| 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 | 25.9 | Very low | 28.8 | Very low | 249 Ų | 249 | 100.5 Ų | 100.5 | 100% | 1.227 | 49% | 0.493 | S | S | * | . | 0 | 117.9 | 0 | -102.9 | 173.3 | 151.1 | 0 | 0 | 108.6 | |||||
| 2 | A | 22.9 | Very low | 29.1 | Very low | 63 Ų | 63 | 104.2 Ų | 104.2 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | trans | -86.5 | 113.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L4 A31 | A2-L4 PolarHBondContact O-N 3.1Å; A2-A31 HydrophobicContact CB-CB 3.24Å | ||
| 3 | S | 22.9 | Very low | 29.6 | Very low | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | trans | -77.7 | 116 | 174.6 | 60.9 | 0 | 0 | 0 | 0 | 110 | R5 | S3-R5 PolarHBondContact O-N 2.9Š| ||
| 4 | L | 25.4 | Very low | 29.7 | Very low | 89 Ų | 89 | 102.5 Ų | 102.5 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 122.2 | 165 | -90.9 | 146.8 | 0 | 0 | 0 | 108.9 | A2 F6 V27 | A2-L4 PolarHBondContact O-N 3.1Å; L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 3.9Å; L4-F6 HydrophobicContact CD2-CE1 4.41Å; L4-F6 HydrophobicContact CD2-CZ 4.32Å; L4-F6 HydrophobicContact CG-CZ 4.5Å; L4-V27 HydrophobicContact CD2-CG1 3.74Å |
| 5 | R | 27.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 98 Ų | 98 | 64% | 0.638 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117 | 172.3 | -71.6 | -174.7 | -176.7 | 171.5 | 0.5 | 108.6 | S3 S28 | S3-R5 PolarHBondContact O-N 2.9Å; R5-S28 PolarHBondContact N-O 2.93Å; R5-S28 PolarHBondContact O-N 3.04Å |
| 6 | F | 28.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 99.6 Ų | 99.6 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.6 | 177.7 | -53.8 | -87.5 | 0 | 0 | 0 | 109.3 | L4 V27 | L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 3.9Å; L4-F6 HydrophobicContact CD2-CE1 4.41Å; L4-F6 HydrophobicContact CD2-CZ 4.32Å; L4-F6 HydrophobicContact CG-CZ 4.5Å; F6-V27 HydrophobicContact CD1-CB 4.45Å; F6-V27 HydrophobicContact CD1-CG1 3.82Å; F6-V27 HydrophobicContact CD1-CG2 4.07Å; F6-V27 HydrophobicContact CE1-CG1 3.74Å; F6-V27 HydrophobicContact CE1-CG2 4.43Å |
| 7 | W | 30.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 101.2 Ų | 101.2 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 108.1 | 171.8 | -63.6 | 79.2 | 0 | 0 | 0 | 107.6 | T26 | W7-T26 PolarHBondContact N-O 3.09Å; W7-T26 PolarHBondContact O-N 3.12Å; W7-T26 VanDerWaalsContact O-O 3.13Å |
| 8 | I | 31.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 98.3 Ų | 98.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.1 | 175 | -63.4 | 167.4 | 0 | 0 | 0 | 106.7 | I23 V25 V149 | I8-I23 HydrophobicContact CG2-CG2 3.91Å; I8-V25 HydrophobicContact CG1-CG1 3.86Å; I8-V25 HydrophobicContact CG1-CG2 4.14Å; I8-V25 HydrophobicContact CG2-CG2 4.2Å; I8-V149 HydrophobicContact CD1-CG1 4.23Å |
| 9 | S | 32 | Very low | 30.1 | Very low | 11 Ų | 11 | 96.4 Ų | 96.4 | 8% | 0.077 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.4 | -179.4 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | V11 V24 S98 | S9-V11 PolarHBondContact O-N 3.38Å; S9-V24 CarbonylContact C-O 3.57Å; S9-V24 PolarHBondContact N-O 2.92Å; S9-V24 WeakPolarHBondContact O-CA 3.2Å; S9-V24 PolarHBondContact O-N 2.81Å; S9-S98 WeakPolarHBondContact CB-O 3.19Å; S9-S98 WeakPolarHBondContact OG-CA 3.34Å; S9-S98 PolarHBondContact OG-O 2.89Å |
| 10 | K | 34.9 | Very low | 30.4 | Very low | 101 Ų | 101 | 92.8 Ų | 92.8 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 106.3 | 175.4 | -174 | 173.7 | -179 | 178.8 | 0 | 108.3 | D21 I23 | K10-D21 WeakPolarHBondContact CE-OD2 3.19Å; K10-D21 IonicContact NZ-OD2 2.73Å; K10-D21 PolarHBondContact NZ-OD2 3.16Å; K10-I23 HydrophobicContact CB-CG1 4.47Å; K10-I23 HydrophobicContact CG-CG1 4.2Å |
| 11 | V | 35.1 | Very low | 30.7 | Very low | 7 Ų | 7 | 89.1 Ų | 89.1 | 4% | 0.042 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109 | 173 | -172.7 | 0 | 0 | 0 | 0 | 108 | S9 F13 I22 V24 L95 | S9-V11 PolarHBondContact O-N 3.38Å; V11-F13 HydrophobicContact CB-CD2 4.47Å; V11-F13 HydrophobicContact CB-CE2 3.94Å; V11-F13 HydrophobicContact CG1-CD2 3.98Å; V11-F13 HydrophobicContact CG1-CE1 4.47Å; V11-F13 HydrophobicContact CG1-CE2 3.44Å; V11-F13 VanDerWaalsContact CG1-CE2 3.44Å; V11-F13 HydrophobicContact CG1-CZ 3.73Å; V11-I22 CarbonylContact C-O 3.59Å; V11-I22 WeakPolarHBondContact CA-O 2.76Å; V11-I22 PolarHBondContact N-O 3.37Å; V11-I22 CarbonylContact O-C 3.6Å; V11-I22 PolarHBondContact O-N 3.14Å; V11-V24 HydrophobicContact CB-CG2 4.27Å; V11-V24 HydrophobicContact CG2-CB 4.32Å; V11-V24 HydrophobicContact CG2-CG2 3.72Å; V11-L95 HydrophobicContact CG2-CD2 4.3Å |
| 12 | K | 32.2 | Very low | 31.4 | Very low | 144 Ų | 144 | 77.5 Ų | 77.5 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121 | 173 | -61.1 | -158 | 171.4 | 175.2 | 0 | 109.1 | D21 | K12-D21 WeakPolarHBondContact CD-OD1 3.2Å; K12-D21 WeakPolarHBondContact CE-OD1 3.38Å; K12-D21 WeakPolarHBondContact CG-OD1 3.38Å |
| 13 | F | 35 | Very low | 32 | Very low | 17 Ų | 17 | 75.6 Ų | 75.6 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.2 | 170.8 | -74.3 | -86 | 0 | 0 | 0 | 109.4 | V11 C15 V20 I22 A88 A90 V111 | V11-F13 HydrophobicContact CB-CD2 4.47Å; V11-F13 HydrophobicContact CB-CE2 3.94Å; V11-F13 HydrophobicContact CG1-CD2 3.98Å; V11-F13 HydrophobicContact CG1-CE1 4.47Å; V11-F13 HydrophobicContact CG1-CE2 3.44Å; V11-F13 VanDerWaalsContact CG1-CE2 3.44Å; V11-F13 HydrophobicContact CG1-CZ 3.73Å; F13-C15 PolarHBondContact O-N 2.75Å; F13-V20 PolarHBondContact N-O 2.89Å; F13-V20 PolarHBondContact O-N 3.11Å; F13-I22 HydrophobicContact CD2-CB 3.94Å; F13-I22 HydrophobicContact CD2-CD1 3.54Å; F13-I22 HydrophobicContact CD2-CG1 3.81Å; F13-I22 HydrophobicContact CE2-CB 4.09Å; F13-I22 HydrophobicContact CE2-CD1 3.84Å; F13-I22 HydrophobicContact CE2-CG1 4.29Å; F13-I22 HydrophobicContact CG-CD1 4.39Å; F13-A88 HydrophobicContact CD1-CB 3.35Å; F13-A88 HydrophobicContact CE1-CB 3.35Å; F13-A88 HydrophobicContact CG-CB 4.37Å; F13-A88 HydrophobicContact CZ-CB 4.37Å; F13-A90 HydrophobicContact CE1-CB 4.13Å; F13-A90 HydrophobicContact CZ-CB 4.42Å; F13-V111 HydrophobicContact CZ-CB 4.25Å; F13-V111 HydrophobicContact CZ-CG2 4.04Å |
| 14 | H | 31.4 | Very low | 32.8 | Very low | 168 Ų | 168 | 72.6 Ų | 72.6 | 78% | 0.778 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 101.7 | 165.5 | -89 | -50.5 | 0 | 0 | 0 | 108.7 | ||
| 15 | C | 31.4 | Very low | 33.2 | Very low | 35 Ų | 35 | 69.9 Ų | 69.9 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 148.1 | 162.6 | -63.3 | 0 | 0 | 0 | 0 | 108.6 | F13 I17 S18 I56 | F13-C15 PolarHBondContact O-N 2.75Å; C15-I17 PolarHBondContact O-N 2.95Å; C15-S18 PolarHBondContact O-N 3.36Å; C15-I56 HydrophobicContact CB-CD1 4.19Å |
| 16 | S | 30.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 61.9 Ų | 61.9 | 86% | 0.86 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -10.2 | -176 | 44.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 17 | I | 29.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 57.2 Ų | 57.2 | 65% | 0.651 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -26.4 | -172.1 | -45.6 | 174.4 | 0 | 0 | 0 | 111.9 | C15 | C15-I17 PolarHBondContact O-N 2.95Š|
| 18 | S | 29 | Very low | 33.6 | Very low | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 142.7 | 174.3 | -172 | 0 | 0 | 0 | 0 | 110.7 | C15 V20 | C15-S18 PolarHBondContact O-N 3.36Å; S18-V20 PolarHBondContact O-N 2.69Å |
| 19 | P | 34.9 | Very low | 33.5 | Very low | 62 Ų | 62 | 49.4 Ų | 49.4 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.8 | 172.6 | 25.8 | -32 | 0 | 0 | 0 | 111.1 | ||
| 20 | V | 37.2 | Very low | 33.3 | Very low | 25 Ų | 25 | 53.7 Ų | 53.7 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.1 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | F13 S18 I22 V42 | F13-V20 PolarHBondContact N-O 2.89Å; F13-V20 PolarHBondContact O-N 3.11Å; S18-V20 PolarHBondContact O-N 2.69Å; V20-I22 HydrophobicContact CG1-CD1 4.35Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; V20-I22 PolarHBondContact O-N 3.15Å; V20-V42 HydrophobicContact CG1-CG1 4.3Å |
