| 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 | 51.3 | Low | 58 | Low | 145 Ų | 145 | 101.3 Ų | 101.3 | 71% | 0.714 | 51% | 0.511 | S | S | * | . | 0 | 127.6 | 0 | -74.3 | -168.3 | -166.9 | 0 | 0 | 108.8 | Q5 R9 | M1-Q5 HydrophobicContact CB-CB 4.28Å; M1-R9 VanDerWaalsContact CE-CZ 3.47Å | |||
| 2 | S | 60.8 | Low | 58 | Low | 62 Ų | 62 | 102.1 Ų | 102.1 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | trans | -61.6 | 150 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | I4 Q5 Q6 | S2-I4 PolarHBondContact O-N 3.5Å; S2-I4 PolarHBondContact OG-N 3.08Å; S2-Q5 VanDerWaalsContact N-OE1 3.12Å; S2-Q5 WeakPolarHBondContact O-CA 3.41Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.36Å; S2-Q6 PolarHBondContact O-N 3.23Å | ||
| 3 | R | 56.4 | Low | 58.1 | Low | 224 Ų | 224 | 109.4 Ų | 109.4 | 85% | 0.845 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51.1 | -29.3 | 173.1 | -78.5 | -177.4 | 165 | 177.1 | -3.9 | 112.1 | Q6 A7 | R3-Q6 PolarHBondContact O-N 3.34Å; R3-A7 PolarHBondContact O-N 3.03Å; R3-A7 VanDerWaalsContact O-N 3.14Å |
| 4 | I | 55 | Low | 58 | Low | 115 Ų | 115 | 107.8 Ų | 107.8 | 59% | 0.59 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -40.7 | 175.5 | -60.2 | 173.2 | 0 | 0 | 0 | 111.3 | S2 A7 F8 | S2-I4 PolarHBondContact O-N 3.5Å; S2-I4 PolarHBondContact OG-N 3.08Å; I4-A7 PolarHBondContact O-N 3.14Å; I4-F8 WeakPolarHBondContact O-CB 3.36Å; I4-F8 PolarHBondContact O-N 2.84Å |
| 5 | Q | 53.5 | Low | 57.7 | Low | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -34.7 | 178 | -69.8 | -179.7 | -44.5 | 0 | 0 | 112.4 | M1 S2 F8 R9 | M1-Q5 HydrophobicContact CB-CB 4.28Å; S2-Q5 VanDerWaalsContact N-OE1 3.12Å; S2-Q5 WeakPolarHBondContact O-CA 3.41Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.36Å; Q5-F8 PolarHBondContact O-N 3.26Å; Q5-R9 PolarHBondContact O-N 3.41Å; Q5-R9 VanDerWaalsContact O-N 3.07Å |
| 6 | Q | 63.9 | Low | 57.7 | Low | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.5 | -43.3 | 174.8 | -77.9 | -175.8 | -8.3 | 0 | 0 | 111.9 | S2 R3 F8 R9 G10 | S2-Q6 PolarHBondContact O-N 3.23Å; R3-Q6 PolarHBondContact O-N 3.34Å; Q6-F8 VanDerWaalsContact C-N 3.29Å; Q6-F8 PolarHBondContact O-N 3.42Å; Q6-R9 PolarHBondContact O-N 3.1Å; Q6-G10 PolarHBondContact O-N 3.42Å; Q6-G10 VanDerWaalsContact O-N 3.1Å |
| 7 | A | 59.5 | Low | 57.7 | Low | 67 Ų | 67 | 104.4 Ų | 104.4 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R3 I4 G10 A11 | R3-A7 PolarHBondContact O-N 3.03Å; R3-A7 VanDerWaalsContact O-N 3.14Å; I4-A7 PolarHBondContact O-N 3.14Å; A7-G10 PolarHBondContact O-N 3.03Å; A7-A11 WeakPolarHBondContact O-CB 3.2Å; A7-A11 PolarHBondContact O-N 3.04Å |
| 8 | F | 53.8 | Low | 57.8 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 24% | 0.241 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.4 | -168.6 | -98.6 | 0 | 0 | 0 | 113 | I4 Q5 Q6 G10 A11 Q12 Y50 M58 | I4-F8 WeakPolarHBondContact O-CB 3.36Å; I4-F8 PolarHBondContact O-N 2.84Å; Q5-F8 PolarHBondContact O-N 3.26Å; Q6-F8 VanDerWaalsContact C-N 3.29Å; Q6-F8 PolarHBondContact O-N 3.42Å; F8-G10 VanDerWaalsContact C-N 3.32Å; F8-G10 PolarHBondContact O-N 3.32Å; F8-A11 WeakPolarHBondContact O-CB 3.49Å; F8-A11 PolarHBondContact O-N 3.44Å; F8-Q12 HydrophobicContact CD1-CG 4.33Å; F8-Q12 VanDerWaalsContact CE1-CD 3.42Å; F8-Q12 HydrophobicContact CE1-CG 4.06Å; F8-Q12 HydrophobicContact CZ-CG 4.46Å; F8-Q12 PolarHBondContact O-N 3.45Å; F8-Y50 HydrophobicContact CE2-CD2 4.24Å; F8-Y50 AromaticContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CZ-CE2 4.04Å; F8-M58 HydrophobicContact CE1-CE 4.31Å; F8-M58 HydrophobicContact CE2-CE 3.9Å; F8-M58 HydrophobicContact CZ-CE 3.72Å; F8-M58 HydrophobicContact CZ-SD 4.23Å |
| 9 | R | 59.7 | Low | 57.8 | Low | 152 Ų | 152 | 104 Ų | 104 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 175.6 | -74.6 | -174.6 | -178 | -160.8 | -2.3 | 112.3 | M1 Q5 Q6 R13 | M1-R9 VanDerWaalsContact CE-CZ 3.47Å; Q5-R9 PolarHBondContact O-N 3.41Å; Q5-R9 VanDerWaalsContact O-N 3.07Å; Q6-R9 PolarHBondContact O-N 3.1Å; R9-R13 PolarHBondContact O-N 3.3Å |
| 10 | G | 63.6 | Low | 58 | Low | 36 Ų | 36 | 103.6 Ų | 103.6 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q6 A7 F8 R13 L14 | Q6-G10 PolarHBondContact O-N 3.42Å; Q6-G10 VanDerWaalsContact O-N 3.1Å; A7-G10 PolarHBondContact O-N 3.03Å; F8-G10 VanDerWaalsContact C-N 3.32Å; F8-G10 PolarHBondContact O-N 3.32Å; G10-R13 PolarHBondContact O-N 3.1Å; G10-L14 PolarHBondContact O-N 3.36Å |
| 11 | A | 61 | Low | 58.1 | Low | 25 Ų | 25 | 100.7 Ų | 100.7 | 21% | 0.207 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A7 F8 R13 L14 H15 Q46 | A7-A11 WeakPolarHBondContact O-CB 3.2Å; A7-A11 PolarHBondContact O-N 3.04Å; F8-A11 WeakPolarHBondContact O-CB 3.49Å; F8-A11 PolarHBondContact O-N 3.44Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.87Å; A11-L14 PolarHBondContact O-N 2.94Å; A11-H15 PolarHBondContact O-N 3.19Å; A11-H15 VanDerWaalsContact O-N 3.16Å; A11-Q46 HydrophobicContact CB-CG 4.35Å; A11-Q46 PolarHBondContact O-NE2 2.74Å; A11-Q46 PolarHBondContact O-OE1 3.3Å |
| 12 | Q | 57.5 | Low | 58.2 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | 178.7 | -72.6 | -172.9 | -52.6 | 0 | 0 | 113 | F8 L14 H15 S16 | F8-Q12 HydrophobicContact CD1-CG 4.33Å; F8-Q12 VanDerWaalsContact CE1-CD 3.42Å; F8-Q12 HydrophobicContact CE1-CG 4.06Å; F8-Q12 HydrophobicContact CZ-CG 4.46Å; F8-Q12 PolarHBondContact O-N 3.45Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-H15 PolarHBondContact O-N 3.41Å; Q12-S16 PolarHBondContact O-N 3.12Å |
| 13 | R | 59 | Low | 57.9 | Low | 197 Ų | 197 | 101 Ų | 101 | 74% | 0.743 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -33.2 | 174.9 | -79.4 | -175.3 | 157.5 | -162 | -5.6 | 113.1 | R9 G10 A11 S16 L17 | R9-R13 PolarHBondContact O-N 3.3Å; G10-R13 PolarHBondContact O-N 3.1Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.87Å; R13-S16 PolarHBondContact O-OG 2.88Å; R13-L17 WeakPolarHBondContact O-CG 3.43Å |
| 14 | L | 57.2 | Low | 57.5 | Low | 87 Ų | 87 | 96.7 Ų | 96.7 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.4 | -36.3 | 175.8 | -76.4 | 164.2 | 0 | 0 | 0 | 112 | G10 A11 Q12 S16 L17 V18 | G10-L14 PolarHBondContact O-N 3.36Å; A11-L14 PolarHBondContact O-N 2.94Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; L14-S16 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.1Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.98Å; L14-V18 VanDerWaalsContact O-N 3.12Å |
| 15 | H | 52.5 | Low | 57.4 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 38% | 0.375 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 178.5 | -175.4 | -119.8 | 0 | 0 | 0 | 113 | A11 Q12 R19 | A11-H15 PolarHBondContact O-N 3.19Å; A11-H15 VanDerWaalsContact O-N 3.16Å; Q12-H15 PolarHBondContact O-N 3.41Å; H15-R19 WeakPolarHBondContact O-CB 3.44Å; H15-R19 PolarHBondContact O-N 3.49Å; H15-R19 VanDerWaalsContact O-N 3.14Å |
| 16 | S | 58.4 | Low | 57.7 | Low | 71 Ų | 71 | 96.6 Ų | 96.6 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.6 | 60 | 0 | 0 | 0 | 0 | 112.6 | Q12 R13 L14 R19 S20 | Q12-S16 PolarHBondContact O-N 3.12Å; R13-S16 PolarHBondContact O-OG 2.88Å; L14-S16 PolarHBondContact O-N 3.47Å; S16-R19 PolarHBondContact O-N 2.81Å; S16-S20 PolarHBondContact O-N 3.41Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S16-S20 PolarHBondContact O-OG 3.11Å |
| 17 | L | 57.8 | Low | 57.4 | Low | 114 Ų | 114 | 98.6 Ų | 98.6 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 177.8 | -72.4 | 167.7 | 0 | 0 | 0 | 112.8 | R13 L14 S20 A21 | R13-L17 WeakPolarHBondContact O-CG 3.43Å; L14-L17 PolarHBondContact O-N 3.1Å; L17-S20 PolarHBondContact O-OG 2.91Å; L17-A21 PolarHBondContact O-N 3.01Å |
| 18 | V | 59.4 | Low | 57.4 | Low | 31 Ų | 31 | 100.4 Ų | 100.4 | 19% | 0.188 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L14 A21 A43 | L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.98Å; L14-V18 VanDerWaalsContact O-N 3.12Å; V18-A21 PolarHBondContact O-N 3.45Å; V18-A43 HydrophobicContact CG1-CB 4.29Å |
| 19 | R | 57.8 | Low | 57.9 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -32.3 | 179.6 | -165.6 | 175.6 | -177.1 | 167.3 | 1.8 | 112.8 | H15 S16 A21 K22 | H15-R19 WeakPolarHBondContact O-CB 3.44Å; H15-R19 PolarHBondContact O-N 3.49Å; H15-R19 VanDerWaalsContact O-N 3.14Å; S16-R19 PolarHBondContact O-N 2.81Å; R19-A21 VanDerWaalsContact C-N 3.3Å; R19-K22 WeakPolarHBondContact O-CG 3.47Å |
| 20 | S | 61 | Low | 58.2 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.4 | -15.6 | 173.4 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S16 L17 | S16-S20 PolarHBondContact O-N 3.41Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S16-S20 PolarHBondContact O-OG 3.11Å; L17-S20 PolarHBondContact O-OG 2.91Å |
| 21 | A | 60.1 | Low | 58.4 | Low | 43 Ų | 43 | 101.7 Ų | 101.7 | 36% | 0.355 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | 12.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L17 V18 R19 | L17-A21 PolarHBondContact O-N 3.01Å; V18-A21 PolarHBondContact O-N 3.45Å; R19-A21 VanDerWaalsContact C-N 3.3Å |
| 22 | K | 54.6 | Low | 58.4 | Low | 136 Ų | 136 | 106.6 Ų | 106.6 | 59% | 0.591 | 58% | 0.576 | S | S | * | * | trans | -59 | 130.5 | 179.4 | -75.6 | -176.8 | 179.6 | -171.7 | 0 | 110.3 | R19 V24 | R19-K22 WeakPolarHBondContact O-CG 3.47Å; K22-V24 PolarHBondContact O-N 3.19Å | ||
| 23 | P | 53.2 | Low | 58.6 | Low | 77 Ų | 77 | 103.6 Ų | 103.6 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | trans | -72.5 | 118.9 | -177.7 | 28.4 | -32.4 | 0 | 0 | 0 | 109.8 | ||||
| 24 | V | 49.3 | Very low | 58.9 | Low | 133 Ų | 133 | 96.4 Ų | 96.4 | 81% | 0.806 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -100.1 | 104.2 | 157.2 | -178.5 | 0 | 0 | 0 | 0 | 106.2 | K22 I26 | K22-V24 PolarHBondContact O-N 3.19Å; V24-I26 PolarHBondContact O-N 3.45Å |
| 25 | G | 53.1 | Low | 59.3 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 88% | 0.876 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 68.2 | 17.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 26 | I | 58.1 | Low | 59.7 | Low | 129 Ų | 129 | 93.4 Ų | 93.4 | 66% | 0.662 | 54% | 0.541 | S | S | * | . | trans | -113.6 | 129.8 | 179.4 | -62 | 168.1 | 0 | 0 | 0 | 110.8 | V24 W28 | V24-I26 PolarHBondContact O-N 3.45Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.03Å | ||
