| 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 | 68.1 | Low | 92.4 | Very high | 232 Ų | 232 | 104.3 Ų | 104.3 | 100% | 1.143 | 56% | 0.564 | S | S | * | * | 0 | 142.3 | 0 | -75.7 | -164.1 | -175.2 | 0 | 0 | 108.6 | |||||
| 2 | S | 92.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 102 Ų | 102 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | trans | -73.4 | 138.4 | 173.3 | 160.9 | 0 | 0 | 0 | 0 | 110.7 | A4 K5 G6 | S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 2.91Å; S2-A4 PolarHBondContact OG-N 2.98Å; S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 2.99Å; S2-K5 VanDerWaalsContact O-N 3.1Å; S2-G6 PolarHBondContact O-N 3.04Å | ||
| 3 | L | 94.4 | Very high | 93 | Very high | 146 Ų | 146 | 106.8 Ų | 106.8 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.9 | -44.3 | 175.9 | -179.4 | 66.9 | 0 | 0 | 0 | 111.5 | K5 G6 V7 | L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.29Å; L3-G6 PolarHBondContact O-N 3.37Å; L3-G6 VanDerWaalsContact O-N 3.1Å; L3-V7 HydrophobicContact CD1-CG2 4.5Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 2.91Å |
| 4 | A | 94.6 | Very high | 93.4 | Very high | 70 Ų | 70 | 111.9 Ų | 111.9 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.4 | -39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | S2 G6 V7 Y8 | S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 2.91Å; S2-A4 PolarHBondContact OG-N 2.98Å; A4-G6 VanDerWaalsContact C-N 3.34Å; A4-V7 PolarHBondContact O-N 3.48Å; A4-Y8 WeakPolarHBondContact O-CB 3.45Å; A4-Y8 PolarHBondContact O-N 3.25Å |
| 5 | K | 95 | Very high | 93.6 | Very high | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.3 | -34.6 | 176.8 | -163.5 | 173.9 | -174.9 | 176.9 | 0 | 111.7 | S2 L3 N9 | S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 2.99Å; S2-K5 VanDerWaalsContact O-N 3.1Å; L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.29Å; K5-N9 WeakPolarHBondContact O-CB 3.48Å; K5-N9 PolarHBondContact O-N 3.1Å; K5-N9 PolarHBondContact O-ND2 3.06Å |
| 6 | G | 95.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 110.7 Ų | 110.7 | 36% | 0.361 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.4 | -49.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2 L3 A4 Y8 N9 L10 | S2-G6 PolarHBondContact O-N 3.04Å; L3-G6 PolarHBondContact O-N 3.37Å; L3-G6 VanDerWaalsContact O-N 3.1Å; A4-G6 VanDerWaalsContact C-N 3.34Å; G6-Y8 PolarHBondContact O-N 3.45Å; G6-N9 PolarHBondContact O-N 3.45Å; G6-L10 WeakPolarHBondContact O-CB 3.47Å; G6-L10 PolarHBondContact O-N 3.35Å |
| 7 | V | 95.2 | Very high | 94 | Very high | 57 Ų | 57 | 107.2 Ų | 107.2 | 35% | 0.345 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -45.5 | 179.1 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | L3 A4 N9 L10 L11 F12 | L3-V7 HydrophobicContact CD1-CG2 4.5Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 2.91Å; A4-V7 PolarHBondContact O-N 3.48Å; V7-N9 PolarHBondContact O-N 3.31Å; V7-L10 PolarHBondContact O-N 3.1Å; V7-L11 HydrophobicContact CG1-CD1 4.32Å; V7-L11 PolarHBondContact O-N 3.35Å; V7-F12 HydrophobicContact CG1-CD2 3.9Å; V7-F12 HydrophobicContact CG1-CE2 3.51Å |
| 8 | Y | 96.1 | Very high | 94.2 | Very high | 133 Ų | 133 | 106.1 Ų | 106.1 | 52% | 0.522 | 55% | 0.548 | S | S | . | . | I | π-helix | trans | -58.6 | -48.2 | 176.7 | 177.7 | -96.3 | 0 | 0 | 0 | 112 | A4 G6 L10 F12 R13 | A4-Y8 WeakPolarHBondContact O-CB 3.45Å; A4-Y8 PolarHBondContact O-N 3.25Å; G6-Y8 PolarHBondContact O-N 3.45Å; Y8-L10 VanDerWaalsContact C-N 3.29Å; Y8-L10 PolarHBondContact O-N 3.39Å; Y8-F12 HydrophobicContact CD2-CB 3.91Å; Y8-F12 HydrophobicContact CE2-CB 4.32Å; Y8-F12 CarbonylContact O-C 3.26Å; Y8-F12 PolarHBondContact O-N 2.92Å; Y8-R13 HydrophobicContact CD1-CB 4.42Å; Y8-R13 HydrophobicContact CE1-CB 4.11Å; Y8-R13 HydrophobicContact CE1-CG 4.38Å; Y8-R13 WeakPolarHBondContact O-CB 3.49Å; Y8-R13 PolarHBondContact O-N 2.91Å |
| 9 | N | 95.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -65.8 | -32 | -179 | -76.7 | -42.3 | 0 | 0 | 0 | 113.2 | K5 G6 V7 | K5-N9 WeakPolarHBondContact O-CB 3.48Å; K5-N9 PolarHBondContact O-N 3.1Å; K5-N9 PolarHBondContact O-ND2 3.06Å; G6-N9 PolarHBondContact O-N 3.45Å; V7-N9 PolarHBondContact O-N 3.31Å |
