeakPolarHBondContact O-CG1 3.41Å; I74-I89 PolarHBondContact O-N 2.61Å; V76-I89 HydrophobicContact CG2-CD1 3.8Å; V76-I89 HydrophobicContact CG2-CG1 4.13Å; I89-V91 HydrophobicContact CB-CG2 4.38Å; I89-V91 HydrophobicContact CD1-CG2 3.63Å; I89-V91 HydrophobicContact CG1-CG2 3.89Å |
| 90 | N | 98.2 | Very high | 97.4 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.6 | 172.5 | -64.8 | -34.8 | 0 | 0 | 0 | 108.6 | Y65 | Y65-N90 PolarHBondContact OH-OD1 3.14Å |
| 91 | V | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.5 | -174.6 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | P53 A71 V72 I74 I89 H95 V96 | P53-V91 HydrophobicContact CB-CG1 4.41Å; P53-V91 HydrophobicContact CB-CG2 4.22Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; A71-V91 WeakPolarHBondContact CA-O 3.41Å; A71-V91 WeakPolarHBondContact CB-O 3.43Å; V72-V91 PolarHBondContact N-O 3.44Å; V72-V91 PolarHBondContact O-N 2.84Å; I74-V91 HydrophobicContact CD1-CB 4.2Å; I74-V91 HydrophobicContact CD1-CG2 4.33Å; I89-V91 HydrophobicContact CB-CG2 4.38Å; I89-V91 HydrophobicContact CD1-CG2 3.63Å; I89-V91 HydrophobicContact CG1-CG2 3.89Å; V91-H95 HydrophobicContact CG1-CB 3.59Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.68Å |
| 92 | R | 98.2 | Very high | 97.2 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 154.1 | 175.9 | -71.3 | -176.4 | 94.5 | -142 | 5.2 | 112.2 | K50 G51 A71 E94 H95 | K50-R92 WeakPolarHBondContact O-CD 3.44Å; G51-R92 PolarHBondContact O-N 3.22Å; A71-R92 HydrophobicContact CB-CG 4.19Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact CZ-OE1 3.97Å; R92-E94 IonicContact CZ-OE2 3.68Å; R92-E94 IonicContact NH1-OE1 3.35Å; R92-E94 PolarHBondContact NH1-OE1 3.34Å; R92-E94 IonicContact NH1-OE2 2.71Å; R92-E94 IonicContact NH2-OE1 3.69Å; R92-E94 PolarHBondContact O-N 2.91Å; R92-E94 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 3.25Å |
| 93 | I | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -58.6 | -27.8 | -173 | 57.5 | 178.4 | 0 | 0 | 0 | 114.1 | Y30 Y34 H70 V72 H95 V96 | Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y34-I93 HydrophobicContact CD2-CG2 4.1Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; H70-I93 PolarHBondContact O-N 2.85Å; V72-I93 HydrophobicContact CG2-CG2 3.98Å; I93-H95 PolarHBondContact O-N 3.15Å; I93-V96 PolarHBondContact O-N 3.38Å |
| 94 | E | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -67.1 | -20 | 179.1 | -53.4 | 95.4 | 142.3 | 0 | 0 | 112.9 | I25 Y30 T45 I48 R92 | I25-E94 HydrophobicContact CD1-CB 3.94Å; I25-E94 HydrophobicContact CD1-CG 4.05Å; Y30-E94 HydrophobicContact CD1-CG 4.2Å; Y30-E94 HydrophobicContact CE1-CG 3.49Å; Y30-E94 VanDerWaalsContact CE1-CG 3.49Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.43Å; T45-E94 HydrophobicContact CG2-CB 4.19Å; I48-E94 HydrophobicContact CG1-CB 4.26Å; I48-E94 HydrophobicContact CG1-CG 4.02Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact CZ-OE1 3.97Å; R92-E94 IonicContact CZ-OE2 3.68Å; R92-E94 IonicContact NH1-OE1 3.35Å; R92-E94 PolarHBondContact NH1-OE1 3.34Å; R92-E94 IonicContact NH1-OE2 2.71Å; R92-E94 IonicContact NH2-OE1 3.69Å; R92-E94 PolarHBondContact O-N 2.91Å; R92-E94 VanDerWaalsContact O-N 3.15Å |
