| 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 | 58.8 | Low | 87.9 | Confident | 226 Ų | 226 | 116.1 Ų | 116.1 | 100% | 1.113 | 62% | 0.618 | S | S | * | * | 0 | 104.7 | 0 | -113.3 | -170.8 | -88.1 | 0 | 0 | 110.6 | N3 | M1-N3 PolarHBondContact O-N 3.01Š| |||
| 2 | T | 80.3 | Confident | 88.3 | Confident | 150 Ų | 150 | 123.3 Ų | 123.3 | 92% | 0.92 | 63% | 0.63 | S | S | * | * | trans | -97.8 | 78.5 | -172.1 | -25.4 | 0 | 0 | 0 | 0 | 110.5 | T4 | T2-T4 PolarHBondContact O-N 3.36Š| ||
| 3 | N | 83.1 | Confident | 88.8 | Confident | 99 Ų | 99 | 127.5 Ų | 127.5 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | trans | -66.5 | 130.5 | 176.3 | -88 | -46 | 0 | 0 | 0 | 111.1 | M1 K5 | M1-N3 PolarHBondContact O-N 3.01Å; N3-K5 WeakPolarHBondContact O-CG 3.45Å; N3-K5 PolarHBondContact O-N 3.1Å | ||
| 4 | T | 89.2 | Confident | 89.3 | Confident | 109 Ų | 109 | 122.4 Ų | 122.4 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | trans | -56.7 | 137.8 | 177.5 | -36.2 | 0 | 0 | 0 | 0 | 110.8 | T2 R9 | T2-T4 PolarHBondContact O-N 3.36Å; T4-R9 WeakPolarHBondContact O-CD 3.46Å; T4-R9 VanDerWaalsContact O-CZ 3.26Å; T4-R9 PolarHBondContact O-NE 3.38Å; T4-R9 PolarHBondContact O-NH1 3.34Å | ||
| 5 | K | 90 | Very high | 89.6 | Confident | 194 Ų | 194 | 114.8 Ų | 114.8 | 84% | 0.843 | 57% | 0.571 | S | S | * | * | trans | -118.3 | 31.4 | -177.7 | -63.7 | -178.7 | -175.4 | 171.2 | 0 | 113.6 | N3 | N3-K5 WeakPolarHBondContact O-CG 3.45Å; N3-K5 PolarHBondContact O-N 3.1Å | ||
| 6 | G | 94.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 111.9 Ų | 111.9 | 40% | 0.402 | 57% | 0.565 | S | S | . | * | trans | -60.1 | 148.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | R8 R9 | G6-R8 PolarHBondContact O-N 2.94Å; G6-R9 WeakPolarHBondContact O-CB 3.16Å; G6-R9 PolarHBondContact O-N 2.96Å | ||
| 7 | K | 93.2 | Very high | 90.1 | Very high | 156 Ų | 156 | 108.4 Ų | 108.4 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.8 | -178.8 | -175.1 | 176.5 | 179.7 | 179.2 | 0 | 114.1 | H54 | K7-H54 PolarHBondContact O-CD2 2.86Š|
| 8 | R | 93.7 | Very high | 90.3 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 41% | 0.408 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 22 | 179.7 | -59.7 | -174.3 | 76.7 | 173.7 | 0.8 | 113.2 | G6 G10 T11 M52 | G6-R8 PolarHBondContact O-N 2.94Å; R8-G10 PolarHBondContact O-N 3.43Å; R8-T11 PolarHBondContact O-OG1 3.43Å; R8-M52 VanDerWaalsContact NH2-CE 3.29Å; R8-M52 PolarHBondContact NH2-SD 2.98Å |
| 9 | R | 94.9 | Very high | 90.6 | Very high | 113 Ų | 113 | 109.6 Ų | 109.6 | 43% | 0.426 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | 135.8 | 174.3 | 175.1 | 172.8 | 174.2 | -149 | 1.2 | 110.8 | T4 G6 T11 K55 | T4-R9 WeakPolarHBondContact O-CD 3.46Å; T4-R9 VanDerWaalsContact O-CZ 3.26Å; T4-R9 PolarHBondContact O-NE 3.38Å; T4-R9 PolarHBondContact O-NH1 3.34Å; G6-R9 WeakPolarHBondContact O-CB 3.16Å; G6-R9 PolarHBondContact O-N 2.96Å; R9-T11 VanDerWaalsContact C-N 3.33Å; R9-K55 WeakPolarHBondContact O-CD 3.31Å; R9-K55 PolarHBondContact O-NZ 2.87Å |
| 10 | G | 94 | Very high | 90.8 | Very high | 71 Ų | 71 | 114.4 Ų | 114.4 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.2 | 26.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R8 | R8-G10 PolarHBondContact O-N 3.43Š|
| 11 | T | 95.6 | Very high | 91 | Very high | 12 Ų | 12 | 115.3 Ų | 115.3 | 7% | 0.074 | 56% | 0.563 | C | S | . | * | trans | -113.5 | 16.8 | -178.9 | 73.4 | 0 | 0 | 0 | 0 | 113.8 | R8 R9 Y13 M14 F15 K55 | R8-T11 PolarHBondContact O-OG1 3.43Å; R9-T11 VanDerWaalsContact C-N 3.33Å; T11-Y13 PolarHBondContact O-N 2.97Å; T11-M14 HydrophobicContact CG2-CE 3.55Å; T11-M14 PolarHBondContact O-N 3.19Å; T11-F15 VanDerWaalsContact CB-CD2 3.4Å; T11-F15 HydrophobicContact CG2-CD2 4.03Å; T11-F15 HydrophobicContact CG2-CE2 3.73Å; T11-F15 HydrophobicContact CG2-CZ 4.42Å; T11-F15 PolarHBondContact O-N 3.11Å; T11-F15 VanDerWaalsContact OG1-CD2 3.26Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; T11-K55 HydrophobicContact CG2-CB 3.84Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.38Å | ||
| 12 | R | 92.9 | Very high | 92.6 | Very high | 203 Ų | 203 | 110.7 Ų | 110.7 | 77% | 0.766 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -55.1 | -175.7 | -173.4 | -179.1 | -174.2 | -178.5 | 2.8 | 111.8 | ||
| 13 | Y | 94.6 | Very high | 93.2 | Very high | 178 Ų | 178 | 105.9 Ų | 105.9 | 70% | 0.698 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -23.8 | 179.4 | -54 | -68.5 | 0 | 0 | 0 | 113.6 | T11 F15 S16 | T11-Y13 PolarHBondContact O-N 2.97Å; Y13-F15 PolarHBondContact O-N 3.35Å; Y13-S16 PolarHBondContact O-OG 2.93Å |
| 14 | M | 94.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 107.5 Ų | 107.5 | 27% | 0.271 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -33.6 | -173.7 | -172.5 | -176.4 | 68.5 | 0 | 0 | 112.8 | T11 K55 H58 | T11-M14 HydrophobicContact CG2-CE 3.55Å; T11-M14 PolarHBondContact O-N 3.19Å; M14-K55 HydrophobicContact CE-CB 3.22Å; M14-K55 HydrophobicContact SD-CB 4.13Å; M14-H58 HydrophobicContact CE-CB 4.34Å; M14-H58 VanDerWaalsContact CG-CD2 3.45Å; M14-H58 WeakPolarHBondContact CG-CD2 3.19Å; M14-H58 VanDerWaalsContact CG-NE2 3.31Å; M14-H58 WeakPolarHBondContact CG-NE2 3.47Å; M14-H58 PolarHBondContact O-CE1 2.82Å; M14-H58 PolarHBondContact O-NE2 3.03Å; M14-H58 HydrophobicContact SD-CB 4.02Å |
| 15 | F | 94.7 | Very high | 94 | Very high | 9 Ų | 9 | 102.6 Ų | 102.6 | 4% | 0.039 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -105.6 | 0.2 | 179.1 | -65.1 | -30.8 | 0 | 0 | 0 | 113.5 | T11 Y13 G46 M52 K55 H58 | T11-F15 VanDerWaalsContact CB-CD2 3.4Å; T11-F15 HydrophobicContact CG2-CD2 4.03Å; T11-F15 HydrophobicContact CG2-CE2 3.73Å; T11-F15 HydrophobicContact CG2-CZ 4.42Å; T11-F15 PolarHBondContact O-N 3.11Å; T11-F15 VanDerWaalsContact OG1-CD2 3.26Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; Y13-F15 PolarHBondContact O-N 3.35Å; F15-G46 WeakPolarHBondContact O-CA 3.43Å; F15-G46 PolarHBondContact O-N 3.41Å; F15-M52 HydrophobicContact CB-CE 3.74Å; F15-M52 HydrophobicContact CD1-CE 3.37Å; F15-M52 HydrophobicContact CD2-CE 3.42Å; F15-M52 VanDerWaalsContact CD2-CE 3.42Å; F15-M52 HydrophobicContact CD2-SD 4.22Å; F15-M52 HydrophobicContact CE1-CE 3.67Å; F15-M52 HydrophobicContact CE2-CE 3.71Å; F15-M52 HydrophobicContact CE2-SD 4.21Å; F15-M52 HydrophobicContact CG-CE 3.23Å; F15-M52 HydrophobicContact CZ-CE 3.82Å; F15-K55 HydrophobicContact CZ-CB 4.46Å; F15-H58 AromaticContact CE1-ND1 3.7Å |
| 16 | S | 93.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 97.1 Ų | 97.1 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -64.3 | 150.3 | 173.7 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | Y13 | Y13-S16 PolarHBondContact O-OG 2.93Š|
| 17 | R | 93.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 101.8 Ų | 101.8 | 20% | 0.2 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 141.9 | 170.9 | -72.3 | -72.5 | -71.3 | -165.7 | -7.1 | 108.7 | K21 M45 T47 | R17-K21 PolarHBondContact NE-O 3.29Å; R17-K21 PolarHBondContact NH2-O 2.96Å; R17-M45 PolarHBondContact NH1-SD 3.15Å; R17-T47 VanDerWaalsContact CD-OG1 3.31Å; R17-T47 WeakPolarHBondContact CD-OG1 3.42Å |
| 18 | P | 94.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 156.6 | 175.4 | 22.4 | -23.9 | 0 | 0 | 0 | 110.6 | R20 K21 | P18-R20 PolarHBondContact O-N 3Å; P18-K21 HydrophobicContact CG-CB 3.85Å; P18-K21 HydrophobicContact CG-CG 4Å; P18-K21 WeakPolarHBondContact O-CB 3.49Å; P18-K21 PolarHBondContact O-N 2.81Å |
| 19 | F | 95.6 | Very high | 94.5 | Very high | 160 Ų | 160 | 92.9 Ų | 92.9 | 70% | 0.702 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 138.3 | 179.9 | -178.2 | -120.3 | 0 | 0 | 0 | 111.6 | K21 | F19-K21 PolarHBondContact O-N 3.45Š|
| 20 | R | 95.3 | Very high | 94.5 | Very high | 204 Ų | 204 | 92.3 Ų | 92.3 | 77% | 0.77 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 21.3 | -177.6 | -63.2 | 176.5 | 178.8 | 179.9 | 1.8 | 114.9 | P18 | P18-R20 PolarHBondContact O-N 3Š|
| 21 | K | 93.9 | Very high | 94.5 | Very high | 134 Ų | 134 | 96.2 Ų | 96.2 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | trans | -121.9 | 30.8 | 170.8 | -58.3 | -65.1 | -179.7 | -171.1 | 0 | 110.9 | R17 P18 F19 | R17-K21 PolarHBondContact NE-O 3.29Å; R17-K21 PolarHBondContact NH2-O 2.96Å; P18-K21 HydrophobicContact CG-CB 3.85Å; P18-K21 HydrophobicContact CG-CG 4Å; P18-K21 WeakPolarHBondContact O-CB 3.49Å; P18-K21 PolarHBondContact O-N 2.81Å; F19-K21 PolarHBondContact O-N 3.45Å | ||