| 27 | L | 58 | Low | 60 | Low | 175 Ų | 175 | 91.7 Ų | 91.7 | 92% | 0.916 | 54% | 0.535 | S | S | * | . | trans | -74.5 | 111.7 | 172 | -168.1 | 76 | 0 | 0 | 0 | 109.2 | ||||
| 28 | W | 60.3 | Low | 60.2 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 39% | 0.394 | 54% | 0.537 | S | S | . | . | trans | -78.6 | 143.7 | -178.6 | -79.4 | 42.8 | 0 | 0 | 0 | 111.2 | I26 K32 A33 Y36 | I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.03Å; W28-K32 HydrophobicContact CB-CB 4.4Å; W28-K32 HydrophobicContact CD2-CB 4.04Å; W28-K32 HydrophobicContact CE3-CB 3.3Å; W28-K32 HydrophobicContact CE3-CG 4.49Å; W28-K32 HydrophobicContact CZ3-CB 3.7Å; W28-K32 VanDerWaalsContact CZ3-O 3.3Å; W28-K32 WeakPolarHBondContact CZ3-O 3.3Å; W28-A33 HydrophobicContact CB-CB 4.35Å; W28-Y36 HydrophobicContact CH2-CD2 4.41Å | ||
| 29 | S | 63.2 | Low | 60.3 | Low | 50 Ų | 50 | 97.6 Ų | 97.6 | 35% | 0.35 | 55% | 0.552 | S | S | . | * | trans | -65.1 | 154.3 | 169.6 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | T31 K32 A33 | S29-T31 PolarHBondContact O-N 3.22Å; S29-T31 VanDerWaalsContact O-N 3.08Å; S29-T31 PolarHBondContact OG-OG1 3.45Å; S29-K32 PolarHBondContact O-N 3.07Å; S29-K32 WeakPolarHBondContact OG-CG 3.24Å; S29-A33 PolarHBondContact O-N 3.46Å | ||
| 30 | P | 66.5 | Low | 60.5 | Low | 114 Ų | 114 | 91.1 Ų | 91.1 | 74% | 0.74 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -52.6 | -37.3 | -176.6 | -27.6 | 34.1 | 0 | 0 | 0 | 113.9 | A34 | P30-A34 PolarHBondContact O-N 3.43Å; P30-A34 VanDerWaalsContact O-N 3.11Å |
| 31 | T | 67.3 | Low | 60.7 | Low | 107 Ų | 107 | 89 Ų | 89 | 66% | 0.656 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69 | -42.8 | 178.3 | 47.2 | 0 | 0 | 0 | 0 | 113 | S29 A35 | S29-T31 PolarHBondContact O-N 3.22Å; S29-T31 VanDerWaalsContact O-N 3.08Å; S29-T31 PolarHBondContact OG-OG1 3.45Å; T31-A35 PolarHBondContact O-N 3.25Å |
| 32 | K | 61 | Low | 60.9 | Low | 128 Ų | 128 | 90.8 Ų | 90.8 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 176.6 | -69.2 | -175.4 | 176.6 | 178.9 | 0 | 110.3 | W28 S29 A34 A35 Y36 | W28-K32 HydrophobicContact CB-CB 4.4Å; W28-K32 HydrophobicContact CD2-CB 4.04Å; W28-K32 HydrophobicContact CE3-CB 3.3Å; W28-K32 HydrophobicContact CE3-CG 4.49Å; W28-K32 HydrophobicContact CZ3-CB 3.7Å; W28-K32 VanDerWaalsContact CZ3-O 3.3Å; W28-K32 WeakPolarHBondContact CZ3-O 3.3Å; S29-K32 PolarHBondContact O-N 3.07Å; S29-K32 WeakPolarHBondContact OG-CG 3.24Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.02Å; K32-A35 WeakPolarHBondContact O-CB 3.42Å; K32-A35 PolarHBondContact O-N 3.4Å; K32-A35 VanDerWaalsContact O-N 3.1Å; K32-Y36 PolarHBondContact O-N 3.39Å |
| 33 | A | 63.1 | Low | 61.2 | Low | 48 Ų | 48 | 85 Ų | 85 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W28 S29 A35 Y36 G37 | W28-A33 HydrophobicContact CB-CB 4.35Å; S29-A33 PolarHBondContact O-N 3.46Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 2.97Å; A33-Y36 PolarHBondContact O-N 3.45Å; A33-G37 PolarHBondContact O-N 2.84Å |
| 34 | A | 65.8 | Low | 61.6 | Low | 45 Ų | 45 | 86.8 Ų | 86.8 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P30 K32 R38 | P30-A34 PolarHBondContact O-N 3.43Å; P30-A34 VanDerWaalsContact O-N 3.11Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.02Å; A34-R38 WeakPolarHBondContact O-CG 3.38Å; A34-R38 PolarHBondContact O-N 2.83Å; A34-R38 VanDerWaalsContact O-N 3.12Å; A34-R38 PolarHBondContact O-NE 2.95Å |
| 35 | A | 64.8 | Low | 62 | Low | 42 Ų | 42 | 86 Ų | 86 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | T31 K32 A33 R38 L39 | T31-A35 PolarHBondContact O-N 3.25Å; K32-A35 WeakPolarHBondContact O-CB 3.42Å; K32-A35 PolarHBondContact O-N 3.4Å; K32-A35 VanDerWaalsContact O-N 3.1Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 2.97Å; A35-R38 PolarHBondContact O-N 3.34Å; A35-L39 WeakPolarHBondContact O-CG 3.42Å; A35-L39 PolarHBondContact O-N 3.28Å |
| 36 | Y | 61.9 | Low | 62.3 | Low | 64 Ų | 64 | 84.2 Ų | 84.2 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 175.1 | -171.8 | -99.4 | 0 | 0 | 0 | 112.1 | W28 K32 A33 R38 L39 T40 | W28-Y36 HydrophobicContact CH2-CD2 4.41Å; K32-Y36 PolarHBondContact O-N 3.39Å; A33-Y36 PolarHBondContact O-N 3.45Å; Y36-R38 PolarHBondContact O-N 2.78Å; Y36-L39 PolarHBondContact O-N 3.42Å; Y36-T40 HydrophobicContact CD1-CG2 3.85Å; Y36-T40 HydrophobicContact CD2-CG2 4.48Å; Y36-T40 HydrophobicContact CE1-CG2 3.46Å; Y36-T40 VanDerWaalsContact CE1-CG2 3.46Å; Y36-T40 HydrophobicContact CE2-CG2 4.15Å; Y36-T40 HydrophobicContact CG-CG2 4.35Å; Y36-T40 WeakPolarHBondContact O-CB 3.26Å; Y36-T40 WeakPolarHBondContact O-CG2 3.47Å; Y36-T40 PolarHBondContact O-N 3.46Å; Y36-T40 PolarHBondContact O-OG1 3.16Å |
| 37 | G | 63.5 | Low | 62.3 | Low | 35 Ų | 35 | 84.4 Ų | 84.4 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A33 T40 A41 | A33-G37 PolarHBondContact O-N 2.84Å; G37-T40 WeakPolarHBondContact CA-OG1 3.42Å; G37-T40 PolarHBondContact O-OG1 3.44Å; G37-T40 VanDerWaalsContact O-OG1 3.1Å; G37-A41 WeakPolarHBondContact O-CB 3.41Å; G37-A41 PolarHBondContact O-N 3.42Å |
| 38 | R | 62.5 | Low | 62.3 | Low | 172 Ų | 172 | 85 Ų | 85 | 65% | 0.649 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.2 | -40.8 | 175.7 | -76.5 | -177.9 | -80.8 | -127.4 | 1.5 | 112.7 | A34 A35 Y36 A41 V42 | A34-R38 WeakPolarHBondContact O-CG 3.38Å; A34-R38 PolarHBondContact O-N 2.83Å; A34-R38 VanDerWaalsContact O-N 3.12Å; A34-R38 PolarHBondContact O-NE 2.95Å; A35-R38 PolarHBondContact O-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.78Å; R38-A41 PolarHBondContact O-N 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.29Å; R38-V42 PolarHBondContact O-N 3.39Å |
| 39 | L | 62.2 | Low | 61.9 | Low | 96 Ų | 96 | 88 Ų | 88 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -40 | 177.3 | -70.5 | 166.2 | 0 | 0 | 0 | 112.2 | A35 Y36 V42 A43 | A35-L39 WeakPolarHBondContact O-CG 3.42Å; A35-L39 PolarHBondContact O-N 3.28Å; Y36-L39 PolarHBondContact O-N 3.42Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.84Å |
| 40 | T | 61.9 | Low | 61.6 | Low | 35 Ų | 35 | 91.2 Ų | 91.2 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.9 | -33.6 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | Y36 G37 A43 L44 | Y36-T40 HydrophobicContact CD1-CG2 3.85Å; Y36-T40 HydrophobicContact CD2-CG2 4.48Å; Y36-T40 HydrophobicContact CE1-CG2 3.46Å; Y36-T40 VanDerWaalsContact CE1-CG2 3.46Å; Y36-T40 HydrophobicContact CE2-CG2 4.15Å; Y36-T40 HydrophobicContact CG-CG2 4.35Å; Y36-T40 WeakPolarHBondContact O-CB 3.26Å; Y36-T40 WeakPolarHBondContact O-CG2 3.47Å; Y36-T40 PolarHBondContact O-N 3.46Å; Y36-T40 PolarHBondContact O-OG1 3.16Å; G37-T40 WeakPolarHBondContact CA-OG1 3.42Å; G37-T40 PolarHBondContact O-OG1 3.44Å; G37-T40 VanDerWaalsContact O-OG1 3.1Å; T40-A43 PolarHBondContact O-N 2.8Å; T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.99Å |
| 41 | A | 64.7 | Low | 61.2 | Low | 51 Ų | 51 | 94.6 Ų | 94.6 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G37 R38 L44 Q45 | G37-A41 WeakPolarHBondContact O-CB 3.41Å; G37-A41 PolarHBondContact O-N 3.42Å; R38-A41 PolarHBondContact O-N 3.27Å; A41-L44 PolarHBondContact O-N 3.12Å; A41-Q45 VanDerWaalsContact O-CB 3.26Å; A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 3.46Å |
| 42 | V | 63.5 | Low | 60.9 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 173.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | R38 L39 Q45 Q46 | R38-V42 WeakPolarHBondContact O-CG2 3.29Å; R38-V42 PolarHBondContact O-N 3.39Å; L39-V42 PolarHBondContact O-N 3.21Å; V42-Q45 PolarHBondContact O-N 3.35Å; V42-Q46 VanDerWaalsContact O-CB 3.29Å; V42-Q46 WeakPolarHBondContact O-CB 3.42Å; V42-Q46 PolarHBondContact O-N 2.85Å |
| 43 | A | 61.7 | Low | 61 | Low | 16 Ų | 16 | 92.6 Ų | 92.6 | 13% | 0.132 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 L39 T40 Q46 K47 | V18-A43 HydrophobicContact CG1-CB 4.29Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.84Å; T40-A43 PolarHBondContact O-N 2.8Å; A43-Q46 WeakPolarHBondContact O-CB 3.49Å; A43-Q46 PolarHBondContact O-N 3.28Å; A43-K47 PolarHBondContact O-N 3.28Å |
| 44 | L | 60.7 | Low | 60.8 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.6 | -41.6 | 174.4 | -86.7 | 157 | 0 | 0 | 0 | 111.4 | T40 A41 Q46 K47 R48 | T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.99Å; A41-L44 PolarHBondContact O-N 3.12Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.39Å; L44-K47 PolarHBondContact O-N 2.98Å; L44-R48 PolarHBondContact O-N 3.36Å |
| 45 | Q | 58.8 | Low | 60.5 | Low | 115 Ų | 115 | 93.6 Ų | 93.6 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 172.7 | -165.7 | 172.4 | 1.9 | 0 | 0 | 109.8 | A41 V42 K47 R48 W49 | A41-Q45 VanDerWaalsContact O-CB 3.26Å; A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 3.46Å; V42-Q45 PolarHBondContact O-N 3.35Å; Q45-K47 PolarHBondContact O-N 3.39Å; Q45-R48 PolarHBondContact O-N 3.09Å; Q45-W49 WeakPolarHBondContact O-CB 3.46Å; Q45-W49 PolarHBondContact O-N 3.16Å |
| 46 | Q | 59.3 | Low | 60.1 | Low | 48 Ų | 48 | 96.6 Ų | 96.6 | 22% | 0.224 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.4 | -166.6 | 176 | 73.6 | 0 | 0 | 113 | A11 V42 A43 L44 W49 Y50 | A11-Q46 HydrophobicContact CB-CG 4.35Å; A11-Q46 PolarHBondContact O-NE2 2.74Å; A11-Q46 PolarHBondContact O-OE1 3.3Å; V42-Q46 VanDerWaalsContact O-CB 3.29Å; V42-Q46 WeakPolarHBondContact O-CB 3.42Å; V42-Q46 PolarHBondContact O-N 2.85Å; A43-Q46 WeakPolarHBondContact O-CB 3.49Å; A43-Q46 PolarHBondContact O-N 3.28Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.39Å; Q46-W49 PolarHBondContact O-N 3.38Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.19Å; Q46-Y50 PolarHBondContact O-N 3.04Å |