| 95 | H | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -99.9 | 3.8 | 179.7 | -54.3 | -48.4 | 0 | 0 | 0 | 113.4 | K43 T45 I48 G51 M52 P53 V91 R92 I93 | K43-H95 CarbonylContact C-O 3.57Å; K43-H95 PolarHBondContact N-O 3.31Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.32Å; K43-H95 WeakPolarHBondContact O-CA 3.37Å; T45-H95 VanDerWaalsContact CG2-ND1 3.34Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.49Å; T45-H95 PolarHBondContact N-ND1 2.81Å; T45-H95 PolarHBondContact O-CE1 3.35Å; I48-H95 PolarHBondContact O-CE1 2.79Å; I48-H95 PolarHBondContact O-NE2 2.75Å; G51-H95 PolarHBondContact O-CD2 3.41Å; M52-H95 WeakPolarHBondContact CA-NE2 3.45Å; P53-H95 HydrophobicContact CG-CB 4.34Å; V91-H95 HydrophobicContact CG1-CB 3.59Å; R92-H95 PolarHBondContact O-N 3.25Å; I93-H95 PolarHBondContact O-N 3.15Å |
| 96 | V | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.6 | -172.3 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | Y34 V40 I74 V91 I93 | Y34-V96 HydrophobicContact CE1-CG1 3.85Å; Y34-V96 VanDerWaalsContact OH-C 3.3Å; Y34-V96 PolarHBondContact OH-O 3.03Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.85Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.77Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.68Å; I93-V96 PolarHBondContact O-N 3.38Å |
| 97 | K | 96.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.9 | 173.2 | -60.5 | -175.5 | -178 | -172.3 | 0 | 109.9 | V40 D41 | V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CA-O 3.33Å; V40-K97 WeakPolarHBondContact CB-O 3.13Å; D41-K97 PolarHBondContact N-O 2.86Å; D41-K97 PolarHBondContact O-N 3.41Å |
| 98 | H | 97.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 138.8 | 168.8 | -74.1 | 94 | 0 | 0 | 0 | 111.2 | I33 Y34 D38 | I33-H98 PolarHBondContact O-CE1 3.1Å; I33-H98 PolarHBondContact O-NE2 3.25Å; Y34-H98 AromaticContact CD1-CE1 3.33Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y34-H98 AromaticContact CD1-NE2 3.41Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.28Å; Y34-H98 AromaticContact CE1-CE1 3.27Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.37Å; Y34-H98 AromaticContact CE1-ND1 3.59Å; Y34-H98 AromaticContact CE1-NE2 3.68Å; D38-H98 IonicContact OD2-NE2 3.79Å |
| 99 | S | 96.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | trans | -86.3 | 121.5 | 176.8 | -166 | 0 | 0 | 0 | 0 | 111.2 | I39 D41 S101 R102 | I39-S99 PolarHBondContact O-N 2.91Å; D41-S99 WeakPolarHBondContact OD1-CB 3.48Å; D41-S99 PolarHBondContact OD1-OG 2.88Å; D41-S99 WeakPolarHBondContact OD2-CA 3.27Å; D41-S99 WeakPolarHBondContact OD2-CB 3.33Å; D41-S99 PolarHBondContact OD2-OG 3.13Å; D41-S99 VanDerWaalsContact OD2-OG 3.14Å; S99-S101 PolarHBondContact O-N 3.19Å; S99-S101 PolarHBondContact OG-OG 2.77Å; S99-R102 PolarHBondContact O-N 3.05Å | ||
| 100 | K | 95.6 | Very high | 96.6 | Very high | 175 Ų | 175 | 69.7 Ų | 69.7 | 76% | 0.761 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67 | -16 | 177.5 | -64.9 | -173.7 | 176.7 | -173.2 | 0 | 113.6 | R102 D103 S104 | K100-R102 PolarHBondContact O-N 3.2Å; K100-D103 PolarHBondContact O-N 3.38Å; K100-S104 PolarHBondContact O-N 3.37Å |
| 101 | S | 93.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | S99 S104 | S99-S101 PolarHBondContact O-N 3.19Å; S99-S101 PolarHBondContact OG-OG 2.77Å; S101-S104 PolarHBondContact O-OG 3.35Å |
| 102 | R | 95.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 39% | 0.389 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79 | -36.2 | 177.7 | -173.7 | 55.4 | 176.4 | -177.6 | 2.4 | 112 | I39 S99 K100 F105 L106 | I39-R102 HydrophobicContact CB-CB 4.4Å; I39-R102 HydrophobicContact CD1-CB 4.15Å; I39-R102 HydrophobicContact CD1-CG 4.18Å; S99-R102 PolarHBondContact O-N 3.05Å; K100-R102 PolarHBondContact O-N 3.2Å; R102-F105 WeakPolarHBondContact O-CB 3.44Å; R102-F105 PolarHBondContact O-N 3.21Å; R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.89Å |