| 22 | H | 93.4 | Very high | 94.5 | Very high | 130 Ų | 130 | 100.6 Ų | 100.6 | 60% | 0.602 | 49% | 0.493 | S | S | * | . | trans | -77.7 | 172.7 | 173.9 | -60 | -87.1 | 0 | 0 | 0 | 110.9 | ||||
| 23 | G | 93.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 97.1 Ų | 97.1 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 88.2 | -152.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T47 | G23-T47 VanDerWaalsContact O-CG2 3.3Å; G23-T47 WeakPolarHBondContact O-CG2 3.49Å |
| 24 | V | 94.1 | Very high | 94.8 | Very high | 133 Ų | 133 | 89.4 Ų | 89.4 | 81% | 0.806 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.2 | 145 | -169.1 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 25 | V | 93.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 93.6 Ų | 93.6 | 4% | 0.036 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 130.7 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | T29 Y30 M45 T47 V48 | V25-T29 HydrophobicContact CG1-CG2 4.11Å; V25-T29 WeakPolarHBondContact CG1-OG1 3.45Å; V25-Y30 HydrophobicContact CB-CE2 4.29Å; V25-Y30 HydrophobicContact CG1-CE2 4.36Å; V25-M45 HydrophobicContact CG2-SD 3.82Å; V25-T47 HydrophobicContact CG2-CG2 4.06Å; V25-V48 HydrophobicContact CG2-CG2 4.34Å |
| 26 | P | 94.8 | Very high | 95 | Very high | 78 Ų | 78 | 100.9 Ų | 100.9 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -58 | 139.8 | 178.9 | -24.4 | 33.2 | 0 | 0 | 0 | 112.6 | A28 T29 | P26-A28 PolarHBondContact O-N 3.22Å; P26-A28 VanDerWaalsContact O-N 3.12Å; P26-T29 WeakPolarHBondContact O-CB 3.22Å; P26-T29 PolarHBondContact O-N 3.41Å; P26-T29 PolarHBondContact O-OG1 3.01Å |
| 27 | L | 95.7 | Very high | 95.1 | Very high | 137 Ų | 137 | 99.9 Ų | 99.9 | 72% | 0.717 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -55.8 | -31.7 | -178.7 | -71.6 | 175.8 | 0 | 0 | 0 | 113.4 | T29 Y30 M31 | L27-T29 PolarHBondContact O-N 2.94Å; L27-Y30 HydrophobicContact CD2-CD2 4.45Å; L27-Y30 PolarHBondContact O-N 3.46Å; L27-M31 WeakPolarHBondContact O-CG 3.37Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.12Å |
| 28 | A | 95.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 99.5 Ų | 99.5 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -54.6 | -21.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P26 R32 | P26-A28 PolarHBondContact O-N 3.22Å; P26-A28 VanDerWaalsContact O-N 3.12Å; A28-R32 WeakPolarHBondContact O-CG 3.36Å |
| 29 | T | 95.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 97.3 Ų | 97.3 | 10% | 0.098 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -71.9 | -39.4 | 175.7 | -46.3 | 0 | 0 | 0 | 0 | 111.6 | V25 P26 L27 I93 | V25-T29 HydrophobicContact CG1-CG2 4.11Å; V25-T29 WeakPolarHBondContact CG1-OG1 3.45Å; P26-T29 WeakPolarHBondContact O-CB 3.22Å; P26-T29 PolarHBondContact O-N 3.41Å; P26-T29 PolarHBondContact O-OG1 3.01Å; L27-T29 PolarHBondContact O-N 2.94Å; T29-I93 VanDerWaalsContact O-CG2 3.27Å; T29-I93 WeakPolarHBondContact O-CG2 3.43Å |
| 30 | Y | 94.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 89.7 Ų | 89.7 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -32.6 | -179.5 | -57.8 | -72.6 | 0 | 0 | 0 | 112.5 | V25 L27 R32 E94 | V25-Y30 HydrophobicContact CB-CE2 4.29Å; V25-Y30 HydrophobicContact CG1-CE2 4.36Å; L27-Y30 HydrophobicContact CD2-CD2 4.45Å; L27-Y30 PolarHBondContact O-N 3.46Å; Y30-R32 PolarHBondContact O-N 3.34Å; Y30-E94 HydrophobicContact CE1-CG 3.57Å |
| 31 | M | 95.9 | Very high | 95.6 | Very high | 154 Ų | 154 | 82.3 Ų | 82.3 | 76% | 0.759 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -74 | -6.6 | 179.5 | -60.2 | -61.9 | -86.5 | 0 | 0 | 113.4 | L27 I33 | L27-M31 WeakPolarHBondContact O-CG 3.37Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.12Å; M31-I33 PolarHBondContact O-N 3.46Å |
| 32 | R | 95.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 76 Ų | 76 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | trans | -72.5 | 124.7 | 176.7 | -82.5 | 174.4 | -169.8 | 151.9 | 6.7 | 110.8 | A28 Y30 Y34 | A28-R32 WeakPolarHBondContact O-CG 3.36Å; Y30-R32 PolarHBondContact O-N 3.34Å; R32-Y34 HydrophobicContact CB-CE2 3.78Å; R32-Y34 WeakPolarHBondContact O-CD2 3.36Å | ||
| 33 | I | 96 | Very high | 95.9 | Very high | 130 Ų | 130 | 74.6 Ų | 74.6 | 67% | 0.667 | 40% | 0.399 | S | S | * | . | trans | -86.7 | 127.3 | 177.9 | -57.9 | 171.1 | 0 | 0 | 0 | 109.2 | M31 K35 H98 | M31-I33 PolarHBondContact O-N 3.46Å; I33-K35 HydrophobicContact CG2-CG 4.48Å; I33-H98 PolarHBondContact O-CE1 2.91Å; I33-H98 PolarHBondContact O-NE2 3.5Å | ||
| 34 | Y | 97 | Very high | 96 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | trans | -112.3 | 134.3 | 174.2 | -66.5 | -86.5 | 0 | 0 | 0 | 109.9 | R32 V40 V72 I93 I96 H98 | R32-Y34 HydrophobicContact CB-CE2 3.78Å; R32-Y34 WeakPolarHBondContact O-CD2 3.36Å; Y34-V40 HydrophobicContact CD1-CG1 3.67Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; Y34-V72 HydrophobicContact CD2-CG2 4.34Å; Y34-V72 HydrophobicContact CG-CG2 4.22Å; Y34-I93 HydrophobicContact CD2-CG2 4.43Å; Y34-I93 HydrophobicContact CE2-CG2 3.78Å; Y34-I96 HydrophobicContact CD1-CG2 4.49Å; Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.19Å; Y34-H98 AromaticContact CD1-CE1 3.35Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.34Å; Y34-H98 AromaticContact CD1-ND1 3.98Å; Y34-H98 AromaticContact CD1-NE2 3.63Å; Y34-H98 AromaticContact CE1-CE1 3.24Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y34-H98 AromaticContact CE1-ND1 3.39Å; Y34-H98 WeakPolarHBondContact CE1-ND1 3.47Å; Y34-H98 AromaticContact CE1-NE2 3.84Å; Y34-H98 AromaticContact CG-CE1 3.98Å; Y34-H98 AromaticContact CZ-CE1 3.76Å; Y34-H98 AromaticContact CZ-ND1 3.78Å | ||
| 35 | K | 96.8 | Very high | 95.9 | Very high | 143 Ų | 143 | 67.1 Ų | 67.1 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | trans | -116.1 | 158.2 | 176.3 | -64.3 | -177.2 | -178.8 | -177.5 | 0 | 110.8 | I33 G37 D38 V64 | I33-K35 HydrophobicContact CG2-CG 4.48Å; K35-G37 PolarHBondContact O-N 3.38Å; K35-D38 PolarHBondContact N-OD2 3.17Å; K35-D38 VanDerWaalsContact O-CB 3.31Å; K35-D38 WeakPolarHBondContact O-CB 3.39Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-D38 VanDerWaalsContact O-N 3.15Å; K35-V64 WeakPolarHBondContact O-CB 3.28Å | ||
| 36 | K | 97.4 | Very high | 95.9 | Very high | 161 Ų | 161 | 68 Ų | 68 | 70% | 0.7 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131.3 | 174.3 | -163.1 | 168.6 | 170.9 | 170.6 | 0 | 109.1 | Y65 | K36-Y65 VanDerWaalsContact CD-O 3.28Å; K36-Y65 WeakPolarHBondContact CD-O 3.32Å; K36-Y65 WeakPolarHBondContact CE-O 3.4Å; K36-Y65 WeakPolarHBondContact CG-O 3.22Å |
| 37 | G | 95.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -11.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K35 V64 | K35-G37 PolarHBondContact O-N 3.38Å; G37-V64 PolarHBondContact N-O 3.09Å |
| 38 | D | 96.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | trans | -61.4 | 144.2 | 175.5 | -75.8 | -8.9 | 0 | 0 | 0 | 111.3 | K35 V40 R63 V64 H98 | K35-D38 PolarHBondContact N-OD2 3.17Å; K35-D38 VanDerWaalsContact O-CB 3.31Å; K35-D38 WeakPolarHBondContact O-CB 3.39Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-D38 VanDerWaalsContact O-N 3.15Å; D38-V40 HydrophobicContact CB-CG1 4.37Å; D38-R63 WeakPolarHBondContact O-CA 3.45Å; D38-V64 HydrophobicContact CB-CG2 4.15Å; D38-V64 PolarHBondContact O-N 2.87Å; D38-H98 IonicContact OD2-CD2 3.9Å; D38-H98 IonicContact OD2-NE2 3.86Å; D38-H98 PolarHBondContact OD2-NE2 2.95Å | ||
| 39 | I | 97.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.8 | 174.6 | -58.5 | -177.3 | 0 | 0 | 0 | 108.6 | T61 G62 R63 S99 R102 | I39-T61 HydrophobicContact CG2-CG2 3.32Å; I39-G62 WeakPolarHBondContact CA-O 3.47Å; I39-R63 HydrophobicContact CG1-CG 4.22Å; I39-S99 PolarHBondContact O-N 3.47Å; I39-R102 HydrophobicContact CB-CB 4.45Å; I39-R102 HydrophobicContact CD1-CB 4.26Å; I39-R102 HydrophobicContact CD1-CG 4.29Å |
| 40 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.8 | -172.9 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | Y34 D38 T61 G62 V64 I74 I96 K97 | Y34-V40 HydrophobicContact CD1-CG1 3.67Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; D38-V40 HydrophobicContact CB-CG1 4.37Å; V40-T61 CarbonylContact O-C 3.54Å; V40-T61 WeakPolarHBondContact O-CA 3.48Å; V40-T61 WeakPolarHBondContact O-CG2 3.34Å; V40-G62 PolarHBondContact N-O 2.86Å; V40-G62 PolarHBondContact O-N 2.99Å; V40-V64 HydrophobicContact CG1-CG2 3.84Å; V40-V64 HydrophobicContact CG2-CG2 3.96Å; V40-I74 HydrophobicContact CG2-CD1 3.6Å; V40-I74 HydrophobicContact CG2-CG1 3.83Å; V40-I74 HydrophobicContact CG2-CG2 4.1Å; V40-I96 HydrophobicContact CB-CG2 3.48Å; V40-I96 VanDerWaalsContact CB-CG2 3.48Å; V40-I96 HydrophobicContact CG1-CG2 3.88Å; V40-I96 HydrophobicContact CG2-CG2 3.78Å; V40-K97 CarbonylContact C-O 3.48Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.29Å; V40-K97 WeakPolarHBondContact CB-O 3.41Å |