| 10 | L | 94.8 | Very high | 94.6 | Very high | 128 Ų | 128 | 101.7 Ų | 101.7 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | I | π-helix | trans | -80.6 | -47.3 | -178 | -177.2 | 65.8 | 0 | 0 | 0 | 112.6 | G6 V7 Y8 | G6-L10 WeakPolarHBondContact O-CB 3.47Å; G6-L10 PolarHBondContact O-N 3.35Å; V7-L10 PolarHBondContact O-N 3.1Å; Y8-L10 VanDerWaalsContact C-N 3.29Å; Y8-L10 PolarHBondContact O-N 3.39Å |
| 11 | L | 95.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 98.6 Ų | 98.6 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | I | π-helix | trans | -106.8 | -41.7 | -167.7 | -59.4 | -179.8 | 0 | 0 | 0 | 112.4 | V7 T17 F18 T21 | V7-L11 HydrophobicContact CG1-CD1 4.32Å; V7-L11 PolarHBondContact O-N 3.35Å; L11-T17 CarbonylContact O-C 3.53Å; L11-T17 VanDerWaalsContact O-C 3.3Å; L11-T17 PolarHBondContact O-OG1 3.5Å; L11-F18 WeakPolarHBondContact O-CA 3.48Å; L11-F18 PolarHBondContact O-N 3.24Å; L11-F18 VanDerWaalsContact O-N 3.15Å; L11-T21 HydrophobicContact CB-CG2 4.11Å; L11-T21 HydrophobicContact CD1-CG2 4.16Å |
| 12 | F | 96.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 91.7 Ų | 91.7 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -106.8 | -8.1 | -163.5 | -56.2 | -66.4 | 0 | 0 | 0 | 115.1 | V7 Y8 F18 T21 | V7-F12 HydrophobicContact CG1-CD2 3.9Å; V7-F12 HydrophobicContact CG1-CE2 3.51Å; Y8-F12 HydrophobicContact CD2-CB 3.91Å; Y8-F12 HydrophobicContact CE2-CB 4.32Å; Y8-F12 CarbonylContact O-C 3.26Å; Y8-F12 PolarHBondContact O-N 2.92Å; F12-F18 HydrophobicContact CB-CD2 4.18Å; F12-F18 AromaticContact CD1-CD2 3.59Å; F12-F18 HydrophobicContact CD1-CD2 3.59Å; F12-F18 AromaticContact CD1-CE2 3.89Å; F12-F18 HydrophobicContact CD1-CE2 3.89Å; F12-F18 HydrophobicContact CG-CD2 4.37Å; F12-T21 HydrophobicContact CE1-CG2 3.88Å; F12-T21 HydrophobicContact CZ-CG2 4.17Å |
| 13 | R | 96.6 | Very high | 96.5 | Very high | 164 Ų | 164 | 93.9 Ų | 93.9 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -73.2 | -34.9 | -176.3 | 178.7 | 175.5 | 173.6 | 172.7 | -1.5 | 114.2 | Y8 | Y8-R13 HydrophobicContact CD1-CB 4.42Å; Y8-R13 HydrophobicContact CE1-CB 4.11Å; Y8-R13 HydrophobicContact CE1-CG 4.38Å; Y8-R13 WeakPolarHBondContact O-CB 3.49Å; Y8-R13 PolarHBondContact O-N 2.91Å |
| 14 | R | 97.3 | Very high | 96.6 | Very high | 178 Ų | 178 | 90.6 Ų | 90.6 | 67% | 0.672 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -107.2 | 135.1 | 179.7 | -64.8 | -178.9 | -179.2 | -116.3 | 3.5 | 109.6 | S16 T17 F18 | R14-S16 PolarHBondContact O-N 3.23Å; R14-T17 HydrophobicContact CB-CG2 4.42Å; R14-T17 PolarHBondContact O-N 3.39Å; R14-T17 PolarHBondContact O-OG1 3.47Å; R14-F18 VanDerWaalsContact O-CB 3.24Å; R14-F18 WeakPolarHBondContact O-CB 3.24Å; R14-F18 PolarHBondContact O-N 2.7Å |
| 15 | T | 97.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 89 Ų | 89 | 76% | 0.755 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.9 | -35.8 | -178.4 | -46.5 | 0 | 0 | 0 | 0 | 113 | F18 A19 | T15-F18 WeakPolarHBondContact O-CB 3.4Å; T15-A19 WeakPolarHBondContact O-CB 3.34Å; T15-A19 PolarHBondContact O-N 3.47Å |
| 16 | S | 97.1 | Very high | 97 | Very high | 82 Ų | 82 | 84.7 Ų | 84.7 | 57% | 0.573 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.3 | -47.4 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | R14 F18 A19 V20 | R14-S16 PolarHBondContact O-N 3.23Å; S16-F18 VanDerWaalsContact C-N 3.32Å; S16-A19 PolarHBondContact O-N 3.29Å; S16-V20 WeakPolarHBondContact O-CG2 3.4Å; S16-V20 PolarHBondContact O-N 2.87Å |
| 17 | T | 96.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 87.5 Ų | 87.5 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | L11 R14 V20 T21 | L11-T17 CarbonylContact O-C 3.53Å; L11-T17 VanDerWaalsContact O-C 3.3Å; L11-T17 PolarHBondContact O-OG1 3.5Å; R14-T17 HydrophobicContact CB-CG2 4.42Å; R14-T17 PolarHBondContact O-N 3.39Å; R14-T17 PolarHBondContact O-OG1 3.47Å; T17-V20 PolarHBondContact O-N 3.15Å; T17-T21 WeakPolarHBondContact O-CB 3.46Å; T17-T21 PolarHBondContact O-N 2.85Å; T17-T21 PolarHBondContact O-OG1 2.98Å |