| 103 | D | 94.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | -177.8 | -62.1 | -23.9 | 0 | 0 | 0 | 111.4 | K100 F105 L106 Q107 | K100-D103 PolarHBondContact O-N 3.38Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.81Å; D103-L106 PolarHBondContact O-N 2.94Å; D103-Q107 WeakPolarHBondContact O-CG 3.1Å; D103-Q107 PolarHBondContact O-N 2.9Å |
| 104 | S | 94 | Very high | 96.5 | Very high | 68 Ų | 68 | 78.5 Ų | 78.5 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 177.8 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | K100 S101 R108 | K100-S104 PolarHBondContact O-N 3.37Å; S101-S104 PolarHBondContact O-OG 3.35Å; S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 3.26Å; S104-R108 VanDerWaalsContact O-N 3.12Å |
| 105 | F | 96.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 173.6 | 174 | -93.8 | 0 | 0 | 0 | 111.6 | R102 D103 R108 V109 | R102-F105 WeakPolarHBondContact O-CB 3.44Å; R102-F105 PolarHBondContact O-N 3.21Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.81Å; F105-R108 PolarHBondContact O-N 3.09Å; F105-V109 HydrophobicContact CD1-CG2 4.08Å; F105-V109 HydrophobicContact CE1-CG2 3.58Å; F105-V109 HydrophobicContact CE2-CG2 4.13Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3Å |
| 106 | L | 96.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 88.2 Ų | 88.2 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -179.6 | -70.6 | 175.7 | 0 | 0 | 0 | 112.3 | R102 D103 R108 V109 K110 | R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.89Å; D103-L106 PolarHBondContact O-N 2.94Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-V109 PolarHBondContact O-N 2.96Å; L106-K110 WeakPolarHBondContact O-CG 3.17Å; L106-K110 PolarHBondContact O-N 2.82Å; L106-K110 VanDerWaalsContact O-N 3.11Å |
| 107 | Q | 96.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 91.5 Ų | 91.5 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58 | -47.7 | 173 | -74.5 | 173.5 | -15.2 | 0 | 0 | 110.8 | D103 V109 K110 E111 | D103-Q107 WeakPolarHBondContact O-CG 3.1Å; D103-Q107 PolarHBondContact O-N 2.9Å; Q107-V109 PolarHBondContact O-N 2.82Å; Q107-K110 PolarHBondContact O-N 2.68Å; Q107-E111 PolarHBondContact O-N 2.72Å |
| 108 | R | 96.9 | Very high | 96.4 | Very high | 68 Ų | 68 | 90.4 Ų | 90.4 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 177.4 | -176 | 169 | 60.5 | 90.4 | 1.3 | 113.5 | S104 F105 L106 K110 E111 N112 | S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 3.26Å; S104-R108 VanDerWaalsContact O-N 3.12Å; F105-R108 PolarHBondContact O-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.33Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-E111 PolarHBondContact O-N 3.07Å; R108-N112 VanDerWaalsContact O-CB 3.26Å; R108-N112 WeakPolarHBondContact O-CB 3.29Å; R108-N112 VanDerWaalsContact O-CG 3.28Å; R108-N112 PolarHBondContact O-N 3.11Å; R108-N112 PolarHBondContact O-OD1 3.4Å |
| 109 | V | 97.7 | Very high | 96.3 | Very high | 67 Ų | 67 | 88 Ų | 88 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 175 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | F105 L106 Q107 N112 E113 | F105-V109 HydrophobicContact CD1-CG2 4.08Å; F105-V109 HydrophobicContact CE1-CG2 3.58Å; F105-V109 HydrophobicContact CE2-CG2 4.13Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3Å; L106-V109 PolarHBondContact O-N 2.96Å; Q107-V109 PolarHBondContact O-N 2.82Å; V109-N112 PolarHBondContact O-N 3.14Å; V109-E113 PolarHBondContact O-N 3.29Å |