| 21 | D | 36.8 | Very low | 32.8 | Very low | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 109.3 | 173.9 | -83.8 | -13.7 | 0 | 0 | 0 | 109 | K10 K12 R43 | K10-D21 WeakPolarHBondContact CE-OD2 3.19Å; K10-D21 IonicContact NZ-OD2 2.73Å; K10-D21 PolarHBondContact NZ-OD2 3.16Å; K12-D21 WeakPolarHBondContact CD-OD1 3.2Å; K12-D21 WeakPolarHBondContact CE-OD1 3.38Å; K12-D21 WeakPolarHBondContact CG-OD1 3.38Å; D21-R43 WeakPolarHBondContact CB-O 3.39Å; D21-R43 CarbonylContact O-C 3.5Å; D21-R43 PolarHBondContact O-N 2.94Å; D21-R43 VanDerWaalsContact O-N 3.11Å |
| 22 | I | 40 | Very low | 32.5 | Very low | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.8 | 175.7 | -58.7 | -173.3 | 0 | 0 | 0 | 108.3 | V11 F13 V20 V24 V42 I113 | V11-I22 CarbonylContact C-O 3.59Å; V11-I22 WeakPolarHBondContact CA-O 2.76Å; V11-I22 PolarHBondContact N-O 3.37Å; V11-I22 CarbonylContact O-C 3.6Å; V11-I22 PolarHBondContact O-N 3.14Å; F13-I22 HydrophobicContact CD2-CB 3.94Å; F13-I22 HydrophobicContact CD2-CD1 3.54Å; F13-I22 HydrophobicContact CD2-CG1 3.81Å; F13-I22 HydrophobicContact CE2-CB 4.09Å; F13-I22 HydrophobicContact CE2-CD1 3.84Å; F13-I22 HydrophobicContact CE2-CG1 4.29Å; F13-I22 HydrophobicContact CG-CD1 4.39Å; V20-I22 HydrophobicContact CG1-CD1 4.35Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; V20-I22 PolarHBondContact O-N 3.15Å; I22-V24 HydrophobicContact CG2-CG2 4.24Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.28Å; I22-V42 HydrophobicContact CG2-CG2 4.22Å; I22-I113 HydrophobicContact CD1-CD1 3.19Å; I22-I113 HydrophobicContact CD1-CG1 4.3Å |
| 23 | I | 36.2 | Very low | 32.2 | Very low | 22 Ų | 22 | 54 Ų | 54 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.9 | 173 | -56.1 | 176.5 | 0 | 0 | 0 | 107.3 | I8 K10 V25 A41 R43 | I8-I23 HydrophobicContact CG2-CG2 3.91Å; K10-I23 HydrophobicContact CB-CG1 4.47Å; K10-I23 HydrophobicContact CG-CG1 4.2Å; I23-V25 HydrophobicContact CG2-CG2 4.09Å; I23-A41 CarbonylContact C-O 3.53Å; I23-A41 WeakPolarHBondContact CA-O 3.37Å; I23-A41 WeakPolarHBondContact CB-O 3.39Å; I23-A41 PolarHBondContact N-O 3.17Å; I23-A41 PolarHBondContact O-N 3.18Å; I23-R43 HydrophobicContact CD1-CB 3.93Å; I23-R43 HydrophobicContact CG1-CB 4.33Å |
| 24 | V | 39.9 | Very low | 32 | Very low | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.9 | 171.5 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | S9 V11 I22 F40 L99 | S9-V24 CarbonylContact C-O 3.57Å; S9-V24 PolarHBondContact N-O 2.92Å; S9-V24 WeakPolarHBondContact O-CA 3.2Å; S9-V24 PolarHBondContact O-N 2.81Å; V11-V24 HydrophobicContact CB-CG2 4.27Å; V11-V24 HydrophobicContact CG2-CB 4.32Å; V11-V24 HydrophobicContact CG2-CG2 3.72Å; I22-V24 HydrophobicContact CG2-CG2 4.24Å; V24-F40 HydrophobicContact CB-CD1 3.75Å; V24-F40 HydrophobicContact CB-CE1 3.8Å; V24-F40 HydrophobicContact CG1-CD1 3.51Å; V24-F40 HydrophobicContact CG1-CE1 3.11Å; V24-F40 HydrophobicContact CG1-CZ 4.02Å; V24-F40 HydrophobicContact CG2-CD1 3.64Å; V24-F40 HydrophobicContact CG2-CE1 3.68Å; V24-L99 HydrophobicContact CB-CD1 4.47Å; V24-L99 HydrophobicContact CG1-CD1 3.84Å; V24-L99 HydrophobicContact CG1-CD2 3.81Å; V24-L99 HydrophobicContact CG1-CG 4.34Å |
| 25 | V | 32.9 | Very low | 31.8 | Very low | 32 Ų | 32 | 59 Ų | 59 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.6 | 169.3 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | I8 I23 R39 | I8-V25 HydrophobicContact CG1-CG1 3.86Å; I8-V25 HydrophobicContact CG1-CG2 4.14Å; I8-V25 HydrophobicContact CG2-CG2 4.2Å; I23-V25 HydrophobicContact CG2-CG2 4.09Å; V25-R39 VanDerWaalsContact CB-O 3.27Å; V25-R39 WeakPolarHBondContact CB-O 3.35Å; V25-R39 PolarHBondContact N-O 3.32Å; V25-R39 PolarHBondContact O-N 3.41Å |
| 26 | T | 35.5 | Very low | 31.6 | Very low | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | W7 W38 L99 I101 | W7-T26 PolarHBondContact N-O 3.09Å; W7-T26 PolarHBondContact O-N 3.12Å; W7-T26 VanDerWaalsContact O-O 3.13Å; T26-W38 HydrophobicContact CG2-CD2 3.93Å; T26-W38 HydrophobicContact CG2-CE3 3.61Å; T26-W38 HydrophobicContact CG2-CH2 3.44Å; T26-W38 VanDerWaalsContact CG2-CH2 3.44Å; T26-W38 HydrophobicContact CG2-CZ2 3.81Å; T26-W38 HydrophobicContact CG2-CZ3 3.38Å; T26-W38 WeakPolarHBondContact OG1-CZ3 3.43Å; T26-L99 HydrophobicContact CG2-CD2 4.34Å; T26-L99 WeakPolarHBondContact OG1-CD2 3.24Å; T26-I101 HydrophobicContact CG2-CD1 4.31Å |
| 27 | V | 29.5 | Very low | 31.6 | Very low | 32 Ų | 32 | 55.4 Ų | 55.4 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.4 | 176.2 | -170.9 | 0 | 0 | 0 | 0 | 107.2 | L4 F6 | L4-V27 HydrophobicContact CD2-CG1 3.74Å; F6-V27 HydrophobicContact CD1-CB 4.45Å; F6-V27 HydrophobicContact CD1-CG1 3.82Å; F6-V27 HydrophobicContact CD1-CG2 4.07Å; F6-V27 HydrophobicContact CE1-CG1 3.74Å; F6-V27 HydrophobicContact CE1-CG2 4.43Å |
| 28 | S | 29.5 | Very low | 31.6 | Very low | 41 Ų | 41 | 50.8 Ų | 50.8 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125 | 172.8 | 165.2 | 0 | 0 | 0 | 0 | 109.2 | R5 | R5-S28 PolarHBondContact N-O 2.93Å; R5-S28 PolarHBondContact O-N 3.04Å |
| 29 | S | 28.6 | Very low | 31.6 | Very low | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.8 | 166.7 | 166.4 | 0 | 0 | 0 | 0 | 107.1 | A31 L32 | S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 2.89Å; S29-L32 PolarHBondContact O-N 3.11Å; S29-L32 VanDerWaalsContact O-N 3.11Å; S29-L32 PolarHBondContact OG-N 2.67Å |
| 30 | A | 28 | Very low | 31.4 | Very low | 102 Ų | 102 | 49.2 Ų | 49.2 | 84% | 0.843 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -9.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 31 | A | 25 | Very low | 31.1 | Very low | 66 Ų | 66 | 49.1 Ų | 49.1 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -2.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A2 S29 | A2-A31 HydrophobicContact CB-CB 3.24Å; S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 2.89Å |
| 32 | L | 28.6 | Very low | 30.9 | Very low | 110 Ų | 110 | 51.1 Ų | 51.1 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -101.9 | 110 | 170.4 | -63.7 | 169.6 | 0 | 0 | 0 | 106.5 | S29 | S29-L32 PolarHBondContact O-N 3.11Å; S29-L32 VanDerWaalsContact O-N 3.11Å; S29-L32 PolarHBondContact OG-N 2.67Å |
| 33 | S | 26.7 | Very low | 30.4 | Very low | 82 Ų | 82 | 56.9 Ų | 56.9 | 57% | 0.573 | 33% | 0.327 | S | S | * | . | trans | -3.3 | 147.6 | 149.7 | -170.6 | 0 | 0 | 0 | 0 | 115.5 | Y35 | S33-Y35 PolarHBondContact O-N 3.32Š| ||
| 34 | P | 29.7 | Very low | 30.3 | Very low | 107 Ų | 107 | 60.1 Ų | 60.1 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -54.8 | 14 | -173.3 | 17.7 | -31.3 | 0 | 0 | 0 | 119 | ||
| 35 | Y | 28.7 | Very low | 29.9 | Very low | 183 Ų | 183 | 60.9 Ų | 60.9 | 72% | 0.718 | 35% | 0.347 | S | S | * | . | trans | -125.8 | 31.7 | -167 | -60.9 | -81.9 | 0 | 0 | 0 | 114.2 | S33 | S33-Y35 PolarHBondContact O-N 3.32Š| ||
| 36 | A | 26.5 | Very low | 30.1 | Very low | 23 Ų | 23 | 65.2 Ų | 65.2 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 128.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W38 | A36-W38 PolarHBondContact O-N 3.25Å; A36-W38 VanDerWaalsContact O-N 3.14Å; A36-W38 PolarHBondContact O-NE1 2.91Å |
| 37 | P | 30 | Very low | 30.1 | Very low | 59 Ų | 59 | 69.2 Ų | 69.2 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 117.3 | 177.5 | 24 | -28.6 | 0 | 0 | 0 | 109.1 | L134 V155 | P37-L134 HydrophobicContact CB-CD1 4.2Å; P37-V155 HydrophobicContact CG-CB 4.4Å; P37-V155 HydrophobicContact CG-CG1 3.64Å; P37-V155 HydrophobicContact CG-CG2 3.82Å |