| 18 | F | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 91.2 Ų | 91.2 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -51 | 174 | 176.2 | -92.8 | 0 | 0 | 0 | 111.3 | L11 F12 R14 T15 S16 V20 T21 I22 | L11-F18 WeakPolarHBondContact O-CA 3.48Å; L11-F18 PolarHBondContact O-N 3.24Å; L11-F18 VanDerWaalsContact O-N 3.15Å; F12-F18 HydrophobicContact CB-CD2 4.18Å; F12-F18 AromaticContact CD1-CD2 3.59Å; F12-F18 HydrophobicContact CD1-CD2 3.59Å; F12-F18 AromaticContact CD1-CE2 3.89Å; F12-F18 HydrophobicContact CD1-CE2 3.89Å; F12-F18 HydrophobicContact CG-CD2 4.37Å; R14-F18 VanDerWaalsContact O-CB 3.24Å; R14-F18 WeakPolarHBondContact O-CB 3.24Å; R14-F18 PolarHBondContact O-N 2.7Å; T15-F18 WeakPolarHBondContact O-CB 3.4Å; S16-F18 VanDerWaalsContact C-N 3.32Å; F18-V20 PolarHBondContact O-N 3.2Å; F18-T21 WeakPolarHBondContact O-CB 3.39Å; F18-T21 PolarHBondContact O-N 3.01Å; F18-I22 HydrophobicContact CD1-CD1 3.91Å; F18-I22 HydrophobicContact CE1-CD1 3.28Å; F18-I22 HydrophobicContact CE1-CG1 4.43Å; F18-I22 HydrophobicContact CE2-CD1 4.07Å; F18-I22 HydrophobicContact CZ-CD1 3.35Å; F18-I22 HydrophobicContact CZ-CG1 4.43Å; F18-I22 PolarHBondContact O-N 3.44Å |
| 19 | A | 98.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 90.8 Ų | 90.8 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T15 S16 T21 I22 M23 | T15-A19 WeakPolarHBondContact O-CB 3.34Å; T15-A19 PolarHBondContact O-N 3.47Å; S16-A19 PolarHBondContact O-N 3.29Å; A19-T21 VanDerWaalsContact C-N 3.34Å; A19-T21 PolarHBondContact O-N 2.93Å; A19-I22 PolarHBondContact O-N 3.12Å; A19-M23 WeakPolarHBondContact O-CG 3.38Å; A19-M23 PolarHBondContact O-N 3.33Å |
| 20 | V | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | S16 T17 F18 I22 M23 V24 | S16-V20 WeakPolarHBondContact O-CG2 3.4Å; S16-V20 PolarHBondContact O-N 2.87Å; T17-V20 PolarHBondContact O-N 3.15Å; F18-V20 PolarHBondContact O-N 3.2Å; V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 PolarHBondContact O-N 3.45Å; V20-M23 HydrophobicContact CG2-CE 4.17Å; V20-M23 PolarHBondContact O-N 3.21Å; V20-V24 HydrophobicContact CG1-CG2 4.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.3Å; V20-V24 PolarHBondContact O-N 2.99Å |
| 21 | T | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 94.6 Ų | 94.6 | 22% | 0.221 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.5 | -59 | 0 | 0 | 0 | 0 | 111.2 | L11 F12 T17 F18 A19 G25 | L11-T21 HydrophobicContact CB-CG2 4.11Å; L11-T21 HydrophobicContact CD1-CG2 4.16Å; F12-T21 HydrophobicContact CE1-CG2 3.88Å; F12-T21 HydrophobicContact CZ-CG2 4.17Å; T17-T21 WeakPolarHBondContact O-CB 3.46Å; T17-T21 PolarHBondContact O-N 2.85Å; T17-T21 PolarHBondContact O-OG1 2.98Å; F18-T21 WeakPolarHBondContact O-CB 3.39Å; F18-T21 PolarHBondContact O-N 3.01Å; A19-T21 VanDerWaalsContact C-N 3.34Å; A19-T21 PolarHBondContact O-N 2.93Å; T21-G25 WeakPolarHBondContact O-CA 3.49Å; T21-G25 PolarHBondContact O-N 2.84Å |
| 22 | I | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 177.5 | -70.3 | 177.3 | 0 | 0 | 0 | 111.2 | F18 A19 V20 V24 G25 A26 | F18-I22 HydrophobicContact CD1-CD1 3.91Å; F18-I22 HydrophobicContact CE1-CD1 3.28Å; F18-I22 HydrophobicContact CE1-CG1 4.43Å; F18-I22 HydrophobicContact CE2-CD1 4.07Å; F18-I22 HydrophobicContact CZ-CD1 3.35Å; F18-I22 HydrophobicContact CZ-CG1 4.43Å; F18-I22 PolarHBondContact O-N 3.44Å; A19-I22 PolarHBondContact O-N 3.12Å; V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 PolarHBondContact O-N 3.45Å; I22-V24 PolarHBondContact O-N 2.81Å; I22-G25 PolarHBondContact O-N 3.31Å; I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.27Å |
| 23 | M | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -48.5 | -179 | -71 | -173.7 | -66.3 | 0 | 0 | 111.7 | A19 V20 A26 V27 | A19-M23 WeakPolarHBondContact O-CG 3.38Å; A19-M23 PolarHBondContact O-N 3.33Å; V20-M23 HydrophobicContact CG2-CE 4.17Å; V20-M23 PolarHBondContact O-N 3.21Å; M23-A26 PolarHBondContact O-N 3.02Å; M23-V27 WeakPolarHBondContact O-CG2 3.47Å; M23-V27 PolarHBondContact O-N 3.43Å |
| 24 | V | 98.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 96.1 Ų | 96.1 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 177 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | V20 I22 A26 V27 F28 | V20-V24 HydrophobicContact CG1-CG2 4.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.3Å; V20-V24 PolarHBondContact O-N 2.99Å; I22-V24 PolarHBondContact O-N 2.81Å; V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.28Å; V24-V27 PolarHBondContact O-N 3.3Å; V24-F28 HydrophobicContact CG1-CD2 3.79Å; V24-F28 HydrophobicContact CG1-CE2 3.9Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 2.85Å; V24-F28 VanDerWaalsContact O-N 3.12Å |
| 25 | G | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 92.4 Ų | 92.4 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T21 I22 F29 | T21-G25 WeakPolarHBondContact O-CA 3.49Å; T21-G25 PolarHBondContact O-N 2.84Å; I22-G25 PolarHBondContact O-N 3.31Å; G25-F29 WeakPolarHBondContact O-CB 3.45Å; G25-F29 PolarHBondContact O-N 3.48Å |
