| 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 | 91 | Very high | 97 | Very high | 201 Ų | 201 | 102.7 Ų | 102.7 | 99% | 0.99 | 58% | 0.577 | S | S | * | * | 0 | -50.6 | 0 | -63.7 | -176.4 | 85 | 0 | 0 | 112.5 | S3 A4 L5 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.44Å; M1-A4 PolarHBondContact O-N 2.97Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | Q | 96.8 | Very high | 96.8 | Very high | 157 Ų | 157 | 109.8 Ų | 109.8 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52 | -43.3 | -177.7 | -68.1 | -63.3 | -12.5 | 0 | 0 | 114.8 | A4 L5 K6 | Q2-A4 PolarHBondContact O-N 3.35Å; Q2-L5 PolarHBondContact O-N 3.46Å; Q2-K6 PolarHBondContact O-N 2.83Å |
| 3 | S | 97.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 110.7 Ų | 110.7 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.5 | -48.2 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | M1 L5 K6 T7 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact O-N 3Å; S3-K6 PolarHBondContact O-N 3.42Å; S3-T7 PolarHBondContact O-N 3.15Å; S3-T7 PolarHBondContact O-OG1 3.28Å |
| 4 | A | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 Q2 T7 F8 | M1-A4 PolarHBondContact O-N 2.97Å; M1-A4 VanDerWaalsContact O-N 3.09Å; Q2-A4 PolarHBondContact O-N 3.35Å; A4-T7 PolarHBondContact O-N 3.04Å; A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.45Å |
| 5 | L | 98.1 | Very high | 96.9 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 174.6 | -68.1 | 175.7 | 0 | 0 | 0 | 111.6 | M1 Q2 S3 F8 A9 | M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å; Q2-L5 PolarHBondContact O-N 3.46Å; S3-L5 PolarHBondContact O-N 3Å; L5-F8 PolarHBondContact O-N 3.18Å; L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 3.45Å |
| 6 | K | 98.1 | Very high | 96.9 | Very high | 148 Ų | 148 | 99.4 Ų | 99.4 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.9 | -49.3 | 174.4 | -174 | 179.1 | 179.6 | -178.5 | 0 | 110.5 | Q2 S3 F8 A9 V10 | Q2-K6 PolarHBondContact O-N 2.83Å; S3-K6 PolarHBondContact O-N 3.42Å; K6-F8 PolarHBondContact O-N 3.42Å; K6-A9 PolarHBondContact O-N 2.92Å; K6-A9 VanDerWaalsContact O-N 3.12Å; K6-V10 HydrophobicContact CG-CG1 4.23Å; K6-V10 HydrophobicContact CG-CG2 4.39Å; K6-V10 WeakPolarHBondContact O-CG1 3.49Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.08Å; K6-V10 PolarHBondContact O-N 3.29Å |
| 7 | T | 98.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 96.4 Ų | 96.4 | 37% | 0.368 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.2 | -49.5 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | S3 A4 A9 V10 D11 | S3-T7 PolarHBondContact O-N 3.15Å; S3-T7 PolarHBondContact O-OG1 3.28Å; A4-T7 PolarHBondContact O-N 3.04Å; T7-A9 PolarHBondContact O-N 3.34Å; T7-V10 PolarHBondContact O-N 3.41Å; T7-D11 HydrophobicContact CG2-CB 4.25Å; T7-D11 WeakPolarHBondContact O-CB 3.33Å; T7-D11 PolarHBondContact O-N 3.02Å |
| 8 | F | 98.2 | Very high | 97 | Very high | 55 Ų | 55 | 93.3 Ų | 93.3 | 24% | 0.241 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -60.1 | -31.1 | 177.7 | -178.5 | -112.5 | 0 | 0 | 0 | 113.4 | A4 L5 K6 V15 Y20 L23 L24 | A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.45Å; L5-F8 PolarHBondContact O-N 3.18Å; K6-F8 PolarHBondContact O-N 3.42Å; F8-V15 HydrophobicContact CD2-CG2 4.22Å; F8-V15 HydrophobicContact CE2-CG2 3.89Å; F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CE2 4.33Å; F8-Y20 AromaticContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CE2 4.07Å; F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.3Å; F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.46Å |
| 9 | A | 96.8 | Very high | 97 | Very high | 79 Ų | 79 | 90.7 Ų | 90.7 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -84.4 | -30.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L5 K6 T7 | L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 3.45Å; K6-A9 PolarHBondContact O-N 2.92Å; K6-A9 VanDerWaalsContact O-N 3.12Å; T7-A9 PolarHBondContact O-N 3.34Å |
| 10 | V | 96.8 | Very high | 97.1 | Very high | 103 Ų | 103 | 90.6 Ų | 90.6 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -110.4 | -21.9 | -171.5 | -52.1 | 0 | 0 | 0 | 0 | 114.2 | K6 T7 | K6-V10 HydrophobicContact CG-CG1 4.23Å; K6-V10 HydrophobicContact CG-CG2 4.39Å; K6-V10 WeakPolarHBondContact O-CG1 3.49Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.08Å; K6-V10 PolarHBondContact O-N 3.29Å; T7-V10 PolarHBondContact O-N 3.41Å |
| 11 | D | 97.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 89.8 Ų | 89.8 | 33% | 0.332 | 50% | 0.502 | S | S | . | . | trans | -110.1 | 99.9 | -179.1 | 178.5 | 7.4 | 0 | 0 | 0 | 109.9 | T7 T13 S14 | T7-D11 HydrophobicContact CG2-CB 4.25Å; T7-D11 WeakPolarHBondContact O-CB 3.33Å; T7-D11 PolarHBondContact O-N 3.02Å; D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 WeakPolarHBondContact OD1-CB 3.36Å; D11-T13 PolarHBondContact OD1-N 3.13Å; D11-T13 PolarHBondContact OD1-OG1 3.19Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.45Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.09Å | ||
| 12 | E | 94.1 | Very high | 97.5 | Very high | 188 Ų | 188 | 83.4 Ų | 83.4 | 88% | 0.879 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.7 | 178.6 | -61.1 | -176.2 | 178.7 | 0 | 0 | 113.1 | ||
| 13 | T | 96.8 | Very high | 97.5 | Very high | 121 Ų | 121 | 81 Ų | 81 | 74% | 0.742 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.1 | 177.5 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | D11 V15 | D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 WeakPolarHBondContact OD1-CB 3.36Å; D11-T13 PolarHBondContact OD1-N 3.13Å; D11-T13 PolarHBondContact OD1-OG1 3.19Å; T13-V15 VanDerWaalsContact C-N 3.26Å; T13-V15 PolarHBondContact O-N 3.34Å |