| 41 | D | 97.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.2 | 175 | -62.1 | -35.4 | 0 | 0 | 0 | 109.9 | T61 I96 K97 S99 | D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.41Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å; D41-I96 WeakPolarHBondContact O-CA 2.98Å; D41-K97 PolarHBondContact N-O 3.28Å; D41-K97 PolarHBondContact O-N 3.37Å; D41-S99 PolarHBondContact OD1-OG 3.26Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.41Å; D41-S99 PolarHBondContact OD2-OG 3.12Å |
| 42 | I | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.8 | -178.5 | -60.9 | 154.5 | 0 | 0 | 0 | 109.1 | P53 Y57 G59 K60 I74 V76 I89 | I42-P53 HydrophobicContact CG2-CB 3.7Å; I42-P53 HydrophobicContact CG2-CG 3.67Å; I42-Y57 WeakPolarHBondContact CB-O 3.45Å; I42-Y57 WeakPolarHBondContact CG2-O 3.43Å; I42-G59 PolarHBondContact O-N 3.34Å; I42-K60 WeakPolarHBondContact CB-O 3.28Å; I42-K60 PolarHBondContact N-O 2.94Å; I42-I74 HydrophobicContact CD1-CD1 4.23Å; I42-I74 HydrophobicContact CD1-CG2 4.25Å; I42-I74 HydrophobicContact CG1-CD1 3.82Å; I42-V76 HydrophobicContact CD1-CG2 3.38Å; I42-I89 HydrophobicContact CD1-CD1 3.63Å |
| 43 | K | 95.9 | Very high | 96 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | trans | -135.7 | 99.3 | 178.3 | -177.9 | 69.8 | -177.9 | 168.5 | 0 | 109.4 | H58 H95 | K43-H58 VanDerWaalsContact CD-CE1 3.47Å; K43-H58 WeakPolarHBondContact CD-CE1 3.48Å; K43-H58 PolarHBondContact NZ-CE1 3.38Å; K43-H58 PolarHBondContact NZ-NE2 2.83Å; K43-H95 CarbonylContact C-O 3.6Å; K43-H95 PolarHBondContact N-O 3.1Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 WeakPolarHBondContact O-CA 3.34Å | ||
| 44 | G | 94.3 | Very high | 96 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -64.2 | 139.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H58 | G44-H58 PolarHBondContact N-ND1 2.88Å; G44-H58 PolarHBondContact O-CE1 2.88Å | ||
| 45 | M | 93.5 | Very high | 96 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | trans | -128.7 | 145.6 | 173.1 | 68.4 | 177.2 | 68.3 | 0 | 0 | 110.1 | R17 V25 T47 M52 E94 H95 | R17-M45 PolarHBondContact NH1-SD 3.15Å; V25-M45 HydrophobicContact CG2-SD 3.82Å; M45-T47 VanDerWaalsContact C-N 3.33Å; M45-T47 PolarHBondContact O-N 2.94Å; M45-M52 WeakPolarHBondContact O-CE 3.33Å; M45-E94 WeakPolarHBondContact CE-O 3.48Å; M45-E94 HydrophobicContact SD-CB 4.5Å; M45-H95 PolarHBondContact N-ND1 3.4Å; M45-H95 PolarHBondContact O-CE1 2.81Å; M45-H95 VanDerWaalsContact O-CE1 3.32Å | ||
| 46 | G | 93.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F15 V48 | F15-G46 WeakPolarHBondContact O-CA 3.43Å; F15-G46 PolarHBondContact O-N 3.41Å; G46-V48 VanDerWaalsContact C-N 3.31Å; G46-V48 PolarHBondContact O-N 3.21Å |
| 47 | T | 94.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 30% | 0.301 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.2 | -177.7 | -51 | 0 | 0 | 0 | 0 | 112.7 | R17 G23 V25 M45 | R17-T47 VanDerWaalsContact CD-OG1 3.31Å; R17-T47 WeakPolarHBondContact CD-OG1 3.42Å; G23-T47 VanDerWaalsContact O-CG2 3.3Å; G23-T47 WeakPolarHBondContact O-CG2 3.49Å; V25-T47 HydrophobicContact CG2-CG2 4.06Å; M45-T47 VanDerWaalsContact C-N 3.33Å; M45-T47 PolarHBondContact O-N 2.94Å |
| 48 | V | 95 | Very high | 95.9 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | trans | -115.9 | 122.1 | 178 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | V25 G46 E94 H95 | V25-V48 HydrophobicContact CG2-CG2 4.34Å; G46-V48 VanDerWaalsContact C-N 3.31Å; G46-V48 PolarHBondContact O-N 3.21Å; V48-E94 HydrophobicContact CG2-CB 4.4Å; V48-E94 HydrophobicContact CG2-CG 4.04Å; V48-H95 PolarHBondContact O-CE1 3.06Å; V48-H95 PolarHBondContact O-NE2 3.49Å | ||
| 49 | Q | 94.7 | Very high | 95.8 | Very high | 130 Ų | 130 | 45.6 Ų | 45.6 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | trans | -92.6 | -25.2 | -178.1 | -53.8 | 82.4 | -2.9 | 0 | 0 | 112.3 | M52 | Q49-M52 WeakPolarHBondContact O-CB 3.39Š| ||
| 50 | K | 95.8 | Very high | 95.8 | Very high | 145 Ų | 145 | 49 Ų | 49 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 139.9 | -179.1 | -69.1 | -173.2 | 179.3 | -179.2 | 0 | 110.8 | M52 R92 | K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å; K50-R92 WeakPolarHBondContact O-CD 3.15Å |
| 51 | G | 95.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 24.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V91 R92 H95 | G51-V91 WeakPolarHBondContact O-CA 3.33Å; G51-R92 PolarHBondContact O-N 2.78Å; G51-H95 PolarHBondContact O-CD2 3.18Å |
| 52 | M | 96.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 133.9 | 179.8 | -167.2 | 177.9 | -161.7 | 0 | 0 | 111.5 | R8 F15 M45 Q49 K50 | R8-M52 VanDerWaalsContact NH2-CE 3.29Å; R8-M52 PolarHBondContact NH2-SD 2.98Å; F15-M52 HydrophobicContact CB-CE 3.74Å; F15-M52 HydrophobicContact CD1-CE 3.37Å; F15-M52 HydrophobicContact CD2-CE 3.42Å; F15-M52 VanDerWaalsContact CD2-CE 3.42Å; F15-M52 HydrophobicContact CD2-SD 4.22Å; F15-M52 HydrophobicContact CE1-CE 3.67Å; F15-M52 HydrophobicContact CE2-CE 3.71Å; F15-M52 HydrophobicContact CE2-SD 4.21Å; F15-M52 HydrophobicContact CG-CE 3.23Å; F15-M52 HydrophobicContact CZ-CE 3.82Å; M45-M52 WeakPolarHBondContact O-CE 3.33Å; Q49-M52 WeakPolarHBondContact O-CB 3.39Å; K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å |
| 53 | P | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 149.3 | 178.7 | 28.8 | -35.2 | 0 | 0 | 0 | 111.5 | I42 V91 H95 | I42-P53 HydrophobicContact CG2-CB 3.7Å; I42-P53 HydrophobicContact CG2-CG 3.67Å; P53-V91 HydrophobicContact CB-CG2 4.19Å; P53-V91 HydrophobicContact CG-CG1 4.48Å; P53-H95 HydrophobicContact CG-CB 4.39Å |
| 54 | H | 96.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 30% | 0.296 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 148.8 | 167.3 | -178.5 | -99.1 | 0 | 0 | 0 | 110.4 | K7 C56 Y57 | K7-H54 PolarHBondContact O-CD2 2.86Å; H54-C56 PolarHBondContact ND1-N 3.31Å; H54-C56 PolarHBondContact ND1-SG 3.16Å; H54-C56 PolarHBondContact O-N 3.34Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 3.34Å |
| 55 | K | 95.8 | Very high | 96 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -52.6 | -30.5 | -175.6 | 62.6 | 176 | -179.4 | 178.2 | 0 | 115.3 | R9 T11 M14 F15 Y57 H58 | R9-K55 WeakPolarHBondContact O-CD 3.31Å; R9-K55 PolarHBondContact O-NZ 2.87Å; T11-K55 HydrophobicContact CG2-CB 3.84Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.38Å; M14-K55 HydrophobicContact CE-CB 3.22Å; M14-K55 HydrophobicContact SD-CB 4.13Å; F15-K55 HydrophobicContact CZ-CB 4.46Å; K55-Y57 PolarHBondContact O-N 3.33Å; K55-H58 WeakPolarHBondContact O-CB 3.42Å; K55-H58 PolarHBondContact O-N 2.9Å |
| 56 | C | 95.6 | Very high | 96.2 | Very high | 41 Ų | 41 | 58.5 Ų | 58.5 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -66.2 | -19.8 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 114.2 | H54 | H54-C56 PolarHBondContact ND1-N 3.31Å; H54-C56 PolarHBondContact ND1-SG 3.16Å; H54-C56 PolarHBondContact O-N 3.34Å |
| 57 | Y | 97.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -99.4 | -7.1 | 179.2 | -55.9 | -63 | 0 | 0 | 0 | 112.7 | I42 H54 K55 G59 K60 V76 K78 K87 I89 | I42-Y57 WeakPolarHBondContact CB-O 3.45Å; I42-Y57 WeakPolarHBondContact CG2-O 3.43Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 3.34Å; K55-Y57 PolarHBondContact O-N 3.33Å; Y57-G59 PolarHBondContact O-N 2.79Å; Y57-K60 WeakPolarHBondContact O-CB 3.47Å; Y57-K60 PolarHBondContact O-N 2.85Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; Y57-V76 HydrophobicContact CD1-CB 4.18Å; Y57-V76 HydrophobicContact CD1-CG1 4.03Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-K78 HydrophobicContact CE1-CB 4.36Å; Y57-K78 HydrophobicContact CE1-CD 4.11Å; Y57-K87 HydrophobicContact CE1-CB 4.18Å; Y57-I89 HydrophobicContact CD1-CD1 4.46Å; Y57-I89 HydrophobicContact CD2-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CG2 4.06Å; Y57-I89 HydrophobicContact CE1-CG2 4.3Å; Y57-I89 HydrophobicContact CE2-CG2 3.67Å; Y57-I89 HydrophobicContact CG-CD1 4.04Å |