| 47 | K | 57.5 | Low | 59.9 | Low | 133 Ų | 133 | 102.8 Ų | 102.8 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 172.5 | -77 | -175.5 | 177.7 | -176.3 | 0 | 112.7 | A43 L44 Q45 Y50 K51 | A43-K47 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.98Å; Q45-K47 PolarHBondContact O-N 3.39Å; K47-Y50 PolarHBondContact O-N 3.34Å; K47-K51 PolarHBondContact O-N 3.08Å; K47-K51 VanDerWaalsContact O-N 3.16Å |
| 48 | R | 59.4 | Low | 59.3 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -41.5 | 176.5 | -166.5 | 171 | 178.3 | -171.3 | -1.9 | 110.9 | L44 Q45 K51 I52 | L44-R48 PolarHBondContact O-N 3.36Å; Q45-R48 PolarHBondContact O-N 3.09Å; R48-K51 PolarHBondContact O-N 3.44Å; R48-I52 HydrophobicContact CG-CD1 4.15Å; R48-I52 WeakPolarHBondContact O-CD1 3.27Å; R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.39Å; R48-I52 PolarHBondContact O-N 3.24Å |
| 49 | W | 51.1 | Low | 58.9 | Low | 167 Ų | 167 | 101.5 Ų | 101.5 | 63% | 0.633 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -35.3 | 172.5 | -84.7 | 75.3 | 0 | 0 | 0 | 112.5 | Q45 Q46 K51 I52 A53 | Q45-W49 WeakPolarHBondContact O-CB 3.46Å; Q45-W49 PolarHBondContact O-N 3.16Å; Q46-W49 PolarHBondContact O-N 3.38Å; W49-K51 PolarHBondContact O-N 2.77Å; W49-I52 PolarHBondContact O-N 3.14Å; W49-A53 HydrophobicContact CE3-CB 4.49Å; W49-A53 WeakPolarHBondContact O-CA 3.27Å; W49-A53 VanDerWaalsContact O-CB 3.24Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.32Å |
| 50 | Y | 56.4 | Low | 58.4 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 176.6 | -168.9 | -87.6 | 0 | 0 | 0 | 112.9 | F8 Q46 K47 K54 | F8-Y50 HydrophobicContact CE2-CD2 4.24Å; F8-Y50 AromaticContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CZ-CE2 4.04Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.19Å; Q46-Y50 PolarHBondContact O-N 3.04Å; K47-Y50 PolarHBondContact O-N 3.34Å; Y50-K54 WeakPolarHBondContact O-CB 3.47Å; Y50-K54 PolarHBondContact O-N 3.28Å |
| 51 | K | 58.2 | Low | 57.9 | Low | 185 Ų | 185 | 112.5 Ų | 112.5 | 80% | 0.804 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.8 | -33.4 | 173.2 | -75.7 | -171.5 | 176.3 | -169.7 | 0 | 112.8 | K47 R48 W49 | K47-K51 PolarHBondContact O-N 3.08Å; K47-K51 VanDerWaalsContact O-N 3.16Å; R48-K51 PolarHBondContact O-N 3.44Å; W49-K51 PolarHBondContact O-N 2.77Å |
| 52 | I | 60.7 | Low | 57.5 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 69% | 0.692 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -91.2 | -37.6 | -174.1 | -62.4 | 168.6 | 0 | 0 | 0 | 111.7 | R48 W49 | R48-I52 HydrophobicContact CG-CD1 4.15Å; R48-I52 WeakPolarHBondContact O-CD1 3.27Å; R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.39Å; R48-I52 PolarHBondContact O-N 3.24Å; W49-I52 PolarHBondContact O-N 3.14Å |
| 53 | A | 63.4 | Low | 57.6 | Low | 58 Ų | 58 | 122 Ų | 122 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -110.3 | 24.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | W49 P55 | W49-A53 HydrophobicContact CE3-CB 4.49Å; W49-A53 WeakPolarHBondContact O-CA 3.27Å; W49-A53 VanDerWaalsContact O-CB 3.24Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.32Å; A53-P55 WeakPolarHBondContact O-CD 3.44Å |
| 54 | K | 59.3 | Low | 58.3 | Low | 85 Ų | 85 | 128.1 Ų | 128.1 | 37% | 0.37 | 59% | 0.59 | S | S | . | * | trans | -55.8 | 116.2 | 170.8 | -152.2 | -172.4 | -169.7 | -155.6 | 0 | 106.4 | Y50 M58 | Y50-K54 WeakPolarHBondContact O-CB 3.47Å; Y50-K54 PolarHBondContact O-N 3.28Å; K54-M58 VanDerWaalsContact CE-O 3.27Å; K54-M58 WeakPolarHBondContact CE-O 3.4Å; K54-M58 PolarHBondContact NZ-O 3.08Å | ||
| 55 | P | 59 | Low | 59.3 | Low | 30 Ų | 30 | 123.8 Ų | 123.8 | 20% | 0.195 | 57% | 0.566 | C | S | . | * | trans | -54.9 | 138.3 | -177.5 | -24.5 | 33.6 | 0 | 0 | 0 | 109.4 | A53 E57 M58 | A53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-E57 PolarHBondContact O-N 3.22Å; P55-E57 VanDerWaalsContact O-N 3.09Å; P55-M58 HydrophobicContact CG-CE 3.94Å; P55-M58 PolarHBondContact O-N 3.24Å | ||
| 56 | P | 56.8 | Low | 60.7 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -50.6 | -37.5 | -180 | -18.2 | 22.4 | 0 | 0 | 0 | 111.9 | M58 Q59 | P56-M58 PolarHBondContact O-N 3.06Å; P56-Q59 WeakPolarHBondContact O-CB 3.27Å; P56-Q59 PolarHBondContact O-N 2.95Å; P56-Q59 VanDerWaalsContact O-N 3.08Å |
| 57 | E | 57.7 | Low | 62.1 | Low | 194 Ų | 194 | 123.8 Ų | 123.8 | 91% | 0.907 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -64.7 | -8.3 | 178.2 | -153.2 | 158 | -161.4 | 0 | 0 | 114.8 | P55 | P55-E57 PolarHBondContact O-N 3.22Å; P55-E57 VanDerWaalsContact O-N 3.09Å |
| 58 | M | 51.2 | Low | 63.6 | Low | 69 Ų | 69 | 122.7 Ų | 122.7 | 34% | 0.34 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -120.9 | 8.8 | 179.7 | -148.5 | -168.7 | -51.1 | 0 | 0 | 112.4 | F8 K54 P55 P56 K60 | F8-M58 HydrophobicContact CE1-CE 4.31Å; F8-M58 HydrophobicContact CE2-CE 3.9Å; F8-M58 HydrophobicContact CZ-CE 3.72Å; F8-M58 HydrophobicContact CZ-SD 4.23Å; K54-M58 VanDerWaalsContact CE-O 3.27Å; K54-M58 WeakPolarHBondContact CE-O 3.4Å; K54-M58 PolarHBondContact NZ-O 3.08Å; P55-M58 HydrophobicContact CG-CE 3.94Å; P55-M58 PolarHBondContact O-N 3.24Å; P56-M58 PolarHBondContact O-N 3.06Å; M58-K60 PolarHBondContact O-N 3.33Å |
| 59 | Q | 52.8 | Low | 65.1 | Low | 112 Ų | 112 | 117.6 Ų | 117.6 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -76.3 | 100.7 | 153.7 | -55.1 | -175.3 | 39.7 | 0 | 0 | 103.7 | P56 E61 | P56-Q59 WeakPolarHBondContact O-CB 3.27Å; P56-Q59 PolarHBondContact O-N 2.95Å; P56-Q59 VanDerWaalsContact O-N 3.08Å; Q59-E61 PolarHBondContact O-N 2.8Å |
| 60 | K | 52.4 | Low | 67 | Low | 201 Ų | 201 | 109.7 Ų | 109.7 | 87% | 0.874 | 52% | 0.519 | S | S | * | . | trans | -59.3 | 99.9 | 163.7 | -165.6 | -177.4 | -172.6 | -169 | 0 | 102.3 | M58 E62 | M58-K60 PolarHBondContact O-N 3.33Å; K60-E62 PolarHBondContact O-N 2.84Å | ||
| 61 | E | 52.3 | Low | 68.6 | Low | 160 Ų | 160 | 106.3 Ų | 106.3 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | trans | -44.9 | 119.8 | -179.5 | -129.7 | 99.9 | -150.4 | 0 | 0 | 105.3 | Q59 R63 | Q59-E61 PolarHBondContact O-N 2.8Å; E61-R63 PolarHBondContact O-N 2.72Å | ||
| 62 | E | 55.7 | Low | 70.2 | Confident | 186 Ų | 186 | 104 Ų | 104 | 87% | 0.869 | 50% | 0.501 | S | S | * | . | trans | -63.4 | 92.1 | 167.6 | -75.1 | -179.5 | 176.9 | 0 | 0 | 104.4 | K60 K64 | K60-E62 PolarHBondContact O-N 2.84Å; E62-K64 VanDerWaalsContact C-N 3.35Å; E62-K64 PolarHBondContact O-N 3.01Å | ||
| 63 | R | 66.1 | Low | 71.7 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | trans | -61.6 | 103.1 | -174.6 | -154.6 | -164.2 | -71.7 | 165.7 | 0.3 | 104.7 | E61 W65 E117 | E61-R63 PolarHBondContact O-N 2.72Å; R63-W65 VanDerWaalsContact NH1-CH2 3.28Å; R63-W65 PolarHBondContact O-N 3.17Å; R63-W65 PolarHBondContact O-NE1 3.34Å; R63-E117 IonicContact CZ-OE1 3.73Å; R63-E117 IonicContact NH1-OE1 2.75Å; R63-E117 PolarHBondContact NH1-OE1 3.07Å; R63-E117 IonicContact NH2-OE1 3.8Å | ||
| 64 | K | 75.5 | Confident | 73.1 | Confident | 146 Ų | 146 | 98.5 Ų | 98.5 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 119.4 | 175.4 | -84.4 | -173.4 | 173.7 | -174 | 0 | 107 | E62 T147 | E62-K64 VanDerWaalsContact C-N 3.35Å; E62-K64 PolarHBondContact O-N 3.01Å; K64-T147 HydrophobicContact CD-CG2 4.02Å |
| 65 | W | 82.9 | Confident | 74.6 | Confident | 22 Ų | 22 | 96.7 Ų | 96.7 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -89 | 138.1 | 175.7 | -61.5 | 95.3 | 0 | 0 | 0 | 108.5 | R63 M69 V70 R73 E117 F118 V146 T147 | R63-W65 VanDerWaalsContact NH1-CH2 3.28Å; R63-W65 PolarHBondContact O-N 3.17Å; R63-W65 PolarHBondContact O-NE1 3.34Å; W65-M69 HydrophobicContact CE3-CB 4.16Å; W65-V70 HydrophobicContact CB-CG2 3.71Å; W65-V70 HydrophobicContact CG-CG2 4.35Å; W65-R73 HydrophobicContact CH2-CG 4.02Å; W65-R73 HydrophobicContact CZ3-CB 4.01Å; W65-R73 HydrophobicContact CZ3-CG 3.97Å; W65-E117 HydrophobicContact CH2-CG 4.01Å; W65-E117 HydrophobicContact CZ2-CG 4.24Å; W65-F118 AromaticContact CD2-CD1 3.69Å; W65-F118 HydrophobicContact CD2-CD1 3.69Å; W65-F118 AromaticContact CD2-CE1 3.57Å; W65-F118 HydrophobicContact CD2-CE1 3.57Å; W65-F118 AromaticContact CE2-CD1 3.42Å; W65-F118 VanDerWaalsContact CE2-CD1 3.42Å; W65-F118 AromaticContact CE2-CE1 3.69Å; W65-F118 HydrophobicContact CE3-CD1 4.16Å; W65-F118 AromaticContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CG-CD1 4.09Å; W65-F118 HydrophobicContact CG-CE1 4.21Å; W65-F118 HydrophobicContact CH2-CD1 4.12Å; W65-F118 AromaticContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CZ 4.43Å; W65-F118 AromaticContact CZ2-CD1 3.67Å; W65-F118 HydrophobicContact CZ2-CD1 3.67Å; W65-F118 AromaticContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ3-CD1 4.36Å; W65-F118 AromaticContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CZ 4.34Å; W65-F118 AromaticContact NE1-CD1 3.68Å; W65-V146 HydrophobicContact CB-CG2 4.17Å; W65-V146 WeakPolarHBondContact O-CA 3.37Å; W65-V146 VanDerWaalsContact O-CG1 3.28Å; W65-V146 WeakPolarHBondContact O-CG1 3.28Å; W65-T147 PolarHBondContact O-N 3.35Å |
| 66 | T | 88.2 | Confident | 76.1 | Confident | 44 Ų | 44 | 100.6 Ų | 100.6 | 27% | 0.27 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 161.2 | 161.6 | 75.3 | 0 | 0 | 0 | 0 | 108.9 | E68 M69 V70 | T66-E68 PolarHBondContact O-N 3.26Å; T66-E68 PolarHBondContact OG1-OE2 3.32Å; T66-M69 HydrophobicContact CG2-SD 4.28Å; T66-M69 PolarHBondContact O-N 2.94Å; T66-M69 VanDerWaalsContact O-N 3.14Å; T66-M69 WeakPolarHBondContact OG1-CG 3.22Å; T66-M69 PolarHBondContact OG1-N 3.25Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.2Å |
| 67 | K | 87.9 | Confident | 77.7 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58 | -37.9 | -179 | -174.8 | 175.4 | -177.6 | 178.8 | 0 | 112.4 | V70 N71 | K67-V70 PolarHBondContact O-N 3.38Å; K67-N71 PolarHBondContact O-N 3.34Å; K67-N71 VanDerWaalsContact O-N 3.14Å; K67-N71 PolarHBondContact O-ND2 2.74Å |
| 68 | E | 89.3 | Confident | 79.2 | Confident | 111 Ų | 111 | 87.5 Ų | 87.5 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 177.3 | -60 | 69 | -145.6 | 0 | 0 | 110.5 | T66 V70 N71 E72 | T66-E68 PolarHBondContact O-N 3.26Å; T66-E68 PolarHBondContact OG1-OE2 3.32Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 2.83Å; E68-N71 PolarHBondContact O-N 2.83Å; E68-E72 WeakPolarHBondContact O-CG 3.41Å; E68-E72 PolarHBondContact O-N 3.14Å |