| 38 | W | 30.8 | Very low | 30.6 | Very low | 30 Ų | 30 | 72.5 Ų | 72.5 | 11% | 0.114 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 153.3 | 170.8 | -54.3 | 51.7 | 0 | 0 | 0 | 107 | T26 A36 F40 L99 I101 L102 L125 L134 | T26-W38 HydrophobicContact CG2-CD2 3.93Å; T26-W38 HydrophobicContact CG2-CE3 3.61Å; T26-W38 HydrophobicContact CG2-CH2 3.44Å; T26-W38 VanDerWaalsContact CG2-CH2 3.44Å; T26-W38 HydrophobicContact CG2-CZ2 3.81Å; T26-W38 HydrophobicContact CG2-CZ3 3.38Å; T26-W38 WeakPolarHBondContact OG1-CZ3 3.43Å; A36-W38 PolarHBondContact O-N 3.25Å; A36-W38 VanDerWaalsContact O-N 3.14Å; A36-W38 PolarHBondContact O-NE1 2.91Å; W38-F40 HydrophobicContact CB-CD2 4.35Å; W38-F40 HydrophobicContact CB-CE2 3.55Å; W38-F40 HydrophobicContact CB-CZ 4.01Å; W38-F40 AromaticContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CG-CE2 4.48Å; W38-L99 HydrophobicContact CZ3-CD2 3.96Å; W38-I101 HydrophobicContact CH2-CG2 4.39Å; W38-I101 HydrophobicContact CZ2-CG2 4.39Å; W38-L102 HydrophobicContact CH2-CD1 4.13Å; W38-L102 HydrophobicContact CH2-CD2 3.5Å; W38-L102 VanDerWaalsContact CH2-CD2 3.5Å; W38-L102 HydrophobicContact CH2-CG 3.6Å; W38-L102 HydrophobicContact CZ2-CD2 4.14Å; W38-L102 HydrophobicContact CZ3-CD1 3.95Å; W38-L102 HydrophobicContact CZ3-CD2 4.11Å; W38-L102 HydrophobicContact CZ3-CG 3.94Å; W38-L125 HydrophobicContact CE3-CD1 4.04Å; W38-L125 HydrophobicContact CZ3-CD1 4.1Å; W38-L134 VanDerWaalsContact C-CD2 3.49Å; W38-L134 HydrophobicContact CB-CD1 3.77Å; W38-L134 HydrophobicContact CB-CD2 4.13Å; W38-L134 HydrophobicContact CB-CG 4.42Å; W38-L134 HydrophobicContact CG-CD1 4.4Å; W38-L134 WeakPolarHBondContact O-CD1 3.37Å; W38-L134 WeakPolarHBondContact O-CD2 3.46Å; W38-L134 WeakPolarHBondContact O-CG 3.48Å |
| 39 | R | 28.5 | Very low | 30.9 | Very low | 71 Ų | 71 | 81.2 Ų | 81.2 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 116.3 | 173.9 | -78.3 | -176.1 | 167.1 | 145.4 | -8.2 | 107.7 | V25 L153 T154 V155 | V25-R39 VanDerWaalsContact CB-O 3.27Å; V25-R39 WeakPolarHBondContact CB-O 3.35Å; V25-R39 PolarHBondContact N-O 3.32Å; V25-R39 PolarHBondContact O-N 3.41Å; R39-L153 PolarHBondContact NH1-O 3.1Å; R39-L153 PolarHBondContact NH2-O 2.77Å; R39-T154 VanDerWaalsContact NH2-C 3.34Å; R39-T154 PolarHBondContact NH2-O 2.91Å; R39-V155 VanDerWaalsContact CZ-CG2 3.43Å |
| 40 | F | 31.8 | Very low | 31.4 | Very low | 7 Ų | 7 | 85.6 Ų | 85.6 | 3% | 0.031 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.6 | -178.9 | -58.2 | -101.2 | 0 | 0 | 0 | 109.6 | V24 W38 V123 L125 L134 V136 | V24-F40 HydrophobicContact CB-CD1 3.75Å; V24-F40 HydrophobicContact CB-CE1 3.8Å; V24-F40 HydrophobicContact CG1-CD1 3.51Å; V24-F40 HydrophobicContact CG1-CE1 3.11Å; V24-F40 HydrophobicContact CG1-CZ 4.02Å; V24-F40 HydrophobicContact CG2-CD1 3.64Å; V24-F40 HydrophobicContact CG2-CE1 3.68Å; W38-F40 HydrophobicContact CB-CD2 4.35Å; W38-F40 HydrophobicContact CB-CE2 3.55Å; W38-F40 HydrophobicContact CB-CZ 4.01Å; W38-F40 AromaticContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CG-CE2 4.48Å; F40-V123 HydrophobicContact CB-CG2 4.26Å; F40-V123 HydrophobicContact CD1-CG1 4.33Å; F40-V123 HydrophobicContact CD2-CB 4.13Å; F40-V123 HydrophobicContact CD2-CG1 4.32Å; F40-V123 HydrophobicContact CE1-CG1 4.27Å; F40-V123 HydrophobicContact CE2-CB 4.44Å; F40-V123 HydrophobicContact CE2-CG1 4.31Å; F40-V123 HydrophobicContact CG-CB 4.35Å; F40-V123 HydrophobicContact CG-CG1 4.36Å; F40-V123 HydrophobicContact CG-CG2 4.34Å; F40-V123 HydrophobicContact CZ-CG1 4.32Å; F40-L125 HydrophobicContact CE1-CD1 4.44Å; F40-L125 HydrophobicContact CZ-CD1 3.78Å; F40-L125 HydrophobicContact CZ-CG 4.24Å; F40-L134 HydrophobicContact CD2-CD2 3.43Å; F40-L134 VanDerWaalsContact CD2-CD2 3.43Å; F40-L134 HydrophobicContact CE2-CB 4.24Å; F40-L134 HydrophobicContact CE2-CD2 3.57Å; F40-L134 HydrophobicContact CE2-CG 4.41Å; F40-V136 HydrophobicContact CB-CG2 4.09Å; F40-V136 HydrophobicContact CD2-CG2 4.26Å; F40-V136 WeakPolarHBondContact O-CG1 3.25Å |
| 41 | A | 29.6 | Very low | 31.5 | Very low | 23 Ų | 23 | 90.1 Ų | 90.1 | 19% | 0.19 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I23 W146 | I23-A41 CarbonylContact C-O 3.53Å; I23-A41 WeakPolarHBondContact CA-O 3.37Å; I23-A41 WeakPolarHBondContact CB-O 3.39Å; I23-A41 PolarHBondContact N-O 3.17Å; I23-A41 PolarHBondContact O-N 3.18Å; A41-W146 HydrophobicContact CB-CH2 3.42Å; A41-W146 VanDerWaalsContact CB-CH2 3.42Å; A41-W146 HydrophobicContact CB-CZ2 4.01Å; A41-W146 HydrophobicContact CB-CZ3 4.42Å |
| 42 | V | 32.1 | Very low | 31.6 | Very low | 57 Ų | 57 | 95.3 Ų | 95.3 | 35% | 0.345 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.6 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | V20 I22 L121 | V20-V42 HydrophobicContact CG1-CG1 4.3Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.28Å; I22-V42 HydrophobicContact CG2-CG2 4.22Å; V42-L121 HydrophobicContact CB-CD2 4.22Å; V42-L121 HydrophobicContact CG2-CD2 3.23Å |
| 43 | R | 30.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 94.3 Ų | 94.3 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.9 | -179.9 | -162.7 | 177.8 | 178 | 172.5 | 0.8 | 109.5 | D21 I23 | D21-R43 WeakPolarHBondContact CB-O 3.39Å; D21-R43 CarbonylContact O-C 3.5Å; D21-R43 PolarHBondContact O-N 2.94Å; D21-R43 VanDerWaalsContact O-N 3.11Å; I23-R43 HydrophobicContact CD1-CB 3.93Å; I23-R43 HydrophobicContact CG1-CB 4.33Å |
| 44 | H | 33.5 | Very low | 31.4 | Very low | 89 Ų | 89 | 93 Ų | 93 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -67 | 144.9 | 166.5 | -74 | -77.2 | 0 | 0 | 0 | 110.2 | ||
| 45 | P | 31.6 | Very low | 31.1 | Very low | 26 Ų | 26 | 94 Ų | 94 | 17% | 0.169 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 142 | 175.6 | 23.1 | -31.2 | 0 | 0 | 0 | 110.3 | G47 Q48 | P45-G47 PolarHBondContact O-N 3.28Å; P45-Q48 HydrophobicContact CG-CB 4.21Å; P45-Q48 HydrophobicContact CG-CG 4.17Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-Q48 VanDerWaalsContact O-N 3.11Å |
| 46 | P | 36.3 | Very low | 31 | Very low | 123 Ų | 123 | 88.3 Ų | 88.3 | 80% | 0.799 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 131 | -176.7 | 21.8 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 47 | G | 36.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 93 Ų | 93 | 89% | 0.887 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -12.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P45 | P45-G47 PolarHBondContact O-N 3.28Š|
| 48 | Q | 39 | Very low | 30.3 | Very low | 100 Ų | 100 | 94.9 Ų | 94.9 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | trans | -98.4 | 110.3 | 174.8 | -67.5 | -170.2 | -3.9 | 0 | 0 | 110.9 | P45 | P45-Q48 HydrophobicContact CG-CB 4.21Å; P45-Q48 HydrophobicContact CG-CG 4.17Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-Q48 VanDerWaalsContact O-N 3.11Å | ||
| 49 | R | 36.2 | Very low | 29.8 | Very low | 224 Ų | 224 | 97.8 Ų | 97.8 | 85% | 0.845 | 55% | 0.548 | S | S | * | . | trans | -62.6 | 148.9 | 159.9 | -75.7 | -176.7 | 176.8 | 177.1 | -0.2 | 108.4 | K51 | R49-K51 PolarHBondContact O-N 3.11Š| ||
| 50 | P | 39.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 101.9 Ų | 101.9 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | trans | -62.7 | 88.5 | 175 | 26.2 | -32.7 | 0 | 0 | 0 | 109.1 | Q52 | P50-Q52 PolarHBondContact O-N 3.43Å; P50-Q52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | K | 30.1 | Very low | 29.1 | Very low | 196 Ų | 196 | 109.8 Ų | 109.8 | 85% | 0.852 | 61% | 0.613 | S | S | * | * | trans | -76.3 | 101.1 | 169.4 | -79.1 | -170.9 | 176.4 | -176.1 | 0 | 105.7 | R49 | R49-K51 PolarHBondContact O-N 3.11Š| ||
| 52 | Q | 26.7 | Very low | 28.8 | Very low | 175 Ų | 175 | 116.1 Ų | 116.1 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 47 | 100.2 | 158.5 | -67.9 | 175.4 | -26.5 | 0 | 0 | 115.3 | P50 | P50-Q52 PolarHBondContact O-N 3.43Å; P50-Q52 VanDerWaalsContact O-N 3.15Å |
| 53 | S | 24.4 | Very low | 28.4 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | trans | 37.2 | 102.5 | 140.8 | 49.8 | 0 | 0 | 0 | 0 | 116.6 | L55 | S53-L55 PolarHBondContact O-N 3.38Å; S53-L55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | C | 26.5 | Very low | 28.2 | Very low | 53 Ų | 53 | 120.8 Ų | 120.8 | 36% | 0.358 | 67% | 0.67 | S | S | . | * | trans | -53.1 | 124.1 | 155.5 | -79.1 | 0 | 0 | 0 | 0 | 108.5 | F86 | C54-F86 HydrophobicContact CB-CD1 4.07Å; C54-F86 HydrophobicContact CB-CE1 3.3Å; C54-F86 HydrophobicContact CB-CZ 3.61Å; C54-F86 WeakPolarHBondContact O-CE1 3.27Å; C54-F86 WeakPolarHBondContact O-CZ 3.33Å | ||
| 55 | L | 23.8 | Very low | 27.6 | Very low | 128 Ų | 128 | 120 Ų | 120 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | trans | -104.3 | 111.1 | 164.2 | -174.6 | 94.1 | 0 | 0 | 0 | 104.9 | S53 | S53-L55 PolarHBondContact O-N 3.38Å; S53-L55 VanDerWaalsContact O-N 3.12Å | ||