| 58 | H | 95.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 131.6 | 177.3 | -172.5 | 93.4 | 0 | 0 | 0 | 110.3 | M14 F15 K43 G44 K55 K60 | M14-H58 HydrophobicContact CE-CB 4.34Å; M14-H58 VanDerWaalsContact CG-CD2 3.45Å; M14-H58 WeakPolarHBondContact CG-CD2 3.19Å; M14-H58 VanDerWaalsContact CG-NE2 3.31Å; M14-H58 WeakPolarHBondContact CG-NE2 3.47Å; M14-H58 PolarHBondContact O-CE1 2.82Å; M14-H58 PolarHBondContact O-NE2 3.03Å; M14-H58 HydrophobicContact SD-CB 4.02Å; F15-H58 AromaticContact CE1-ND1 3.7Å; K43-H58 VanDerWaalsContact CD-CE1 3.47Å; K43-H58 WeakPolarHBondContact CD-CE1 3.48Å; K43-H58 PolarHBondContact NZ-CE1 3.38Å; K43-H58 PolarHBondContact NZ-NE2 2.83Å; G44-H58 PolarHBondContact N-ND1 2.88Å; G44-H58 PolarHBondContact O-CE1 2.88Å; K55-H58 WeakPolarHBondContact O-CB 3.42Å; K55-H58 PolarHBondContact O-N 2.9Å; H58-K60 PolarHBondContact O-N 3.43Å |
| 59 | G | 95.5 | Very high | 96.5 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 6.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | I42 Y57 | I42-G59 PolarHBondContact O-N 3.34Å; Y57-G59 PolarHBondContact O-N 2.79Å |
| 60 | K | 96.7 | Very high | 96.5 | Very high | 106 Ų | 106 | 67.6 Ų | 67.6 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | trans | -89.2 | 146.7 | 172.7 | -60.3 | -63.5 | -176.8 | -179.2 | 0 | 110.4 | I42 Y57 H58 V76 | I42-K60 WeakPolarHBondContact CB-O 3.28Å; I42-K60 PolarHBondContact N-O 2.94Å; Y57-K60 WeakPolarHBondContact O-CB 3.47Å; Y57-K60 PolarHBondContact O-N 2.85Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; H58-K60 PolarHBondContact O-N 3.43Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.2Å | ||
| 61 | T | 97.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.4 | 170.8 | -50.2 | 0 | 0 | 0 | 0 | 108.9 | I39 V40 D41 | I39-T61 HydrophobicContact CG2-CG2 3.32Å; V40-T61 CarbonylContact O-C 3.54Å; V40-T61 WeakPolarHBondContact O-CA 3.48Å; V40-T61 WeakPolarHBondContact O-CG2 3.34Å; D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.41Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å |
| 62 | G | 96.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I39 V40 V75 | I39-G62 WeakPolarHBondContact CA-O 3.47Å; V40-G62 PolarHBondContact N-O 2.86Å; V40-G62 PolarHBondContact O-N 2.99Å; G62-V75 WeakPolarHBondContact CA-O 3.39Å |
| 63 | R | 97.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 58.9 Ų | 58.9 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.3 | 175.7 | -73.6 | -178.4 | -180 | 173 | 0.9 | 110.7 | D38 I39 Y65 I74 V75 | D38-R63 WeakPolarHBondContact O-CA 3.45Å; I39-R63 HydrophobicContact CG1-CG 4.22Å; R63-Y65 PolarHBondContact O-N 2.82Å; R63-I74 CarbonylContact O-C 3.5Å; R63-I74 WeakPolarHBondContact O-CA 3.43Å; R63-V75 PolarHBondContact N-O 3.31Å; R63-V75 VanDerWaalsContact N-O 3.09Å; R63-V75 PolarHBondContact O-N 3.42Å |
| 64 | V | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.3 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | K35 G37 D38 V40 V67 V72 G73 | K35-V64 WeakPolarHBondContact O-CB 3.28Å; G37-V64 PolarHBondContact N-O 3.09Å; D38-V64 HydrophobicContact CB-CG2 4.15Å; D38-V64 PolarHBondContact O-N 2.87Å; V40-V64 HydrophobicContact CG1-CG2 3.84Å; V40-V64 HydrophobicContact CG2-CG2 3.96Å; V64-V67 HydrophobicContact CG1-CG2 3.83Å; V64-V72 HydrophobicContact CB-CG1 4.01Å; V64-V72 HydrophobicContact CG1-CG1 3.35Å; V64-V72 HydrophobicContact CG2-CG1 3.53Å; V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.45Å |
| 65 | Y | 97.7 | Very high | 96.9 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -25.3 | 173.4 | 79.3 | -87.1 | 0 | 0 | 0 | 113.3 | K36 R63 G73 V75 R88 N90 | K36-Y65 VanDerWaalsContact CD-O 3.28Å; K36-Y65 WeakPolarHBondContact CD-O 3.32Å; K36-Y65 WeakPolarHBondContact CE-O 3.4Å; K36-Y65 WeakPolarHBondContact CG-O 3.22Å; R63-Y65 PolarHBondContact O-N 2.82Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 2.82Å; Y65-V75 HydrophobicContact CD1-CG2 3.76Å; Y65-V75 HydrophobicContact CG-CG2 4.04Å; Y65-R88 HydrophobicContact CD1-CG 4.39Å; Y65-R88 HydrophobicContact CE1-CB 3.96Å; Y65-R88 HydrophobicContact CE1-CG 4.15Å; Y65-N90 PolarHBondContact OH-OD1 2.94Å |
| 66 | N | 97.6 | Very high | 97 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151 | 179.1 | -167.8 | 27.9 | 0 | 0 | 0 | 110.6 | G73 | N66-G73 PolarHBondContact N-O 3.16Å; N66-G73 PolarHBondContact O-N 3.44Å |
| 67 | V | 97.4 | Very high | 97 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.3 | 176.1 | -177 | 0 | 0 | 0 | 0 | 107.6 | V64 | V64-V67 HydrophobicContact CG1-CG2 3.83Å |
| 68 | T | 96.3 | Very high | 97 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | trans | -128.5 | 172.8 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 109.3 | H70 A71 | T68-H70 VanDerWaalsContact C-N 3.29Å; T68-H70 PolarHBondContact O-N 3.24Å; T68-H70 VanDerWaalsContact O-N 3.13Å; T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 PolarHBondContact OG1-N 3.03Å; T68-A71 PolarHBondContact OG1-O 3.24Å | ||
| 69 | Q | 95.6 | Very high | 97 | Very high | 168 Ų | 168 | 64 Ų | 64 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -50.9 | -41.5 | -174.1 | -173.1 | -178.9 | -6.8 | 0 | 0 | 114.7 | ||
| 70 | H | 94.6 | Very high | 97 | Very high | 106 Ų | 106 | 64 Ų | 64 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -123 | -6.3 | -176.1 | -60 | -56.1 | 0 | 0 | 0 | 114.2 | T68 I93 | T68-H70 VanDerWaalsContact C-N 3.29Å; T68-H70 PolarHBondContact O-N 3.24Å; T68-H70 VanDerWaalsContact O-N 3.13Å; H70-I93 PolarHBondContact O-N 2.75Å |
| 71 | A | 96.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T68 V91 R92 | T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 PolarHBondContact OG1-N 3.03Å; T68-A71 PolarHBondContact OG1-O 3.24Å; A71-V91 WeakPolarHBondContact CA-O 3.14Å; A71-V91 WeakPolarHBondContact CB-O 3.33Å; A71-R92 HydrophobicContact CB-CG 4.29Å |
| 72 | V | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.3 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | Y34 V64 I74 V91 I93 I96 | Y34-V72 HydrophobicContact CD2-CG2 4.34Å; Y34-V72 HydrophobicContact CG-CG2 4.22Å; V64-V72 HydrophobicContact CB-CG1 4.01Å; V64-V72 HydrophobicContact CG1-CG1 3.35Å; V64-V72 HydrophobicContact CG2-CG1 3.53Å; V72-I74 HydrophobicContact CG1-CG1 4.22Å; V72-V91 PolarHBondContact N-O 3.46Å; V72-V91 PolarHBondContact O-N 2.59Å; V72-I93 HydrophobicContact CG2-CG1 4.13Å; V72-I96 HydrophobicContact CB-CD1 3.71Å; V72-I96 HydrophobicContact CG2-CD1 4.12Å |
| 73 | G | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V64 Y65 N66 I89 | V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.45Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 2.82Å; N66-G73 PolarHBondContact N-O 3.16Å; N66-G73 PolarHBondContact O-N 3.44Å; G73-I89 CarbonylContact C-O 3.57Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å |
| 74 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.2 | -178.4 | -54.3 | 166.1 | 0 | 0 | 0 | 110 | V40 I42 R63 V72 V76 R88 I89 V91 I96 | V40-I74 HydrophobicContact CG2-CD1 3.6Å; V40-I74 HydrophobicContact CG2-CG1 3.83Å; V40-I74 HydrophobicContact CG2-CG2 4.1Å; I42-I74 HydrophobicContact CD1-CD1 4.23Å; I42-I74 HydrophobicContact CD1-CG2 4.25Å; I42-I74 HydrophobicContact CG1-CD1 3.82Å; R63-I74 CarbonylContact O-C 3.5Å; R63-I74 WeakPolarHBondContact O-CA 3.43Å; V72-I74 HydrophobicContact CG1-CG1 4.22Å; I74-V76 HydrophobicContact CG2-CG2 3.8Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; I74-I89 HydrophobicContact CB-CG1 4.06Å; I74-I89 PolarHBondContact N-O 3.31Å; I74-I89 WeakPolarHBondContact O-CG1 3.24Å; I74-I89 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.39Å; I74-I96 HydrophobicContact CD1-CD1 3.62Å; I74-I96 HydrophobicContact CD1-CG1 3.82Å; I74-I96 HydrophobicContact CD1-CG2 4.33Å; I74-I96 HydrophobicContact CG1-CD1 4.49Å |
| 75 | V | 98 | Very high | 96.6 | Very high | 40 Ų | 40 | 77.2 Ų | 77.2 | 24% | 0.242 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.2 | 167.3 | -170 | 0 | 0 | 0 | 0 | 108.6 | G62 R63 Y65 A86 K87 R88 | G62-V75 WeakPolarHBondContact CA-O 3.39Å; R63-V75 PolarHBondContact N-O 3.31Å; R63-V75 VanDerWaalsContact N-O 3.09Å; R63-V75 PolarHBondContact O-N 3.42Å; Y65-V75 HydrophobicContact CD1-CG2 3.76Å; Y65-V75 HydrophobicContact CG-CG2 4.04Å; V75-A86 HydrophobicContact CG1-CB 3.9Å; V75-K87 WeakPolarHBondContact CA-O 3.45Å; V75-R88 HydrophobicContact CG2-CG 4.26Å |
| 76 | V | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.012 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.3 | 178 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | I42 Y57 K60 I74 K78 K87 I89 | I42-V76 HydrophobicContact CD1-CG2 3.38Å; Y57-V76 HydrophobicContact CD1-CB 4.18Å; Y57-V76 HydrophobicContact CD1-CG1 4.03Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.2Å; I74-V76 HydrophobicContact CG2-CG2 3.8Å; V76-K78 PolarHBondContact O-N 2.68Å; V76-K87 PolarHBondContact N-O 2.99Å; V76-K87 PolarHBondContact O-N 2.82Å; V76-I89 HydrophobicContact CG2-CD1 3.89Å; V76-I89 HydrophobicContact CG2-CG1 4.31Å |