| 110 | K | 97.4 | Very high | 96.4 | Very high | 164 Ų | 164 | 96.4 Ų | 96.4 | 71% | 0.713 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 177.4 | -68.9 | 178.2 | 178.9 | -173.8 | 0 | 112 | L106 Q107 R108 E113 K114 | L106-K110 WeakPolarHBondContact O-CG 3.17Å; L106-K110 PolarHBondContact O-N 2.82Å; L106-K110 VanDerWaalsContact O-N 3.11Å; Q107-K110 PolarHBondContact O-N 2.68Å; R108-K110 VanDerWaalsContact C-N 3.34Å; K110-E113 PolarHBondContact O-N 3.47Å; K110-K114 PolarHBondContact O-N 3.12Å |
| 111 | E | 97.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.2 | -172.1 | -175 | 168.3 | 0 | 0 | 112 | Q107 R108 E113 K114 R115 | Q107-E111 PolarHBondContact O-N 2.72Å; R108-E111 PolarHBondContact O-N 3.07Å; E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.45Å; E111-K114 WeakPolarHBondContact O-CB 3.11Å; E111-K114 PolarHBondContact O-N 3.44Å; E111-R115 WeakPolarHBondContact O-CG 3.11Å; E111-R115 PolarHBondContact O-N 3.23Å |
| 112 | N | 97.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 99.4 Ų | 99.4 | 17% | 0.166 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.2 | -80.3 | 7.3 | 0 | 0 | 0 | 111.9 | R108 V109 R115 K116 L128 | R108-N112 VanDerWaalsContact O-CB 3.26Å; R108-N112 WeakPolarHBondContact O-CB 3.29Å; R108-N112 VanDerWaalsContact O-CG 3.28Å; R108-N112 PolarHBondContact O-N 3.11Å; R108-N112 PolarHBondContact O-OD1 3.4Å; V109-N112 PolarHBondContact O-N 3.14Å; N112-R115 PolarHBondContact O-N 3.25Å; N112-K116 WeakPolarHBondContact O-CB 3.14Å; N112-K116 PolarHBondContact O-N 3.15Å; N112-L128 HydrophobicContact CB-CD2 4.24Å; N112-L128 PolarHBondContact ND2-O 3.04Å |
| 113 | E | 97.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177 | -165.2 | 60.1 | -147.7 | 0 | 0 | 111.1 | V109 K110 E111 R115 K116 V117 | V109-E113 PolarHBondContact O-N 3.29Å; K110-E113 PolarHBondContact O-N 3.47Å; E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.45Å; E113-R115 PolarHBondContact O-N 3.34Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 3.21Å; E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 3.29Å |
| 114 | K | 97.2 | Very high | 96.7 | Very high | 140 Ų | 140 | 98.1 Ų | 98.1 | 61% | 0.609 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.2 | -50.4 | 174.4 | -171.5 | -176.3 | 178.7 | -167.4 | 0 | 111.5 | K110 E111 K116 V117 E118 | K110-K114 PolarHBondContact O-N 3.12Å; E111-K114 WeakPolarHBondContact O-CB 3.11Å; E111-K114 PolarHBondContact O-N 3.44Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 3.17Å; K114-V117 PolarHBondContact O-N 3.43Å; K114-E118 WeakPolarHBondContact CE-OE1 3.24Å; K114-E118 IonicContact NZ-OE1 3.98Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.19Å |
| 115 | R | 96.3 | Very high | 96.7 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 178.3 | -71.8 | 176.6 | 64.8 | -169.1 | -4.9 | 112.4 | E111 N112 E113 A119 E127 L128 | E111-R115 WeakPolarHBondContact O-CG 3.11Å; E111-R115 PolarHBondContact O-N 3.23Å; N112-R115 PolarHBondContact O-N 3.25Å; E113-R115 PolarHBondContact O-N 3.34Å; R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.09Å; R115-E127 PolarHBondContact NH2-O 2.97Å; R115-L128 HydrophobicContact CB-CD2 4.17Å |