| 56 | I | 25.8 | Very low | 27.3 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 33% | 0.333 | 71% | 0.711 | S | S | . | * | trans | -139.2 | 134.5 | 168.3 | -49.4 | -178.9 | 0 | 0 | 0 | 109.2 | C15 F86 | C15-I56 HydrophobicContact CB-CD1 4.19Å; I56-F86 HydrophobicContact CB-CD1 3.67Å; I56-F86 HydrophobicContact CB-CE1 4.02Å; I56-F86 HydrophobicContact CD1-CD1 3.95Å; I56-F86 HydrophobicContact CG1-CD1 3.77Å; I56-F86 HydrophobicContact CG1-CE1 4Å | ||
| 57 | V | 21.2 | Very low | 26.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -74.9 | 143 | -162.5 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | A | 20.8 | Very low | 26.2 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -66 | 128.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | A | 20.8 | Very low | 25.7 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -128.1 | 120 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 60 | D | 22.2 | Very low | 25.2 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | 69 | 108.7 | 170.9 | -106.9 | -17.4 | 0 | 0 | 0 | 121.5 | ||||
| 61 | Q | 23.5 | Very low | 24.6 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -72.5 | 114.6 | 160.6 | -62.4 | 171.4 | -21.1 | 0 | 0 | 107.5 | ||||
| 62 | H | 23 | Very low | 24.7 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | -162.2 | 118.2 | 144.9 | -90.2 | -60.3 | 0 | 0 | 0 | 108.1 | ||||
| 63 | H | 24.7 | Very low | 24.7 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 68% | 0.676 | 68% | 0.678 | S | S | * | * | trans | 68.8 | 59.2 | 171.6 | -53.4 | -59.5 | 0 | 0 | 0 | 117.9 | A65 | H63-A65 PolarHBondContact O-N 3.33Å; H63-A65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | V | 25.5 | Very low | 24.7 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | -80.8 | 67 | 146 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 65 | A | 21.8 | Very low | 24.7 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | -163.3 | 72.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | H63 | H63-A65 PolarHBondContact O-N 3.33Å; H63-A65 VanDerWaalsContact O-N 3.16Å | ||
| 66 | D | 24.9 | Very low | 24.9 | Very low | 155 Ų | 155 | 113.1 Ų | 113.1 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | -122.1 | 83.7 | 153.4 | -121.3 | -8.5 | 0 | 0 | 0 | 105.8 | D68 | D66-D68 PolarHBondContact O-N 3.4Å; D66-D68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | S | 23.1 | Very low | 24.9 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 91.2 | 172 | 55 | 0 | 0 | 0 | 0 | 108.7 | ||
| 68 | D | 26.8 | Very low | 25.2 | Very low | 173 Ų | 173 | 120.9 Ų | 120.9 | 93% | 0.925 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 4 | 151 | -93.4 | -21.8 | 0 | 0 | 0 | 112 | D66 | D66-D68 PolarHBondContact O-N 3.4Å; D66-D68 VanDerWaalsContact O-N 3.1Å |
| 69 | S | 29 | Very low | 25.8 | Very low | 78 Ų | 78 | 119 Ų | 119 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | trans | -126.8 | 106.9 | 170.4 | 67.9 | 0 | 0 | 0 | 0 | 108.3 | W71 | S69-W71 PolarHBondContact O-N 2.85Š| ||
| 70 | G | 25.2 | Very low | 26.4 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -65 | 40.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 71 | W | 27.3 | Very low | 27.2 | Very low | 169 Ų | 169 | 125 Ų | 125 | 64% | 0.64 | 69% | 0.688 | S | S | * | * | trans | -93.7 | 148 | -178.8 | -84.3 | 73.3 | 0 | 0 | 0 | 110.5 | S69 L73 | S69-W71 PolarHBondContact O-N 2.85Å; W71-L73 PolarHBondContact O-N 2.76Å | ||
| 72 | P | 30.9 | Very low | 27.9 | Very low | 39 Ų | 39 | 124.4 Ų | 124.4 | 25% | 0.253 | 69% | 0.689 | S | S | . | * | S | Bend | -98.1 | 84.7 | -108.5 | 32.4 | -34 | 0 | 0 | 0 | 110.5 | A75 I76 Q135 | P72-A75 HydrophobicContact CB-CB 3.89Å; P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.47Å; P72-Q135 VanDerWaalsContact CG-OE1 3.31Å | |
| 73 | L | 26.9 | Very low | 28.8 | Very low | 134 Ų | 134 | 119 Ų | 119 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -73.8 | -22.8 | 142.8 | -76.1 | 162.7 | 0 | 0 | 0 | 110.5 | W71 I76 | W71-L73 PolarHBondContact O-N 2.76Å; L73-I76 HydrophobicContact CD2-CD1 4.18Å; L73-I76 PolarHBondContact O-N 3.07Å |
| 74 | A | 25.2 | Very low | 29.7 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 79% | 0.793 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -23.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I76 | A74-I76 VanDerWaalsContact C-N 3.29Š|
| 75 | A | 25.6 | Very low | 30.5 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -2.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P72 R77 | P72-A75 HydrophobicContact CB-CB 3.89Å; A75-R77 PolarHBondContact O-N 2.75Å; A75-R77 VanDerWaalsContact O-N 3.16Å |
| 76 | I | 27.8 | Very low | 31.6 | Very low | 53 Ų | 53 | 112.1 Ų | 112.1 | 27% | 0.272 | 62% | 0.615 | S | S | . | * | trans | -87.5 | 88.2 | -178.2 | -53.1 | -176.1 | 0 | 0 | 0 | 107.2 | P72 L73 A74 L79 | P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.47Å; L73-I76 HydrophobicContact CD2-CD1 4.18Å; L73-I76 PolarHBondContact O-N 3.07Å; A74-I76 VanDerWaalsContact C-N 3.29Å; I76-L79 HydrophobicContact CD1-CD1 4.41Å; I76-L79 HydrophobicContact CG2-CB 4.23Å; I76-L79 HydrophobicContact CG2-CD1 3.19Å; I76-L79 HydrophobicContact CG2-CD2 4.22Å; I76-L79 HydrophobicContact CG2-CG 3.23Å | ||
| 77 | R | 25.6 | Very low | 32.6 | Very low | 225 Ų | 225 | 110.7 Ų | 110.7 | 85% | 0.849 | 60% | 0.598 | S | S | * | * | trans | -42 | 137.6 | 156.2 | -75.2 | -174.8 | -178.3 | -176.5 | 0.7 | 107.3 | A75 L79 | A75-R77 PolarHBondContact O-N 2.75Å; A75-R77 VanDerWaalsContact O-N 3.16Å; R77-L79 PolarHBondContact O-N 3.31Å | ||
| 78 | P | 28.1 | Very low | 33.5 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 81% | 0.805 | 57% | 0.57 | S | S | * | * | trans | -52.2 | 105.9 | -163.5 | 22.1 | -32.6 | 0 | 0 | 0 | 108.9 | Q80 | P78-Q80 PolarHBondContact O-N 2.73Å; P78-Q80 VanDerWaalsContact O-N 3.1Å | ||
| 79 | L | 33.2 | Very low | 34 | Very low | 60 Ų | 60 | 102.4 Ų | 102.4 | 31% | 0.314 | 55% | 0.545 | S | S | . | . | trans | -63.3 | 121.3 | 177.2 | -71 | 159.8 | 0 | 0 | 0 | 105.1 | I76 R77 K81 P83 V116 | I76-L79 HydrophobicContact CD1-CD1 4.41Å; I76-L79 HydrophobicContact CG2-CB 4.23Å; I76-L79 HydrophobicContact CG2-CD1 3.19Å; I76-L79 HydrophobicContact CG2-CD2 4.22Å; I76-L79 HydrophobicContact CG2-CG 3.23Å; R77-L79 PolarHBondContact O-N 3.31Å; L79-K81 WeakPolarHBondContact CB-O 3.15Å; L79-K81 PolarHBondContact O-N 2.98Å; L79-P83 HydrophobicContact CD1-CG 4.48Å; L79-V116 HydrophobicContact CD1-CB 4.35Å; L79-V116 HydrophobicContact CD1-CG1 3.44Å; L79-V116 VanDerWaalsContact CD1-CG1 3.44Å; L79-V116 HydrophobicContact CD1-CG2 4.36Å; L79-V116 HydrophobicContact CD2-CG1 3.47Å; L79-V116 VanDerWaalsContact CD2-CG1 3.47Å; L79-V116 HydrophobicContact CG-CG1 4.03Å | ||
| 80 | Q | 34 | Very low | 34.4 | Very low | 201 Ų | 201 | 99.3 Ų | 99.3 | 94% | 0.939 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -59.1 | -11.7 | 173.4 | -70.6 | -177.7 | -22.6 | 0 | 0 | 112.2 | P78 | P78-Q80 PolarHBondContact O-N 2.73Å; P78-Q80 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 38.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 98.5 Ų | 98.5 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -135.8 | 130.7 | 174.7 | -67.4 | -179.3 | -179.2 | 173.9 | 0 | 110.5 | L79 | L79-K81 WeakPolarHBondContact CB-O 3.15Å; L79-K81 PolarHBondContact O-N 2.98Å |
| 82 | L | 39.7 | Very low | 35.3 | Very low | 163 Ų | 163 | 92.3 Ų | 92.3 | 85% | 0.853 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 138.1 | 176.7 | -77.3 | 160 | 0 | 0 | 0 | 111.4 | ||
| 83 | P | 40.8 | Very low | 35.5 | Very low | 42 Ų | 42 | 97.5 Ų | 97.5 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 141.5 | 177.6 | 24.9 | -31.1 | 0 | 0 | 0 | 111.6 | L79 I114 Y115 V116 | L79-P83 HydrophobicContact CD1-CG 4.48Å; P83-I114 HydrophobicContact CB-CG2 4.02Å; P83-Y115 CarbonylContact C-O 3.24Å; P83-Y115 VanDerWaalsContact CA-O 3.24Å; P83-Y115 WeakPolarHBondContact CA-O 3.04Å; P83-Y115 WeakPolarHBondContact CB-O 2.86Å; P83-V116 HydrophobicContact CB-CG2 3.88Å |