| 14 | S | 97.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 80.4 Ų | 80.4 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -65.6 | -25.2 | -177.9 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | D11 | D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.45Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.09Å |
| 15 | V | 97.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 80.2 Ų | 80.2 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -144.5 | 164.4 | 172.1 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | F8 T13 I19 | F8-V15 HydrophobicContact CD2-CG2 4.22Å; F8-V15 HydrophobicContact CE2-CG2 3.89Å; T13-V15 VanDerWaalsContact C-N 3.26Å; T13-V15 PolarHBondContact O-N 3.34Å; V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.41Å |
| 16 | S | 96.9 | Very high | 97.5 | Very high | 60 Ų | 60 | 79.8 Ų | 79.8 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | trans | -67.7 | 150.6 | 171.1 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | Y18 I19 Y20 | S16-Y18 PolarHBondContact O-N 3.34Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 WeakPolarHBondContact OG-CG1 3.33Å; S16-I19 PolarHBondContact OG-N 2.94Å; S16-Y20 PolarHBondContact O-N 2.99Å | ||
| 17 | G | 97.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 82.2 Ų | 82.2 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.3 | -34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y20 H21 | G17-Y20 PolarHBondContact O-N 3.29Å; G17-H21 PolarHBondContact O-CD2 2.73Å; G17-H21 PolarHBondContact O-N 3.45Å |
| 18 | Y | 97.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 81.3 Ų | 81.3 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 173.6 | -179.5 | -84.2 | 0 | 0 | 0 | 112.1 | S16 K22 V28 E29 V31 P64 L65 | S16-Y18 PolarHBondContact O-N 3.34Å; Y18-K22 HydrophobicContact CD1-CG 4.14Å; Y18-K22 HydrophobicContact CE1-CG 3.6Å; Y18-K22 HydrophobicContact CE2-CG 4.42Å; Y18-K22 PolarHBondContact O-N 3.12Å; Y18-K22 WeakPolarHBondContact OH-CE 3.29Å; Y18-V28 HydrophobicContact CD2-CG2 4.16Å; Y18-V28 HydrophobicContact CE2-CG2 3.94Å; Y18-E29 WeakPolarHBondContact CE2-O 3.47Å; Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.48Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.48Å; Y18-V31 HydrophobicContact CE2-CB 3.95Å; Y18-V31 HydrophobicContact CE2-CG2 3.66Å; Y18-V31 HydrophobicContact CG-CG2 4.43Å; Y18-P64 HydrophobicContact CD1-CB 3.87Å; Y18-P64 HydrophobicContact CD1-CG 3.39Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; Y18-L65 HydrophobicContact CE1-CB 4.33Å |
| 19 | I | 98.1 | Very high | 97.4 | Very high | 44 Ų | 44 | 87.2 Ų | 87.2 | 23% | 0.226 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 179.4 | -70 | 177.5 | 0 | 0 | 0 | 110 | V15 S16 H21 K22 L23 | V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.41Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 WeakPolarHBondContact OG-CG1 3.33Å; S16-I19 PolarHBondContact OG-N 2.94Å; I19-H21 PolarHBondContact O-N 3.32Å; I19-K22 PolarHBondContact O-N 3.15Å; I19-L23 HydrophobicContact CG2-CD1 3.65Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.33Å |
| 20 | Y | 98.3 | Very high | 97.3 | Very high | 89 Ų | 89 | 89.2 Ų | 89.2 | 35% | 0.349 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53.1 | -54.2 | 176.2 | 179.9 | -95.4 | 0 | 0 | 0 | 111.7 | F8 S16 G17 L23 L24 | F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CE2 4.33Å; F8-Y20 AromaticContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CE2 4.07Å; S16-Y20 PolarHBondContact O-N 2.99Å; G17-Y20 PolarHBondContact O-N 3.29Å; Y20-L23 PolarHBondContact O-N 2.94Å; Y20-L24 HydrophobicContact CD1-CD1 4.07Å; Y20-L24 HydrophobicContact CE1-CD1 3.44Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.44Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.23Å; Y20-L24 PolarHBondContact O-N 3.12Å; Y20-L24 VanDerWaalsContact O-N 3.13Å |
| 21 | H | 98.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 87.7 Ų | 87.7 | 34% | 0.338 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | -178.7 | -72.9 | -51.4 | 0 | 0 | 0 | 113.5 | G17 I19 L23 L24 G25 H26 V28 | G17-H21 PolarHBondContact O-CD2 2.73Å; G17-H21 PolarHBondContact O-N 3.45Å; I19-H21 PolarHBondContact O-N 3.32Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.23Å; H21-L24 PolarHBondContact O-N 3.16Å; H21-G25 PolarHBondContact O-N 3.29Å; H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.85Å; H21-H26 AromaticContact ND1-CE1 3.88Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.07Å; H21-H26 PolarHBondContact ND1-ND1 2.91Å; H21-H26 PolarHBondContact O-N 3.01Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å |
| 22 | K | 97.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 90.9 Ų | 90.9 | 30% | 0.296 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.4 | -78.2 | -62.4 | -164.3 | -162.2 | 0 | 112 | Y18 I19 L24 G25 V28 D30 L65 | Y18-K22 HydrophobicContact CD1-CG 4.14Å; Y18-K22 HydrophobicContact CE1-CG 3.6Å; Y18-K22 HydrophobicContact CE2-CG 4.42Å; Y18-K22 PolarHBondContact O-N 3.12Å; Y18-K22 WeakPolarHBondContact OH-CE 3.29Å; I19-K22 PolarHBondContact O-N 3.15Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-G25 PolarHBondContact O-N 2.9Å; K22-V28 HydrophobicContact CD-CG2 3.46Å; K22-V28 VanDerWaalsContact CD-CG2 3.46Å; K22-V28 HydrophobicContact CG-CG2 3.64Å; K22-V28 PolarHBondContact NZ-O 2.78Å; K22-D30 IonicContact NZ-OD1 3.28Å; K22-D30 PolarHBondContact NZ-OD1 2.95Å; K22-L65 HydrophobicContact CB-CD2 4.05Å |