| 26 | A | 98.3 | Very high | 98 | Very high | 50 Ų | 50 | 88.1 Ų | 88.1 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I22 M23 V24 F28 F29 E30 | I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.27Å; M23-A26 PolarHBondContact O-N 3.02Å; V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 3.28Å; A26-F28 VanDerWaalsContact C-N 3.35Å; A26-F28 PolarHBondContact O-N 3.02Å; A26-F29 PolarHBondContact O-N 3.01Å; A26-E30 WeakPolarHBondContact O-CB 3.43Å; A26-E30 PolarHBondContact O-N 3.4Å |
| 27 | V | 98.1 | Very high | 98 | Very high | 94 Ų | 94 | 85.8 Ų | 85.8 | 57% | 0.57 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 179.7 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | M23 V24 R31 | M23-V27 WeakPolarHBondContact O-CG2 3.47Å; M23-V27 PolarHBondContact O-N 3.43Å; V24-V27 PolarHBondContact O-N 3.3Å; V27-R31 PolarHBondContact O-N 3.28Å |
| 28 | F | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 87.9 Ų | 87.9 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 176 | -87.1 | -87.5 | 0 | 0 | 0 | 111.9 | V24 A26 M32 | V24-F28 HydrophobicContact CG1-CD2 3.79Å; V24-F28 HydrophobicContact CG1-CE2 3.9Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 2.85Å; V24-F28 VanDerWaalsContact O-N 3.12Å; A26-F28 VanDerWaalsContact C-N 3.35Å; A26-F28 PolarHBondContact O-N 3.02Å; F28-M32 HydrophobicContact CB-CE 4.37Å; F28-M32 WeakPolarHBondContact O-CE 3.42Å; F28-M32 WeakPolarHBondContact O-CG 3.13Å; F28-M32 PolarHBondContact O-N 3.48Å |
| 29 | F | 98.1 | Very high | 98.1 | Very high | 124 Ų | 124 | 86.3 Ų | 86.3 | 54% | 0.544 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 179 | -179.9 | -93.9 | 0 | 0 | 0 | 111.4 | G25 A26 R31 M32 F33 | G25-F29 WeakPolarHBondContact O-CB 3.45Å; G25-F29 PolarHBondContact O-N 3.48Å; A26-F29 PolarHBondContact O-N 3.01Å; F29-R31 PolarHBondContact O-N 2.85Å; F29-M32 PolarHBondContact O-N 3.23Å; F29-F33 HydrophobicContact CD1-CB 4.24Å; F29-F33 HydrophobicContact CE1-CB 3.9Å; F29-F33 HydrophobicContact CE1-CD2 4.05Å; F29-F33 AromaticContact CE1-CG 3.91Å; F29-F33 HydrophobicContact CE1-CG 3.91Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CE2-CD2 4.1Å; F29-F33 HydrophobicContact CZ-CB 4.05Å; F29-F33 AromaticContact CZ-CD2 3.49Å; F29-F33 HydrophobicContact CZ-CD2 3.49Å; F29-F33 VanDerWaalsContact CZ-CD2 3.49Å; F29-F33 HydrophobicContact CZ-CE2 4.12Å; F29-F33 AromaticContact CZ-CG 3.85Å; F29-F33 HydrophobicContact CZ-CG 3.85Å; F29-F33 WeakPolarHBondContact O-CB 3.38Å; F29-F33 PolarHBondContact O-N 2.9Å |
| 30 | E | 97.8 | Very high | 98.1 | Very high | 117 Ų | 117 | 89.2 Ų | 89.2 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -50.1 | -56.4 | 177 | 178.7 | -178.4 | -168.1 | 0 | 0 | 110.9 | A26 M32 F33 D34 | A26-E30 WeakPolarHBondContact O-CB 3.43Å; A26-E30 PolarHBondContact O-N 3.4Å; E30-M32 VanDerWaalsContact C-N 3.32Å; E30-M32 PolarHBondContact O-N 3.38Å; E30-F33 PolarHBondContact O-N 2.9Å; E30-D34 WeakPolarHBondContact O-CB 3.39Å; E30-D34 VanDerWaalsContact O-CG 3.32Å; E30-D34 PolarHBondContact O-N 3.25Å |
| 31 | R | 98 | Very high | 98.1 | Very high | 164 Ų | 164 | 90.5 Ų | 90.5 | 62% | 0.619 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | -175.6 | -172.6 | 57 | 174.1 | 154.7 | 3.3 | 113.7 | V27 F29 Q35 | V27-R31 PolarHBondContact O-N 3.28Å; F29-R31 PolarHBondContact O-N 2.85Å; R31-Q35 VanDerWaalsContact NE-NE2 3.13Å; R31-Q35 WeakPolarHBondContact O-CG 3.14Å; R31-Q35 PolarHBondContact O-N 3.19Å; R31-Q35 PolarHBondContact O-NE2 3.26Å |
| 32 | M | 98.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 92.1 Ų | 92.1 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.7 | -41.5 | 177.5 | -72.2 | -170.9 | -65.9 | 0 | 0 | 111.7 | F28 F29 E30 G36 | F28-M32 HydrophobicContact CB-CE 4.37Å; F28-M32 WeakPolarHBondContact O-CE 3.42Å; F28-M32 WeakPolarHBondContact O-CG 3.13Å; F28-M32 PolarHBondContact O-N 3.48Å; F29-M32 PolarHBondContact O-N 3.23Å; E30-M32 VanDerWaalsContact C-N 3.32Å; E30-M32 PolarHBondContact O-N 3.38Å; M32-G36 PolarHBondContact O-N 2.78Å |