| 116 | K | 96.9 | Very high | 96.7 | Very high | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 177.7 | -175.5 | -176.1 | 176.5 | -169 | 0 | 111.9 | N112 E113 K114 K120 L128 | N112-K116 WeakPolarHBondContact O-CB 3.14Å; N112-K116 PolarHBondContact O-N 3.15Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 3.17Å; K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 3.06Å; K116-L128 HydrophobicContact CB-CD1 4.31Å |
| 117 | V | 97.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 177 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | E113 K114 A119 K120 Q121 | E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 3.29Å; K114-V117 PolarHBondContact O-N 3.43Å; V117-A119 PolarHBondContact O-N 3.04Å; V117-K120 PolarHBondContact O-N 3.19Å; V117-Q121 WeakPolarHBondContact O-CG 3.4Å; V117-Q121 PolarHBondContact O-N 2.87Å |
| 118 | E | 96.9 | Very high | 96.7 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.4 | -71.4 | 174.2 | -175.7 | 0 | 0 | 112.5 | K114 Q121 K122 | K114-E118 WeakPolarHBondContact CE-OE1 3.24Å; K114-E118 IonicContact NZ-OE1 3.98Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.19Å; E118-Q121 PolarHBondContact O-N 3.41Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.33Å |
| 119 | A | 96.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 103.9 Ų | 103.9 | 9% | 0.091 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R115 V117 Q121 K122 G123 T124 V126 | R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.09Å; V117-A119 PolarHBondContact O-N 3.04Å; A119-Q121 PolarHBondContact O-N 3.4Å; A119-K122 PolarHBondContact O-N 3.31Å; A119-G123 PolarHBondContact O-N 3.37Å; A119-T124 WeakPolarHBondContact CB-O 3.37Å; A119-T124 PolarHBondContact O-N 3.45Å; A119-V126 HydrophobicContact CB-CB 4.19Å; A119-V126 HydrophobicContact CB-CG2 3.62Å |
| 120 | K | 96.7 | Very high | 96.5 | Very high | 186 Ų | 186 | 109.6 Ų | 109.6 | 81% | 0.809 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 175.9 | -172.7 | 177.3 | -179.3 | -177.3 | 0 | 112.1 | K116 V117 G123 | K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 3.06Å; V117-K120 PolarHBondContact O-N 3.19Å; K120-G123 PolarHBondContact O-N 3.44Å |
| 121 | Q | 96.8 | Very high | 96.5 | Very high | 155 Ų | 155 | 108.4 Ų | 108.4 | 72% | 0.724 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 176.9 | -73 | 174.7 | -11.9 | 0 | 0 | 112.4 | V117 E118 A119 | V117-Q121 WeakPolarHBondContact O-CG 3.4Å; V117-Q121 PolarHBondContact O-N 2.87Å; E118-Q121 PolarHBondContact O-N 3.41Å; A119-Q121 PolarHBondContact O-N 3.4Å |
| 122 | K | 96.9 | Very high | 96.4 | Very high | 159 Ų | 159 | 108.2 Ų | 108.2 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -81.9 | -11.3 | 178.8 | -68.2 | 177 | -179.6 | 178 | 0 | 113.8 | E118 A119 T124 | E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.33Å; A119-K122 PolarHBondContact O-N 3.31Å; K122-T124 HydrophobicContact CB-CG2 4.29Å; K122-T124 PolarHBondContact O-N 2.71Å |
| 123 | G | 95.5 | Very high | 96.4 | Very high | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 16.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A119 K120 | A119-G123 PolarHBondContact O-N 3.37Å; K120-G123 PolarHBondContact O-N 3.44Å |
| 124 | T | 96.3 | Very high | 96.3 | Very high | 82 Ų | 82 | 112.2 Ų | 112.2 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -98.5 | 151.9 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | A119 K122 | A119-T124 WeakPolarHBondContact CB-O 3.37Å; A119-T124 PolarHBondContact O-N 3.45Å; K122-T124 HydrophobicContact CB-CG2 4.29Å; K122-T124 PolarHBondContact O-N 2.71Å | ||