| 77 | N | 96.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 78 Ų | 78 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 121.8 | 173.2 | -70.1 | -13.2 | 0 | 0 | 0 | 109.8 | I84 | N77-I84 HydrophobicContact CB-CG2 3.8Å |
| 78 | K | 96 | Very high | 96.6 | Very high | 71 Ų | 71 | 83.9 Ų | 83.9 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.7 | 175.6 | -177.6 | 176.2 | 178 | 179 | 0 | 109.3 | Y57 V76 V80 L85 K87 | Y57-K78 HydrophobicContact CE1-CB 4.36Å; Y57-K78 HydrophobicContact CE1-CD 4.11Å; V76-K78 PolarHBondContact O-N 2.68Å; K78-V80 HydrophobicContact CD-CG2 4.3Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-L85 PolarHBondContact N-O 3.42Å; K78-L85 PolarHBondContact O-N 3.11Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å |
| 79 | Q | 95.8 | Very high | 96.6 | Very high | 143 Ų | 143 | 81.4 Ų | 81.4 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.9 | 169.3 | -170.5 | 175.5 | 0.3 | 0 | 0 | 109.7 | K83 | Q79-K83 WeakPolarHBondContact CA-O 3.35Å |
| 80 | V | 95.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 110.3 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 107 | K78 G82 K83 L85 | K78-V80 HydrophobicContact CD-CG2 4.3Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; V80-G82 PolarHBondContact O-N 2.88Å; V80-K83 PolarHBondContact N-O 3.38Å; V80-K83 PolarHBondContact O-N 3.13Å; V80-K83 VanDerWaalsContact O-N 3.16Å; V80-L85 HydrophobicContact CB-CD1 4.22Å; V80-L85 HydrophobicContact CG2-CD1 4.13Å |
| 81 | K | 93.9 | Very high | 96.8 | Very high | 200 Ų | 200 | 73.9 Ų | 73.9 | 87% | 0.87 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -125.9 | -169.3 | -56.9 | 179.2 | 175.4 | -176.1 | 0 | 109.7 | ||
| 82 | G | 95.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 76.1 Ų | 76.1 | 79% | 0.794 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 2.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116 | V80 | V80-G82 PolarHBondContact O-N 2.88Š|
| 83 | K | 96.9 | Very high | 96.8 | Very high | 159 Ų | 159 | 77.3 Ų | 77.3 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.5 | -175 | -63.8 | -176.2 | -179.7 | -177.4 | 0 | 111.9 | Q79 V80 | Q79-K83 WeakPolarHBondContact CA-O 3.35Å; V80-K83 PolarHBondContact N-O 3.38Å; V80-K83 PolarHBondContact O-N 3.13Å; V80-K83 VanDerWaalsContact O-N 3.16Å |
| 84 | I | 96.7 | Very high | 96.7 | Very high | 123 Ų | 123 | 77.8 Ų | 77.8 | 63% | 0.631 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.9 | 173 | -59.9 | 173.9 | 0 | 0 | 0 | 108.3 | N77 | N77-I84 HydrophobicContact CB-CG2 3.8Å |
| 85 | L | 96.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 77.8 Ų | 77.8 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.9 | -179.3 | -60.1 | 178.1 | 0 | 0 | 0 | 110.4 | K78 V80 K87 | K78-L85 PolarHBondContact N-O 3.42Å; K78-L85 PolarHBondContact O-N 3.11Å; V80-L85 HydrophobicContact CB-CD1 4.22Å; V80-L85 HydrophobicContact CG2-CD1 4.13Å; L85-K87 PolarHBondContact O-N 3Å |
| 86 | A | 97.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 76 Ų | 76 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 116.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V75 | V75-A86 HydrophobicContact CG1-CB 3.9Å |
| 87 | K | 97.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 80.7 Ų | 80.7 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.3 | 177.3 | -65 | -61.9 | -177.5 | -175 | 0 | 109.7 | Y57 V75 V76 K78 L85 | Y57-K87 HydrophobicContact CE1-CB 4.18Å; V75-K87 WeakPolarHBondContact CA-O 3.45Å; V76-K87 PolarHBondContact N-O 2.99Å; V76-K87 PolarHBondContact O-N 2.82Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å; L85-K87 PolarHBondContact O-N 3Å |
| 88 | R | 97.8 | Very high | 96.5 | Very high | 190 Ų | 190 | 79 Ų | 79 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.6 | 171.5 | -65.6 | -178.1 | 179.6 | 171.5 | 0.6 | 108.8 | Y65 I74 V75 | Y65-R88 HydrophobicContact CD1-CG 4.39Å; Y65-R88 HydrophobicContact CE1-CB 3.96Å; Y65-R88 HydrophobicContact CE1-CG 4.15Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; V75-R88 HydrophobicContact CG2-CG 4.26Å |
| 89 | I | 97.2 | Very high | 96.5 | Very high | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.2 | 177.5 | 61.7 | 173.1 | 0 | 0 | 0 | 109.6 | I42 Y57 G73 I74 V76 V91 | I42-I89 HydrophobicContact CD1-CD1 3.63Å; Y57-I89 HydrophobicContact CD1-CD1 4.46Å; Y57-I89 HydrophobicContact CD2-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CG2 4.06Å; Y57-I89 HydrophobicContact CE1-CG2 4.3Å; Y57-I89 HydrophobicContact CE2-CG2 3.67Å; Y57-I89 HydrophobicContact CG-CD1 4.04Å; G73-I89 CarbonylContact C-O 3.57Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å; I74-I89 HydrophobicContact CB-CG1 4.06Å; I74-I89 PolarHBondContact N-O 3.31Å; I74-I89 WeakPolarHBondContact O-CG1 3.24Å; I74-I89 PolarHBondContact O-N 3.29Å; V76-I89 HydrophobicContact CG2-CD1 3.89Å; V76-I89 HydrophobicContact CG2-CG1 4.31Å; I89-V91 HydrophobicContact CB-CG2 4.27Å; I89-V91 HydrophobicContact CD1-CG2 3.59Å; I89-V91 HydrophobicContact CG1-CG2 3.85Å |
| 90 | N | 97.3 | Very high | 96.4 | Very high | 114 Ų | 114 | 78.2 Ų | 78.2 | 61% | 0.61 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.4 | 173.4 | -62.3 | -23.8 | 0 | 0 | 0 | 107.6 | Y65 | Y65-N90 PolarHBondContact OH-OD1 2.94Å |
| 91 | V | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.9 | -173.2 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | G51 P53 A71 V72 I74 I89 H95 I96 | G51-V91 WeakPolarHBondContact O-CA 3.33Å; P53-V91 HydrophobicContact CB-CG2 4.19Å; P53-V91 HydrophobicContact CG-CG1 4.48Å; A71-V91 WeakPolarHBondContact CA-O 3.14Å; A71-V91 WeakPolarHBondContact CB-O 3.33Å; V72-V91 PolarHBondContact N-O 3.46Å; V72-V91 PolarHBondContact O-N 2.59Å; I74-V91 HydrophobicContact CD1-CB 4.39Å; I89-V91 HydrophobicContact CB-CG2 4.27Å; I89-V91 HydrophobicContact CD1-CG2 3.59Å; I89-V91 HydrophobicContact CG1-CG2 3.85Å; V91-H95 HydrophobicContact CG1-CB 3.58Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.95Å; V91-I96 HydrophobicContact CG1-CG1 3.74Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å |
| 92 | R | 97.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 25% | 0.249 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 157.3 | 176.6 | -73.5 | -172.9 | 170.2 | -158.8 | -8.3 | 112.5 | K50 G51 A71 E94 H95 I96 | K50-R92 WeakPolarHBondContact O-CD 3.15Å; G51-R92 PolarHBondContact O-N 2.78Å; A71-R92 HydrophobicContact CB-CG 4.29Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 3.53Å; R92-E94 PolarHBondContact O-N 2.87Å; R92-H95 PolarHBondContact O-N 3.45Å; R92-H95 VanDerWaalsContact O-N 3.07Å; R92-I96 WeakPolarHBondContact O-CD1 3.33Å; R92-I96 WeakPolarHBondContact O-CG1 3.27Å |
| 93 | I | 96.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -58.1 | -33 | -174 | -65.1 | 164.5 | 0 | 0 | 0 | 112.2 | T29 Y34 H70 V72 H95 I96 | T29-I93 VanDerWaalsContact O-CG2 3.27Å; T29-I93 WeakPolarHBondContact O-CG2 3.43Å; Y34-I93 HydrophobicContact CD2-CG2 4.43Å; Y34-I93 HydrophobicContact CE2-CG2 3.78Å; H70-I93 PolarHBondContact O-N 2.75Å; V72-I93 HydrophobicContact CG2-CG1 4.13Å; I93-H95 PolarHBondContact O-N 3.12Å; I93-H95 VanDerWaalsContact O-N 3.16Å; I93-I96 PolarHBondContact O-N 2.9Å; I93-I96 VanDerWaalsContact O-N 3.12Å |
| 94 | E | 96.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -61.9 | -27.7 | -179.9 | -51.4 | 92.2 | 147.5 | 0 | 0 | 112.4 | Y30 M45 V48 R92 | Y30-E94 HydrophobicContact CE1-CG 3.57Å; M45-E94 WeakPolarHBondContact CE-O 3.48Å; M45-E94 HydrophobicContact SD-CB 4.5Å; V48-E94 HydrophobicContact CG2-CB 4.4Å; V48-E94 HydrophobicContact CG2-CG 4.04Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 3.53Å; R92-E94 PolarHBondContact O-N 2.87Å |
| 95 | H | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -94.6 | 8.5 | -177.6 | -56 | -46.5 | 0 | 0 | 0 | 113.6 | K43 M45 V48 G51 P53 V91 R92 I93 | K43-H95 CarbonylContact C-O 3.6Å; K43-H95 PolarHBondContact N-O 3.1Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 WeakPolarHBondContact O-CA 3.34Å; M45-H95 PolarHBondContact N-ND1 3.4Å; M45-H95 PolarHBondContact O-CE1 2.81Å; M45-H95 VanDerWaalsContact O-CE1 3.32Å; V48-H95 PolarHBondContact O-CE1 3.06Å; V48-H95 PolarHBondContact O-NE2 3.49Å; G51-H95 PolarHBondContact O-CD2 3.18Å; P53-H95 HydrophobicContact CG-CB 4.39Å; V91-H95 HydrophobicContact CG1-CB 3.58Å; R92-H95 PolarHBondContact O-N 3.45Å; R92-H95 VanDerWaalsContact O-N 3.07Å; I93-H95 PolarHBondContact O-N 3.12Å; I93-H95 VanDerWaalsContact O-N 3.16Å |