| 33 | F | 97.9 | Very high | 98.1 | Very high | 129 Ų | 129 | 94.9 Ų | 94.9 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -42.6 | -177.3 | -168.5 | -94.5 | 0 | 0 | 0 | 110.9 | F29 E30 G36 G37 | F29-F33 HydrophobicContact CD1-CB 4.24Å; F29-F33 HydrophobicContact CE1-CB 3.9Å; F29-F33 HydrophobicContact CE1-CD2 4.05Å; F29-F33 AromaticContact CE1-CG 3.91Å; F29-F33 HydrophobicContact CE1-CG 3.91Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CE2-CD2 4.1Å; F29-F33 HydrophobicContact CZ-CB 4.05Å; F29-F33 AromaticContact CZ-CD2 3.49Å; F29-F33 HydrophobicContact CZ-CD2 3.49Å; F29-F33 VanDerWaalsContact CZ-CD2 3.49Å; F29-F33 HydrophobicContact CZ-CE2 4.12Å; F29-F33 AromaticContact CZ-CG 3.85Å; F29-F33 HydrophobicContact CZ-CG 3.85Å; F29-F33 WeakPolarHBondContact O-CB 3.38Å; F29-F33 PolarHBondContact O-N 2.9Å; E30-F33 PolarHBondContact O-N 2.9Å; F33-G36 PolarHBondContact O-N 2.94Å; F33-G37 WeakPolarHBondContact O-CA 3.26Å; F33-G37 PolarHBondContact O-N 2.81Å |
| 34 | D | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 95.5 Ų | 95.5 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 176.3 | -71.6 | -13.4 | 0 | 0 | 0 | 111.3 | E30 G36 G37 D38 | E30-D34 WeakPolarHBondContact O-CB 3.39Å; E30-D34 VanDerWaalsContact O-CG 3.32Å; E30-D34 PolarHBondContact O-N 3.25Å; D34-G36 VanDerWaalsContact C-N 3.34Å; D34-G36 PolarHBondContact O-N 3.39Å; D34-G37 PolarHBondContact O-N 3.3Å; D34-D38 WeakPolarHBondContact O-CB 3.34Å; D34-D38 PolarHBondContact O-N 3.46Å |
| 35 | Q | 97.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.1 | -76.1 | 178.6 | 75 | 0 | 0 | 112.6 | R31 A39 | R31-Q35 VanDerWaalsContact NE-NE2 3.13Å; R31-Q35 WeakPolarHBondContact O-CG 3.14Å; R31-Q35 PolarHBondContact O-N 3.19Å; R31-Q35 PolarHBondContact O-NE2 3.26Å; Q35-A39 VanDerWaalsContact O-CB 3.26Å; Q35-A39 WeakPolarHBondContact O-CB 3.31Å; Q35-A39 PolarHBondContact O-N 3.38Å |
| 36 | G | 98.2 | Very high | 98 | Very high | 33 Ų | 33 | 101.8 Ų | 101.8 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M32 F33 D34 A39 I40 | M32-G36 PolarHBondContact O-N 2.78Å; F33-G36 PolarHBondContact O-N 2.94Å; D34-G36 VanDerWaalsContact C-N 3.34Å; D34-G36 PolarHBondContact O-N 3.39Å; G36-A39 PolarHBondContact O-N 2.93Å; G36-I40 VanDerWaalsContact O-CG1 3.29Å; G36-I40 WeakPolarHBondContact O-CG1 3.42Å; G36-I40 PolarHBondContact O-N 2.91Å |
| 37 | G | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 101.8 Ų | 101.8 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F33 D34 I40 F41 | F33-G37 WeakPolarHBondContact O-CA 3.26Å; F33-G37 PolarHBondContact O-N 2.81Å; D34-G37 PolarHBondContact O-N 3.3Å; G37-I40 PolarHBondContact O-N 2.78Å; G37-F41 WeakPolarHBondContact O-CB 3.28Å; G37-F41 PolarHBondContact O-N 3.39Å |
| 38 | D | 98.1 | Very high | 97.7 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.4 | -52.5 | 173.7 | -80.2 | -19.4 | 0 | 0 | 0 | 110.1 | D34 I40 F41 E42 | D34-D38 WeakPolarHBondContact O-CB 3.34Å; D34-D38 PolarHBondContact O-N 3.46Å; D38-I40 VanDerWaalsContact C-N 3.33Å; D38-I40 PolarHBondContact O-N 2.97Å; D38-F41 CarbonylContact O-C 3.3Å; D38-F41 WeakPolarHBondContact O-CA 3.49Å; D38-F41 WeakPolarHBondContact O-CB 3.25Å; D38-F41 PolarHBondContact O-N 3Å; D38-E42 WeakPolarHBondContact O-CG 3.45Å; D38-E42 PolarHBondContact O-N 3.46Å |
| 39 | A | 97.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.2 | -45.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q35 G36 E42 Q43 | Q35-A39 VanDerWaalsContact O-CB 3.26Å; Q35-A39 WeakPolarHBondContact O-CB 3.31Å; Q35-A39 PolarHBondContact O-N 3.38Å; G36-A39 PolarHBondContact O-N 2.93Å; A39-E42 PolarHBondContact O-N 3.36Å; A39-Q43 VanDerWaalsContact O-CB 3.31Å; A39-Q43 WeakPolarHBondContact O-CB 3.29Å; A39-Q43 PolarHBondContact O-N 2.75Å |
| 40 | I | 98.4 | Very high | 97.6 | Very high | 106 Ų | 106 | 101 Ų | 101 | 54% | 0.544 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 175.6 | -68.7 | 166.7 | 0 | 0 | 0 | 110 | G36 G37 D38 E42 Q43 L44 | G36-I40 VanDerWaalsContact O-CG1 3.29Å; G36-I40 WeakPolarHBondContact O-CG1 3.42Å; G36-I40 PolarHBondContact O-N 2.91Å; G37-I40 PolarHBondContact O-N 2.78Å; D38-I40 VanDerWaalsContact C-N 3.33Å; D38-I40 PolarHBondContact O-N 2.97Å; I40-E42 PolarHBondContact O-N 3.49Å; I40-Q43 PolarHBondContact O-N 3.01Å; I40-L44 HydrophobicContact CG2-CD1 3.91Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.36Å; I40-L44 PolarHBondContact O-N 3.35Å |