| 125 | W | 94.9 | Very high | 96.3 | Very high | 202 Ų | 202 | 111.2 Ų | 111.2 | 77% | 0.765 | 57% | 0.567 | S | S | * | * | trans | -90.5 | 141.8 | 172.7 | -178 | 90 | 0 | 0 | 0 | 110.8 | E127 | W125-E127 HydrophobicContact CH2-CB 3.71Å; W125-E127 HydrophobicContact CH2-CG 4.36Å; W125-E127 VanDerWaalsContact CH2-OE2 3.25Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.28Å; W125-E127 HydrophobicContact CZ2-CB 4.48Å; W125-E127 HydrophobicContact CZ3-CB 3.98Å | ||
| 126 | V | 96 | Very high | 96.3 | Very high | 47 Ų | 47 | 118 Ų | 118 | 29% | 0.285 | 59% | 0.593 | S | S | . | * | trans | -136 | 130.1 | -179.3 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | A119 L128 | A119-V126 HydrophobicContact CB-CB 4.19Å; A119-V126 HydrophobicContact CB-CG2 3.62Å; V126-L128 HydrophobicContact CG1-CD2 4.29Å | ||
| 127 | E | 95.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 119.2 Ų | 119.2 | 36% | 0.36 | 61% | 0.605 | S | S | . | * | trans | -74.3 | 124 | 171.4 | -174.8 | 56.9 | -109.8 | 0 | 0 | 110.7 | R115 W125 K129 | R115-E127 PolarHBondContact NH2-O 2.97Å; W125-E127 HydrophobicContact CH2-CB 3.71Å; W125-E127 HydrophobicContact CH2-CG 4.36Å; W125-E127 VanDerWaalsContact CH2-OE2 3.25Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.28Å; W125-E127 HydrophobicContact CZ2-CB 4.48Å; W125-E127 HydrophobicContact CZ3-CB 3.98Å; E127-K129 VanDerWaalsContact OE1-CB 3.24Å; E127-K129 WeakPolarHBondContact OE1-CB 3.08Å; E127-K129 WeakPolarHBondContact OE1-CG 3.45Å; E127-K129 PolarHBondContact OE1-N 3.12Å | ||
| 128 | L | 96.1 | Very high | 96.3 | Very high | 56 Ų | 56 | 121.1 Ų | 121.1 | 29% | 0.293 | 63% | 0.628 | S | S | . | * | trans | -107.6 | -14.4 | -178.1 | -64.8 | 176.2 | 0 | 0 | 0 | 112.9 | N112 R115 K116 V126 | N112-L128 HydrophobicContact CB-CD2 4.24Å; N112-L128 PolarHBondContact ND2-O 3.04Å; R115-L128 HydrophobicContact CB-CD2 4.17Å; K116-L128 HydrophobicContact CB-CD1 4.31Å; V126-L128 HydrophobicContact CG1-CD2 4.29Å | ||
| 129 | K | 96.3 | Very high | 96.3 | Very high | 162 Ų | 162 | 127.1 Ų | 127.1 | 70% | 0.704 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -76.8 | 148.6 | 176.7 | -63.1 | 177.6 | -179 | 172.8 | 0 | 109.6 | E127 | E127-K129 VanDerWaalsContact OE1-CB 3.24Å; E127-K129 WeakPolarHBondContact OE1-CB 3.08Å; E127-K129 WeakPolarHBondContact OE1-CG 3.45Å; E127-K129 PolarHBondContact OE1-N 3.12Å |
| 130 | R | 95.7 | Very high | 96.2 | Very high | 186 Ų | 186 | 136.8 Ų | 136.8 | 70% | 0.702 | 69% | 0.688 | S | S | * | * | trans | -78.9 | 139.7 | 172.8 | -64.2 | 179.6 | -64.4 | 173.3 | 3.9 | 108.5 | ||||
| 131 | Q | 95.5 | Very high | 96.1 | Very high | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | trans | -105 | 148.2 | 170.7 | -62.1 | -58.7 | -22.2 | 0 | 0 | 109.9 | ||||
| 132 | P | 96.9 | Very high | 96 | Very high | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 167 | 166.4 | 30.4 | -34.5 | 0 | 0 | 0 | 110.2 | A134 | P132-A134 PolarHBondContact O-N 3.47Å; P132-A134 VanDerWaalsContact O-N 3.13Å |
| 133 | T | 96.7 | Very high | 95.9 | Very high | 145 Ų | 145 | 126.6 Ų | 126.6 | 89% | 0.89 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 119.5 | 173.5 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 134 | A | 95.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 132.4 Ų | 132.4 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 161 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P132 | P132-A134 PolarHBondContact O-N 3.47Å; P132-A134 VanDerWaalsContact O-N 3.13Å |