| 96 | I | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.4 | -172.7 | -57.4 | 165.6 | 0 | 0 | 0 | 109.4 | Y34 V40 D41 V72 I74 V91 R92 I93 | Y34-I96 HydrophobicContact CD1-CG2 4.49Å; Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.19Å; V40-I96 HydrophobicContact CB-CG2 3.48Å; V40-I96 VanDerWaalsContact CB-CG2 3.48Å; V40-I96 HydrophobicContact CG1-CG2 3.88Å; V40-I96 HydrophobicContact CG2-CG2 3.78Å; D41-I96 WeakPolarHBondContact O-CA 2.98Å; V72-I96 HydrophobicContact CB-CD1 3.71Å; V72-I96 HydrophobicContact CG2-CD1 4.12Å; I74-I96 HydrophobicContact CD1-CD1 3.62Å; I74-I96 HydrophobicContact CD1-CG1 3.82Å; I74-I96 HydrophobicContact CD1-CG2 4.33Å; I74-I96 HydrophobicContact CG1-CD1 4.49Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.95Å; V91-I96 HydrophobicContact CG1-CG1 3.74Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å; R92-I96 WeakPolarHBondContact O-CD1 3.33Å; R92-I96 WeakPolarHBondContact O-CG1 3.27Å; I93-I96 PolarHBondContact O-N 2.9Å; I93-I96 VanDerWaalsContact O-N 3.12Å |
| 97 | K | 95.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 70.3 Ų | 70.3 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.5 | 171.8 | -59.5 | -176.3 | -176.9 | -178.6 | 0 | 109.5 | V40 D41 | V40-K97 CarbonylContact C-O 3.48Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.29Å; V40-K97 WeakPolarHBondContact CB-O 3.41Å; D41-K97 PolarHBondContact N-O 3.28Å; D41-K97 PolarHBondContact O-N 3.37Å |
| 98 | H | 96.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 69.7 Ų | 69.7 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 137.2 | 169 | -73.8 | 83.2 | 0 | 0 | 0 | 110.4 | I33 Y34 D38 | I33-H98 PolarHBondContact O-CE1 2.91Å; I33-H98 PolarHBondContact O-NE2 3.5Å; Y34-H98 AromaticContact CD1-CE1 3.35Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.34Å; Y34-H98 AromaticContact CD1-ND1 3.98Å; Y34-H98 AromaticContact CD1-NE2 3.63Å; Y34-H98 AromaticContact CE1-CE1 3.24Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y34-H98 AromaticContact CE1-ND1 3.39Å; Y34-H98 WeakPolarHBondContact CE1-ND1 3.47Å; Y34-H98 AromaticContact CE1-NE2 3.84Å; Y34-H98 AromaticContact CG-CE1 3.98Å; Y34-H98 AromaticContact CZ-CE1 3.76Å; Y34-H98 AromaticContact CZ-ND1 3.78Å; D38-H98 IonicContact OD2-CD2 3.9Å; D38-H98 IonicContact OD2-NE2 3.86Å; D38-H98 PolarHBondContact OD2-NE2 2.95Å |
| 99 | S | 95.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | trans | -79.5 | 126.5 | 177.4 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | I39 D41 S101 R102 | I39-S99 PolarHBondContact O-N 3.47Å; D41-S99 PolarHBondContact OD1-OG 3.26Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.41Å; D41-S99 PolarHBondContact OD2-OG 3.12Å; S99-S101 PolarHBondContact O-N 3.35Å; S99-S101 PolarHBondContact OG-OG 3.07Å; S99-R102 PolarHBondContact O-N 3.46Å | ||
| 100 | K | 93.8 | Very high | 95.5 | Very high | 182 Ų | 182 | 69.5 Ų | 69.5 | 79% | 0.791 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.4 | -18.4 | 176.1 | -65.8 | -173.6 | 178.3 | -175.2 | 0 | 113 | R102 D103 S104 | K100-R102 PolarHBondContact O-N 3.28Å; K100-D103 PolarHBondContact O-N 3.16Å; K100-S104 PolarHBondContact O-N 3.2Å |
| 101 | S | 91.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 69 Ų | 69 | 49% | 0.49 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -33.9 | 178.5 | 62 | 0 | 0 | 0 | 0 | 113.1 | S99 S104 | S99-S101 PolarHBondContact O-N 3.35Å; S99-S101 PolarHBondContact OG-OG 3.07Å; S101-S104 PolarHBondContact O-OG 3.42Å |
| 102 | R | 93.8 | Very high | 95.5 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -80.3 | -33.7 | 179.3 | -173.1 | 57 | 174.2 | -178.7 | 2.2 | 112.4 | I39 S99 K100 F105 L106 | I39-R102 HydrophobicContact CB-CB 4.45Å; I39-R102 HydrophobicContact CD1-CB 4.26Å; I39-R102 HydrophobicContact CD1-CG 4.29Å; S99-R102 PolarHBondContact O-N 3.46Å; K100-R102 PolarHBondContact O-N 3.28Å; R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 PolarHBondContact O-N 3.12Å; R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.18Å; R102-L106 WeakPolarHBondContact O-CG 3.41Å; R102-L106 PolarHBondContact O-N 3.38Å |
| 103 | D | 92.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 72 Ų | 72 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | -178.7 | -178 | 38.4 | 0 | 0 | 0 | 111.6 | K100 F105 L106 K107 | K100-D103 PolarHBondContact O-N 3.16Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.19Å; D103-L106 PolarHBondContact O-N 2.92Å; D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3Å; D103-K107 VanDerWaalsContact OD1-CE 3.28Å; D103-K107 WeakPolarHBondContact OD1-CE 2.97Å; D103-K107 IonicContact OD1-NZ 2.75Å; D103-K107 WeakPolarHBondContact OD2-CE 3.5Å; D103-K107 IonicContact OD2-NZ 3.19Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å |
| 104 | S | 92.4 | Very high | 95.5 | Very high | 76 Ų | 76 | 75.3 Ų | 75.3 | 53% | 0.531 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | K100 S101 R108 | K100-S104 PolarHBondContact O-N 3.2Å; S101-S104 PolarHBondContact O-OG 3.42Å; S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 PolarHBondContact O-N 3.26Å |
| 105 | F | 95.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.6 | 175.8 | -92.8 | 0 | 0 | 0 | 111.9 | R102 D103 R108 V109 | R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 PolarHBondContact O-N 3.12Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.19Å; F105-R108 VanDerWaalsContact CD2-NH2 3.32Å; F105-R108 PolarHBondContact O-N 2.81Å; F105-V109 HydrophobicContact CD1-CG2 4.05Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.3Å; F105-V109 HydrophobicContact CZ-CG2 3.68Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.22Å |
| 106 | L | 95.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 86 Ų | 86 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | -178.5 | -71.6 | 175.5 | 0 | 0 | 0 | 112.2 | R102 D103 R108 V109 K110 | R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.18Å; R102-L106 WeakPolarHBondContact O-CG 3.41Å; R102-L106 PolarHBondContact O-N 3.38Å; D103-L106 PolarHBondContact O-N 2.92Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-V109 PolarHBondContact O-N 3.48Å; L106-K110 PolarHBondContact O-N 3.01Å |
| 107 | K | 95.8 | Very high | 95.4 | Very high | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57 | -48.7 | 172.4 | -74.3 | 169.6 | 174.9 | 164.9 | 0 | 111 | D103 V109 K110 E111 | D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3Å; D103-K107 VanDerWaalsContact OD1-CE 3.28Å; D103-K107 WeakPolarHBondContact OD1-CE 2.97Å; D103-K107 IonicContact OD1-NZ 2.75Å; D103-K107 WeakPolarHBondContact OD2-CE 3.5Å; D103-K107 IonicContact OD2-NZ 3.19Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å; K107-V109 PolarHBondContact O-N 2.94Å; K107-K110 WeakPolarHBondContact O-CB 3.47Å; K107-K110 PolarHBondContact O-N 2.93Å; K107-E111 WeakPolarHBondContact O-CG 3.37Å; K107-E111 PolarHBondContact O-N 3.05Å |
| 108 | R | 95.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 90.7 Ų | 90.7 | 24% | 0.242 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 177.5 | -175.3 | 169.9 | 58.7 | 79.8 | 0.1 | 113.9 | S104 F105 L106 E111 N112 | S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 PolarHBondContact O-N 3.26Å; F105-R108 VanDerWaalsContact CD2-NH2 3.32Å; F105-R108 PolarHBondContact O-N 2.81Å; L106-R108 VanDerWaalsContact C-N 3.34Å; R108-E111 PolarHBondContact O-N 3.23Å; R108-N112 VanDerWaalsContact O-CB 3.29Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 VanDerWaalsContact O-CG 3.29Å; R108-N112 PolarHBondContact O-N 3.33Å |
| 109 | V | 97.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 87.7 Ų | 87.7 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 174.3 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | F105 L106 K107 E111 N112 D113 | F105-V109 HydrophobicContact CD1-CG2 4.05Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.3Å; F105-V109 HydrophobicContact CZ-CG2 3.68Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.22Å; L106-V109 PolarHBondContact O-N 3.48Å; K107-V109 PolarHBondContact O-N 2.94Å; V109-E111 PolarHBondContact O-N 2.98Å; V109-N112 PolarHBondContact O-N 3.12Å; V109-D113 VanDerWaalsContact O-CG 3.27Å; V109-D113 PolarHBondContact O-N 3.13Å |
| 110 | K | 96.9 | Very high | 95.5 | Very high | 157 Ų | 157 | 95.7 Ų | 95.7 | 68% | 0.683 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 177.8 | -66.1 | 179.6 | 178.5 | -173 | 0 | 112.4 | L106 K107 N112 D113 Q114 | L106-K110 PolarHBondContact O-N 3.01Å; K107-K110 WeakPolarHBondContact O-CB 3.47Å; K107-K110 PolarHBondContact O-N 2.93Å; K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 3.17Å; K110-D113 PolarHBondContact O-N 3.31Å; K110-Q114 PolarHBondContact O-N 3.45Å |