| 41 | F | 98.1 | Very high | 97.4 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 179.7 | 178.5 | -97.9 | 0 | 0 | 0 | 112.5 | G37 D38 L44 N45 L49 | G37-F41 WeakPolarHBondContact O-CB 3.28Å; G37-F41 PolarHBondContact O-N 3.39Å; D38-F41 CarbonylContact O-C 3.3Å; D38-F41 WeakPolarHBondContact O-CA 3.49Å; D38-F41 WeakPolarHBondContact O-CB 3.25Å; D38-F41 PolarHBondContact O-N 3Å; F41-L44 PolarHBondContact O-N 3.47Å; F41-N45 WeakPolarHBondContact CE2-ND2 3.42Å; F41-N45 WeakPolarHBondContact O-CB 2.9Å; F41-N45 PolarHBondContact O-N 2.95Å; F41-N45 VanDerWaalsContact O-N 3.08Å; F41-N45 PolarHBondContact O-ND2 2.61Å; F41-L49 HydrophobicContact CD1-CD1 4.01Å; F41-L49 HydrophobicContact CE1-CD1 3.74Å; F41-L49 HydrophobicContact CE1-CD2 3.73Å; F41-L49 HydrophobicContact CE1-CG 4.41Å; F41-L49 HydrophobicContact CZ-CD2 4.11Å |
| 42 | E | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 94.1 Ų | 94.1 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 177 | -26.2 | -157.2 | 147.1 | 0 | 0 | 111.1 | D38 A39 I40 L44 N45 R46 L49 K51 | D38-E42 WeakPolarHBondContact O-CG 3.45Å; D38-E42 PolarHBondContact O-N 3.46Å; A39-E42 PolarHBondContact O-N 3.36Å; I40-E42 PolarHBondContact O-N 3.49Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.46Å; E42-N45 CarbonylContact O-C 3.46Å; E42-N45 VanDerWaalsContact O-C 3.26Å; E42-N45 PolarHBondContact O-N 3.45Å; E42-R46 WeakPolarHBondContact O-CA 3.36Å; E42-R46 PolarHBondContact O-N 2.76Å; E42-L49 HydrophobicContact CB-CD1 4.33Å; E42-K51 VanDerWaalsContact OE1-CE 3.28Å; E42-K51 WeakPolarHBondContact OE1-CE 3.45Å; E42-K51 IonicContact OE1-NZ 2.75Å; E42-K51 PolarHBondContact OE1-NZ 2.91Å; E42-K51 VanDerWaalsContact OE2-CE 3.25Å; E42-K51 WeakPolarHBondContact OE2-CE 3.29Å; E42-K51 IonicContact OE2-NZ 2.61Å; E42-K51 PolarHBondContact OE2-NZ 2.95Å |
| 43 | Q | 97.4 | Very high | 97.2 | Very high | 147 Ų | 147 | 90.5 Ų | 90.5 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 179.7 | -176.3 | 174.3 | -0.9 | 0 | 0 | 111.2 | A39 I40 N45 R46 | A39-Q43 VanDerWaalsContact O-CB 3.31Å; A39-Q43 WeakPolarHBondContact O-CB 3.29Å; A39-Q43 PolarHBondContact O-N 2.75Å; I40-Q43 PolarHBondContact O-N 3.01Å; Q43-N45 VanDerWaalsContact C-N 3.27Å; Q43-N45 PolarHBondContact O-N 3.3Å; Q43-R46 PolarHBondContact O-N 2.9Å |
| 44 | L | 98.2 | Very high | 97 | Very high | 132 Ų | 132 | 88 Ų | 88 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.6 | -27.9 | 177.3 | -68.9 | 174 | 0 | 0 | 0 | 112.8 | I40 F41 E42 | I40-L44 HydrophobicContact CG2-CD1 3.91Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.36Å; I40-L44 PolarHBondContact O-N 3.35Å; F41-L44 PolarHBondContact O-N 3.47Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.46Å |
| 45 | N | 98.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 90.4 Ų | 90.4 | 22% | 0.219 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 27.1 | -179.1 | -65 | -77.7 | 0 | 0 | 0 | 113.1 | F41 E42 Q43 G47 K48 L49 H52 | F41-N45 WeakPolarHBondContact CE2-ND2 3.42Å; F41-N45 WeakPolarHBondContact O-CB 2.9Å; F41-N45 PolarHBondContact O-N 2.95Å; F41-N45 VanDerWaalsContact O-N 3.08Å; F41-N45 PolarHBondContact O-ND2 2.61Å; E42-N45 CarbonylContact O-C 3.46Å; E42-N45 VanDerWaalsContact O-C 3.26Å; E42-N45 PolarHBondContact O-N 3.45Å; Q43-N45 VanDerWaalsContact C-N 3.27Å; Q43-N45 PolarHBondContact O-N 3.3Å; N45-G47 PolarHBondContact O-N 2.99Å; N45-K48 PolarHBondContact O-N 3.42Å; N45-L49 HydrophobicContact CB-CD1 3.9Å; N45-L49 HydrophobicContact CB-CD2 3.94Å; N45-L49 HydrophobicContact CB-CG 3.71Å; N45-L49 PolarHBondContact O-N 3.32Å; N45-H52 PolarHBondContact O-CE1 3.15Å; N45-H52 PolarHBondContact O-ND1 3.15Å |
| 46 | R | 96.4 | Very high | 96.4 | Very high | 205 Ų | 205 | 91.2 Ų | 91.2 | 77% | 0.774 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 131.6 | 179.9 | -175.3 | -179.9 | -92.1 | -150.2 | -3.6 | 110.4 | E42 Q43 K48 | E42-R46 WeakPolarHBondContact O-CA 3.36Å; E42-R46 PolarHBondContact O-N 2.76Å; Q43-R46 PolarHBondContact O-N 2.9Å; R46-K48 PolarHBondContact O-N 3.49Å |
| 47 | G | 94.9 | Very high | 96 | Very high | 49 Ų | 49 | 96.4 Ų | 96.4 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -8.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | N45 H52 | N45-G47 PolarHBondContact O-N 2.99Å; G47-H52 PolarHBondContact N-ND1 2.95Å |
| 48 | K | 96.5 | Very high | 95.6 | Very high | 160 Ų | 160 | 100 Ų | 100 | 70% | 0.696 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -33.7 | 178.9 | -58.8 | 179.9 | -175.3 | 174.6 | 0 | 113.5 | N45 R46 | N45-K48 PolarHBondContact O-N 3.42Å; R46-K48 PolarHBondContact O-N 3.49Å |