| 84 | K | 44.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 93.1 Ų | 93.1 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.7 | 175.5 | -65.9 | -179.6 | 178.2 | -179.5 | 0 | 109.3 | F86 I114 Y115 | K84-F86 HydrophobicContact CB-CE2 4.06Å; K84-F86 HydrophobicContact CB-CZ 4.11Å; K84-I114 CarbonylContact O-C 3.49Å; K84-I114 WeakPolarHBondContact O-CA 3.27Å; K84-Y115 PolarHBondContact N-O 3.14Å; K84-Y115 PolarHBondContact O-N 3.46Å |
| 85 | I | 42.4 | Very low | 36.1 | Very low | 90 Ų | 90 | 88.8 Ų | 88.8 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.5 | -176.3 | -54.8 | 178 | 0 | 0 | 0 | 109.2 | Y112 I113 I114 | I85-Y112 HydrophobicContact CG2-CD1 4.33Å; I85-I113 CarbonylContact C-O 3.46Å; I85-I114 HydrophobicContact CG1-CG1 4.14Å; I85-I114 HydrophobicContact CG1-CG2 4.09Å; I85-I114 HydrophobicContact CG2-CG1 4.13Å |
| 86 | F | 44.1 | Very low | 36.5 | Very low | 27 Ų | 27 | 89.3 Ų | 89.3 | 12% | 0.118 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.4 | 177.1 | -53 | -87.5 | 0 | 0 | 0 | 109.1 | C54 I56 K84 Y112 I113 | C54-F86 HydrophobicContact CB-CD1 4.07Å; C54-F86 HydrophobicContact CB-CE1 3.3Å; C54-F86 HydrophobicContact CB-CZ 3.61Å; C54-F86 WeakPolarHBondContact O-CE1 3.27Å; C54-F86 WeakPolarHBondContact O-CZ 3.33Å; I56-F86 HydrophobicContact CB-CD1 3.67Å; I56-F86 HydrophobicContact CB-CE1 4.02Å; I56-F86 HydrophobicContact CD1-CD1 3.95Å; I56-F86 HydrophobicContact CG1-CD1 3.77Å; I56-F86 HydrophobicContact CG1-CE1 4Å; K84-F86 HydrophobicContact CB-CE2 4.06Å; K84-F86 HydrophobicContact CB-CZ 4.11Å; F86-Y112 CarbonylContact O-C 3.59Å; F86-Y112 VanDerWaalsContact O-CA 3.27Å; F86-Y112 WeakPolarHBondContact O-CA 3.42Å; F86-I113 HydrophobicContact CB-CB 4.26Å; F86-I113 HydrophobicContact CD2-CB 4.46Å; F86-I113 WeakPolarHBondContact CD2-O 3.33Å; F86-I113 PolarHBondContact N-O 2.78Å; F86-I113 PolarHBondContact O-N 2.92Å |
| 87 | R | 45.9 | Very low | 36.8 | Very low | 124 Ų | 124 | 94.8 Ų | 94.8 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.7 | 170.1 | -178.8 | 179.1 | 171.4 | -179.2 | -0.9 | 109.3 | E89 S110 V111 Y112 | R87-E89 IonicContact CZ-OE1 3.46Å; R87-E89 IonicContact NE-OE1 3.67Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 2.97Å; R87-S110 PolarHBondContact NE-OG 2.97Å; R87-S110 PolarHBondContact NH2-OG 2.83Å; R87-V111 WeakPolarHBondContact CA-O 3.22Å; R87-Y112 HydrophobicContact CB-CD1 4.24Å; R87-Y112 HydrophobicContact CB-CE1 4.26Å; R87-Y112 HydrophobicContact CG-CD1 4.41Å; R87-Y112 HydrophobicContact CG-CE1 4.11Å |
| 88 | A | 41.1 | Very low | 37 | Very low | 21 Ų | 21 | 84.8 Ų | 84.8 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | F13 V111 | F13-A88 HydrophobicContact CD1-CB 3.35Å; F13-A88 HydrophobicContact CE1-CB 3.35Å; F13-A88 HydrophobicContact CG-CB 4.37Å; F13-A88 HydrophobicContact CZ-CB 4.37Å; A88-V111 PolarHBondContact N-O 2.78Å; A88-V111 PolarHBondContact O-N 2.97Å |
| 89 | E | 37.4 | Very low | 37.5 | Very low | 86 Ų | 86 | 79 Ų | 79 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.2 | 171.2 | -63 | -165.8 | 165.8 | 0 | 0 | 108.1 | R87 R108 | R87-E89 IonicContact CZ-OE1 3.46Å; R87-E89 IonicContact NE-OE1 3.67Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 2.97Å; E89-R108 WeakPolarHBondContact OE2-CD 3.38Å; E89-R108 IonicContact OE2-CZ 3.79Å; E89-R108 IonicContact OE2-NE 3.95Å; E89-R108 IonicContact OE2-NH1 2.92Å; E89-R108 PolarHBondContact OE2-NH1 3.49Å |
| 90 | A | 38.6 | Very low | 37.6 | Very low | 12 Ų | 12 | 78.5 Ų | 78.5 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F13 L95 | F13-A90 HydrophobicContact CE1-CB 4.13Å; F13-A90 HydrophobicContact CZ-CB 4.42Å; A90-L95 HydrophobicContact CB-CD1 3.61Å; A90-L95 HydrophobicContact CB-CD2 4.17Å; A90-L95 HydrophobicContact CB-CG 3.68Å |
| 91 | S | 33.4 | Very low | 37.7 | Very low | 65 Ų | 65 | 72.8 Ų | 72.8 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -62 | 143.2 | 177.7 | 98.8 | 0 | 0 | 0 | 0 | 109.4 | M93 A94 L95 | S91-M93 PolarHBondContact O-N 2.89Å; S91-M93 VanDerWaalsContact O-N 3.1Å; S91-M93 PolarHBondContact OG-N 2.93Å; S91-A94 PolarHBondContact O-N 3.39Å; S91-A94 PolarHBondContact OG-N 2.98Å; S91-L95 PolarHBondContact O-N 2.87Å; S91-L95 VanDerWaalsContact O-N 3.16Å |
| 92 | P | 37.4 | Very low | 37.8 | Very low | 39 Ų | 39 | 65.5 Ų | 65.5 | 25% | 0.253 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.3 | -33.2 | 179.4 | -25.3 | 33.1 | 0 | 0 | 0 | 112.7 | H96 | P92-H96 VanDerWaalsContact O-CB 3.25Å; P92-H96 WeakPolarHBondContact O-CB 3.43Å; P92-H96 PolarHBondContact O-N 2.76Å |
| 93 | M | 35 | Very low | 37.5 | Very low | 147 Ų | 147 | 59.4 Ų | 59.4 | 72% | 0.724 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.2 | -44.3 | 175.6 | -89.8 | -178.5 | 66.9 | 0 | 0 | 113 | S91 L95 H96 Q97 | S91-M93 PolarHBondContact O-N 2.89Å; S91-M93 VanDerWaalsContact O-N 3.1Å; S91-M93 PolarHBondContact OG-N 2.93Å; M93-L95 VanDerWaalsContact C-N 3.25Å; M93-L95 PolarHBondContact O-N 2.82Å; M93-H96 PolarHBondContact O-N 3.34Å; M93-Q97 PolarHBondContact O-N 2.91Å |
| 94 | A | 32.1 | Very low | 37.3 | Very low | 43 Ų | 43 | 59.6 Ų | 59.6 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S91 S98 | S91-A94 PolarHBondContact O-N 3.39Å; S91-A94 PolarHBondContact OG-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.22Å |
| 95 | L | 33.6 | Very low | 37 | Very low | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.3 | -29.4 | 174.8 | -70.6 | 167.4 | 0 | 0 | 0 | 112.6 | V11 A90 S91 M93 Q97 S98 L99 I109 | V11-L95 HydrophobicContact CG2-CD2 4.3Å; A90-L95 HydrophobicContact CB-CD1 3.61Å; A90-L95 HydrophobicContact CB-CD2 4.17Å; A90-L95 HydrophobicContact CB-CG 3.68Å; S91-L95 PolarHBondContact O-N 2.87Å; S91-L95 VanDerWaalsContact O-N 3.16Å; M93-L95 VanDerWaalsContact C-N 3.25Å; M93-L95 PolarHBondContact O-N 2.82Å; L95-Q97 PolarHBondContact O-N 2.8Å; L95-S98 CarbonylContact O-C 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 VanDerWaalsContact O-N 3.07Å; L95-L99 HydrophobicContact CD2-CD1 3.72Å; L95-L99 CarbonylContact O-C 3.46Å; L95-L99 VanDerWaalsContact O-CA 3.28Å; L95-L99 WeakPolarHBondContact O-CA 3.21Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.83Å; L95-I109 HydrophobicContact CB-CD1 4.22Å; L95-I109 HydrophobicContact CD1-CB 3.44Å; L95-I109 VanDerWaalsContact CD1-CB 3.44Å; L95-I109 HydrophobicContact CD1-CD1 3.54Å; L95-I109 HydrophobicContact CD1-CG1 4.05Å; L95-I109 HydrophobicContact CD1-CG2 3.79Å |
| 96 | H | 33 | Very low | 36.6 | Very low | 84 Ų | 84 | 60.8 Ų | 60.8 | 39% | 0.389 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 179.3 | -165.6 | -36 | 0 | 0 | 0 | 112.4 | P92 M93 S98 | P92-H96 VanDerWaalsContact O-CB 3.25Å; P92-H96 WeakPolarHBondContact O-CB 3.43Å; P92-H96 PolarHBondContact O-N 2.76Å; M93-H96 PolarHBondContact O-N 3.34Å; H96-S98 PolarHBondContact O-N 3.16Å |
| 97 | Q | 33.7 | Very low | 36.5 | Very low | 168 Ų | 168 | 65.2 Ų | 65.2 | 79% | 0.785 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25 | 173.6 | -71.6 | -178.5 | -19.3 | 0 | 0 | 112.5 | M93 L95 | M93-Q97 PolarHBondContact O-N 2.91Å; L95-Q97 PolarHBondContact O-N 2.8Å |
| 98 | S | 31 | Very low | 36.2 | Very low | 15 Ų | 15 | 67.6 Ų | 67.6 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -33.1 | -171.1 | -69.5 | 0 | 0 | 0 | 0 | 113 | S9 A94 L95 H96 | S9-S98 WeakPolarHBondContact CB-O 3.19Å; S9-S98 WeakPolarHBondContact OG-CA 3.34Å; S9-S98 PolarHBondContact OG-O 2.89Å; A94-S98 PolarHBondContact O-OG 3.22Å; L95-S98 CarbonylContact O-C 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 VanDerWaalsContact O-N 3.07Å; H96-S98 PolarHBondContact O-N 3.16Å |