| 23 | L | 97.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 85.2 Ų | 85.2 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.8 | -31.1 | 178.2 | -72.3 | 178.1 | 0 | 0 | 0 | 112.8 | F8 I19 Y20 H21 G25 | F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.3Å; I19-L23 HydrophobicContact CG2-CD1 3.65Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.33Å; Y20-L23 PolarHBondContact O-N 2.94Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.23Å; L23-G25 VanDerWaalsContact C-N 3.29Å |
| 24 | L | 98.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 89.1 Ų | 89.1 | 41% | 0.414 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.3 | 175.3 | -65.5 | -176.7 | 0 | 0 | 0 | 114 | F8 Y20 H21 K22 H26 | F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.46Å; Y20-L24 HydrophobicContact CD1-CD1 4.07Å; Y20-L24 HydrophobicContact CE1-CD1 3.44Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.44Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.23Å; Y20-L24 PolarHBondContact O-N 3.12Å; Y20-L24 VanDerWaalsContact O-N 3.13Å; H21-L24 PolarHBondContact O-N 3.16Å; K22-L24 VanDerWaalsContact C-N 3.34Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 2.64Å |
| 25 | G | 98.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 88.6 Ų | 88.6 | 68% | 0.68 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 17.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | H21 K22 L23 | H21-G25 PolarHBondContact O-N 3.29Å; K22-G25 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.29Å |
| 26 | H | 98.3 | Very high | 96.6 | Very high | 94 Ų | 94 | 95.1 Ų | 95.1 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | trans | -72.7 | 147.4 | 173.3 | -61.5 | -173.6 | 0 | 0 | 0 | 110.1 | H21 L24 V28 | H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.85Å; H21-H26 AromaticContact ND1-CE1 3.88Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.07Å; H21-H26 PolarHBondContact ND1-ND1 2.91Å; H21-H26 PolarHBondContact O-N 3.01Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 2.64Å; H26-V28 PolarHBondContact O-N 3.47Å | ||
| 27 | E | 97.4 | Very high | 96.5 | Very high | 199 Ų | 199 | 95.1 Ų | 95.1 | 93% | 0.93 | 49% | 0.492 | S | S | * | . | trans | -71.6 | 121.3 | 171.4 | -66.6 | -169.7 | 169.4 | 0 | 0 | 110 | ||||
| 28 | V | 97.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 94.4 Ų | 94.4 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | trans | -138.1 | 141.7 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | Y18 H21 K22 H26 | Y18-V28 HydrophobicContact CD2-CG2 4.16Å; Y18-V28 HydrophobicContact CE2-CG2 3.94Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å; K22-V28 HydrophobicContact CD-CG2 3.46Å; K22-V28 VanDerWaalsContact CD-CG2 3.46Å; K22-V28 HydrophobicContact CG-CG2 3.64Å; K22-V28 PolarHBondContact NZ-O 2.78Å; H26-V28 PolarHBondContact O-N 3.47Å | ||
| 29 | E | 96.8 | Very high | 96.2 | Very high | 179 Ų | 179 | 102.9 Ų | 102.9 | 84% | 0.836 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 143.3 | 175.3 | -64.6 | -174 | 176.6 | 0 | 0 | 111.1 | Y18 V31 | Y18-E29 WeakPolarHBondContact CE2-O 3.47Å; E29-V31 PolarHBondContact O-N 3.32Å |
| 30 | D | 94.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 110.5 Ų | 110.5 | 65% | 0.647 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 129.9 | -179.4 | -77.3 | -14.2 | 0 | 0 | 0 | 111.4 | K22 | K22-D30 IonicContact NZ-OD1 3.28Å; K22-D30 PolarHBondContact NZ-OD1 2.95Å |
| 31 | V | 95.4 | Very high | 96 | Very high | 71 Ų | 71 | 107.8 Ų | 107.8 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 134.8 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | Y18 E29 P64 | Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.48Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.48Å; Y18-V31 HydrophobicContact CE2-CB 3.95Å; Y18-V31 HydrophobicContact CE2-CG2 3.66Å; Y18-V31 HydrophobicContact CG-CG2 4.43Å; E29-V31 PolarHBondContact O-N 3.32Å; V31-P64 HydrophobicContact CB-CG 4.29Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.45Å |
| 32 | I | 95.9 | Very high | 95.8 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 66% | 0.656 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 120.3 | 172.2 | -58.6 | 177.3 | 0 | 0 | 0 | 109.4 | K34 Q62 | I32-K34 PolarHBondContact O-N 3.39Å; I32-Q62 CarbonylContact C-O 3.6Å; I32-Q62 WeakPolarHBondContact CA-O 3.47Å; I32-Q62 HydrophobicContact CG2-CB 4.4Å |
| 33 | I | 95.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 103 Ų | 103 | 35% | 0.354 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -74 | 121.8 | 171.1 | -60.4 | 178 | 0 | 0 | 0 | 108.4 | C35 Q62 P64 | I33-C35 PolarHBondContact O-N 3.49Å; I33-Q62 PolarHBondContact N-O 3.48Å; I33-P64 HydrophobicContact CD1-CB 4.15Å |
| 34 | K | 93.9 | Very high | 95.7 | Very high | 204 Ų | 204 | 106 Ų | 106 | 89% | 0.887 | 53% | 0.525 | S | S | * | . | trans | -76 | 112.9 | 170.9 | -66.4 | -177.5 | -178.7 | 177 | 0 | 108.7 | I32 | I32-K34 PolarHBondContact O-N 3.39Š| ||
| 35 | C | 92.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 106.1 Ų | 106.1 | 22% | 0.216 | 55% | 0.546 | C | S | . | . | trans | -140.1 | 155.9 | 174.6 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | I33 L37 L61 | I33-C35 PolarHBondContact O-N 3.49Å; C35-L37 PolarHBondContact O-N 3.11Å; C35-L61 PolarHBondContact SG-O 3.16Å | ||
| 36 | Q | 93.3 | Very high | 95.6 | Very high | 185 Ų | 185 | 105.8 Ų | 105.8 | 86% | 0.864 | 53% | 0.528 | S | S | * | . | trans | -78.1 | 110.9 | 168.7 | -68.9 | -169.8 | -11.1 | 0 | 0 | 108.7 | ||||