| 49 | L | 97.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 101.5 Ų | 101.5 | 19% | 0.188 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -72.2 | 144.8 | -177.8 | -56.8 | 176 | 0 | 0 | 0 | 111.5 | F41 E42 N45 K51 H52 | F41-L49 HydrophobicContact CD1-CD1 4.01Å; F41-L49 HydrophobicContact CE1-CD1 3.74Å; F41-L49 HydrophobicContact CE1-CD2 3.73Å; F41-L49 HydrophobicContact CE1-CG 4.41Å; F41-L49 HydrophobicContact CZ-CD2 4.11Å; E42-L49 HydrophobicContact CB-CD1 4.33Å; N45-L49 HydrophobicContact CB-CD1 3.9Å; N45-L49 HydrophobicContact CB-CD2 3.94Å; N45-L49 HydrophobicContact CB-CG 3.71Å; N45-L49 PolarHBondContact O-N 3.32Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 HydrophobicContact CB-CG 3.96Å; L49-K51 HydrophobicContact CD1-CD 4.49Å; L49-K51 PolarHBondContact O-N 3.18Å; L49-H52 WeakPolarHBondContact O-CB 3.46Å; L49-H52 PolarHBondContact O-N 3.08Å |
| 50 | W | 95.9 | Very high | 93.2 | Very high | 140 Ų | 140 | 107.9 Ų | 107.9 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -50.4 | -46.4 | 177.8 | 176.4 | -116.6 | 0 | 0 | 0 | 112 | H52 I53 K54 Y57 | W50-H52 PolarHBondContact O-N 2.59Å; W50-I53 HydrophobicContact CE3-CD1 3.97Å; W50-I53 HydrophobicContact CE3-CG1 3.78Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 HydrophobicContact CZ3-CG1 4.18Å; W50-I53 CarbonylContact O-C 3.57Å; W50-I53 WeakPolarHBondContact O-CG1 3.28Å; W50-I53 PolarHBondContact O-N 3.01Å; W50-K54 HydrophobicContact CD2-CB 4.23Å; W50-K54 HydrophobicContact CG-CB 4.5Å; W50-K54 HydrophobicContact CZ2-CB 4.14Å; W50-K54 HydrophobicContact CZ2-CG 3.89Å; W50-K54 VanDerWaalsContact O-CB 3.28Å; W50-K54 WeakPolarHBondContact O-CB 3.38Å; W50-K54 PolarHBondContact O-N 2.89Å; W50-Y57 AromaticContact CH2-CD2 3.49Å; W50-Y57 HydrophobicContact CH2-CD2 3.49Å; W50-Y57 VanDerWaalsContact CH2-CD2 3.49Å; W50-Y57 HydrophobicContact CH2-CE2 4.33Å; W50-Y57 AromaticContact CH2-CG 3.94Å; W50-Y57 HydrophobicContact CH2-CG 3.94Å; W50-Y57 AromaticContact CZ3-CD2 3.5Å; W50-Y57 HydrophobicContact CZ3-CD2 3.5Å; W50-Y57 VanDerWaalsContact CZ3-CD2 3.5Å; W50-Y57 AromaticContact CZ3-CE2 3.88Å; W50-Y57 HydrophobicContact CZ3-CE2 3.88Å; W50-Y57 HydrophobicContact CZ3-CG 4.29Å |
| 51 | K | 94.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 112.1 Ų | 112.1 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -52.5 | -26.6 | 176.9 | 68.4 | -173.9 | 173.3 | -151.8 | 0 | 114.8 | E42 L49 | E42-K51 VanDerWaalsContact OE1-CE 3.28Å; E42-K51 WeakPolarHBondContact OE1-CE 3.45Å; E42-K51 IonicContact OE1-NZ 2.75Å; E42-K51 PolarHBondContact OE1-NZ 2.91Å; E42-K51 VanDerWaalsContact OE2-CE 3.25Å; E42-K51 WeakPolarHBondContact OE2-CE 3.29Å; E42-K51 IonicContact OE2-NZ 2.61Å; E42-K51 PolarHBondContact OE2-NZ 2.95Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 HydrophobicContact CB-CG 3.96Å; L49-K51 HydrophobicContact CD1-CD 4.49Å; L49-K51 PolarHBondContact O-N 3.18Å |
| 52 | H | 95.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 119.8 Ų | 119.8 | 22% | 0.222 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -81.7 | -29.6 | 177.4 | -56 | 142.2 | 0 | 0 | 0 | 112.7 | N45 G47 L49 W50 H55 | N45-H52 PolarHBondContact O-CE1 3.15Å; N45-H52 PolarHBondContact O-ND1 3.15Å; G47-H52 PolarHBondContact N-ND1 2.95Å; L49-H52 WeakPolarHBondContact O-CB 3.46Å; L49-H52 PolarHBondContact O-N 3.08Å; W50-H52 PolarHBondContact O-N 2.59Å; H52-H55 PolarHBondContact O-CE1 2.89Å; H52-H55 PolarHBondContact O-ND1 2.98Å |
| 53 | I | 94.9 | Very high | 89 | Confident | 46 Ų | 46 | 122.3 Ų | 122.3 | 24% | 0.236 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -108.6 | -10.7 | -174.5 | 66.3 | 174.1 | 0 | 0 | 0 | 113 | W50 H55 Q56 Y57 | W50-I53 HydrophobicContact CE3-CD1 3.97Å; W50-I53 HydrophobicContact CE3-CG1 3.78Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 HydrophobicContact CZ3-CG1 4.18Å; W50-I53 CarbonylContact O-C 3.57Å; W50-I53 WeakPolarHBondContact O-CG1 3.28Å; W50-I53 PolarHBondContact O-N 3.01Å; I53-H55 PolarHBondContact O-N 2.9Å; I53-H55 VanDerWaalsContact O-N 3.15Å; I53-Q56 VanDerWaalsContact O-CB 3.24Å; I53-Q56 WeakPolarHBondContact O-CB 3.24Å; I53-Q56 WeakPolarHBondContact O-CG 3.49Å; I53-Q56 PolarHBondContact O-N 3.22Å; I53-Y57 HydrophobicContact CB-CE2 4.12Å; I53-Y57 HydrophobicContact CD1-CE2 4.1Å; I53-Y57 HydrophobicContact CG1-CE2 4.06Å; I53-Y57 WeakPolarHBondContact O-CD2 3.31Å; I53-Y57 VanDerWaalsContact O-CE2 3.31Å; I53-Y57 WeakPolarHBondContact O-CE2 2.86Å |