| 69 | M | 89.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 86.7 Ų | 86.7 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 177.8 | -69 | 179.3 | 71.2 | 0 | 0 | 112.2 | W65 T66 R73 | W65-M69 HydrophobicContact CE3-CB 4.16Å; T66-M69 HydrophobicContact CG2-SD 4.28Å; T66-M69 PolarHBondContact O-N 2.94Å; T66-M69 VanDerWaalsContact O-N 3.14Å; T66-M69 WeakPolarHBondContact OG1-CG 3.22Å; T66-M69 PolarHBondContact OG1-N 3.25Å; M69-R73 WeakPolarHBondContact O-CB 3.45Å; M69-R73 PolarHBondContact O-N 3.14Å |
| 70 | V | 91.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -51.6 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | W65 T66 K67 E68 E72 R73 V74 F118 I140 V146 | W65-V70 HydrophobicContact CB-CG2 3.71Å; W65-V70 HydrophobicContact CG-CG2 4.35Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.2Å; K67-V70 PolarHBondContact O-N 3.38Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 2.83Å; V70-E72 PolarHBondContact O-N 2.96Å; V70-R73 PolarHBondContact O-N 2.69Å; V70-V74 HydrophobicContact CG1-CG2 4.05Å; V70-V74 WeakPolarHBondContact O-CB 3.49Å; V70-V74 WeakPolarHBondContact O-CG2 3.44Å; V70-V74 PolarHBondContact O-N 3.49Å; V70-F118 HydrophobicContact CB-CE1 4.37Å; V70-F118 HydrophobicContact CG1-CE1 4.26Å; V70-F118 HydrophobicContact CG1-CZ 4.16Å; V70-F118 HydrophobicContact CG2-CE1 3.99Å; V70-I140 HydrophobicContact CG1-CB 3.83Å; V70-I140 HydrophobicContact CG1-CG2 3.57Å; V70-I140 HydrophobicContact CG2-CG2 4.24Å; V70-V146 HydrophobicContact CG2-CG2 4.07Å |
| 71 | N | 90.8 | Very high | 83.9 | Confident | 47 Ų | 47 | 76 Ų | 76 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | -177.6 | -73.9 | -29.3 | 0 | 0 | 0 | 112.1 | K67 E68 R73 V74 I75 | K67-N71 PolarHBondContact O-N 3.34Å; K67-N71 VanDerWaalsContact O-N 3.14Å; K67-N71 PolarHBondContact O-ND2 2.74Å; E68-N71 PolarHBondContact O-N 2.83Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.67Å; N71-V74 PolarHBondContact O-N 3.47Å; N71-I75 WeakPolarHBondContact O-CB 3.42Å; N71-I75 WeakPolarHBondContact O-CD1 3.34Å; N71-I75 VanDerWaalsContact O-CG1 3.22Å; N71-I75 WeakPolarHBondContact O-CG1 3.2Å; N71-I75 PolarHBondContact O-N 3.23Å |
| 72 | E | 91.2 | Very high | 84.8 | Confident | 135 Ų | 135 | 74.3 Ų | 74.3 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 175.9 | -74 | -178.1 | 174.3 | 0 | 0 | 111.3 | E68 V70 I75 E76 | E68-E72 WeakPolarHBondContact O-CG 3.41Å; E68-E72 PolarHBondContact O-N 3.14Å; V70-E72 PolarHBondContact O-N 2.96Å; E72-I75 PolarHBondContact O-N 3.27Å; E72-E76 PolarHBondContact O-N 3.36Å |
| 73 | R | 91.9 | Very high | 85.6 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | -177.6 | -169.3 | 61.6 | 175.6 | 163 | 5.5 | 112.8 | W65 M69 V70 N71 I75 E76 I77 E117 F118 | W65-R73 HydrophobicContact CH2-CG 4.02Å; W65-R73 HydrophobicContact CZ3-CB 4.01Å; W65-R73 HydrophobicContact CZ3-CG 3.97Å; M69-R73 WeakPolarHBondContact O-CB 3.45Å; M69-R73 PolarHBondContact O-N 3.14Å; V70-R73 PolarHBondContact O-N 2.69Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.67Å; R73-I75 VanDerWaalsContact C-N 3.34Å; R73-E76 WeakPolarHBondContact CD-OE2 3.46Å; R73-E76 IonicContact CZ-OE2 3.95Å; R73-E76 IonicContact NE-OE2 2.8Å; R73-E76 IonicContact NH1-OE2 2.97Å; R73-E76 PolarHBondContact NH1-OE2 3.25Å; R73-E76 WeakPolarHBondContact O-CB 3.25Å; R73-E76 PolarHBondContact O-N 2.89Å; R73-I77 HydrophobicContact CG-CD1 4.19Å; R73-I77 WeakPolarHBondContact O-CG1 3.5Å; R73-I77 PolarHBondContact O-N 2.95Å; R73-E117 HydrophobicContact CG-CG 4.07Å; R73-E117 IonicContact CZ-OE2 2.83Å; R73-E117 IonicContact NE-OE1 3.87Å; R73-E117 IonicContact NE-OE2 3.69Å; R73-E117 PolarHBondContact NE-OE2 2.75Å; R73-E117 IonicContact NH2-OE1 3.98Å; R73-E117 IonicContact NH2-OE2 2.67Å; R73-E117 PolarHBondContact NH2-OE2 3.1Å; R73-F118 HydrophobicContact CB-CZ 4Å; R73-F118 HydrophobicContact CG-CZ 4.06Å |
| 74 | V | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 110 | V70 N71 E76 I77 I78 L114 F118 V133 I136 I140 | V70-V74 HydrophobicContact CG1-CG2 4.05Å; V70-V74 WeakPolarHBondContact O-CB 3.49Å; V70-V74 WeakPolarHBondContact O-CG2 3.44Å; V70-V74 PolarHBondContact O-N 3.49Å; N71-V74 PolarHBondContact O-N 3.47Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.86Å; V74-I77 PolarHBondContact O-N 3.31Å; V74-I78 HydrophobicContact CG1-CD1 3.62Å; V74-I78 WeakPolarHBondContact O-CD1 3.16Å; V74-I78 VanDerWaalsContact O-CG1 3.28Å; V74-I78 WeakPolarHBondContact O-CG1 3.17Å; V74-I78 PolarHBondContact O-N 2.79Å; V74-L114 HydrophobicContact CB-CD2 4.36Å; V74-L114 HydrophobicContact CG1-CD2 4.36Å; V74-L114 HydrophobicContact CG2-CD2 3.88Å; V74-F118 HydrophobicContact CG2-CE2 4.05Å; V74-F118 HydrophobicContact CG2-CZ 4.11Å; V74-V133 HydrophobicContact CG1-CG1 3.95Å; V74-I136 HydrophobicContact CG1-CB 4.3Å; V74-I136 HydrophobicContact CG1-CG2 3.67Å; V74-I136 HydrophobicContact CG2-CG2 4.19Å; V74-I140 HydrophobicContact CG2-CD1 3.62Å |
| 75 | I | 90.8 | Very high | 84.7 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.2 | -70.9 | 168 | 0 | 0 | 0 | 110.6 | N71 E72 R73 I78 S79 V90 V133 | N71-I75 WeakPolarHBondContact O-CB 3.42Å; N71-I75 WeakPolarHBondContact O-CD1 3.34Å; N71-I75 VanDerWaalsContact O-CG1 3.22Å; N71-I75 WeakPolarHBondContact O-CG1 3.2Å; N71-I75 PolarHBondContact O-N 3.23Å; E72-I75 PolarHBondContact O-N 3.27Å; R73-I75 VanDerWaalsContact C-N 3.34Å; I75-I78 PolarHBondContact O-N 3.31Å; I75-S79 WeakPolarHBondContact O-CB 3.46Å; I75-S79 PolarHBondContact O-N 3.02Å; I75-S79 PolarHBondContact O-OG 3.06Å; I75-V90 HydrophobicContact CG1-CG1 4.3Å; I75-V90 HydrophobicContact CG2-CB 4.15Å; I75-V90 HydrophobicContact CG2-CG1 4.23Å; I75-V133 HydrophobicContact CG1-CG1 3.83Å |
| 76 | E | 90.3 | Very high | 83.3 | Confident | 113 Ų | 113 | 65.4 Ų | 65.4 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.8 | -111.4 | -173.3 | 159.9 | 0 | 0 | 112.4 | E72 R73 V74 S79 G80 | E72-E76 PolarHBondContact O-N 3.36Å; R73-E76 WeakPolarHBondContact CD-OE2 3.46Å; R73-E76 IonicContact CZ-OE2 3.95Å; R73-E76 IonicContact NE-OE2 2.8Å; R73-E76 IonicContact NH1-OE2 2.97Å; R73-E76 PolarHBondContact NH1-OE2 3.25Å; R73-E76 WeakPolarHBondContact O-CB 3.25Å; R73-E76 PolarHBondContact O-N 2.89Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.86Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-G80 PolarHBondContact O-N 3.04Å |
| 77 | I | 90.4 | Very high | 81.8 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | -179.7 | -71.7 | 166.8 | 0 | 0 | 0 | 110 | R73 V74 G80 F81 A113 L114 E117 | R73-I77 HydrophobicContact CG-CD1 4.19Å; R73-I77 WeakPolarHBondContact O-CG1 3.5Å; R73-I77 PolarHBondContact O-N 2.95Å; V74-I77 PolarHBondContact O-N 3.31Å; I77-G80 PolarHBondContact O-N 3.05Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-A113 HydrophobicContact CG2-CB 3.95Å; I77-L114 HydrophobicContact CB-CD2 4.38Å; I77-L114 HydrophobicContact CD1-CD2 3.77Å; I77-L114 HydrophobicContact CG2-CD2 4.28Å; I77-L114 HydrophobicContact CG2-CG 4.44Å; I77-E117 HydrophobicContact CD1-CB 3.92Å; I77-E117 HydrophobicContact CD1-CG 4.01Å |
| 78 | I | 89.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | -179.9 | -65.5 | 164.7 | 0 | 0 | 0 | 110.1 | V74 I75 G80 F81 L84 V90 L96 L100 V110 V133 | V74-I78 HydrophobicContact CG1-CD1 3.62Å; V74-I78 WeakPolarHBondContact O-CD1 3.16Å; V74-I78 VanDerWaalsContact O-CG1 3.28Å; V74-I78 WeakPolarHBondContact O-CG1 3.17Å; V74-I78 PolarHBondContact O-N 2.79Å; I75-I78 PolarHBondContact O-N 3.31Å; I78-G80 PolarHBondContact O-N 3.37Å; I78-F81 WeakPolarHBondContact O-CB 3.28Å; I78-F81 PolarHBondContact O-N 2.95Å; I78-L84 HydrophobicContact CG2-CD1 4.11Å; I78-L84 WeakPolarHBondContact O-CD1 3.46Å; I78-V90 HydrophobicContact CG2-CG1 4.17Å; I78-V90 HydrophobicContact CG2-CG2 4.28Å; I78-L96 HydrophobicContact CD1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CD2 4.27Å; I78-L96 HydrophobicContact CG2-CD2 3.82Å; I78-L100 HydrophobicContact CG2-CD1 3.56Å; I78-V110 HydrophobicContact CG1-CG1 3.92Å; I78-V133 HydrophobicContact CD1-CB 4.44Å; I78-V133 HydrophobicContact CD1-CG1 4.17Å; I78-V133 HydrophobicContact CD1-CG2 3.84Å |
| 79 | S | 87.1 | Confident | 80.2 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -28.7 | -179.7 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | I75 E76 F81 V90 | I75-S79 WeakPolarHBondContact O-CB 3.46Å; I75-S79 PolarHBondContact O-N 3.02Å; I75-S79 PolarHBondContact O-OG 3.06Å; E76-S79 PolarHBondContact O-N 3.36Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 3.37Å; S79-V90 VanDerWaalsContact OG-CG2 3.3Å; S79-V90 WeakPolarHBondContact OG-CG2 3.48Å |
| 80 | G | 84.5 | Confident | 80.1 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E76 I77 I78 H82 | E76-G80 PolarHBondContact O-N 3.04Å; I77-G80 PolarHBondContact O-N 3.05Å; I78-G80 PolarHBondContact O-N 3.37Å; G80-H82 PolarHBondContact O-N 3.46Å |
| 81 | F | 83.8 | Confident | 79.9 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -66.5 | 128.7 | 178.5 | -105 | -103 | 0 | 0 | 0 | 111.3 | I77 I78 S79 R83 L84 E109 V110 A113 | I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I78-F81 WeakPolarHBondContact O-CB 3.28Å; I78-F81 PolarHBondContact O-N 2.95Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 3.37Å; F81-R83 PolarHBondContact O-N 2.91Å; F81-L84 WeakPolarHBondContact O-CB 3.44Å; F81-L84 PolarHBondContact O-N 3.15Å; F81-E109 HydrophobicContact CE1-CB 3.5Å; F81-E109 WeakPolarHBondContact CE1-OE2 3.41Å; F81-E109 HydrophobicContact CZ-CB 3.5Å; F81-V110 HydrophobicContact CD1-CG2 4.15Å; F81-V110 HydrophobicContact CD2-CG2 3.63Å; F81-V110 HydrophobicContact CE1-CG2 4.07Å; F81-V110 HydrophobicContact CE2-CB 4.29Å; F81-V110 HydrophobicContact CE2-CG2 3.54Å; F81-V110 HydrophobicContact CG-CG2 3.94Å; F81-V110 HydrophobicContact CZ-CB 4.45Å; F81-V110 HydrophobicContact CZ-CG2 3.78Å; F81-A113 HydrophobicContact CE2-CB 4.47Å |