| 37 | L | 95.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 105 Ų | 105 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | trans | -69.3 | 141.2 | 175.6 | -68.1 | 177.7 | 0 | 0 | 0 | 110.5 | C35 F41 K58 L61 Q62 | C35-L37 PolarHBondContact O-N 3.11Å; L37-F41 HydrophobicContact CB-CZ 4.45Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.47Å; L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; L37-L61 HydrophobicContact CD2-CB 4.06Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; L37-Q62 HydrophobicContact CD2-CG 4.02Å | ||
| 38 | P | 94.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 104.9 Ų | 104.9 | 21% | 0.214 | 52% | 0.524 | C | S | . | . | trans | -68.3 | 146.4 | 178.8 | 31.4 | -37.1 | 0 | 0 | 0 | 110.5 | R40 F41 L61 | P38-R40 WeakPolarHBondContact CB-O 3.33Å; P38-R40 PolarHBondContact O-N 3.36Å; P38-F41 HydrophobicContact CG-CD1 3.75Å; P38-F41 HydrophobicContact CG-CE1 3.79Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.45Å; P38-L61 HydrophobicContact CG-CD1 4.46Å | ||
| 39 | K | 93.7 | Very high | 95.6 | Very high | 219 Ų | 219 | 103.9 Ų | 103.9 | 95% | 0.952 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -63.1 | -28.2 | 174.2 | -65.7 | -176.8 | -179.9 | 179.7 | 0 | 112.6 | ||
| 40 | R | 94.9 | Very high | 95.7 | Very high | 203 Ų | 203 | 99.2 Ų | 99.2 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | trans | -131.6 | 127.4 | 175.1 | -67.9 | -174.2 | -178.4 | -170.2 | 1.2 | 109.1 | P38 | P38-R40 WeakPolarHBondContact CB-O 3.33Å; P38-R40 PolarHBondContact O-N 3.36Å | ||
| 41 | F | 96.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 101.2 Ų | 101.2 | 15% | 0.145 | 50% | 0.503 | C | S | . | . | trans | -80.9 | -27.9 | -179.7 | -73.4 | -78.5 | 0 | 0 | 0 | 113.3 | L37 P38 A43 L49 V54 V57 K58 L61 T82 H86 | L37-F41 HydrophobicContact CB-CZ 4.45Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.47Å; P38-F41 HydrophobicContact CG-CD1 3.75Å; P38-F41 HydrophobicContact CG-CE1 3.79Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.45Å; F41-A43 PolarHBondContact O-N 3.29Å; F41-L49 HydrophobicContact CB-CD1 4.44Å; F41-V54 HydrophobicContact CB-CG1 4.32Å; F41-V54 HydrophobicContact CB-CG2 4.37Å; F41-V54 HydrophobicContact CD2-CG1 3.68Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; F41-V57 HydrophobicContact CD1-CB 4.12Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.31Å; F41-K58 HydrophobicContact CE1-CB 3.85Å; F41-K58 HydrophobicContact CE1-CG 4.38Å; F41-K58 HydrophobicContact CE2-CB 4.44Å; F41-K58 HydrophobicContact CZ-CB 3.71Å; F41-K58 HydrophobicContact CZ-CD 4.32Å; F41-K58 HydrophobicContact CZ-CG 3.9Å; F41-L61 HydrophobicContact CE1-CD1 4.24Å; F41-T82 WeakPolarHBondContact O-CG2 3.33Å; F41-H86 PolarHBondContact O-NE2 3.46Å | ||
| 42 | T | 94.8 | Very high | 96 | Very high | 37 Ų | 37 | 101.6 Ų | 101.6 | 23% | 0.227 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -64.2 | 128.1 | 175 | -64.7 | 0 | 0 | 0 | 0 | 111 | Y48 L49 | T42-Y48 HydrophobicContact CG2-CD1 4.06Å; T42-Y48 HydrophobicContact CG2-CE1 4.48Å; T42-L49 PolarHBondContact OG1-N 2.91Å |
| 43 | A | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 96.5 Ų | 96.5 | 3% | 0.025 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 149.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F41 G45 L46 T82 Y85 | F41-A43 PolarHBondContact O-N 3.29Å; A43-G45 PolarHBondContact O-N 3.43Å; A43-L46 HydrophobicContact CB-CB 4.36Å; A43-L46 HydrophobicContact CB-CD1 3.86Å; A43-L46 HydrophobicContact CB-CG 4.18Å; A43-L46 PolarHBondContact O-N 2.92Å; A43-T82 HydrophobicContact CB-CG2 4.18Å; A43-Y85 HydrophobicContact CB-CD1 3.61Å; A43-Y85 HydrophobicContact CB-CD2 4.11Å; A43-Y85 HydrophobicContact CB-CE1 4.11Å; A43-Y85 HydrophobicContact CB-CG 3.62Å |
| 44 | Q | 96.1 | Very high | 96.3 | Very high | 169 Ų | 169 | 95.3 Ų | 95.3 | 79% | 0.79 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 132.9 | 174.5 | -173.8 | 177.9 | 10.4 | 0 | 0 | 110.7 | L46 | Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.43Å |
| 45 | G | 96.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 85% | 0.845 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 1.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A43 | A43-G45 PolarHBondContact O-N 3.43Š|
| 46 | L | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 91.9 Ų | 91.9 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -109.3 | 155.9 | 173.7 | -64.3 | -173 | 0 | 0 | 0 | 111.8 | A43 Q44 V78 A81 T82 | A43-L46 HydrophobicContact CB-CB 4.36Å; A43-L46 HydrophobicContact CB-CD1 3.86Å; A43-L46 HydrophobicContact CB-CG 4.18Å; A43-L46 PolarHBondContact O-N 2.92Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.43Å; L46-V78 HydrophobicContact CB-CG1 4.45Å; L46-A81 HydrophobicContact CD1-CB 3.68Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.34Å |
| 47 | P | 97.8 | Very high | 97 | Very high | 79 Ų | 79 | 83.1 Ų | 83.1 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 152.9 | 173.3 | -25.3 | 34.5 | 0 | 0 | 0 | 113 | L49 V78 | P47-L49 PolarHBondContact O-N 3.21Å; P47-V78 HydrophobicContact CG-CG1 4.46Å; P47-V78 HydrophobicContact CG-CG2 4.43Å |
| 48 | Y | 97.8 | Very high | 97.1 | Very high | 196 Ų | 196 | 84.8 Ų | 84.8 | 77% | 0.769 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 138.3 | 171.9 | -75.1 | -74.6 | 0 | 0 | 0 | 111 | T42 | T42-Y48 HydrophobicContact CG2-CD1 4.06Å; T42-Y48 HydrophobicContact CG2-CE1 4.48Å |
| 49 | L | 98.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 84.3 Ų | 84.3 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 138.5 | 178.8 | -62.2 | -170.8 | 0 | 0 | 0 | 109.4 | F41 T42 P47 Q53 V54 V57 V78 T82 | F41-L49 HydrophobicContact CB-CD1 4.44Å; T42-L49 PolarHBondContact OG1-N 2.91Å; P47-L49 PolarHBondContact O-N 3.21Å; L49-Q53 HydrophobicContact CB-CB 3.96Å; L49-Q53 HydrophobicContact CD1-CB 4.39Å; L49-Q53 HydrophobicContact CD2-CB 4.13Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.4Å; L49-V57 HydrophobicContact CD1-CG2 3.68Å; L49-V78 HydrophobicContact CD2-CG1 3.91Å; L49-T82 HydrophobicContact CD1-CG2 3.85Å |