| 54 | K | 94.2 | Very high | 88.6 | Confident | 76 Ų | 76 | 121 Ų | 121 | 33% | 0.33 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -50.8 | -41.1 | -177.4 | -177.5 | 175.2 | -168.1 | -96.7 | 0 | 112.4 | W50 Q56 Y57 E58 | W50-K54 HydrophobicContact CD2-CB 4.23Å; W50-K54 HydrophobicContact CG-CB 4.5Å; W50-K54 HydrophobicContact CZ2-CB 4.14Å; W50-K54 HydrophobicContact CZ2-CG 3.89Å; W50-K54 VanDerWaalsContact O-CB 3.28Å; W50-K54 WeakPolarHBondContact O-CB 3.38Å; W50-K54 PolarHBondContact O-N 2.89Å; K54-Q56 PolarHBondContact O-N 2.76Å; K54-Y57 PolarHBondContact O-N 3.06Å; K54-E58 VanDerWaalsContact CE-CD 3.43Å; K54-E58 WeakPolarHBondContact CE-OE1 3.34Å; K54-E58 WeakPolarHBondContact CE-OE2 3.21Å; K54-E58 VanDerWaalsContact CG-CD 3.45Å; K54-E58 HydrophobicContact CG-CG 3.88Å; K54-E58 WeakPolarHBondContact CG-OE2 3.39Å; K54-E58 IonicContact NZ-OE1 2.59Å; K54-E58 PolarHBondContact NZ-OE1 3.48Å; K54-E58 IonicContact NZ-OE2 3.46Å; K54-E58 PolarHBondContact NZ-OE2 3Å; K54-E58 PolarHBondContact O-N 3.32Å; K54-E58 VanDerWaalsContact O-N 3.15Å |
| 55 | H | 91.3 | Very high | 88.1 | Confident | 133 Ų | 133 | 120.4 Ų | 120.4 | 62% | 0.616 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -58.7 | -15.4 | 177 | 71.3 | -88.7 | 0 | 0 | 0 | 114.8 | H52 I53 Y57 | H52-H55 PolarHBondContact O-CE1 2.89Å; H52-H55 PolarHBondContact O-ND1 2.98Å; I53-H55 PolarHBondContact O-N 2.9Å; I53-H55 VanDerWaalsContact O-N 3.15Å; H55-Y57 VanDerWaalsContact C-N 3.34Å |
| 56 | Q | 91.3 | Very high | 87.5 | Confident | 115 Ų | 115 | 125.1 Ų | 125.1 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -82.7 | -14.6 | 176.5 | -57.7 | 177 | -11.2 | 0 | 0 | 112.7 | I53 K54 | I53-Q56 VanDerWaalsContact O-CB 3.24Å; I53-Q56 WeakPolarHBondContact O-CB 3.24Å; I53-Q56 WeakPolarHBondContact O-CG 3.49Å; I53-Q56 PolarHBondContact O-N 3.22Å; K54-Q56 PolarHBondContact O-N 2.76Å |
| 57 | Y | 91 | Very high | 86.9 | Confident | 143 Ų | 143 | 120.1 Ų | 120.1 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -13 | -169.6 | -51.1 | -74.8 | 0 | 0 | 0 | 113.2 | W50 I53 K54 H55 | W50-Y57 AromaticContact CH2-CD2 3.49Å; W50-Y57 HydrophobicContact CH2-CD2 3.49Å; W50-Y57 VanDerWaalsContact CH2-CD2 3.49Å; W50-Y57 HydrophobicContact CH2-CE2 4.33Å; W50-Y57 AromaticContact CH2-CG 3.94Å; W50-Y57 HydrophobicContact CH2-CG 3.94Å; W50-Y57 AromaticContact CZ3-CD2 3.5Å; W50-Y57 HydrophobicContact CZ3-CD2 3.5Å; W50-Y57 VanDerWaalsContact CZ3-CD2 3.5Å; W50-Y57 AromaticContact CZ3-CE2 3.88Å; W50-Y57 HydrophobicContact CZ3-CE2 3.88Å; W50-Y57 HydrophobicContact CZ3-CG 4.29Å; I53-Y57 HydrophobicContact CB-CE2 4.12Å; I53-Y57 HydrophobicContact CD1-CE2 4.1Å; I53-Y57 HydrophobicContact CG1-CE2 4.06Å; I53-Y57 WeakPolarHBondContact O-CD2 3.31Å; I53-Y57 VanDerWaalsContact O-CE2 3.31Å; I53-Y57 WeakPolarHBondContact O-CE2 2.86Å; K54-Y57 PolarHBondContact O-N 3.06Å; H55-Y57 VanDerWaalsContact C-N 3.34Å |
| 58 | E | 90.2 | Very high | 86.4 | Confident | 108 Ų | 108 | 124.8 Ų | 124.8 | 51% | 0.505 | 58% | 0.575 | S | S | . | * | trans | -85.4 | 126 | 172.6 | -63.9 | -167.4 | 142.1 | 0 | 0 | 109.2 | K54 | K54-E58 VanDerWaalsContact CE-CD 3.43Å; K54-E58 WeakPolarHBondContact CE-OE1 3.34Å; K54-E58 WeakPolarHBondContact CE-OE2 3.21Å; K54-E58 VanDerWaalsContact CG-CD 3.45Å; K54-E58 HydrophobicContact CG-CG 3.88Å; K54-E58 WeakPolarHBondContact CG-OE2 3.39Å; K54-E58 IonicContact NZ-OE1 2.59Å; K54-E58 PolarHBondContact NZ-OE1 3.48Å; K54-E58 IonicContact NZ-OE2 3.46Å; K54-E58 PolarHBondContact NZ-OE2 3Å; K54-E58 PolarHBondContact O-N 3.32Å; K54-E58 VanDerWaalsContact O-N 3.15Å | ||
| 59 | T | 76.7 | Confident | 85.7 | Confident | 127 Ų | 127 | 122.3 Ų | 122.3 | 78% | 0.779 | 57% | 0.567 | S | S | * | * | trans | -81.7 | 137.5 | 168.5 | -45 | 0 | 0 | 0 | 0 | 106.6 | E61 | T59-E61 PolarHBondContact O-N 3.32Š| ||
| 60 | E | 68.4 | Low | 84.8 | Confident | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | trans | -59.2 | 107.9 | 172.5 | -68.3 | -170 | 164.9 | 0 | 0 | 107.9 | E62 | E60-E62 PolarHBondContact O-N 3.29Š| ||
| 61 | E | 65.9 | Low | 83.8 | Confident | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 60% | 0.601 | S | S | * | * | trans | -73.2 | 113.8 | 164 | -71.4 | -174.4 | 163.5 | 0 | 0 | 106.2 | T59 | T59-E61 PolarHBondContact O-N 3.32Š| ||
| 62 | E | 51.9 | Low | 82.9 | Confident | 267 Ų | 267 | 131.5 Ų | 131.5 | 100% | 1.248 | 62% | 0.621 | S | S | * | * | trans | -56.6 | 0 | 169.4 | -76.6 | -174 | 150.7 | 0 | 0 | 112.3 | E60 | E60-E62 PolarHBondContact O-N 3.29Š|
Retrieved 62 of 62 residues in 155.5 ms
(Link to these results)