| 82 | H | 72.3 | Confident | 79.8 | Confident | 126 Ų | 126 | 72.2 Ų | 72.2 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.2 | -170.7 | 53.9 | -92.1 | 0 | 0 | 0 | 114.3 | G80 L84 S85 E109 | G80-H82 PolarHBondContact O-N 3.46Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-S85 PolarHBondContact O-OG 3.31Å; H82-E109 IonicContact CE1-OE2 3.44Å |
| 83 | R | 72.3 | Confident | 79.7 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -19.7 | 177 | -59.2 | -148.6 | -163 | -179.8 | 17.1 | 114 | F81 S85 D103 D106 | F81-R83 PolarHBondContact O-N 2.91Å; R83-S85 PolarHBondContact O-N 3.45Å; R83-D103 IonicContact CZ-OD2 3.91Å; R83-D103 IonicContact NH1-OD2 3.69Å; R83-D103 PolarHBondContact NH1-OD2 3.02Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 IonicContact NH2-OD2 3.26Å; R83-D103 PolarHBondContact NH2-OD2 3.45Å; R83-D106 WeakPolarHBondContact CD-OD1 3.49Å; R83-D106 WeakPolarHBondContact CD-OD2 3.43Å; R83-D106 IonicContact CZ-OD1 2.85Å; R83-D106 IonicContact CZ-OD2 3.43Å; R83-D106 VanDerWaalsContact NE-CG 3.3Å; R83-D106 IonicContact NE-OD1 3.11Å; R83-D106 PolarHBondContact NE-OD1 3.42Å; R83-D106 IonicContact NE-OD2 2.74Å; R83-D106 PolarHBondContact NE-OD2 3.14Å; R83-D106 VanDerWaalsContact NE-OD2 3.11Å; R83-D106 IonicContact NH1-OD1 3.06Å; R83-D106 IonicContact NH1-OD2 3.17Å; R83-D106 PolarHBondContact NH1-OD2 3.03Å; R83-D106 IonicContact NH2-OD1 3.31Å; R83-D106 PolarHBondContact NH2-OD1 2.78Å; R83-D106 IonicContact NH2-OD2 2.7Å; R83-D106 PolarHBondContact NH2-OD2 2.93Å |
| 84 | L | 70.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | trans | -82.5 | 65.2 | 172.9 | -53.6 | -172.2 | 0 | 0 | 0 | 109.5 | I78 F81 H82 G86 V90 L100 L102 | I78-L84 HydrophobicContact CG2-CD1 4.11Å; I78-L84 WeakPolarHBondContact O-CD1 3.46Å; F81-L84 WeakPolarHBondContact O-CB 3.44Å; F81-L84 PolarHBondContact O-N 3.15Å; H82-L84 VanDerWaalsContact C-N 3.32Å; L84-G86 PolarHBondContact O-N 3.02Å; L84-G86 VanDerWaalsContact O-N 3.09Å; L84-V90 HydrophobicContact CD1-CG2 4.43Å; L84-L100 HydrophobicContact CD1-CD1 3.94Å; L84-L100 HydrophobicContact CD1-CD2 4.42Å; L84-L100 HydrophobicContact CD2-CB 3.83Å; L84-L100 HydrophobicContact CD2-CD1 4.37Å; L84-L100 HydrophobicContact CD2-CD2 4.23Å; L84-L100 HydrophobicContact CD2-CG 4.36Å; L84-L102 HydrophobicContact CD2-CD2 3.97Å | ||
| 85 | S | 51.7 | Low | 79.6 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | trans | -79.1 | 88 | 172.1 | -70 | 0 | 0 | 0 | 0 | 109.3 | H82 R83 | H82-S85 PolarHBondContact O-OG 3.31Å; R83-S85 PolarHBondContact O-N 3.45Å | ||
| 86 | G | 53.2 | Low | 79.5 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 150.7 | 169.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L84 K88 | L84-G86 PolarHBondContact O-N 3.02Å; L84-G86 VanDerWaalsContact O-N 3.09Å; G86-K88 PolarHBondContact O-N 3.47Å |
| 87 | E | 57.3 | Low | 79.4 | Confident | 197 Ų | 197 | 64.4 Ų | 64.4 | 92% | 0.921 | 38% | 0.383 | S | S | * | . | trans | -59.9 | 28 | 172.6 | -81.7 | 179.5 | 144.4 | 0 | 0 | 114.3 | S89 | E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 PolarHBondContact O-OG 3.05Å | ||
| 88 | K | 66.1 | Low | 79.3 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | trans | -60.8 | 101.4 | 171.4 | -76.8 | -162.5 | 179.4 | -168.3 | 0 | 107.3 | G86 V90 D99 L100 | G86-K88 PolarHBondContact O-N 3.47Å; K88-V90 PolarHBondContact O-N 3.46Å; K88-D99 PolarHBondContact NZ-O 3.27Å; K88-D99 VanDerWaalsContact NZ-O 3.13Å; K88-L100 HydrophobicContact CB-CD2 4.26Å; K88-L100 HydrophobicContact CD-CD2 4.02Å; K88-L100 PolarHBondContact NZ-O 2.93Å | ||
| 89 | S | 77.8 | Confident | 79.3 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | trans | -68.4 | 105.2 | -179.5 | -63.8 | 0 | 0 | 0 | 0 | 107.8 | E87 T91 | E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 PolarHBondContact O-OG 3.05Å; S89-T91 PolarHBondContact O-N 3.18Å | ||
| 90 | V | 86.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | trans | -74.5 | 112.8 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | I75 I78 S79 L84 K88 L100 V133 | I75-V90 HydrophobicContact CG1-CG1 4.3Å; I75-V90 HydrophobicContact CG2-CB 4.15Å; I75-V90 HydrophobicContact CG2-CG1 4.23Å; I78-V90 HydrophobicContact CG2-CG1 4.17Å; I78-V90 HydrophobicContact CG2-CG2 4.28Å; S79-V90 VanDerWaalsContact OG-CG2 3.3Å; S79-V90 WeakPolarHBondContact OG-CG2 3.48Å; L84-V90 HydrophobicContact CD1-CG2 4.43Å; K88-V90 PolarHBondContact O-N 3.46Å; V90-L100 HydrophobicContact CG2-CD1 4.35Å; V90-L100 HydrophobicContact CG2-CD2 4.33Å; V90-V133 HydrophobicContact CG1-CG2 3.74Å | ||
| 91 | T | 88.6 | Confident | 79.3 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 37% | 0.368 | 41% | 0.414 | S | S | . | . | trans | -107.5 | 161.7 | 176.1 | 70 | 0 | 0 | 0 | 0 | 109.7 | S89 S93 T94 | S89-T91 PolarHBondContact O-N 3.18Å; T91-S93 PolarHBondContact O-N 2.92Å; T91-S93 VanDerWaalsContact O-N 3.13Å; T91-T94 PolarHBondContact N-OG1 3.02Å; T91-T94 WeakPolarHBondContact O-CB 3.22Å; T91-T94 PolarHBondContact O-N 3.2Å; T91-T94 PolarHBondContact O-OG1 3.36Å; T91-T94 PolarHBondContact OG1-N 3.48Å; T91-T94 PolarHBondContact OG1-OG1 3.31Å | ||
| 92 | P | 87.5 | Confident | 79.5 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.1 | 174.9 | -24.6 | 33.6 | 0 | 0 | 0 | 112.8 | T94 H134 | P92-T94 VanDerWaalsContact C-N 3.31Å; P92-H134 HydrophobicContact CB-CB 4.21Å; P92-H134 WeakPolarHBondContact O-CB 3.46Å; P92-H134 PolarHBondContact O-N 3.38Å |
| 93 | S | 90.1 | Very high | 80.3 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 70% | 0.699 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.4 | -179.8 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | T91 | T91-S93 PolarHBondContact O-N 2.92Å; T91-S93 VanDerWaalsContact O-N 3.13Å |
| 94 | T | 90.7 | Very high | 81 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | trans | -69.2 | 132.5 | -178.3 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | T91 P92 D99 L100 T132 V133 | T91-T94 PolarHBondContact N-OG1 3.02Å; T91-T94 WeakPolarHBondContact O-CB 3.22Å; T91-T94 PolarHBondContact O-N 3.2Å; T91-T94 PolarHBondContact O-OG1 3.36Å; T91-T94 PolarHBondContact OG1-N 3.48Å; T91-T94 PolarHBondContact OG1-OG1 3.31Å; P92-T94 VanDerWaalsContact C-N 3.31Å; T94-D99 HydrophobicContact CG2-CB 3.84Å; T94-L100 HydrophobicContact CG2-CD1 4.04Å; T94-L100 HydrophobicContact CG2-CD2 3.73Å; T94-L100 HydrophobicContact CG2-CG 3.61Å; T94-T132 WeakPolarHBondContact O-CA 3.31Å; T94-V133 PolarHBondContact O-N 2.82Å | ||
| 95 | H | 90.8 | Very high | 82 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 17% | 0.171 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -94.1 | 125.4 | 176.9 | -165.2 | -55.8 | 0 | 0 | 0 | 110.5 | V97 N98 D99 L100 L131 T132 | H95-V97 PolarHBondContact ND1-N 2.85Å; H95-V97 PolarHBondContact O-N 2.67Å; H95-N98 HydrophobicContact CB-CB 4.13Å; H95-N98 PolarHBondContact CE1-ND2 3.01Å; H95-N98 PolarHBondContact ND1-N 3.48Å; H95-N98 PolarHBondContact NE2-ND2 2.66Å; H95-D99 WeakPolarHBondContact CB-OD2 3.48Å; H95-D99 PolarHBondContact N-OD2 3.29Å; H95-D99 WeakPolarHBondContact O-CB 3.2Å; H95-D99 PolarHBondContact O-N 3.41Å; H95-L100 PolarHBondContact O-N 3.37Å; H95-L131 WeakPolarHBondContact CA-O 3.3Å; H95-T132 HydrophobicContact CB-CG2 4.39Å |
| 96 | L | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -58.5 | -48.2 | -174.4 | -67.7 | -179 | 0 | 0 | 0 | 112.6 | I78 L100 G101 L102 L131 I136 | I78-L96 HydrophobicContact CD1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CD2 4.27Å; I78-L96 HydrophobicContact CG2-CD2 3.82Å; L96-L100 HydrophobicContact CD2-CD1 3.93Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-G101 PolarHBondContact O-N 2.94Å; L96-L102 HydrophobicContact CB-CD1 4.21Å; L96-L102 HydrophobicContact CD2-CD1 4.02Å; L96-L102 WeakPolarHBondContact O-CB 3.41Å; L96-L102 PolarHBondContact O-N 3.42Å; L96-L102 VanDerWaalsContact O-N 3.12Å; L96-L131 WeakPolarHBondContact CG-O 3.48Å; L96-L131 PolarHBondContact N-O 3.34Å; L96-I136 HydrophobicContact CD1-CD1 3.55Å; L96-I136 HydrophobicContact CG-CD1 4.42Å |
| 97 | V | 87.8 | Confident | 85.5 | Confident | 62 Ų | 62 | 63 Ų | 63 | 38% | 0.376 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -78.2 | -49.4 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | H95 G101 | H95-V97 PolarHBondContact ND1-N 2.85Å; H95-V97 PolarHBondContact O-N 2.67Å; V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.31Å; V97-G101 VanDerWaalsContact O-N 3.15Å |
| 98 | N | 88.3 | Confident | 87.1 | Confident | 120 Ų | 120 | 57.6 Ų | 57.6 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -78.3 | -41.2 | -170.4 | -65.5 | -30 | 0 | 0 | 0 | 114.2 | H95 | H95-N98 HydrophobicContact CB-CB 4.13Å; H95-N98 PolarHBondContact CE1-ND2 3.01Å; H95-N98 PolarHBondContact ND1-N 3.48Å; H95-N98 PolarHBondContact NE2-ND2 2.66Å |
| 99 | D | 88.8 | Confident | 88.3 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -94.1 | -43.1 | -175.6 | -63 | -43.9 | 0 | 0 | 0 | 111.8 | K88 T94 H95 | K88-D99 PolarHBondContact NZ-O 3.27Å; K88-D99 VanDerWaalsContact NZ-O 3.13Å; T94-D99 HydrophobicContact CG2-CB 3.84Å; H95-D99 WeakPolarHBondContact CB-OD2 3.48Å; H95-D99 PolarHBondContact N-OD2 3.29Å; H95-D99 WeakPolarHBondContact O-CB 3.2Å; H95-D99 PolarHBondContact O-N 3.41Å |
| 100 | L | 87.1 | Confident | 88.9 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -82.6 | -26 | -179.8 | -59 | -178.1 | 0 | 0 | 0 | 112 | I78 L84 K88 V90 T94 H95 L96 L102 | I78-L100 HydrophobicContact CG2-CD1 3.56Å; L84-L100 HydrophobicContact CD1-CD1 3.94Å; L84-L100 HydrophobicContact CD1-CD2 4.42Å; L84-L100 HydrophobicContact CD2-CB 3.83Å; L84-L100 HydrophobicContact CD2-CD1 4.37Å; L84-L100 HydrophobicContact CD2-CD2 4.23Å; L84-L100 HydrophobicContact CD2-CG 4.36Å; K88-L100 HydrophobicContact CB-CD2 4.26Å; K88-L100 HydrophobicContact CD-CD2 4.02Å; K88-L100 PolarHBondContact NZ-O 2.93Å; V90-L100 HydrophobicContact CG2-CD1 4.35Å; V90-L100 HydrophobicContact CG2-CD2 4.33Å; T94-L100 HydrophobicContact CG2-CD1 4.04Å; T94-L100 HydrophobicContact CG2-CD2 3.73Å; T94-L100 HydrophobicContact CG2-CG 3.61Å; H95-L100 PolarHBondContact O-N 3.37Å; L96-L100 HydrophobicContact CD2-CD1 3.93Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L100-L102 HydrophobicContact CB-CG 4.08Å |