| 50 | N | 97.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | trans | -77.9 | 177.2 | 168 | 70 | 31.7 | 0 | 0 | 0 | 111 | S52 Q53 V54 | N50-S52 PolarHBondContact O-N 3.28Å; N50-S52 PolarHBondContact OD1-N 3.12Å; N50-S52 VanDerWaalsContact OD1-N 3.16Å; N50-S52 PolarHBondContact OD1-OG 3.18Å; N50-Q53 PolarHBondContact O-N 3.43Å; N50-Q53 VanDerWaalsContact OD1-CG 3.25Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.16Å; N50-V54 WeakPolarHBondContact O-CG2 3.34Å; N50-V54 PolarHBondContact O-N 2.94Å | ||
| 51 | H | 97.9 | Very high | 97.6 | Very high | 162 Ų | 162 | 65.8 Ų | 65.8 | 75% | 0.75 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.4 | -45.1 | -176.1 | -175.4 | 78 | 0 | 0 | 0 | 113.8 | Q53 V54 Y55 | H51-Q53 PolarHBondContact O-N 2.96Å; H51-V54 PolarHBondContact O-N 2.95Å; H51-Y55 WeakPolarHBondContact O-CB 3.5Å; H51-Y55 PolarHBondContact O-N 2.93Å |
| 52 | S | 98.2 | Very high | 97.6 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.7 | -34.6 | -178.1 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | N50 Y55 A56 | N50-S52 PolarHBondContact O-N 3.28Å; N50-S52 PolarHBondContact OD1-N 3.12Å; N50-S52 VanDerWaalsContact OD1-N 3.16Å; N50-S52 PolarHBondContact OD1-OG 3.18Å; S52-Y55 PolarHBondContact O-N 2.93Å; S52-A56 WeakPolarHBondContact O-CB 3.48Å; S52-A56 PolarHBondContact O-N 3.28Å |
| 53 | Q | 98.5 | Very high | 97.8 | Very high | 21 Ų | 21 | 71.2 Ų | 71.2 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 174.8 | -65.2 | 167.9 | -18.6 | 0 | 0 | 111.3 | L49 N50 H51 Y55 A56 V57 T74 T79 | L49-Q53 HydrophobicContact CB-CB 3.96Å; L49-Q53 HydrophobicContact CD1-CB 4.39Å; L49-Q53 HydrophobicContact CD2-CB 4.13Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; N50-Q53 PolarHBondContact O-N 3.43Å; N50-Q53 VanDerWaalsContact OD1-CG 3.25Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.16Å; H51-Q53 PolarHBondContact O-N 2.96Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.21Å; Q53-A56 WeakPolarHBondContact O-CB 3.39Å; Q53-A56 PolarHBondContact O-N 3.36Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.44Å; Q53-T74 PolarHBondContact NE2-O 3.46Å; Q53-T79 HydrophobicContact CB-CG2 4.48Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.43Å |
| 54 | V | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 72.7 Ų | 72.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 173.2 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | F41 L49 N50 H51 A56 V57 K58 | F41-V54 HydrophobicContact CB-CG1 4.32Å; F41-V54 HydrophobicContact CB-CG2 4.37Å; F41-V54 HydrophobicContact CD2-CG1 3.68Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.34Å; N50-V54 PolarHBondContact O-N 2.94Å; H51-V54 PolarHBondContact O-N 2.95Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.38Å; V54-V57 PolarHBondContact O-N 3.48Å; V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 3.4Å |
| 55 | Y | 98.3 | Very high | 97.8 | Very high | 146 Ų | 146 | 68.3 Ų | 68.3 | 57% | 0.573 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 176.1 | 178.7 | -98.9 | 0 | 0 | 0 | 112 | H51 S52 Q53 K58 T59 | H51-Y55 WeakPolarHBondContact O-CB 3.5Å; H51-Y55 PolarHBondContact O-N 2.93Å; S52-Y55 PolarHBondContact O-N 2.93Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.21Å; Y55-K58 PolarHBondContact O-N 2.93Å; Y55-T59 WeakPolarHBondContact O-CB 3.44Å; Y55-T59 PolarHBondContact O-N 3.5Å; Y55-T59 PolarHBondContact O-OG1 2.97Å |
| 56 | A | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 Q53 V54 K58 T59 V60 T79 | S52-A56 WeakPolarHBondContact O-CB 3.48Å; S52-A56 PolarHBondContact O-N 3.28Å; Q53-A56 WeakPolarHBondContact O-CB 3.39Å; Q53-A56 PolarHBondContact O-N 3.36Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.38Å; A56-K58 PolarHBondContact O-N 3.46Å; A56-T59 PolarHBondContact O-N 2.76Å; A56-V60 WeakPolarHBondContact O-CB 3.11Å; A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.35Å; A56-T79 HydrophobicContact CB-CG2 4.05Å |
| 57 | V | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | F41 L49 Q53 V54 T59 V60 L61 T79 T82 I83 | F41-V57 HydrophobicContact CD1-CB 4.12Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.31Å; L49-V57 HydrophobicContact CD1-CG2 3.68Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.44Å; V54-V57 PolarHBondContact O-N 3.48Å; V57-T59 VanDerWaalsContact C-N 3.34Å; V57-T59 PolarHBondContact O-N 3.09Å; V57-V60 PolarHBondContact O-N 3.32Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CG 2.88Å; V57-L61 PolarHBondContact O-N 2.95Å; V57-L61 VanDerWaalsContact O-N 3.11Å; V57-T79 HydrophobicContact CG2-CG2 4.03Å; V57-T82 HydrophobicContact CG1-CG2 4.33Å; V57-T82 HydrophobicContact CG2-CG2 4.03Å; V57-I83 HydrophobicContact CB-CG1 4.32Å; V57-I83 HydrophobicContact CG1-CG1 4.23Å; V57-I83 HydrophobicContact CG2-CG1 4.01Å |
| 58 | K | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 71.5 Ų | 71.5 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 179.1 | -178.6 | -178.8 | 176.2 | -174.4 | 0 | 111.8 | L37 F41 V54 Y55 A56 L61 | L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; F41-K58 HydrophobicContact CE1-CB 3.85Å; F41-K58 HydrophobicContact CE1-CG 4.38Å; F41-K58 HydrophobicContact CE2-CB 4.44Å; F41-K58 HydrophobicContact CZ-CB 3.71Å; F41-K58 HydrophobicContact CZ-CD 4.32Å; F41-K58 HydrophobicContact CZ-CG 3.9Å; V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 3.4Å; Y55-K58 PolarHBondContact O-N 2.93Å; A56-K58 PolarHBondContact O-N 3.46Å; K58-L61 PolarHBondContact O-N 3.37Å |