| 99 | L | 37.4 | Very low | 36.4 | Very low | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | trans | -147.9 | 63.1 | -161.8 | -66 | 175.3 | 0 | 0 | 0 | 107.6 | V24 T26 W38 L95 I101 L102 G103 | V24-L99 HydrophobicContact CB-CD1 4.47Å; V24-L99 HydrophobicContact CG1-CD1 3.84Å; V24-L99 HydrophobicContact CG1-CD2 3.81Å; V24-L99 HydrophobicContact CG1-CG 4.34Å; T26-L99 HydrophobicContact CG2-CD2 4.34Å; T26-L99 WeakPolarHBondContact OG1-CD2 3.24Å; W38-L99 HydrophobicContact CZ3-CD2 3.96Å; L95-L99 HydrophobicContact CD2-CD1 3.72Å; L95-L99 CarbonylContact O-C 3.46Å; L95-L99 VanDerWaalsContact O-CA 3.28Å; L95-L99 WeakPolarHBondContact O-CA 3.21Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.83Å; L99-I101 PolarHBondContact O-N 2.82Å; L99-L102 HydrophobicContact CB-CB 4.14Å; L99-L102 HydrophobicContact CB-CD1 4Å; L99-L102 HydrophobicContact CB-CG 4.11Å; L99-L102 HydrophobicContact CD1-CD1 3.5Å; L99-L102 VanDerWaalsContact CD1-CD1 3.5Å; L99-L102 HydrophobicContact CD1-CG 4.44Å; L99-L102 HydrophobicContact CG-CD1 4.27Å; L99-L102 PolarHBondContact O-N 3.33Å; L99-G103 PolarHBondContact O-N 3.49Å | ||
| 100 | S | 35.9 | Very low | 36.8 | Very low | 49 Ų | 49 | 63.2 Ų | 63.2 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -27.7 | 176 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | G103 | S100-G103 WeakPolarHBondContact O-CA 2.82Å; S100-G103 PolarHBondContact O-N 3.14Å; S100-G103 VanDerWaalsContact O-N 3.14Å |
| 101 | I | 36.2 | Very low | 37.2 | Very low | 80 Ų | 80 | 63.1 Ų | 63.1 | 41% | 0.41 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.8 | 176.1 | -66.4 | 162.1 | 0 | 0 | 0 | 113.5 | T26 W38 L99 | T26-I101 HydrophobicContact CG2-CD1 4.31Å; W38-I101 HydrophobicContact CH2-CG2 4.39Å; W38-I101 HydrophobicContact CZ2-CG2 4.39Å; L99-I101 PolarHBondContact O-N 2.82Å |
| 102 | L | 40.3 | Very low | 37.8 | Very low | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.2 | 169.5 | -61.7 | 178.3 | 0 | 0 | 0 | 111.5 | W38 L99 S104 I109 L125 K127 | W38-L102 HydrophobicContact CH2-CD1 4.13Å; W38-L102 HydrophobicContact CH2-CD2 3.5Å; W38-L102 VanDerWaalsContact CH2-CD2 3.5Å; W38-L102 HydrophobicContact CH2-CG 3.6Å; W38-L102 HydrophobicContact CZ2-CD2 4.14Å; W38-L102 HydrophobicContact CZ3-CD1 3.95Å; W38-L102 HydrophobicContact CZ3-CD2 4.11Å; W38-L102 HydrophobicContact CZ3-CG 3.94Å; L99-L102 HydrophobicContact CB-CB 4.14Å; L99-L102 HydrophobicContact CB-CD1 4Å; L99-L102 HydrophobicContact CB-CG 4.11Å; L99-L102 HydrophobicContact CD1-CD1 3.5Å; L99-L102 VanDerWaalsContact CD1-CD1 3.5Å; L99-L102 HydrophobicContact CD1-CG 4.44Å; L99-L102 HydrophobicContact CG-CD1 4.27Å; L99-L102 PolarHBondContact O-N 3.33Å; L102-S104 PolarHBondContact O-N 2.78Å; L102-I109 HydrophobicContact CB-CD1 3.61Å; L102-I109 HydrophobicContact CD1-CD1 4.25Å; L102-I109 HydrophobicContact CD1-CG2 4.41Å; L102-L125 HydrophobicContact CD1-CD1 3.89Å; L102-K127 WeakPolarHBondContact O-CE 3.28Å; L102-K127 PolarHBondContact O-NZ 3.2Å |
| 103 | G | 34.2 | Very low | 38.4 | Very low | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | trans | -64.7 | 89.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L99 S100 | L99-G103 PolarHBondContact O-N 3.49Å; S100-G103 WeakPolarHBondContact O-CA 2.82Å; S100-G103 PolarHBondContact O-N 3.14Å; S100-G103 VanDerWaalsContact O-N 3.14Å | ||
| 104 | S | 36.5 | Very low | 38.9 | Very low | 45 Ų | 45 | 55.2 Ų | 55.2 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | trans | -106.3 | 114.8 | 137.5 | 52.7 | 0 | 0 | 0 | 0 | 106 | L102 G106 K127 | L102-S104 PolarHBondContact O-N 2.78Å; S104-G106 PolarHBondContact O-N 3.38Å; S104-K127 WeakPolarHBondContact OG-CE 3.08Å; S104-K127 PolarHBondContact OG-NZ 2.6Å | ||
| 105 | I | 37.3 | Very low | 39.5 | Very low | 148 Ų | 148 | 56.4 Ų | 56.4 | 76% | 0.759 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 127.1 | 179.7 | -63.7 | 166 | 0 | 0 | 0 | 109.2 | ||
| 106 | G | 35.4 | Very low | 39.9 | Very low | 61 Ų | 61 | 57.2 Ų | 57.2 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.1 | -6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | S104 | S104-G106 PolarHBondContact O-N 3.38Š|
| 107 | K | 40.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 54.7 Ų | 54.7 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | trans | -117.5 | 134.6 | 179.3 | -59.1 | -145.4 | -167 | 178.2 | 0 | 113.5 | ||||
| 108 | R | 40.9 | Very low | 40.8 | Very low | 175 Ų | 175 | 52.6 Ų | 52.6 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | trans | -63.9 | 136.3 | -179.4 | -63.4 | -172.9 | -176.3 | -177.6 | 5.2 | 110 | E89 | E89-R108 WeakPolarHBondContact OE2-CD 3.38Å; E89-R108 IonicContact OE2-CZ 3.79Å; E89-R108 IonicContact OE2-NE 3.95Å; E89-R108 IonicContact OE2-NH1 2.92Å; E89-R108 PolarHBondContact OE2-NH1 3.49Å | ||
| 109 | I | 44.5 | Very low | 41.1 | Very low | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.9 | 173.5 | -67.1 | 156.1 | 0 | 0 | 0 | 106.1 | L95 L102 V111 L125 K127 | L95-I109 HydrophobicContact CB-CD1 4.22Å; L95-I109 HydrophobicContact CD1-CB 3.44Å; L95-I109 VanDerWaalsContact CD1-CB 3.44Å; L95-I109 HydrophobicContact CD1-CD1 3.54Å; L95-I109 HydrophobicContact CD1-CG1 4.05Å; L95-I109 HydrophobicContact CD1-CG2 3.79Å; L102-I109 HydrophobicContact CB-CD1 3.61Å; L102-I109 HydrophobicContact CD1-CD1 4.25Å; L102-I109 HydrophobicContact CD1-CG2 4.41Å; I109-V111 HydrophobicContact CG2-CG2 4.49Å; I109-L125 HydrophobicContact CG2-CD2 4.42Å; I109-K127 HydrophobicContact CG1-CG 4.36Å |
| 110 | S | 45.3 | Very low | 41.2 | Very low | 8 Ų | 8 | 59.8 Ų | 59.8 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126 | 177 | -62.8 | 0 | 0 | 0 | 0 | 108.7 | R87 E126 | R87-S110 PolarHBondContact NE-OG 2.97Å; R87-S110 PolarHBondContact NH2-OG 2.83Å; S110-E126 PolarHBondContact N-O 2.99Å; S110-E126 VanDerWaalsContact N-O 3.08Å; S110-E126 PolarHBondContact O-N 2.98Å |
| 111 | V | 46.8 | Very low | 41.7 | Very low | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.8 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 107.9 | F13 R87 A88 I109 I113 V123 I124 L125 | F13-V111 HydrophobicContact CZ-CB 4.25Å; F13-V111 HydrophobicContact CZ-CG2 4.04Å; R87-V111 WeakPolarHBondContact CA-O 3.22Å; A88-V111 PolarHBondContact N-O 2.78Å; A88-V111 PolarHBondContact O-N 2.97Å; I109-V111 HydrophobicContact CG2-CG2 4.49Å; V111-I113 HydrophobicContact CG1-CG1 4.28Å; V111-V123 HydrophobicContact CG1-CG1 3.83Å; V111-I124 CarbonylContact C-O 3.51Å; V111-I124 WeakPolarHBondContact CA-O 3.43Å; V111-L125 HydrophobicContact CB-CD2 4.17Å; V111-L125 HydrophobicContact CG1-CD2 3.97Å; V111-L125 HydrophobicContact CG2-CD2 3.61Å |
| 112 | Y | 46.5 | Very low | 42.1 | Very low | 35 Ų | 35 | 55.8 Ų | 55.8 | 14% | 0.137 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.7 | 171.7 | -55.2 | -101.3 | 0 | 0 | 0 | 108.6 | I85 F86 R87 V123 I124 E126 | I85-Y112 HydrophobicContact CG2-CD1 4.33Å; F86-Y112 CarbonylContact O-C 3.59Å; F86-Y112 VanDerWaalsContact O-CA 3.27Å; F86-Y112 WeakPolarHBondContact O-CA 3.42Å; R87-Y112 HydrophobicContact CB-CD1 4.24Å; R87-Y112 HydrophobicContact CB-CE1 4.26Å; R87-Y112 HydrophobicContact CG-CD1 4.41Å; R87-Y112 HydrophobicContact CG-CE1 4.11Å; Y112-V123 CarbonylContact O-C 3.46Å; Y112-V123 VanDerWaalsContact O-CA 3.22Å; Y112-V123 WeakPolarHBondContact O-CA 3.43Å; Y112-I124 HydrophobicContact CD2-CB 4.13Å; Y112-I124 HydrophobicContact CD2-CG2 4.34Å; Y112-I124 HydrophobicContact CG-CB 4.4Å; Y112-I124 PolarHBondContact N-O 3.11Å; Y112-I124 PolarHBondContact O-N 3.4Å; Y112-E126 HydrophobicContact CE2-CB 3.86Å; Y112-E126 PolarHBondContact OH-OE2 2.87Å |
| 113 | I | 49.8 | Very low | 42.5 | Very low | 22 Ų | 22 | 55 Ų | 55 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.3 | 175.6 | -57.6 | 160.8 | 0 | 0 | 0 | 105.9 | I22 I85 F86 V111 L121 S122 | I22-I113 HydrophobicContact CD1-CD1 3.19Å; I22-I113 HydrophobicContact CD1-CG1 4.3Å; I85-I113 CarbonylContact C-O 3.46Å; F86-I113 HydrophobicContact CB-CB 4.26Å; F86-I113 HydrophobicContact CD2-CB 4.46Å; F86-I113 WeakPolarHBondContact CD2-O 3.33Å; F86-I113 PolarHBondContact N-O 2.78Å; F86-I113 PolarHBondContact O-N 2.92Å; V111-I113 HydrophobicContact CG1-CG1 4.28Å; I113-L121 HydrophobicContact CG2-CD1 3.28Å; I113-L121 HydrophobicContact CG2-CD2 4.19Å; I113-L121 HydrophobicContact CG2-CG 3.86Å; I113-S122 CarbonylContact C-O 3.55Å; I113-S122 WeakPolarHBondContact CA-O 3.43Å |