| 101 | G | 85.9 | Confident | 89.1 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | trans | 76.1 | 26.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L96 V97 | L96-G101 PolarHBondContact O-N 2.94Å; V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.31Å; V97-G101 VanDerWaalsContact O-N 3.15Å | ||
| 102 | L | 87.2 | Confident | 89.3 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -68.6 | 137.1 | 175.9 | -64 | -175.2 | 0 | 0 | 0 | 109.7 | L84 L96 L100 D106 V110 | L84-L102 HydrophobicContact CD2-CD2 3.97Å; L96-L102 HydrophobicContact CB-CD1 4.21Å; L96-L102 HydrophobicContact CD2-CD1 4.02Å; L96-L102 WeakPolarHBondContact O-CB 3.41Å; L96-L102 PolarHBondContact O-N 3.42Å; L96-L102 VanDerWaalsContact O-N 3.12Å; L100-L102 HydrophobicContact CB-CG 4.08Å; L102-D106 HydrophobicContact CB-CB 3.96Å; L102-D106 HydrophobicContact CD2-CB 4Å; L102-D106 HydrophobicContact CG-CB 4.4Å; L102-V110 HydrophobicContact CD1-CG2 4.31Å | ||
| 103 | D | 89.5 | Confident | 89.6 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | trans | -81.7 | 176.4 | 172.5 | 70.5 | 30.4 | 0 | 0 | 0 | 111.3 | R83 L105 D106 H107 | R83-D103 IonicContact CZ-OD2 3.91Å; R83-D103 IonicContact NH1-OD2 3.69Å; R83-D103 PolarHBondContact NH1-OD2 3.02Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 IonicContact NH2-OD2 3.26Å; R83-D103 PolarHBondContact NH2-OD2 3.45Å; D103-L105 PolarHBondContact O-N 3.27Å; D103-L105 WeakPolarHBondContact OD1-CA 3.39Å; D103-L105 VanDerWaalsContact OD1-CB 3.31Å; D103-L105 WeakPolarHBondContact OD1-CB 3.44Å; D103-L105 PolarHBondContact OD1-N 2.96Å; D103-D106 VanDerWaalsContact CG-OD2 3.31Å; D103-D106 PolarHBondContact N-OD2 3.28Å; D103-D106 VanDerWaalsContact N-OD2 3.17Å; D103-D106 PolarHBondContact O-N 3.41Å; D103-D106 VanDerWaalsContact OD1-CG 3.25Å; D103-D106 PolarHBondContact OD1-N 2.99Å; D103-H107 PolarHBondContact O-N 2.97Å; D103-H107 VanDerWaalsContact O-N 3.07Å | ||
| 104 | S | 87.4 | Confident | 89.7 | Confident | 103 Ų | 103 | 45.1 Ų | 45.1 | 72% | 0.72 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.5 | -24.5 | -179.6 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | V108 | S104-V108 WeakPolarHBondContact O-CG2 3.36Å; S104-V108 PolarHBondContact O-N 3.48Å |
| 105 | L | 90 | Very high | 89.7 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.8 | -43.6 | 177.1 | -178.4 | 64.4 | 0 | 0 | 0 | 110.1 | D103 H107 V108 E109 | D103-L105 PolarHBondContact O-N 3.27Å; D103-L105 WeakPolarHBondContact OD1-CA 3.39Å; D103-L105 VanDerWaalsContact OD1-CB 3.31Å; D103-L105 WeakPolarHBondContact OD1-CB 3.44Å; D103-L105 PolarHBondContact OD1-N 2.96Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.22Å; L105-V108 PolarHBondContact O-N 3.45Å; L105-E109 PolarHBondContact O-N 2.94Å |
| 106 | D | 89.5 | Confident | 89.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 176.3 | -60.8 | -37.6 | 0 | 0 | 0 | 111.6 | R83 L102 D103 V108 E109 V110 | R83-D106 WeakPolarHBondContact CD-OD1 3.49Å; R83-D106 WeakPolarHBondContact CD-OD2 3.43Å; R83-D106 IonicContact CZ-OD1 2.85Å; R83-D106 IonicContact CZ-OD2 3.43Å; R83-D106 VanDerWaalsContact NE-CG 3.3Å; R83-D106 IonicContact NE-OD1 3.11Å; R83-D106 PolarHBondContact NE-OD1 3.42Å; R83-D106 IonicContact NE-OD2 2.74Å; R83-D106 PolarHBondContact NE-OD2 3.14Å; R83-D106 VanDerWaalsContact NE-OD2 3.11Å; R83-D106 IonicContact NH1-OD1 3.06Å; R83-D106 IonicContact NH1-OD2 3.17Å; R83-D106 PolarHBondContact NH1-OD2 3.03Å; R83-D106 IonicContact NH2-OD1 3.31Å; R83-D106 PolarHBondContact NH2-OD1 2.78Å; R83-D106 IonicContact NH2-OD2 2.7Å; R83-D106 PolarHBondContact NH2-OD2 2.93Å; L102-D106 HydrophobicContact CB-CB 3.96Å; L102-D106 HydrophobicContact CD2-CB 4Å; L102-D106 HydrophobicContact CG-CB 4.4Å; D103-D106 VanDerWaalsContact CG-OD2 3.31Å; D103-D106 PolarHBondContact N-OD2 3.28Å; D103-D106 VanDerWaalsContact N-OD2 3.17Å; D103-D106 PolarHBondContact O-N 3.41Å; D103-D106 VanDerWaalsContact OD1-CG 3.25Å; D103-D106 PolarHBondContact OD1-N 2.99Å; D106-V108 PolarHBondContact O-N 3.41Å; D106-E109 PolarHBondContact O-N 2.73Å; D106-V110 WeakPolarHBondContact O-CG2 3.15Å; D106-V110 PolarHBondContact O-N 3.41Å |
| 107 | H | 89.7 | Confident | 89.7 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.2 | 178.1 | -94.3 | 0 | 0 | 0 | 112.1 | D103 L105 V110 V111 S127 L130 | D103-H107 PolarHBondContact O-N 2.97Å; D103-H107 VanDerWaalsContact O-N 3.07Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.22Å; H107-V110 PolarHBondContact O-N 3.12Å; H107-V111 WeakPolarHBondContact O-CG2 3.21Å; H107-V111 PolarHBondContact O-N 3.23Å; H107-S127 PolarHBondContact CE1-O 3.39Å; H107-S127 PolarHBondContact NE2-O 2.92Å; H107-L130 PolarHBondContact NE2-O 3.48Å |
| 108 | V | 90.4 | Very high | 89.8 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | S104 L105 D106 V111 S112 | S104-V108 WeakPolarHBondContact O-CG2 3.36Å; S104-V108 PolarHBondContact O-N 3.48Å; L105-V108 PolarHBondContact O-N 3.45Å; D106-V108 PolarHBondContact O-N 3.41Å; V108-V111 PolarHBondContact O-N 3.33Å; V108-S112 WeakPolarHBondContact O-CB 3.45Å; V108-S112 PolarHBondContact O-N 2.9Å |
| 109 | E | 91 | Very high | 89.8 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.7 | -69.5 | -173.4 | -177.3 | 0 | 0 | 111.8 | F81 H82 L105 D106 S112 A113 | F81-E109 HydrophobicContact CE1-CB 3.5Å; F81-E109 WeakPolarHBondContact CE1-OE2 3.41Å; F81-E109 HydrophobicContact CZ-CB 3.5Å; H82-E109 IonicContact CE1-OE2 3.44Å; L105-E109 PolarHBondContact O-N 2.94Å; D106-E109 PolarHBondContact O-N 2.73Å; E109-S112 PolarHBondContact O-N 3.32Å; E109-A113 WeakPolarHBondContact O-CB 3.01Å; E109-A113 PolarHBondContact O-N 3.2Å |
| 110 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 175.5 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | I78 F81 L102 D106 H107 S112 A113 L114 | I78-V110 HydrophobicContact CG1-CG1 3.92Å; F81-V110 HydrophobicContact CD1-CG2 4.15Å; F81-V110 HydrophobicContact CD2-CG2 3.63Å; F81-V110 HydrophobicContact CE1-CG2 4.07Å; F81-V110 HydrophobicContact CE2-CB 4.29Å; F81-V110 HydrophobicContact CE2-CG2 3.54Å; F81-V110 HydrophobicContact CG-CG2 3.94Å; F81-V110 HydrophobicContact CZ-CB 4.45Å; F81-V110 HydrophobicContact CZ-CG2 3.78Å; L102-V110 HydrophobicContact CD1-CG2 4.31Å; D106-V110 WeakPolarHBondContact O-CG2 3.15Å; D106-V110 PolarHBondContact O-N 3.41Å; H107-V110 PolarHBondContact O-N 3.12Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 2.84Å; V110-A113 PolarHBondContact O-N 2.86Å; V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.73Å |
| 111 | V | 91.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | H107 V108 A113 L114 E115 I122 | H107-V111 WeakPolarHBondContact O-CG2 3.21Å; H107-V111 PolarHBondContact O-N 3.23Å; V108-V111 PolarHBondContact O-N 3.33Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.42Å; V111-L114 WeakPolarHBondContact O-CB 3.49Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.14Å; V111-E115 HydrophobicContact CG1-CG 4.48Å; V111-E115 WeakPolarHBondContact O-CG 3.33Å; V111-E115 PolarHBondContact O-N 3.09Å; V111-I122 HydrophobicContact CG1-CB 4.27Å; V111-I122 HydrophobicContact CG1-CD1 4.29Å |
| 112 | S | 92.1 | Very high | 90.2 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 112.7 | V108 E109 V110 L114 E115 E116 | V108-S112 WeakPolarHBondContact O-CB 3.45Å; V108-S112 PolarHBondContact O-N 2.9Å; E109-S112 PolarHBondContact O-N 3.32Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 2.84Å; S112-L114 VanDerWaalsContact C-N 3.32Å; S112-L114 PolarHBondContact O-N 3.37Å; S112-E115 WeakPolarHBondContact O-CB 3.31Å; S112-E115 PolarHBondContact O-N 3.33Å; S112-E116 PolarHBondContact O-N 2.86Å |
| 113 | A | 92.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I77 F81 E109 V110 V111 E117 | I77-A113 HydrophobicContact CG2-CB 3.95Å; F81-A113 HydrophobicContact CE2-CB 4.47Å; E109-A113 WeakPolarHBondContact O-CB 3.01Å; E109-A113 PolarHBondContact O-N 3.2Å; V110-A113 PolarHBondContact O-N 2.86Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.42Å; A113-E117 WeakPolarHBondContact O-CB 3.48Å; A113-E117 PolarHBondContact O-N 2.97Å |
| 114 | L | 92.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -44.9 | 174.9 | -66.6 | 165.4 | 0 | 0 | 0 | 111.4 | V74 I77 V110 V111 S112 E116 E117 F118 I136 I140 | V74-L114 HydrophobicContact CB-CD2 4.36Å; V74-L114 HydrophobicContact CG1-CD2 4.36Å; V74-L114 HydrophobicContact CG2-CD2 3.88Å; I77-L114 HydrophobicContact CB-CD2 4.38Å; I77-L114 HydrophobicContact CD1-CD2 3.77Å; I77-L114 HydrophobicContact CG2-CD2 4.28Å; I77-L114 HydrophobicContact CG2-CG 4.44Å; V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.73Å; V111-L114 WeakPolarHBondContact O-CB 3.49Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.14Å; S112-L114 VanDerWaalsContact C-N 3.32Å; S112-L114 PolarHBondContact O-N 3.37Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.01Å; L114-E117 PolarHBondContact O-N 3.28Å; L114-F118 HydrophobicContact CB-CD2 4.49Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.83Å; L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.03Å; L114-I136 HydrophobicContact CD1-CG2 3.5Å; L114-I140 HydrophobicContact CB-CD1 4.31Å; L114-I140 HydrophobicContact CD1-CD1 4.44Å; L114-I140 HydrophobicContact CD2-CD1 3.97Å; L114-I140 HydrophobicContact CG-CD1 4.49Å |
| 115 | E | 92.2 | Very high | 90.7 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.3 | -45.9 | 174.2 | -72.7 | -178.6 | 136.9 | 0 | 0 | 112 | V111 S112 G119 L120 I122 | V111-E115 HydrophobicContact CG1-CG 4.48Å; V111-E115 WeakPolarHBondContact O-CG 3.33Å; V111-E115 PolarHBondContact O-N 3.09Å; S112-E115 WeakPolarHBondContact O-CB 3.31Å; S112-E115 PolarHBondContact O-N 3.33Å; E115-G119 CarbonylContact O-C 3.58Å; E115-G119 WeakPolarHBondContact O-CA 3.46Å; E115-G119 PolarHBondContact O-N 3.22Å; E115-L120 WeakPolarHBondContact CA-O 3.34Å; E115-L120 HydrophobicContact CB-CD1 4.44Å; E115-L120 VanDerWaalsContact CB-O 3.28Å; E115-L120 WeakPolarHBondContact CB-O 3.35Å; E115-L120 HydrophobicContact CG-CD1 3.99Å; E115-L120 PolarHBondContact O-N 2.89Å; E115-I122 HydrophobicContact CG-CB 4.31Å; E115-I122 HydrophobicContact CG-CD1 4.38Å; E115-I122 HydrophobicContact CG-CG1 3.95Å; E115-I122 WeakPolarHBondContact OE1-CA 3.43Å; E115-I122 PolarHBondContact OE1-N 2.96Å |