| 59 | T | 98.1 | Very high | 98 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | -177.5 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Y55 A56 V57 L61 Q62 R63 | Y55-T59 WeakPolarHBondContact O-CB 3.44Å; Y55-T59 PolarHBondContact O-N 3.5Å; Y55-T59 PolarHBondContact O-OG1 2.97Å; A56-T59 PolarHBondContact O-N 2.76Å; V57-T59 VanDerWaalsContact C-N 3.34Å; V57-T59 PolarHBondContact O-N 3.09Å; T59-L61 PolarHBondContact O-N 3.17Å; T59-Q62 PolarHBondContact O-N 2.93Å; T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.38Å; T59-R63 PolarHBondContact O-N 2.97Å |
| 60 | V | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 71.2 Ų | 71.2 | 17% | 0.17 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | -178.9 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | A56 V57 Q62 R63 I68 I83 | A56-V60 WeakPolarHBondContact O-CB 3.11Å; A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.35Å; V57-V60 PolarHBondContact O-N 3.32Å; V60-Q62 PolarHBondContact O-N 3.49Å; V60-Q62 VanDerWaalsContact O-N 3.09Å; V60-R63 PolarHBondContact O-N 3.39Å; V60-I68 HydrophobicContact CG2-CD1 3.76Å; V60-I68 HydrophobicContact CG2-CG1 4.09Å; V60-I83 HydrophobicContact CB-CD1 4.09Å; V60-I83 HydrophobicContact CB-CG1 4.38Å; V60-I83 HydrophobicContact CG1-CD1 4.05Å; V60-I83 HydrophobicContact CG1-CG1 4.29Å; V60-I83 HydrophobicContact CG1-CG2 3.67Å; V60-I83 HydrophobicContact CG2-CD1 3.92Å |
| 61 | L | 97.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.3 | 178.8 | -68.5 | 177.7 | 0 | 0 | 0 | 113.6 | C35 L37 P38 F41 V57 K58 T59 H86 L87 | C35-L61 PolarHBondContact SG-O 3.16Å; L37-L61 HydrophobicContact CD2-CB 4.06Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; P38-L61 HydrophobicContact CG-CD1 4.46Å; F41-L61 HydrophobicContact CE1-CD1 4.24Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CG 2.88Å; V57-L61 PolarHBondContact O-N 2.95Å; V57-L61 VanDerWaalsContact O-N 3.11Å; K58-L61 PolarHBondContact O-N 3.37Å; T59-L61 PolarHBondContact O-N 3.17Å; L61-H86 HydrophobicContact CD1-CB 4.01Å; L61-H86 HydrophobicContact CD2-CB 4.02Å; L61-L87 HydrophobicContact CD2-CD2 3.74Å; L61-L87 HydrophobicContact CD2-CG 3.94Å |
| 62 | Q | 97.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 2.5 | -176.4 | -59.9 | -170.7 | -85 | 0 | 0 | 113.3 | I32 I33 L37 T59 V60 | I32-Q62 CarbonylContact C-O 3.6Å; I32-Q62 WeakPolarHBondContact CA-O 3.47Å; I32-Q62 HydrophobicContact CG2-CB 4.4Å; I33-Q62 PolarHBondContact N-O 3.48Å; L37-Q62 HydrophobicContact CD2-CG 4.02Å; T59-Q62 PolarHBondContact O-N 2.93Å; V60-Q62 PolarHBondContact O-N 3.49Å; V60-Q62 VanDerWaalsContact O-N 3.09Å |
| 63 | R | 97.4 | Very high | 97.6 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | trans | -126.8 | 136.3 | -176.8 | -70.4 | -173.9 | 178.4 | -174 | -4.4 | 111.4 | T59 V60 L65 | T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.38Å; T59-R63 PolarHBondContact O-N 2.97Å; V60-R63 PolarHBondContact O-N 3.39Å; R63-L65 PolarHBondContact O-N 3.44Å | ||
| 64 | P | 96.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 72 Ų | 72 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -68.7 | -22.2 | 176.8 | 29 | -37.1 | 0 | 0 | 0 | 113.6 | Y18 V31 I33 | Y18-P64 HydrophobicContact CD1-CB 3.87Å; Y18-P64 HydrophobicContact CD1-CG 3.39Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; V31-P64 HydrophobicContact CB-CG 4.29Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.45Å; I33-P64 HydrophobicContact CD1-CB 4.15Å |
| 65 | L | 97.9 | Very high | 97.5 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 40% | 0.403 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -140.1 | 132.1 | 174.4 | -176.8 | 62.5 | 0 | 0 | 0 | 109.3 | Y18 K22 R63 | Y18-L65 HydrophobicContact CE1-CB 4.33Å; K22-L65 HydrophobicContact CB-CD2 4.05Å; R63-L65 PolarHBondContact O-N 3.44Å |
| 66 | S | 98.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 68 Ų | 68 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | trans | -143.3 | 141.9 | 178.2 | -70.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 67 | L | 98.3 | Very high | 97.4 | Very high | 174 Ų | 174 | 72.8 Ų | 72.8 | 91% | 0.911 | 42% | 0.416 | S | S | * | . | trans | -112.8 | 125.9 | 170.9 | -71.9 | 166.3 | 0 | 0 | 0 | 108.5 | ||||
| 68 | I | 97.9 | Very high | 97.4 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -111.4 | 122.8 | 176.4 | -54.6 | 175.1 | 0 | 0 | 0 | 108.1 | V60 I83 | V60-I68 HydrophobicContact CG2-CD1 3.76Å; V60-I68 HydrophobicContact CG2-CG1 4.09Å; I68-I83 HydrophobicContact CD1-CD1 3.43Å; I68-I83 VanDerWaalsContact CD1-CD1 3.43Å | ||
| 69 | Q | 97.8 | Very high | 97.4 | Very high | 193 Ų | 193 | 70.3 Ų | 70.3 | 90% | 0.902 | 41% | 0.409 | S | S | * | . | trans | -115.1 | 141.4 | 175.1 | -173.7 | -174.2 | -3.5 | 0 | 0 | 110 | ||||
| 70 | G | 95.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 72 Ų | 72 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | trans | -160.5 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | T74 K76 | G70-T74 VanDerWaalsContact C-OG1 3.31Å; G70-T74 WeakPolarHBondContact CA-OG1 3.46Å; G70-K76 WeakPolarHBondContact O-CD 3.43Å; G70-K76 WeakPolarHBondContact O-CE 3.37Å; G70-K76 PolarHBondContact O-NZ 3.43Å | ||
| 71 | P | 96.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | trans | -53.5 | 168.5 | 170.8 | -27.4 | 31.8 | 0 | 0 | 0 | 114.1 | T74 K76 | P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.14Å; P71-T74 WeakPolarHBondContact O-CB 3.31Å; P71-T74 WeakPolarHBondContact O-CG2 3.38Å; P71-T74 PolarHBondContact O-N 3.35Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P71-K76 PolarHBondContact O-NZ 3.14Å; P71-K76 VanDerWaalsContact O-NZ 3.1Å | ||