| 114 | I | 44.9 | Very low | 43.1 | Very low | 28 Ų | 28 | 55.1 Ų | 55.1 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.7 | -174.6 | -53.9 | 172.8 | 0 | 0 | 0 | 107.3 | P83 K84 I85 V116 L121 S122 I124 | P83-I114 HydrophobicContact CB-CG2 4.02Å; K84-I114 CarbonylContact O-C 3.49Å; K84-I114 WeakPolarHBondContact O-CA 3.27Å; I85-I114 HydrophobicContact CG1-CG1 4.14Å; I85-I114 HydrophobicContact CG1-CG2 4.09Å; I85-I114 HydrophobicContact CG2-CG1 4.13Å; I114-V116 HydrophobicContact CG2-CG2 4.08Å; I114-L121 CarbonylContact O-C 3.54Å; I114-L121 WeakPolarHBondContact O-CA 3.47Å; I114-S122 PolarHBondContact N-O 2.96Å; I114-S122 PolarHBondContact O-N 3.34Å; I114-I124 HydrophobicContact CD1-CD1 3.58Å; I114-I124 HydrophobicContact CD1-CG1 4.05Å |
| 115 | Y | 46 | Very low | 43.7 | Very low | 69 Ų | 69 | 53.9 Ų | 53.9 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.8 | 177.2 | -169.2 | -94.7 | 0 | 0 | 0 | 109.5 | P83 K84 G117 D118 L121 I140 | P83-Y115 CarbonylContact C-O 3.24Å; P83-Y115 VanDerWaalsContact CA-O 3.24Å; P83-Y115 WeakPolarHBondContact CA-O 3.04Å; P83-Y115 WeakPolarHBondContact CB-O 2.86Å; K84-Y115 PolarHBondContact N-O 3.14Å; K84-Y115 PolarHBondContact O-N 3.46Å; Y115-G117 WeakPolarHBondContact CD1-O 2.97Å; Y115-G117 VanDerWaalsContact CE1-C 3.41Å; Y115-G117 WeakPolarHBondContact CE1-O 3.5Å; Y115-D118 WeakPolarHBondContact OH-CA 3.49Å; Y115-D118 PolarHBondContact OH-OD1 3.1Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; Y115-I140 HydrophobicContact CD2-CD1 3.66Å; Y115-I140 HydrophobicContact CE2-CD1 3.33Å |
| 116 | V | 42.1 | Very low | 44 | Very low | 21 Ų | 21 | 48.5 Ų | 48.5 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 87.6 | -178.4 | 169.2 | 0 | 0 | 0 | 0 | 108.2 | L79 P83 I114 Y120 | L79-V116 HydrophobicContact CD1-CB 4.35Å; L79-V116 HydrophobicContact CD1-CG1 3.44Å; L79-V116 VanDerWaalsContact CD1-CG1 3.44Å; L79-V116 HydrophobicContact CD1-CG2 4.36Å; L79-V116 HydrophobicContact CD2-CG1 3.47Å; L79-V116 VanDerWaalsContact CD2-CG1 3.47Å; L79-V116 HydrophobicContact CG-CG1 4.03Å; P83-V116 HydrophobicContact CB-CG2 3.88Å; I114-V116 HydrophobicContact CG2-CG2 4.08Å; V116-Y120 HydrophobicContact CG1-CD2 4.5Å; V116-Y120 PolarHBondContact N-O 3.4Å; V116-Y120 PolarHBondContact O-N 3.07Å |
| 117 | G | 42.4 | Very low | 44.6 | Very low | 30 Ų | 30 | 47.9 Ų | 47.9 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | 58.5 | -162.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y115 T119 | Y115-G117 WeakPolarHBondContact CD1-O 2.97Å; Y115-G117 VanDerWaalsContact CE1-C 3.41Å; Y115-G117 WeakPolarHBondContact CE1-O 3.5Å; G117-T119 PolarHBondContact O-N 3.43Å; G117-T119 VanDerWaalsContact O-N 3.09Å |
| 118 | D | 43.1 | Very low | 45.1 | Very low | 124 Ų | 124 | 47.5 Ų | 47.5 | 66% | 0.663 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -78.1 | 6.7 | -172.9 | -51.7 | -34.7 | 0 | 0 | 0 | 114.6 | Y115 | Y115-D118 WeakPolarHBondContact OH-CA 3.49Å; Y115-D118 PolarHBondContact OH-OD1 3.1Å |
| 119 | T | 37 | Very low | 45.2 | Very low | 63 Ų | 63 | 42 Ų | 42 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -131.1 | -13.8 | -160.4 | 27.2 | 0 | 0 | 0 | 0 | 115.1 | G117 H138 P139 | G117-T119 PolarHBondContact O-N 3.43Å; G117-T119 VanDerWaalsContact O-N 3.09Å; T119-H138 CarbonylContact O-C 3.6Å; T119-H138 VanDerWaalsContact O-C 3.24Å; T119-P139 HydrophobicContact CG2-CB 4.44Å; T119-P139 WeakPolarHBondContact O-CA 3.09Å |
| 120 | Y | 40.5 | Very low | 45 | Very low | 107 Ų | 107 | 51.5 Ų | 51.5 | 42% | 0.42 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 136.2 | -170.4 | -64.5 | -79.3 | 0 | 0 | 0 | 112.2 | V116 N137 | V116-Y120 HydrophobicContact CG1-CD2 4.5Å; V116-Y120 PolarHBondContact N-O 3.4Å; V116-Y120 PolarHBondContact O-N 3.07Å; Y120-N137 HydrophobicContact CD1-CB 4.27Å; Y120-N137 HydrophobicContact CE1-CB 4.22Å |
| 121 | L | 44.9 | Very low | 44.9 | Very low | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 113.5 | 177.7 | -165.4 | 81.4 | 0 | 0 | 0 | 109.8 | V42 I113 I114 Y115 V123 V136 I140 | V42-L121 HydrophobicContact CB-CD2 4.22Å; V42-L121 HydrophobicContact CG2-CD2 3.23Å; I113-L121 HydrophobicContact CG2-CD1 3.28Å; I113-L121 HydrophobicContact CG2-CD2 4.19Å; I113-L121 HydrophobicContact CG2-CG 3.86Å; I114-L121 CarbonylContact O-C 3.54Å; I114-L121 WeakPolarHBondContact O-CA 3.47Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; L121-V123 HydrophobicContact CD2-CG2 4.25Å; L121-V136 CarbonylContact O-C 3.48Å; L121-V136 WeakPolarHBondContact O-CB 3.4Å; L121-V136 PolarHBondContact O-N 3.32Å; L121-I140 HydrophobicContact CB-CD1 4.14Å; L121-I140 HydrophobicContact CD1-CD1 4.32Å |
| 122 | S | 45.4 | Very low | 44.7 | Very low | 23 Ų | 23 | 62.1 Ų | 62.1 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 140.3 | 168.9 | -177 | 0 | 0 | 0 | 0 | 109.9 | I113 I114 | I113-S122 CarbonylContact C-O 3.55Å; I113-S122 WeakPolarHBondContact CA-O 3.43Å; I114-S122 PolarHBondContact N-O 2.96Å; I114-S122 PolarHBondContact O-N 3.34Å |
| 123 | V | 47.7 | Very low | 44.3 | Very low | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.5 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | F40 V111 Y112 L121 L134 | F40-V123 HydrophobicContact CB-CG2 4.26Å; F40-V123 HydrophobicContact CD1-CG1 4.33Å; F40-V123 HydrophobicContact CD2-CB 4.13Å; F40-V123 HydrophobicContact CD2-CG1 4.32Å; F40-V123 HydrophobicContact CE1-CG1 4.27Å; F40-V123 HydrophobicContact CE2-CB 4.44Å; F40-V123 HydrophobicContact CE2-CG1 4.31Å; F40-V123 HydrophobicContact CG-CB 4.35Å; F40-V123 HydrophobicContact CG-CG1 4.36Å; F40-V123 HydrophobicContact CG-CG2 4.34Å; F40-V123 HydrophobicContact CZ-CG1 4.32Å; V111-V123 HydrophobicContact CG1-CG1 3.83Å; Y112-V123 CarbonylContact O-C 3.46Å; Y112-V123 VanDerWaalsContact O-CA 3.22Å; Y112-V123 WeakPolarHBondContact O-CA 3.43Å; L121-V123 HydrophobicContact CD2-CG2 4.25Å; V123-L134 PolarHBondContact N-O 3.03Å; V123-L134 CarbonylContact O-C 3.56Å; V123-L134 WeakPolarHBondContact O-CA 3.5Å; V123-L134 PolarHBondContact O-N 2.69Å |
| 124 | I | 48.3 | Very low | 43.8 | Very low | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.1 | 174.1 | -48.7 | -177.8 | 0 | 0 | 0 | 107.8 | V111 Y112 I114 R131 | V111-I124 CarbonylContact C-O 3.51Å; V111-I124 WeakPolarHBondContact CA-O 3.43Å; Y112-I124 HydrophobicContact CD2-CB 4.13Å; Y112-I124 HydrophobicContact CD2-CG2 4.34Å; Y112-I124 HydrophobicContact CG-CB 4.4Å; Y112-I124 PolarHBondContact N-O 3.11Å; Y112-I124 PolarHBondContact O-N 3.4Å; I114-I124 HydrophobicContact CD1-CD1 3.58Å; I114-I124 HydrophobicContact CD1-CG1 4.05Å; I124-R131 HydrophobicContact CG2-CB 4.17Å |
| 125 | L | 48.6 | Very low | 43.5 | Very low | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.4 | 169.6 | -63.8 | 178.3 | 0 | 0 | 0 | 108.6 | W38 F40 L102 I109 V111 Q132 | W38-L125 HydrophobicContact CE3-CD1 4.04Å; W38-L125 HydrophobicContact CZ3-CD1 4.1Å; F40-L125 HydrophobicContact CE1-CD1 4.44Å; F40-L125 HydrophobicContact CZ-CD1 3.78Å; F40-L125 HydrophobicContact CZ-CG 4.24Å; L102-L125 HydrophobicContact CD1-CD1 3.89Å; I109-L125 HydrophobicContact CG2-CD2 4.42Å; V111-L125 HydrophobicContact CB-CD2 4.17Å; V111-L125 HydrophobicContact CG1-CD2 3.97Å; V111-L125 HydrophobicContact CG2-CD2 3.61Å; L125-Q132 PolarHBondContact N-O 3.23Å; L125-Q132 PolarHBondContact O-N 2.92Å |
| 126 | E | 44.2 | Very low | 42.9 | Very low | 35 Ų | 35 | 62.4 Ų | 62.4 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.8 | 173.5 | -171.6 | 179.6 | 146.8 | 0 | 0 | 110.4 | S110 Y112 R130 R131 | S110-E126 PolarHBondContact N-O 2.99Å; S110-E126 VanDerWaalsContact N-O 3.08Å; S110-E126 PolarHBondContact O-N 2.98Å; Y112-E126 HydrophobicContact CE2-CB 3.86Å; Y112-E126 PolarHBondContact OH-OE2 2.87Å; E126-R130 WeakPolarHBondContact CA-O 3.11Å; E126-R131 HydrophobicContact CB-CG 4.04Å; E126-R131 HydrophobicContact CG-CG 3.68Å; E126-R131 WeakPolarHBondContact OE2-CG 3.34Å; E126-R131 IonicContact OE2-CZ 3.57Å; E126-R131 IonicContact OE2-NE 2.78Å; E126-R131 PolarHBondContact OE2-NE 3.26Å; E126-R131 IonicContact OE2-NH2 3.46Å; E126-R131 PolarHBondContact OE2-NH2 3.48Å |