| 111 | E | 96.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 93.6 Ų | 93.6 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.8 | -70.9 | 165.3 | -161.7 | 0 | 0 | 112.1 | K107 R108 V109 Q114 K115 | K107-E111 WeakPolarHBondContact O-CG 3.37Å; K107-E111 PolarHBondContact O-N 3.05Å; R108-E111 PolarHBondContact O-N 3.23Å; V109-E111 PolarHBondContact O-N 2.98Å; E111-Q114 PolarHBondContact O-N 3.13Å; E111-K115 WeakPolarHBondContact O-CG 3.42Å; E111-K115 PolarHBondContact O-N 3.04Å |
| 112 | N | 97.3 | Very high | 95.8 | Very high | 30 Ų | 30 | 97.5 Ų | 97.5 | 16% | 0.16 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 178.1 | -80.9 | 4.7 | 0 | 0 | 0 | 112 | R108 V109 K110 Q114 K115 K116 L128 | R108-N112 VanDerWaalsContact O-CB 3.29Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 VanDerWaalsContact O-CG 3.29Å; R108-N112 PolarHBondContact O-N 3.33Å; V109-N112 PolarHBondContact O-N 3.12Å; K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 3.17Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; N112-K115 PolarHBondContact O-N 2.96Å; N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 PolarHBondContact O-N 3.32Å; N112-L128 HydrophobicContact CB-CD2 4.14Å; N112-L128 PolarHBondContact ND2-O 3.32Å |
| 113 | D | 96.9 | Very high | 95.9 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.9 | -68.7 | -25.2 | 0 | 0 | 0 | 111 | V109 K110 K116 K117 | V109-D113 VanDerWaalsContact O-CG 3.27Å; V109-D113 PolarHBondContact O-N 3.13Å; K110-D113 PolarHBondContact O-N 3.31Å; D113-K116 PolarHBondContact O-N 3.45Å; D113-K117 PolarHBondContact O-N 3.06Å |
| 114 | Q | 96.6 | Very high | 96 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 174.5 | -176.5 | 60 | 28.7 | 0 | 0 | 111.7 | K110 E111 N112 K116 K117 E118 | K110-Q114 PolarHBondContact O-N 3.45Å; E111-Q114 PolarHBondContact O-N 3.13Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 3.4Å; Q114-K117 WeakPolarHBondContact O-CB 3.39Å; Q114-K117 PolarHBondContact O-N 2.72Å; Q114-K117 VanDerWaalsContact O-N 3.11Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 3.39Å; Q114-E118 WeakPolarHBondContact O-CG 2.99Å; Q114-E118 PolarHBondContact O-N 2.77Å |
| 115 | K | 96 | Very high | 96 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 46% | 0.457 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 176.5 | -73.3 | 175 | -177.6 | 179.8 | 0 | 112.5 | E111 N112 A119 L128 | E111-K115 WeakPolarHBondContact O-CG 3.42Å; E111-K115 PolarHBondContact O-N 3.04Å; N112-K115 PolarHBondContact O-N 2.96Å; K115-A119 VanDerWaalsContact O-CB 3.22Å; K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.34Å; K115-L128 HydrophobicContact CB-CD2 4.16Å |
| 116 | K | 96.3 | Very high | 96 | Very high | 133 Ų | 133 | 101.5 Ų | 101.5 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 177.3 | -171.5 | -177.6 | -179.4 | -176.2 | 0 | 111.4 | N112 D113 Q114 K120 L128 | N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 PolarHBondContact O-N 3.32Å; D113-K116 PolarHBondContact O-N 3.45Å; Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 3.4Å; K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 2.67Å; K116-K120 VanDerWaalsContact O-N 3.1Å; K116-L128 HydrophobicContact CB-CD1 4.45Å |
| 117 | K | 96.7 | Very high | 96 | Very high | 127 Ų | 127 | 102.9 Ų | 102.9 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -49.5 | 176.8 | -171.5 | -178.8 | 174.9 | -170.8 | 0 | 111.1 | D113 Q114 A119 K120 E121 | D113-K117 PolarHBondContact O-N 3.06Å; Q114-K117 WeakPolarHBondContact O-CB 3.39Å; Q114-K117 PolarHBondContact O-N 2.72Å; Q114-K117 VanDerWaalsContact O-N 3.11Å; K117-A119 PolarHBondContact O-N 3.5Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 3.28Å; K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.31Å; K117-E121 PolarHBondContact O-N 2.94Å |
| 118 | E | 96.5 | Very high | 96 | Very high | 73 Ų | 73 | 100.4 Ų | 100.4 | 34% | 0.341 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.7 | -69.8 | 170.8 | -166.3 | 0 | 0 | 112.8 | Q114 K120 E121 K122 | Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 3.39Å; Q114-E118 WeakPolarHBondContact O-CG 2.99Å; Q114-E118 PolarHBondContact O-N 2.77Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-E121 PolarHBondContact O-N 3.43Å; E118-K122 WeakPolarHBondContact O-CB 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.24Å |
| 119 | A | 95.8 | Very high | 96 | Very high | 10 Ų | 10 | 105.7 Ų | 105.7 | 8% | 0.083 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | K115 K117 K122 G123 T124 V126 | K115-A119 VanDerWaalsContact O-CB 3.22Å; K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.34Å; K117-A119 PolarHBondContact O-N 3.5Å; A119-K122 PolarHBondContact O-N 3.4Å; A119-G123 PolarHBondContact O-N 3.44Å; A119-T124 WeakPolarHBondContact CB-O 3.36Å; A119-T124 PolarHBondContact O-N 2.71Å; A119-V126 HydrophobicContact CB-CB 3.91Å; A119-V126 HydrophobicContact CB-CG1 3.56Å |
| 120 | K | 96 | Very high | 95.9 | Very high | 182 Ų | 182 | 112.2 Ų | 112.2 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175.3 | -171.1 | -179.9 | -179.9 | -174.7 | 0 | 112 | K116 K117 E118 G123 | K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 2.67Å; K116-K120 VanDerWaalsContact O-N 3.1Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 3.28Å; E118-K120 VanDerWaalsContact C-N 3.33Å; K120-G123 PolarHBondContact O-N 2.93Å |
| 121 | E | 96.4 | Very high | 95.8 | Very high | 138 Ų | 138 | 110.6 Ų | 110.6 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -38.8 | 177.1 | -72.3 | 170.2 | -173.5 | 0 | 0 | 112 | K117 E118 G123 | K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.31Å; K117-E121 PolarHBondContact O-N 2.94Å; E118-E121 PolarHBondContact O-N 3.43Å; E121-G123 VanDerWaalsContact C-N 3.34Å |
| 122 | K | 96.3 | Very high | 95.8 | Very high | 153 Ų | 153 | 110.5 Ų | 110.5 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.2 | -9.1 | 177.9 | -67 | 175.6 | -178.2 | 176.3 | 0 | 114 | E118 A119 T124 | E118-K122 WeakPolarHBondContact O-CB 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.24Å; A119-K122 PolarHBondContact O-N 3.4Å; K122-T124 HydrophobicContact CB-CG2 4.22Å; K122-T124 PolarHBondContact O-N 3.45Å |
| 123 | G | 94.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67 | 18.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A119 K120 E121 | A119-G123 PolarHBondContact O-N 3.44Å; K120-G123 PolarHBondContact O-N 2.93Å; E121-G123 VanDerWaalsContact C-N 3.34Å |
| 124 | T | 95.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 114 Ų | 114 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | trans | -98.3 | 153.9 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | A119 K122 | A119-T124 WeakPolarHBondContact CB-O 3.36Å; A119-T124 PolarHBondContact O-N 2.71Å; K122-T124 HydrophobicContact CB-CG2 4.22Å; K122-T124 PolarHBondContact O-N 3.45Å | ||
| 125 | W | 93.3 | Very high | 95.7 | Very high | 211 Ų | 211 | 114.9 Ų | 114.9 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | trans | -87.2 | 140.8 | 173.7 | -177.4 | 88.5 | 0 | 0 | 0 | 110.9 | Q127 | W125-Q127 HydrophobicContact CH2-CB 3.72Å; W125-Q127 HydrophobicContact CH2-CG 4.2Å; W125-Q127 HydrophobicContact CZ3-CB 3.84Å | ||
| 126 | V | 95.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 121.1 Ų | 121.1 | 32% | 0.315 | 60% | 0.604 | S | S | . | * | trans | -130.2 | 132.6 | -179.6 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | A119 L128 | A119-V126 HydrophobicContact CB-CB 3.91Å; A119-V126 HydrophobicContact CB-CG1 3.56Å; V126-L128 HydrophobicContact CG1-CD2 4.16Å; V126-L128 HydrophobicContact CG1-CG 4.27Å; V126-L128 HydrophobicContact CG2-CD2 4.35Å | ||
| 127 | Q | 94.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 122.9 Ų | 122.9 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | trans | -85.9 | 110.8 | 173.4 | -172.4 | 172.8 | -79 | 0 | 0 | 111.2 | W125 | W125-Q127 HydrophobicContact CH2-CB 3.72Å; W125-Q127 HydrophobicContact CH2-CG 4.2Å; W125-Q127 HydrophobicContact CZ3-CB 3.84Å | ||
| 128 | L | 95.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 122.2 Ų | 122.2 | 31% | 0.314 | 63% | 0.632 | S | S | . | * | trans | -93.4 | -11.1 | -178.5 | -62.5 | 173 | 0 | 0 | 0 | 114.3 | N112 K115 K116 V126 | N112-L128 HydrophobicContact CB-CD2 4.14Å; N112-L128 PolarHBondContact ND2-O 3.32Å; K115-L128 HydrophobicContact CB-CD2 4.16Å; K116-L128 HydrophobicContact CB-CD1 4.45Å; V126-L128 HydrophobicContact CG1-CD2 4.16Å; V126-L128 HydrophobicContact CG1-CG 4.27Å; V126-L128 HydrophobicContact CG2-CD2 4.35Å | ||