| 135 | P | 97.6 | Very high | 95.6 | Very high | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 147.6 | 165.1 | -24.8 | 35.2 | 0 | 0 | 0 | 110.9 | D137 | P135-D137 PolarHBondContact O-N 3.36Š|
| 136 | R | 96.2 | Very high | 95.5 | Very high | 236 Ų | 236 | 127.9 Ų | 127.9 | 89% | 0.891 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.7 | 176.5 | -68.5 | 179.8 | 177.2 | 167.7 | -0.6 | 109 | ||
| 137 | D | 96.3 | Very high | 95.3 | Very high | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 153.3 | 173.7 | -60.8 | -46.9 | 0 | 0 | 0 | 111 | P135 R139 | P135-D137 PolarHBondContact O-N 3.36Å; D137-R139 PolarHBondContact O-N 3.24Å |
| 138 | A | 96.8 | Very high | 95.3 | Very high | 110 Ų | 110 | 135.5 Ų | 135.5 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 139 | R | 96.8 | Very high | 95.2 | Very high | 200 Ų | 200 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -141.5 | 148.3 | 177.1 | 69.6 | -179.9 | -175 | 175.3 | 2.6 | 111.1 | D137 | D137-R139 PolarHBondContact O-N 3.24Š| ||
| 140 | F | 95.6 | Very high | 95.2 | Very high | 214 Ų | 214 | 139.8 Ų | 139.8 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | trans | -85.5 | 135.2 | 170.4 | -64.5 | -77.5 | 0 | 0 | 0 | 110 | ||||
| 141 | V | 94.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 137.6 Ų | 137.6 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -111.7 | 118.7 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 142 | S | 94.5 | Very high | 95.1 | Very high | 86 Ų | 86 | 138.2 Ų | 138.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 141.4 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | K144 | S142-K144 PolarHBondContact OG-N 2.94Š| ||
| 143 | T | 94.5 | Very high | 95.1 | Very high | 96 Ų | 96 | 139.2 Ų | 139.2 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | trans | -89.9 | -2.6 | 172.4 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | G145 N146 | T143-G145 PolarHBondContact O-N 3.14Å; T143-G145 VanDerWaalsContact O-N 3.13Å; T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 2.91Å; T143-N146 VanDerWaalsContact O-N 3.15Å | ||
| 144 | K | 94.3 | Very high | 94.9 | Very high | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 111.6 | 179.6 | -172.3 | 177.7 | -179.2 | 178.5 | 0 | 110.2 | S142 N146 | S142-K144 PolarHBondContact OG-N 2.94Å; K144-N146 PolarHBondContact O-N 3.12Å |
| 145 | G | 92.1 | Very high | 94.8 | Very high | 87 Ų | 87 | 141.3 Ų | 141.3 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 13.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T143 | T143-G145 PolarHBondContact O-N 3.14Å; T143-G145 VanDerWaalsContact O-N 3.13Å |
| 146 | N | 92.4 | Very high | 94.6 | Very high | 102 Ų | 102 | 145.2 Ų | 145.2 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | trans | -143.9 | 69.2 | 177.5 | -173.7 | 31.1 | 0 | 0 | 0 | 109.1 | T143 K144 | T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 2.91Å; T143-N146 VanDerWaalsContact O-N 3.15Å; K144-N146 PolarHBondContact O-N 3.12Å | ||
| 147 | E | 92.2 | Very high | 94.3 | Very high | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.4 | 177.5 | -67.3 | -178.4 | 174.5 | 0 | 0 | 109.8 | Q149 | E147-Q149 PolarHBondContact O-N 2.76Å; E147-Q149 VanDerWaalsContact O-N 3.15Å |
| 148 | P | 95.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.5 | 175.2 | -24.1 | 34.2 | 0 | 0 | 0 | 110.8 | ||