| 116 | E | 91.2 | Very high | 90.8 | Very high | 167 Ų | 167 | 56 Ų | 56 | 78% | 0.78 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.3 | -41 | -179.1 | -167.5 | 173 | -164.4 | 0 | 0 | 112.8 | S112 L114 | S112-E116 PolarHBondContact O-N 2.86Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.01Å |
| 117 | E | 88.9 | Confident | 90.8 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 179.7 | -178.6 | 72.3 | -132.5 | 0 | 0 | 111.8 | R63 W65 R73 I77 A113 L114 | R63-E117 IonicContact CZ-OE1 3.73Å; R63-E117 IonicContact NH1-OE1 2.75Å; R63-E117 PolarHBondContact NH1-OE1 3.07Å; R63-E117 IonicContact NH2-OE1 3.8Å; W65-E117 HydrophobicContact CH2-CG 4.01Å; W65-E117 HydrophobicContact CZ2-CG 4.24Å; R73-E117 HydrophobicContact CG-CG 4.07Å; R73-E117 IonicContact CZ-OE2 2.83Å; R73-E117 IonicContact NE-OE1 3.87Å; R73-E117 IonicContact NE-OE2 3.69Å; R73-E117 PolarHBondContact NE-OE2 2.75Å; R73-E117 IonicContact NH2-OE1 3.98Å; R73-E117 IonicContact NH2-OE2 2.67Å; R73-E117 PolarHBondContact NH2-OE2 3.1Å; I77-E117 HydrophobicContact CD1-CB 3.92Å; I77-E117 HydrophobicContact CD1-CG 4.01Å; A113-E117 WeakPolarHBondContact O-CB 3.48Å; A113-E117 PolarHBondContact O-N 2.97Å; L114-E117 PolarHBondContact O-N 3.28Å |
| 118 | F | 89.6 | Confident | 90.8 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -91.1 | -9.1 | -176.5 | -64.4 | -77.6 | 0 | 0 | 0 | 113.2 | W65 V70 R73 V74 L114 L120 I140 | W65-F118 AromaticContact CD2-CD1 3.69Å; W65-F118 HydrophobicContact CD2-CD1 3.69Å; W65-F118 AromaticContact CD2-CE1 3.57Å; W65-F118 HydrophobicContact CD2-CE1 3.57Å; W65-F118 AromaticContact CE2-CD1 3.42Å; W65-F118 VanDerWaalsContact CE2-CD1 3.42Å; W65-F118 AromaticContact CE2-CE1 3.69Å; W65-F118 HydrophobicContact CE3-CD1 4.16Å; W65-F118 AromaticContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CG-CD1 4.09Å; W65-F118 HydrophobicContact CG-CE1 4.21Å; W65-F118 HydrophobicContact CH2-CD1 4.12Å; W65-F118 AromaticContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CZ 4.43Å; W65-F118 AromaticContact CZ2-CD1 3.67Å; W65-F118 HydrophobicContact CZ2-CD1 3.67Å; W65-F118 AromaticContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ3-CD1 4.36Å; W65-F118 AromaticContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CZ 4.34Å; W65-F118 AromaticContact NE1-CD1 3.68Å; V70-F118 HydrophobicContact CB-CE1 4.37Å; V70-F118 HydrophobicContact CG1-CE1 4.26Å; V70-F118 HydrophobicContact CG1-CZ 4.16Å; V70-F118 HydrophobicContact CG2-CE1 3.99Å; R73-F118 HydrophobicContact CB-CZ 4Å; R73-F118 HydrophobicContact CG-CZ 4.06Å; V74-F118 HydrophobicContact CG2-CE2 4.05Å; V74-F118 HydrophobicContact CG2-CZ 4.11Å; L114-F118 HydrophobicContact CB-CD2 4.49Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.83Å; L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.03Å; F118-L120 HydrophobicContact CB-CD2 3.36Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 HydrophobicContact CG-CD2 4.18Å; F118-I140 HydrophobicContact CB-CG2 4.31Å; F118-I140 HydrophobicContact CD1-CG2 3.74Å; F118-I140 HydrophobicContact CD2-CD1 3.83Å; F118-I140 HydrophobicContact CD2-CG1 4.49Å; F118-I140 HydrophobicContact CD2-CG2 3.93Å; F118-I140 HydrophobicContact CE1-CG2 3.97Å; F118-I140 HydrophobicContact CE2-CD1 3.72Å; F118-I140 HydrophobicContact CE2-CG2 4.18Å; F118-I140 HydrophobicContact CG-CG2 3.72Å; F118-I140 HydrophobicContact CZ-CD1 4.45Å; F118-I140 HydrophobicContact CZ-CG2 4.18Å |
| 119 | G | 88 | Confident | 90.9 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 73% | 0.732 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 38.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E115 | E115-G119 CarbonylContact O-C 3.58Å; E115-G119 WeakPolarHBondContact O-CA 3.46Å; E115-G119 PolarHBondContact O-N 3.22Å |
| 120 | L | 88.6 | Confident | 90.9 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | trans | -118.1 | 166 | -177.7 | 55.4 | 85.1 | 0 | 0 | 0 | 110.7 | E115 F118 I122 I140 | E115-L120 WeakPolarHBondContact CA-O 3.34Å; E115-L120 HydrophobicContact CB-CD1 4.44Å; E115-L120 VanDerWaalsContact CB-O 3.28Å; E115-L120 WeakPolarHBondContact CB-O 3.35Å; E115-L120 HydrophobicContact CG-CD1 3.99Å; E115-L120 PolarHBondContact O-N 2.89Å; F118-L120 HydrophobicContact CB-CD2 3.36Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 HydrophobicContact CG-CD2 4.18Å; L120-I122 HydrophobicContact CD1-CD1 3.54Å; L120-I122 HydrophobicContact CD1-CG1 3.27Å; L120-I140 HydrophobicContact CD2-CB 4.33Å; L120-I140 HydrophobicContact CD2-CG1 4.04Å; L120-I140 HydrophobicContact CD2-CG2 3.89Å | ||
| 121 | E | 89.7 | Confident | 90.9 | Very high | 179 Ų | 179 | 64.5 Ų | 64.5 | 84% | 0.836 | 36% | 0.355 | S | S | * | . | trans | -125.6 | 116.3 | 179.3 | -159.1 | 178.4 | 173.6 | 0 | 0 | 107.5 | ||||
| 122 | I | 90.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | trans | -105.9 | 114.3 | -178.5 | -53.4 | -172.6 | 0 | 0 | 0 | 107.6 | V111 E115 L120 D126 L130 Y139 | V111-I122 HydrophobicContact CG1-CB 4.27Å; V111-I122 HydrophobicContact CG1-CD1 4.29Å; E115-I122 HydrophobicContact CG-CB 4.31Å; E115-I122 HydrophobicContact CG-CD1 4.38Å; E115-I122 HydrophobicContact CG-CG1 3.95Å; E115-I122 WeakPolarHBondContact OE1-CA 3.43Å; E115-I122 PolarHBondContact OE1-N 2.96Å; L120-I122 HydrophobicContact CD1-CD1 3.54Å; L120-I122 HydrophobicContact CD1-CG1 3.27Å; I122-D126 HydrophobicContact CG2-CB 4.16Å; I122-L130 HydrophobicContact CD1-CD1 4.32Å; I122-L130 HydrophobicContact CG2-CD1 4.27Å; I122-Y139 HydrophobicContact CB-CE1 4.46Å; I122-Y139 HydrophobicContact CD1-CD1 4.15Å; I122-Y139 HydrophobicContact CD1-CE1 4.11Å; I122-Y139 HydrophobicContact CG1-CD1 4.46Å; I122-Y139 HydrophobicContact CG1-CE1 3.93Å; I122-Y139 HydrophobicContact CG2-CE1 4.01Å | ||
| 123 | P | 92.5 | Very high | 91 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | trans | -65.1 | 145.6 | 176.3 | 27.3 | -32.4 | 0 | 0 | 0 | 110.7 | S125 D126 S127 | P123-S125 PolarHBondContact O-N 3.01Å; P123-D126 HydrophobicContact CG-CB 4.02Å; P123-D126 PolarHBondContact O-N 2.75Å; P123-S127 PolarHBondContact O-N 3.31Å | ||
| 124 | D | 90.3 | Very high | 90.9 | Very high | 123 Ų | 123 | 65.4 Ų | 65.4 | 66% | 0.658 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -49.5 | -41.4 | -178.8 | -68.2 | -38 | 0 | 0 | 0 | 112.3 | D126 S127 E128 | D124-D126 PolarHBondContact O-N 2.8Å; D124-S127 WeakPolarHBondContact CA-OG 3.49Å; D124-S127 PolarHBondContact O-N 3.5Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact O-OG 2.82Å; D124-E128 WeakPolarHBondContact O-CG 3.41Å; D124-E128 PolarHBondContact O-N 3.06Å |
| 125 | S | 91.9 | Very high | 91 | Very high | 79 Ų | 79 | 69.3 Ų | 69.3 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -24.2 | 179.9 | -48 | 0 | 0 | 0 | 0 | 115.2 | P123 K129 | P123-S125 PolarHBondContact O-N 3.01Å; S125-K129 VanDerWaalsContact O-CE 3.22Å; S125-K129 WeakPolarHBondContact O-CE 3.16Å; S125-K129 PolarHBondContact O-NZ 3.06Å |
| 126 | D | 92.2 | Very high | 91 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -89.1 | -41.7 | 171.9 | -75 | -8.5 | 0 | 0 | 0 | 109.8 | I122 P123 D124 E128 K129 L130 Y139 | I122-D126 HydrophobicContact CG2-CB 4.16Å; P123-D126 HydrophobicContact CG-CB 4.02Å; P123-D126 PolarHBondContact O-N 2.75Å; D124-D126 PolarHBondContact O-N 2.8Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.11Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.39Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.07Å; D126-Y139 HydrophobicContact CB-CE2 4.02Å; D126-Y139 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y139 PolarHBondContact OD2-OH 3.09Å |
| 127 | S | 90.8 | Very high | 91 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.2 | -43.8 | 179.3 | 82.3 | 0 | 0 | 0 | 0 | 112.4 | H107 P123 D124 K129 L130 | H107-S127 PolarHBondContact CE1-O 3.39Å; H107-S127 PolarHBondContact NE2-O 2.92Å; P123-S127 PolarHBondContact O-N 3.31Å; D124-S127 WeakPolarHBondContact CA-OG 3.49Å; D124-S127 PolarHBondContact O-N 3.5Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact O-OG 2.82Å; S127-K129 PolarHBondContact O-N 3.36Å; S127-K129 VanDerWaalsContact O-N 3.09Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 3.22Å |
| 128 | E | 90.1 | Very high | 91.2 | Very high | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.5 | -179.9 | -72.6 | 179.1 | 175 | 0 | 0 | 113.5 | D124 D126 | D124-E128 WeakPolarHBondContact O-CG 3.41Å; D124-E128 PolarHBondContact O-N 3.06Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.11Å |
| 129 | K | 90.7 | Very high | 91.3 | Very high | 136 Ų | 136 | 61.8 Ų | 61.8 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -16.2 | 178.4 | -59.5 | 171.8 | -169.3 | 149.2 | 0 | 112.4 | S125 D126 S127 L131 | S125-K129 VanDerWaalsContact O-CE 3.22Å; S125-K129 WeakPolarHBondContact O-CE 3.16Å; S125-K129 PolarHBondContact O-NZ 3.06Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.39Å; S127-K129 PolarHBondContact O-N 3.36Å; S127-K129 VanDerWaalsContact O-N 3.09Å; K129-L131 PolarHBondContact O-N 2.85Å |
| 130 | L | 91.9 | Very high | 91.4 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | trans | -81.5 | 85.2 | 179.9 | -64.7 | 179.5 | 0 | 0 | 0 | 109.6 | H107 I122 D126 S127 E135 I136 Y139 | H107-L130 PolarHBondContact NE2-O 3.48Å; I122-L130 HydrophobicContact CD1-CD1 4.32Å; I122-L130 HydrophobicContact CG2-CD1 4.27Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.07Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 3.22Å; L130-E135 HydrophobicContact CD2-CB 4.11Å; L130-I136 HydrophobicContact CB-CD1 4.47Å; L130-I136 HydrophobicContact CB-CG1 3.73Å; L130-I136 HydrophobicContact CD1-CG1 4.35Å; L130-I136 HydrophobicContact CG-CG1 4.42Å; L130-Y139 HydrophobicContact CD1-CD1 4.21Å; L130-Y139 HydrophobicContact CD1-CG 4.12Å; L130-Y139 HydrophobicContact CD2-CD2 4.24Å; L130-Y139 HydrophobicContact CD2-CG 4.15Å | ||