| 129 | K | 95.8 | Very high | 95.5 | Very high | 175 Ų | 175 | 125.3 Ų | 125.3 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -76 | 141.6 | 179.5 | -69.7 | -176.8 | -179.1 | 176.1 | 0 | 109.9 | ||
| 130 | R | 95.1 | Very high | 95.4 | Very high | 188 Ų | 188 | 132.8 Ų | 132.8 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | trans | -72.5 | 140.1 | 172.1 | -65.9 | -179.6 | -67.5 | 174.5 | 2.6 | 109.1 | ||||
| 131 | Q | 95.1 | Very high | 95.3 | Very high | 122 Ų | 122 | 129.2 Ų | 129.2 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -105.5 | 146.8 | 172.4 | -61.8 | -58.8 | -18.6 | 0 | 0 | 110 | ||||
| 132 | P | 96.8 | Very high | 95 | Very high | 103 Ų | 103 | 131.4 Ų | 131.4 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 168.3 | 166.6 | 30.5 | -34.3 | 0 | 0 | 0 | 110.2 | P134 | P132-P134 WeakPolarHBondContact O-CD 2.79Š|
| 133 | A | 96.3 | Very high | 94.6 | Very high | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59 | 120.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 134 | P | 95.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 131.6 Ų | 131.6 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 162.3 | 175.8 | 30.7 | -34.3 | 0 | 0 | 0 | 110.3 | P132 | P132-P134 WeakPolarHBondContact O-CD 2.79Š|
| 135 | P | 97.3 | Very high | 93.7 | Very high | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 146.1 | 165.6 | 24.7 | -32.3 | 0 | 0 | 0 | 109.8 | E137 | P135-E137 PolarHBondContact O-N 3.34Š|
| 136 | R | 95.4 | Very high | 93.4 | Very high | 236 Ų | 236 | 129.6 Ų | 129.6 | 89% | 0.891 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.9 | 177.9 | -69.7 | -178 | 176 | -179.4 | -1.5 | 109.1 | ||
| 137 | E | 95.8 | Very high | 93.1 | Very high | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 158 | 173.5 | -65.7 | 179.6 | -179.4 | 0 | 0 | 110.6 | P135 H139 | P135-E137 PolarHBondContact O-N 3.34Å; E137-H139 PolarHBondContact O-N 3.41Å |
| 138 | A | 95.9 | Very high | 93 | Very high | 112 Ų | 112 | 136.1 Ų | 136.1 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 129.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 139 | H | 95.1 | Very high | 92.8 | Very high | 139 Ų | 139 | 141.7 Ų | 141.7 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | trans | -138.5 | 149.9 | 175.3 | 70.3 | -73.3 | 0 | 0 | 0 | 109.8 | E137 V141 | E137-H139 PolarHBondContact O-N 3.41Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.4Å | ||
| 140 | F | 94.3 | Very high | 92.6 | Very high | 167 Ų | 167 | 140.6 Ų | 140.6 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | -91.3 | 123.8 | 177.6 | -173.3 | -111.7 | 0 | 0 | 0 | 109.9 | R142 | F140-R142 HydrophobicContact CD1-CG 3.54Å; F140-R142 HydrophobicContact CE1-CG 3.35Å; F140-R142 HydrophobicContact CZ-CG 4.5Å | ||
| 141 | V | 92.2 | Very high | 92.6 | Very high | 107 Ų | 107 | 138.7 Ų | 138.7 | 65% | 0.648 | 75% | 0.747 | S | S | * | * | trans | -94.7 | 115.3 | 175 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | H139 | H139-V141 WeakPolarHBondContact NE2-CG2 3.4Š| ||
| 142 | R | 91.1 | Very high | 92.5 | Very high | 184 Ų | 184 | 140.4 Ų | 140.4 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | -91.7 | 133 | 172.6 | -72.6 | -179.5 | -178.3 | -176.3 | 0.9 | 109.9 | F140 N144 | F140-R142 HydrophobicContact CD1-CG 3.54Å; F140-R142 HydrophobicContact CE1-CG 3.35Å; F140-R142 HydrophobicContact CZ-CG 4.5Å; R142-N144 VanDerWaalsContact C-N 3.33Å; R142-N144 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 143 | T | 87.4 | Confident | 92.4 | Very high | 85 Ų | 85 | 141.6 Ų | 141.6 | 52% | 0.521 | 76% | 0.763 | S | S | . | * | trans | -74.1 | -20.5 | 177.8 | 38.1 | 0 | 0 | 0 | 0 | 113.2 | G145 K146 P148 | T143-G145 PolarHBondContact O-N 2.88Å; T143-K146 WeakPolarHBondContact CB-O 3.31Å; T143-K146 WeakPolarHBondContact CG2-O 3.3Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.45Å; T143-P148 HydrophobicContact CG2-CG 4.38Å | ||
| 144 | N | 86.3 | Confident | 92.2 | Very high | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.3 | 45.8 | 177.8 | -70.7 | -7.3 | 0 | 0 | 0 | 113.5 | R142 K146 | R142-N144 VanDerWaalsContact C-N 3.33Å; R142-N144 WeakPolarHBondContact CB-OD1 3.36Å; N144-K146 VanDerWaalsContact C-N 3.35Å; N144-K146 PolarHBondContact O-N 3.38Å |
| 145 | G | 85.4 | Confident | 92 | Very high | 83 Ų | 83 | 143.7 Ų | 143.7 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.1 | 3.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T143 | T143-G145 PolarHBondContact O-N 2.88Š|
| 146 | K | 87.2 | Confident | 91.5 | Very high | 171 Ų | 171 | 147 Ų | 147 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -103.9 | 113.8 | 170.8 | -66.8 | -175.7 | 177.3 | -175.1 | 0 | 110.4 | T143 N144 | T143-K146 WeakPolarHBondContact CB-O 3.31Å; T143-K146 WeakPolarHBondContact CG2-O 3.3Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.45Å; N144-K146 VanDerWaalsContact C-N 3.35Å; N144-K146 PolarHBondContact O-N 3.38Å | ||
| 147 | E | 87.9 | Confident | 91.1 | Very high | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 144.5 | 175.2 | -63.7 | -176.6 | 171.7 | 0 | 0 | 110.6 | E149 | E147-E149 PolarHBondContact O-N 3.34Š|
| 148 | P | 92.3 | Very high | 90.2 | Very high | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 126.5 | 172.8 | -21.2 | 33 | 0 | 0 | 0 | 111.1 | T143 | T143-P148 HydrophobicContact CG2-CG 4.38Š|
| 149 | E | 90.9 | Very high | 89.4 | Confident | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 127.9 | 175.3 | -68.5 | 175.7 | -172.9 | 0 | 0 | 110.4 | E147 | E147-E149 PolarHBondContact O-N 3.34Š|
| 150 | L | 93 | Very high | 88.2 | Confident | 152 Ų | 152 | 146.4 Ų | 146.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 125.8 | 171 | -175.7 | 67.9 | 0 | 0 | 0 | 109 | ||
| 151 | L | 93.5 | Very high | 87.9 | Confident | 148 Ų | 148 | 145.4 Ų | 145.4 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -113 | 135.2 | 176.4 | -63.1 | 176.3 | 0 | 0 | 0 | 109.9 | ||||
| 152 | E | 93.4 | Very high | 87.7 | Confident | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -110.1 | 148.8 | 178.3 | -66.6 | -175.7 | 173.9 | 0 | 0 | 111.2 | I154 | E152-I154 PolarHBondContact O-N 3.06Š| ||
| 153 | P | 94.4 | Very high | 87.5 | Confident | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 133.6 | 175.8 | 27.5 | -33.1 | 0 | 0 | 0 | 110.8 | ||
| 154 | I | 91.8 | Very high | 87.5 | Confident | 150 Ų | 150 | 148.9 Ų | 148.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 135.8 | 176.4 | -55.5 | 173.7 | 0 | 0 | 0 | 108.8 | E152 | E152-I154 PolarHBondContact O-N 3.06Š|
| 155 | P | 90.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 149.3 Ų | 149.3 | 62% | 0.623 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 158.1 | 174 | 27.3 | -34.9 | 0 | 0 | 0 | 112 | E157 | P155-E157 PolarHBondContact O-N 3.05Š|
| 156 | Y | 88.4 | Confident | 87.7 | Confident | 187 Ų | 187 | 153.7 Ų | 153.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124.9 | 175.3 | 176.1 | -95.6 | 0 | 0 | 0 | 110.7 | F158 | Y156-F158 AromaticContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CE2 4.35Å; Y156-F158 AromaticContact CZ-CD2 3.91Å; Y156-F158 WeakPolarHBondContact OH-CD2 3.14Å; Y156-F158 WeakPolarHBondContact OH-CE2 3.21Å |
| 157 | E | 86.8 | Confident | 87.8 | Confident | 127 Ų | 127 | 152.5 Ų | 152.5 | 59% | 0.593 | 81% | 0.808 | S | S | * | * | trans | -125.2 | 139.2 | 174.3 | -67.3 | -175.1 | 170.3 | 0 | 0 | 110.2 | P155 M159 | P155-E157 PolarHBondContact O-N 3.05Å; E157-M159 PolarHBondContact O-N 3.49Å | ||
| 158 | F | 76.8 | Confident | 87.8 | Confident | 181 Ų | 181 | 150.6 Ų | 150.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -82 | 107.7 | 173.3 | -127.4 | -80.6 | 0 | 0 | 0 | 108.7 | Y156 | Y156-F158 AromaticContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CE2 4.35Å; Y156-F158 AromaticContact CZ-CD2 3.91Å; Y156-F158 WeakPolarHBondContact OH-CD2 3.14Å; Y156-F158 WeakPolarHBondContact OH-CE2 3.21Å | ||
| 159 | M | 77.4 | Confident | 87.4 | Confident | 162 Ų | 162 | 153.3 Ų | 153.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -94.7 | 120 | 172 | -70.8 | -174.9 | 175.7 | 0 | 0 | 109.7 | E157 | E157-M159 PolarHBondContact O-N 3.49Š| ||
| 160 | A | 71.5 | Confident | 87.1 | Confident | 175 Ų | 175 | 151.3 Ų | 151.3 | 100% | 1.446 | 81% | 0.809 | S | S | * | * | trans | -89.8 | 0 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 160 of 160 residues in 59.3 ms
(Link to these results)