| 149 | Q | 94.2 | Very high | 93.2 | Very high | 165 Ų | 165 | 142.7 Ų | 142.7 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.3 | 178 | -170 | 174.6 | 10.7 | 0 | 0 | 110.3 | E147 L151 | E147-Q149 PolarHBondContact O-N 2.76Å; E147-Q149 VanDerWaalsContact O-N 3.15Å; Q149-L151 HydrophobicContact CG-CD2 4.27Å; Q149-L151 PolarHBondContact O-N 2.91Å |
| 150 | L | 94.9 | Very high | 92.2 | Very high | 142 Ų | 142 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 126.2 | 168.6 | -176.4 | 65.4 | 0 | 0 | 0 | 108.9 | ||
| 151 | L | 95.3 | Very high | 92.1 | Very high | 140 Ų | 140 | 137.1 Ų | 137.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -112 | 133.9 | 174.9 | -62 | 178.9 | 0 | 0 | 0 | 108.9 | Q149 | Q149-L151 HydrophobicContact CG-CD2 4.27Å; Q149-L151 PolarHBondContact O-N 2.91Å | ||
| 152 | E | 94.9 | Very high | 92 | Very high | 154 Ų | 154 | 138.7 Ų | 138.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -115.3 | 145.5 | 178.5 | -66 | -178 | 176 | 0 | 0 | 110.5 | I154 | E152-I154 PolarHBondContact O-N 3.01Š| ||
| 153 | P | 95.7 | Very high | 91.8 | Very high | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.1 | 170.8 | -21.3 | 32.8 | 0 | 0 | 0 | 110.9 | ||
| 154 | I | 94 | Very high | 91.7 | Very high | 151 Ų | 151 | 144.4 Ų | 144.4 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70 | 138.8 | 175.6 | -56.2 | 174.1 | 0 | 0 | 0 | 108.4 | E152 | E152-I154 PolarHBondContact O-N 3.01Š|
| 155 | P | 93.8 | Very high | 91.5 | Very high | 110 Ų | 110 | 141.3 Ų | 141.3 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 153.8 | 173.8 | 25.8 | -35 | 0 | 0 | 0 | 111.6 | E157 | P155-E157 PolarHBondContact O-N 3.43Š|
| 156 | Y | 92.4 | Very high | 91.5 | Very high | 201 Ų | 201 | 144.9 Ų | 144.9 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.1 | 174 | 173.4 | -95.9 | 0 | 0 | 0 | 110.3 | F158 | Y156-F158 HydrophobicContact CE1-CB 4.34Š|
| 157 | E | 89.2 | Confident | 91.4 | Very high | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | trans | -128.2 | 131.4 | 172.7 | -171 | 177.7 | -178.5 | 0 | 0 | 108.6 | P155 M159 | P155-E157 PolarHBondContact O-N 3.43Å; E157-M159 HydrophobicContact CG-CE 4.34Å; E157-M159 HydrophobicContact CG-CG 4.43Å; E157-M159 PolarHBondContact O-N 3.07Å; E157-M159 VanDerWaalsContact OE2-CE 3.24Å; E157-M159 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 158 | F | 84.6 | Confident | 91.3 | Very high | 155 Ų | 155 | 146.4 Ų | 146.4 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | -85.6 | 108.8 | 174.8 | -176.2 | -97 | 0 | 0 | 0 | 109.2 | Y156 A160 | Y156-F158 HydrophobicContact CE1-CB 4.34Å; F158-A160 HydrophobicContact CE1-CB 4.22Å | ||
| 159 | M | 85.3 | Confident | 91 | Very high | 148 Ų | 148 | 149 Ų | 149 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | -105.3 | 125.8 | 173.2 | -62.3 | -170.9 | -176.7 | 0 | 0 | 109.8 | E157 | E157-M159 HydrophobicContact CG-CE 4.34Å; E157-M159 HydrophobicContact CG-CG 4.43Å; E157-M159 PolarHBondContact O-N 3.07Å; E157-M159 VanDerWaalsContact OE2-CE 3.24Å; E157-M159 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 160 | A | 77.6 | Confident | 90.7 | Very high | 159 Ų | 159 | 147.5 Ų | 147.5 | 100% | 1.314 | 79% | 0.787 | S | S | * | * | trans | -99.7 | 0 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F158 | F158-A160 HydrophobicContact CE1-CB 4.22Š|
Retrieved 160 of 160 residues in 345.3 ms
(Link to these results)