| 72 | P | 97.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 72.4 Ų | 72.4 | 83% | 0.825 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 142.2 | 169.2 | -24.7 | 35.2 | 0 | 0 | 0 | 111.6 | T74 | P72-T74 VanDerWaalsContact C-N 3.27Å; P72-T74 PolarHBondContact O-N 3.09Å |
| 73 | G | 95.7 | Very high | 97.5 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 91% | 0.907 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -3.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | G75 | G73-G75 PolarHBondContact O-N 3.19Å; G73-G75 VanDerWaalsContact O-N 3.14Å |
| 74 | T | 96.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 34% | 0.344 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -80.9 | 11.8 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 115.8 | Q53 G70 P71 P72 | Q53-T74 PolarHBondContact NE2-O 3.46Å; G70-T74 VanDerWaalsContact C-OG1 3.31Å; G70-T74 WeakPolarHBondContact CA-OG1 3.46Å; P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.14Å; P71-T74 WeakPolarHBondContact O-CB 3.31Å; P71-T74 WeakPolarHBondContact O-CG2 3.38Å; P71-T74 PolarHBondContact O-N 3.35Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P72-T74 VanDerWaalsContact C-N 3.27Å; P72-T74 PolarHBondContact O-N 3.09Å |
| 75 | G | 97.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | trans | 72.3 | 28.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | G73 T77 V78 T79 | G73-G75 PolarHBondContact O-N 3.19Å; G73-G75 VanDerWaalsContact O-N 3.14Å; G75-T77 VanDerWaalsContact C-N 3.31Å; G75-T77 PolarHBondContact O-N 3.23Å; G75-V78 PolarHBondContact O-N 3.19Å; G75-T79 WeakPolarHBondContact O-CB 3.25Å; G75-T79 PolarHBondContact O-N 3.46Å; G75-T79 PolarHBondContact O-OG1 3.47Å | ||
| 76 | K | 97.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -50.4 | -49.1 | 174.1 | -69.5 | -172 | -65.6 | -69.1 | 0 | 112.1 | G70 P71 V78 T79 S80 | G70-K76 WeakPolarHBondContact O-CD 3.43Å; G70-K76 WeakPolarHBondContact O-CE 3.37Å; G70-K76 PolarHBondContact O-NZ 3.43Å; P71-K76 PolarHBondContact O-NZ 3.14Å; P71-K76 VanDerWaalsContact O-NZ 3.1Å; K76-V78 PolarHBondContact O-N 3.49Å; K76-T79 WeakPolarHBondContact O-CB 3.44Å; K76-T79 PolarHBondContact O-N 3.28Å; K76-S80 WeakPolarHBondContact O-CB 3.4Å; K76-S80 PolarHBondContact O-N 2.79Å; K76-S80 PolarHBondContact O-OG 2.93Å; K76-S80 VanDerWaalsContact O-OG 3.09Å |
| 77 | T | 97.8 | Very high | 97.4 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 179.7 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | G75 T79 S80 A81 | G75-T77 VanDerWaalsContact C-N 3.31Å; G75-T77 PolarHBondContact O-N 3.23Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.81Å; T77-S80 PolarHBondContact O-N 2.96Å; T77-A81 VanDerWaalsContact O-CB 3.31Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.16Å |
| 78 | V | 98.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 65.3 Ų | 65.3 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L46 P47 L49 G75 K76 T82 | L46-V78 HydrophobicContact CB-CG1 4.45Å; P47-V78 HydrophobicContact CG-CG1 4.46Å; P47-V78 HydrophobicContact CG-CG2 4.43Å; L49-V78 HydrophobicContact CD2-CG1 3.91Å; G75-V78 PolarHBondContact O-N 3.19Å; K76-V78 PolarHBondContact O-N 3.49Å; V78-T82 WeakPolarHBondContact O-CB 3.48Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.41Å |
| 79 | T | 98.5 | Very high | 97 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | Q53 A56 V57 G75 K76 T77 T82 I83 | Q53-T79 HydrophobicContact CB-CG2 4.48Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.43Å; A56-T79 HydrophobicContact CB-CG2 4.05Å; V57-T79 HydrophobicContact CG2-CG2 4.03Å; G75-T79 WeakPolarHBondContact O-CB 3.25Å; G75-T79 PolarHBondContact O-N 3.46Å; G75-T79 PolarHBondContact O-OG1 3.47Å; K76-T79 WeakPolarHBondContact O-CB 3.44Å; K76-T79 PolarHBondContact O-N 3.28Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.81Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.25Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.46Å; T79-I83 PolarHBondContact O-N 3.23Å |
| 80 | S | 98.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | K76 T77 T82 I83 V84 | K76-S80 WeakPolarHBondContact O-CB 3.4Å; K76-S80 PolarHBondContact O-N 2.79Å; K76-S80 PolarHBondContact O-OG 2.93Å; K76-S80 VanDerWaalsContact O-OG 3.09Å; T77-S80 PolarHBondContact O-N 2.96Å; S80-T82 PolarHBondContact O-N 2.87Å; S80-I83 WeakPolarHBondContact O-CB 3.42Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-I83 VanDerWaalsContact O-N 3.16Å; S80-V84 WeakPolarHBondContact O-CG2 3.41Å; S80-V84 PolarHBondContact O-N 2.99Å |
| 81 | A | 98.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L46 T77 V84 Y85 | L46-A81 HydrophobicContact CD1-CB 3.68Å; T77-A81 VanDerWaalsContact O-CB 3.31Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.16Å; A81-V84 PolarHBondContact O-N 3.46Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 3.41Å |
| 82 | T | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 175 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | F41 A43 L46 L49 V57 V78 T79 S80 Y85 H86 | F41-T82 WeakPolarHBondContact O-CG2 3.33Å; A43-T82 HydrophobicContact CB-CG2 4.18Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.34Å; L49-T82 HydrophobicContact CD1-CG2 3.85Å; V57-T82 HydrophobicContact CG1-CG2 4.33Å; V57-T82 HydrophobicContact CG2-CG2 4.03Å; V78-T82 WeakPolarHBondContact O-CB 3.48Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.41Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.25Å; S80-T82 PolarHBondContact O-N 2.87Å; T82-Y85 PolarHBondContact O-N 2.83Å; T82-H86 PolarHBondContact O-CD2 2.65Å; T82-H86 PolarHBondContact O-N 3.23Å; T82-H86 VanDerWaalsContact O-N 3.16Å |