| 131 | L | 91 | Very high | 91.5 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | trans | -102.4 | -26.5 | -172.5 | -66.8 | 178.9 | 0 | 0 | 0 | 113.1 | H95 L96 K129 E135 | H95-L131 WeakPolarHBondContact CA-O 3.3Å; L96-L131 WeakPolarHBondContact CG-O 3.48Å; L96-L131 PolarHBondContact N-O 3.34Å; K129-L131 PolarHBondContact O-N 2.85Å; L131-E135 PolarHBondContact N-OE2 3.41Å | ||
| 132 | T | 92.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -111.8 | 153.1 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | T94 H95 H134 E135 I136 | T94-T132 WeakPolarHBondContact O-CA 3.31Å; H95-T132 HydrophobicContact CB-CG2 4.39Å; T132-H134 PolarHBondContact O-N 3.13Å; T132-E135 WeakPolarHBondContact CB-OE2 3.32Å; T132-E135 PolarHBondContact N-OE2 3.13Å; T132-E135 PolarHBondContact O-N 2.68Å; T132-E135 WeakPolarHBondContact OG1-CB 3.43Å; T132-E135 WeakPolarHBondContact OG1-CG 3.15Å; T132-E135 PolarHBondContact OG1-N 2.96Å; T132-E135 PolarHBondContact OG1-OE2 2.95Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.24Å; T132-I136 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | V74 I75 I78 V90 T94 I136 G137 | V74-V133 HydrophobicContact CG1-CG1 3.95Å; I75-V133 HydrophobicContact CG1-CG1 3.83Å; I78-V133 HydrophobicContact CD1-CB 4.44Å; I78-V133 HydrophobicContact CD1-CG1 4.17Å; I78-V133 HydrophobicContact CD1-CG2 3.84Å; V90-V133 HydrophobicContact CG1-CG2 3.74Å; T94-V133 PolarHBondContact O-N 2.82Å; V133-I136 PolarHBondContact O-N 2.83Å; V133-G137 PolarHBondContact O-N 3.01Å |
| 134 | H | 92.2 | Very high | 90.3 | Very high | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 177.6 | -178 | 68.8 | 0 | 0 | 0 | 112.6 | P92 T132 I136 G137 Q138 | P92-H134 HydrophobicContact CB-CB 4.21Å; P92-H134 WeakPolarHBondContact O-CB 3.46Å; P92-H134 PolarHBondContact O-N 3.38Å; T132-H134 PolarHBondContact O-N 3.13Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.4Å; H134-G137 PolarHBondContact O-N 2.96Å; H134-Q138 WeakPolarHBondContact O-CB 3.37Å; H134-Q138 PolarHBondContact O-N 2.78Å |
| 135 | E | 93.1 | Very high | 89.2 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.5 | -73.3 | 165.1 | 142 | 0 | 0 | 111.3 | L130 L131 T132 Q138 Y139 | L130-E135 HydrophobicContact CD2-CB 4.11Å; L131-E135 PolarHBondContact N-OE2 3.41Å; T132-E135 WeakPolarHBondContact CB-OE2 3.32Å; T132-E135 PolarHBondContact N-OE2 3.13Å; T132-E135 PolarHBondContact O-N 2.68Å; T132-E135 WeakPolarHBondContact OG1-CB 3.43Å; T132-E135 WeakPolarHBondContact OG1-CG 3.15Å; T132-E135 PolarHBondContact OG1-N 2.96Å; T132-E135 PolarHBondContact OG1-OE2 2.95Å; E135-Q138 PolarHBondContact O-N 3.23Å; E135-Y139 VanDerWaalsContact O-CB 3.31Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 3.15Å |
| 136 | I | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -52.4 | 176 | -69.4 | 169 | 0 | 0 | 0 | 110.7 | V74 L96 L114 L130 T132 V133 H134 Q138 Y139 I140 | V74-I136 HydrophobicContact CG1-CB 4.3Å; V74-I136 HydrophobicContact CG1-CG2 3.67Å; V74-I136 HydrophobicContact CG2-CG2 4.19Å; L96-I136 HydrophobicContact CD1-CD1 3.55Å; L96-I136 HydrophobicContact CG-CD1 4.42Å; L114-I136 HydrophobicContact CD1-CG2 3.5Å; L130-I136 HydrophobicContact CB-CD1 4.47Å; L130-I136 HydrophobicContact CB-CG1 3.73Å; L130-I136 HydrophobicContact CD1-CG1 4.35Å; L130-I136 HydrophobicContact CG-CG1 4.42Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.24Å; T132-I136 VanDerWaalsContact O-N 3.12Å; V133-I136 PolarHBondContact O-N 2.83Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.4Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 2.94Å; I136-Y139 PolarHBondContact O-N 3.06Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.47Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.31Å |
| 137 | G | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V133 H134 C141 | V133-G137 PolarHBondContact O-N 3.01Å; H134-G137 PolarHBondContact O-N 2.96Å; G137-C141 WeakPolarHBondContact O-CB 3.43Å; G137-C141 PolarHBondContact O-N 2.88Å; G137-C141 PolarHBondContact O-SG 3.47Å |
| 138 | Q | 91.8 | Very high | 84.4 | Confident | 95 Ų | 95 | 72 Ų | 72 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 176.7 | -172.7 | 178.6 | -39.4 | 0 | 0 | 112.2 | H134 E135 I136 C141 Q142 | H134-Q138 WeakPolarHBondContact O-CB 3.37Å; H134-Q138 PolarHBondContact O-N 2.78Å; E135-Q138 PolarHBondContact O-N 3.23Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 2.94Å; Q138-C141 PolarHBondContact O-N 3.31Å; Q138-Q142 WeakPolarHBondContact O-CG 3.31Å; Q138-Q142 PolarHBondContact O-N 3.12Å |
| 139 | Y | 92.5 | Very high | 84.2 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.4 | -172.1 | -87.8 | 0 | 0 | 0 | 111.2 | I122 D126 L130 E135 I136 C141 Q142 K143 | I122-Y139 HydrophobicContact CB-CE1 4.46Å; I122-Y139 HydrophobicContact CD1-CD1 4.15Å; I122-Y139 HydrophobicContact CD1-CE1 4.11Å; I122-Y139 HydrophobicContact CG1-CD1 4.46Å; I122-Y139 HydrophobicContact CG1-CE1 3.93Å; I122-Y139 HydrophobicContact CG2-CE1 4.01Å; D126-Y139 HydrophobicContact CB-CE2 4.02Å; D126-Y139 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y139 PolarHBondContact OD2-OH 3.09Å; L130-Y139 HydrophobicContact CD1-CD1 4.21Å; L130-Y139 HydrophobicContact CD1-CG 4.12Å; L130-Y139 HydrophobicContact CD2-CD2 4.24Å; L130-Y139 HydrophobicContact CD2-CG 4.15Å; E135-Y139 VanDerWaalsContact O-CB 3.31Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 3.15Å; I136-Y139 PolarHBondContact O-N 3.06Å; Y139-C141 VanDerWaalsContact C-N 3.33Å; Y139-C141 PolarHBondContact O-N 3.3Å; Y139-Q142 PolarHBondContact O-N 3.3Å; Y139-K143 HydrophobicContact CD1-CG 4.12Å; Y139-K143 HydrophobicContact CE1-CG 3.71Å; Y139-K143 PolarHBondContact O-N 3.39Å; Y139-K143 WeakPolarHBondContact OH-CE 3.43Å |
| 140 | I | 91 | Very high | 83.8 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.3 | -65.7 | 168 | 0 | 0 | 0 | 110.2 | V70 V74 L114 F118 L120 I136 Q142 K143 A144 | V70-I140 HydrophobicContact CG1-CB 3.83Å; V70-I140 HydrophobicContact CG1-CG2 3.57Å; V70-I140 HydrophobicContact CG2-CG2 4.24Å; V74-I140 HydrophobicContact CG2-CD1 3.62Å; L114-I140 HydrophobicContact CB-CD1 4.31Å; L114-I140 HydrophobicContact CD1-CD1 4.44Å; L114-I140 HydrophobicContact CD2-CD1 3.97Å; L114-I140 HydrophobicContact CG-CD1 4.49Å; F118-I140 HydrophobicContact CB-CG2 4.31Å; F118-I140 HydrophobicContact CD1-CG2 3.74Å; F118-I140 HydrophobicContact CD2-CD1 3.83Å; F118-I140 HydrophobicContact CD2-CG1 4.49Å; F118-I140 HydrophobicContact CD2-CG2 3.93Å; F118-I140 HydrophobicContact CE1-CG2 3.97Å; F118-I140 HydrophobicContact CE2-CD1 3.72Å; F118-I140 HydrophobicContact CE2-CG2 4.18Å; F118-I140 HydrophobicContact CG-CG2 3.72Å; F118-I140 HydrophobicContact CZ-CD1 4.45Å; F118-I140 HydrophobicContact CZ-CG2 4.18Å; L120-I140 HydrophobicContact CD2-CB 4.33Å; L120-I140 HydrophobicContact CD2-CG1 4.04Å; L120-I140 HydrophobicContact CD2-CG2 3.89Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.47Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.31Å; I140-Q142 VanDerWaalsContact C-N 3.27Å; I140-Q142 PolarHBondContact O-N 3.43Å; I140-K143 PolarHBondContact O-N 3.17Å; I140-A144 HydrophobicContact CG2-CB 4.34Å; I140-A144 WeakPolarHBondContact O-CB 3.18Å; I140-A144 PolarHBondContact O-N 2.7Å |
| 141 | C | 89.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -31.1 | 176.6 | -71.3 | 0 | 0 | 0 | 0 | 113.9 | G137 Q138 Y139 V146 | G137-C141 WeakPolarHBondContact O-CB 3.43Å; G137-C141 PolarHBondContact O-N 2.88Å; G137-C141 PolarHBondContact O-SG 3.47Å; Q138-C141 PolarHBondContact O-N 3.31Å; Y139-C141 VanDerWaalsContact C-N 3.33Å; Y139-C141 PolarHBondContact O-N 3.3Å; C141-V146 HydrophobicContact CB-CG2 4.29Å |
| 142 | Q | 88 | Confident | 82.9 | Confident | 144 Ų | 144 | 68.1 Ų | 68.1 | 67% | 0.673 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -79.1 | -30.6 | 177.3 | -73.5 | -178 | 6.4 | 0 | 0 | 113.1 | Q138 Y139 I140 | Q138-Q142 WeakPolarHBondContact O-CG 3.31Å; Q138-Q142 PolarHBondContact O-N 3.12Å; Y139-Q142 PolarHBondContact O-N 3.3Å; I140-Q142 VanDerWaalsContact C-N 3.27Å; I140-Q142 PolarHBondContact O-N 3.43Å |
| 143 | K | 85 | Confident | 82.3 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -95 | -40.9 | -175.4 | -71.4 | -70.2 | -169.7 | 168.9 | 0 | 113.4 | Y139 I140 | Y139-K143 HydrophobicContact CD1-CG 4.12Å; Y139-K143 HydrophobicContact CE1-CG 3.71Å; Y139-K143 PolarHBondContact O-N 3.39Å; Y139-K143 WeakPolarHBondContact OH-CE 3.43Å; I140-K143 PolarHBondContact O-N 3.17Å |
| 144 | A | 75 | Confident | 81.7 | Confident | 15 Ų | 15 | 75.3 Ų | 75.3 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 141.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | I140 V146 | I140-A144 HydrophobicContact CG2-CB 4.34Å; I140-A144 WeakPolarHBondContact O-CB 3.18Å; I140-A144 PolarHBondContact O-N 2.7Å; A144-V146 HydrophobicContact CB-CG2 3.87Å; A144-V146 PolarHBondContact O-N 3.36Å |
| 145 | N | 67.3 | Low | 80.9 | Confident | 162 Ų | 162 | 73.9 Ų | 73.9 | 87% | 0.866 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 67.7 | 171.9 | -96 | -20.9 | 0 | 0 | 0 | 110 | ||
| 146 | V | 65.8 | Low | 80 | Confident | 31 Ų | 31 | 73.2 Ų | 73.2 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | trans | -74.7 | 126 | 178.5 | 178 | 0 | 0 | 0 | 0 | 108 | W65 V70 C141 A144 | W65-V146 HydrophobicContact CB-CG2 4.17Å; W65-V146 WeakPolarHBondContact O-CA 3.37Å; W65-V146 VanDerWaalsContact O-CG1 3.28Å; W65-V146 WeakPolarHBondContact O-CG1 3.28Å; V70-V146 HydrophobicContact CG2-CG2 4.07Å; C141-V146 HydrophobicContact CB-CG2 4.29Å; A144-V146 HydrophobicContact CB-CG2 3.87Å; A144-V146 PolarHBondContact O-N 3.36Å | ||
| 147 | T | 57.7 | Low | 78.9 | Confident | 60 Ų | 60 | 79.3 Ų | 79.3 | 37% | 0.368 | 39% | 0.394 | S | S | . | . | trans | -83.3 | 125.1 | 171 | 39.2 | 0 | 0 | 0 | 0 | 108.6 | K64 W65 | K64-T147 HydrophobicContact CD-CG2 4.02Å; W65-T147 PolarHBondContact O-N 3.35Å | ||
| 148 | E | 51.8 | Low | 77.7 | Confident | 258 Ų | 258 | 86.5 Ų | 86.5 | 100% | 1.206 | 43% | 0.43 | S | S | * | . | trans | -60.2 | 0 | 169.8 | -71.7 | -172.4 | 113.4 | 0 | 0 | 112.5 |
Retrieved 148 of 148 residues in 328 ms
(Link to these results)