| 83 | I | 98.1 | Very high | 91.1 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.067 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.1 | -51.5 | 173.7 | -70.4 | 160.9 | 0 | 0 | 0 | 110.2 | V57 V60 I68 T79 S80 Y85 H86 L87 | V57-I83 HydrophobicContact CB-CG1 4.32Å; V57-I83 HydrophobicContact CG1-CG1 4.23Å; V57-I83 HydrophobicContact CG2-CG1 4.01Å; V60-I83 HydrophobicContact CB-CD1 4.09Å; V60-I83 HydrophobicContact CB-CG1 4.38Å; V60-I83 HydrophobicContact CG1-CD1 4.05Å; V60-I83 HydrophobicContact CG1-CG1 4.29Å; V60-I83 HydrophobicContact CG1-CG2 3.67Å; V60-I83 HydrophobicContact CG2-CD1 3.92Å; I68-I83 HydrophobicContact CD1-CD1 3.43Å; I68-I83 VanDerWaalsContact CD1-CD1 3.43Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.46Å; T79-I83 PolarHBondContact O-N 3.23Å; S80-I83 WeakPolarHBondContact O-CB 3.42Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-I83 VanDerWaalsContact O-N 3.16Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.5Å; I83-H86 PolarHBondContact O-N 2.93Å; I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.29Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 3.26Å |
| 84 | V | 97.6 | Very high | 90.9 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 111 | S80 A81 H86 L87 A88 | S80-V84 WeakPolarHBondContact O-CG2 3.41Å; S80-V84 PolarHBondContact O-N 2.99Å; A81-V84 PolarHBondContact O-N 3.46Å; V84-H86 VanDerWaalsContact C-N 3.32Å; V84-H86 PolarHBondContact O-N 3.35Å; V84-L87 PolarHBondContact O-N 3.34Å; V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 3.09Å |
| 85 | Y | 97.4 | Very high | 90.6 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.1 | -45.8 | 175.9 | 173.6 | -91.7 | 0 | 0 | 0 | 112.4 | A43 A81 T82 I83 R89 | A43-Y85 HydrophobicContact CB-CD1 3.61Å; A43-Y85 HydrophobicContact CB-CD2 4.11Å; A43-Y85 HydrophobicContact CB-CE1 4.11Å; A43-Y85 HydrophobicContact CB-CG 3.62Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 3.41Å; T82-Y85 PolarHBondContact O-N 2.83Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.5Å; Y85-R89 VanDerWaalsContact CE1-CD 3.48Å; Y85-R89 VanDerWaalsContact CZ-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 3.47Å; Y85-R89 PolarHBondContact O-N 2.96Å |
| 86 | H | 96.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.065 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -73.3 | -39.9 | 179.4 | -69.8 | -56.5 | 0 | 0 | 0 | 112.6 | F41 L61 T82 I83 V84 A88 R89 Q90 | F41-H86 PolarHBondContact O-NE2 3.46Å; L61-H86 HydrophobicContact CD1-CB 4.01Å; L61-H86 HydrophobicContact CD2-CB 4.02Å; T82-H86 PolarHBondContact O-CD2 2.65Å; T82-H86 PolarHBondContact O-N 3.23Å; T82-H86 VanDerWaalsContact O-N 3.16Å; I83-H86 PolarHBondContact O-N 2.93Å; V84-H86 VanDerWaalsContact C-N 3.32Å; V84-H86 PolarHBondContact O-N 3.35Å; H86-A88 PolarHBondContact O-N 2.76Å; H86-R89 PolarHBondContact O-N 3.2Å; H86-Q90 WeakPolarHBondContact O-CG 3.31Å; H86-Q90 PolarHBondContact O-N 2.89Å |
| 87 | L | 95.6 | Very high | 89.8 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 45% | 0.45 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176.4 | -72.2 | 173.8 | 0 | 0 | 0 | 111.6 | L61 I83 V84 R89 Q90 | L61-L87 HydrophobicContact CD2-CD2 3.74Å; L61-L87 HydrophobicContact CD2-CG 3.94Å; I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.29Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 3.26Å; V84-L87 PolarHBondContact O-N 3.34Å; L87-R89 PolarHBondContact O-N 3.1Å; L87-Q90 PolarHBondContact O-N 3.35Å; L87-Q90 VanDerWaalsContact O-N 3.12Å |
| 88 | A | 94.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 67% | 0.669 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.7 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V84 H86 | V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 3.09Å; H86-A88 PolarHBondContact O-N 2.76Å |
| 89 | R | 92.9 | Very high | 88.7 | Confident | 177 Ų | 177 | 70.2 Ų | 70.2 | 67% | 0.668 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -87.8 | -10.1 | -179.8 | -69.3 | 175.5 | 62.6 | 78.2 | 5.7 | 114.1 | Y85 H86 L87 G91 | Y85-R89 VanDerWaalsContact CE1-CD 3.48Å; Y85-R89 VanDerWaalsContact CZ-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 3.47Å; Y85-R89 PolarHBondContact O-N 2.96Å; H86-R89 PolarHBondContact O-N 3.2Å; L87-R89 PolarHBondContact O-N 3.1Å; R89-G91 VanDerWaalsContact C-N 3.26Å |
| 90 | Q | 87 | Confident | 87.9 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.7 | 175.5 | -73 | 179.2 | 8.9 | 0 | 0 | 112.7 | H86 L87 N92 | H86-Q90 WeakPolarHBondContact O-CG 3.31Å; H86-Q90 PolarHBondContact O-N 2.89Å; L87-Q90 PolarHBondContact O-N 3.35Å; L87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.45Å |
| 91 | G | 67.3 | Low | 87.1 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | trans | 69.3 | 17 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | R89 G93 | R89-G91 VanDerWaalsContact C-N 3.26Å; G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.14Å | ||
| 92 | N | 62.3 | Low | 86.2 | Confident | 146 Ų | 146 | 79.1 Ų | 79.1 | 78% | 0.781 | 50% | 0.498 | S | S | * | . | trans | -93.7 | 32.7 | 177.7 | -67.5 | -22.7 | 0 | 0 | 0 | 112.5 | Q90 | Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.45Å | ||
| 93 | G | 46.1 | Very low | 85.1 | Confident | 146 Ų | 146 | 86.3 Ų | 86.3 | 100% | 1.505 | 54% | 0.543 | S | S | * | . | trans | -98.8 | 0 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G91 | G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.14Å |
Retrieved 93 of 93 residues in 27.2 ms
(Link to these results)