| 127 | K | 47.4 | Very low | 42.7 | Very low | 48 Ų | 48 | 65.8 Ų | 65.8 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 128.4 | 176.5 | -169.7 | -172.5 | 171.1 | 178.2 | 0 | 108.5 | L102 S104 I109 G129 R130 | L102-K127 WeakPolarHBondContact O-CE 3.28Å; L102-K127 PolarHBondContact O-NZ 3.2Å; S104-K127 WeakPolarHBondContact OG-CE 3.08Å; S104-K127 PolarHBondContact OG-NZ 2.6Å; I109-K127 HydrophobicContact CG1-CG 4.36Å; K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.63Å; K127-R130 PolarHBondContact N-O 3.08Å; K127-R130 PolarHBondContact O-N 2.49Å; K127-R130 VanDerWaalsContact O-N 3.07Å; K127-R130 VanDerWaalsContact O-O 3.12Å |
| 128 | H | 51.2 | Low | 42.3 | Very low | 113 Ų | 113 | 68.9 Ų | 68.9 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 34.6 | -178.4 | -53.6 | -70.9 | 0 | 0 | 0 | 115.1 | R130 | H128-R130 PolarHBondContact O-N 3.02Š|
| 129 | G | 42.7 | Very low | 41.9 | Very low | 58 Ų | 58 | 65.5 Ų | 65.5 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -2.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | K127 | K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.63Å |
| 130 | R | 40.9 | Very low | 41.8 | Very low | 207 Ų | 207 | 65.9 Ų | 65.9 | 78% | 0.781 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121 | 170.2 | -67.5 | -171.2 | 176.9 | -173.7 | -1.3 | 108.8 | E126 K127 H128 | E126-R130 WeakPolarHBondContact CA-O 3.11Å; K127-R130 PolarHBondContact N-O 3.08Å; K127-R130 PolarHBondContact O-N 2.49Å; K127-R130 VanDerWaalsContact O-N 3.07Å; K127-R130 VanDerWaalsContact O-O 3.12Å; H128-R130 PolarHBondContact O-N 3.02Å |
| 131 | R | 43 | Very low | 41.1 | Very low | 130 Ų | 130 | 64.4 Ų | 64.4 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.8 | 177.1 | -67.5 | 175.3 | 177.3 | 155.1 | 6.4 | 109.3 | I124 E126 | I124-R131 HydrophobicContact CG2-CB 4.17Å; E126-R131 HydrophobicContact CB-CG 4.04Å; E126-R131 HydrophobicContact CG-CG 3.68Å; E126-R131 WeakPolarHBondContact OE2-CG 3.34Å; E126-R131 IonicContact OE2-CZ 3.57Å; E126-R131 IonicContact OE2-NE 2.78Å; E126-R131 PolarHBondContact OE2-NE 3.26Å; E126-R131 IonicContact OE2-NH2 3.46Å; E126-R131 PolarHBondContact OE2-NH2 3.48Å |
| 132 | Q | 41.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 107.5 | 165.7 | -71.9 | -168.2 | -6 | 0 | 0 | 108.1 | L125 | L125-Q132 PolarHBondContact N-O 3.23Å; L125-Q132 PolarHBondContact O-N 2.92Å |
| 133 | G | 38.7 | Very low | 39.7 | Very low | 42 Ų | 42 | 73.9 Ų | 73.9 | 43% | 0.433 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 132.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 134 | L | 39.1 | Very low | 38.9 | Very low | 27 Ų | 27 | 85.3 Ų | 85.3 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 110.6 | 171.5 | -166 | 112.5 | 0 | 0 | 0 | 110.7 | P37 W38 F40 V123 V136 | P37-L134 HydrophobicContact CB-CD1 4.2Å; W38-L134 VanDerWaalsContact C-CD2 3.49Å; W38-L134 HydrophobicContact CB-CD1 3.77Å; W38-L134 HydrophobicContact CB-CD2 4.13Å; W38-L134 HydrophobicContact CB-CG 4.42Å; W38-L134 HydrophobicContact CG-CD1 4.4Å; W38-L134 WeakPolarHBondContact O-CD1 3.37Å; W38-L134 WeakPolarHBondContact O-CD2 3.46Å; W38-L134 WeakPolarHBondContact O-CG 3.48Å; F40-L134 HydrophobicContact CD2-CD2 3.43Å; F40-L134 VanDerWaalsContact CD2-CD2 3.43Å; F40-L134 HydrophobicContact CE2-CB 4.24Å; F40-L134 HydrophobicContact CE2-CD2 3.57Å; F40-L134 HydrophobicContact CE2-CG 4.41Å; V123-L134 PolarHBondContact N-O 3.03Å; V123-L134 CarbonylContact O-C 3.56Å; V123-L134 WeakPolarHBondContact O-CA 3.5Å; V123-L134 PolarHBondContact O-N 2.69Å; L134-V136 HydrophobicContact CD2-CG2 3.79Å; L134-V136 PolarHBondContact O-N 3.07Å |
| 135 | Q | 37.8 | Very low | 37.9 | Very low | 75 Ų | 75 | 91.8 Ų | 91.8 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.1 | 179.1 | -172.9 | 176.8 | 7.5 | 0 | 0 | 109.9 | P72 N137 | P72-Q135 VanDerWaalsContact CG-OE1 3.31Å; Q135-N137 WeakPolarHBondContact CG-OD1 3.46Å; Q135-N137 PolarHBondContact NE2-ND2 3.45Å; Q135-N137 PolarHBondContact NE2-OD1 3Å |
| 136 | V | 35.2 | Very low | 37.1 | Very low | 15 Ų | 15 | 97 Ų | 97 | 9% | 0.091 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 96.8 | 168 | -169.9 | 0 | 0 | 0 | 0 | 108 | F40 L121 L134 H138 | F40-V136 HydrophobicContact CB-CG2 4.09Å; F40-V136 HydrophobicContact CD2-CG2 4.26Å; F40-V136 WeakPolarHBondContact O-CG1 3.25Å; L121-V136 CarbonylContact O-C 3.48Å; L121-V136 WeakPolarHBondContact O-CB 3.4Å; L121-V136 PolarHBondContact O-N 3.32Å; L134-V136 HydrophobicContact CD2-CG2 3.79Å; L134-V136 PolarHBondContact O-N 3.07Å; V136-H138 HydrophobicContact CG1-CB 4.04Å; V136-H138 PolarHBondContact O-N 3.3Å |
| 137 | N | 36.6 | Very low | 36.3 | Very low | 93 Ų | 93 | 99.4 Ų | 99.4 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -76 | 77.9 | 171.9 | -73.7 | -29.8 | 0 | 0 | 0 | 109.7 | Y120 Q135 | Y120-N137 HydrophobicContact CD1-CB 4.27Å; Y120-N137 HydrophobicContact CE1-CB 4.22Å; Q135-N137 WeakPolarHBondContact CG-OD1 3.46Å; Q135-N137 PolarHBondContact NE2-ND2 3.45Å; Q135-N137 PolarHBondContact NE2-OD1 3Å | ||
| 138 | H | 34.9 | Very low | 35.3 | Very low | 95 Ų | 95 | 107.3 Ų | 107.3 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | trans | -123.3 | 123.2 | 174.7 | -115.4 | -55.9 | 0 | 0 | 0 | 111.9 | T119 V136 I140 | T119-H138 CarbonylContact O-C 3.6Å; T119-H138 VanDerWaalsContact O-C 3.24Å; V136-H138 HydrophobicContact CG1-CB 4.04Å; V136-H138 PolarHBondContact O-N 3.3Å; H138-I140 PolarHBondContact O-N 3.14Å; H138-I140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | P | 33.7 | Very low | 34.4 | Very low | 53 Ų | 53 | 107.4 Ų | 107.4 | 34% | 0.344 | 54% | 0.54 | S | S | . | . | trans | -60.6 | 114.4 | 171.4 | 22 | -30 | 0 | 0 | 0 | 111.1 | T119 G141 | T119-P139 HydrophobicContact CG2-CB 4.44Å; T119-P139 WeakPolarHBondContact O-CA 3.09Å; P139-G141 PolarHBondContact O-N 3.21Å | ||
| 140 | I | 34.6 | Very low | 33.6 | Very low | 71 Ų | 71 | 112.7 Ų | 112.7 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 94.9 | 177.6 | -55.3 | 172.8 | 0 | 0 | 0 | 107.7 | Y115 L121 H138 | Y115-I140 HydrophobicContact CD2-CD1 3.66Å; Y115-I140 HydrophobicContact CE2-CD1 3.33Å; L121-I140 HydrophobicContact CB-CD1 4.14Å; L121-I140 HydrophobicContact CD1-CD1 4.32Å; H138-I140 PolarHBondContact O-N 3.14Å; H138-I140 VanDerWaalsContact O-N 3.14Å |
| 141 | G | 27.4 | Very low | 32.8 | Very low | 76 Ų | 76 | 107.8 Ų | 107.8 | 78% | 0.784 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.6 | -11.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P139 | P139-G141 PolarHBondContact O-N 3.21Š|
| 142 | Q | 31.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 112.9 Ų | 112.9 | 75% | 0.752 | 56% | 0.558 | S | S | * | * | trans | -103 | 1.8 | -175.2 | -83.2 | -168.2 | -12.7 | 0 | 0 | 116.3 | R144 | Q142-R144 VanDerWaalsContact C-N 3.34Å; Q142-R144 PolarHBondContact O-N 2.88Å | ||
| 143 | V | 29.2 | Very low | 31.2 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | trans | -80.8 | 83.1 | -179.8 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | W146 | V143-W146 HydrophobicContact CG1-CG 4.15Š| ||
| 144 | R | 29.3 | Very low | 30.7 | Very low | 244 Ų | 244 | 116.4 Ų | 116.4 | 92% | 0.921 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -83.4 | -35.2 | 166.8 | -76.5 | -171 | 177 | -173.5 | 0.6 | 111.9 | Q142 | Q142-R144 VanDerWaalsContact C-N 3.34Å; Q142-R144 PolarHBondContact O-N 2.88Å |
| 145 | E | 28.3 | Very low | 30.1 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -136.3 | 131.6 | 176.9 | -68.6 | -179.6 | 170 | 0 | 0 | 108.3 | ||
| 146 | W | 30.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 49% | 0.485 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 136.7 | 173.1 | -85.1 | 71 | 0 | 0 | 0 | 108.7 | A41 V143 R148 | A41-W146 HydrophobicContact CB-CH2 3.42Å; A41-W146 VanDerWaalsContact CB-CH2 3.42Å; A41-W146 HydrophobicContact CB-CZ2 4.01Å; A41-W146 HydrophobicContact CB-CZ3 4.42Å; V143-W146 HydrophobicContact CG1-CG 4.15Å; W146-R148 PolarHBondContact O-N 2.82Å |
| 147 | P | 29 | Very low | 29 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 135.5 | 157.5 | 25.7 | -29.5 | 0 | 0 | 0 | 107.1 | V149 D151 | P147-V149 PolarHBondContact O-N 3.21Å; P147-D151 HydrophobicContact CB-CB 4.18Å |
| 148 | R | 26.7 | Very low | 28.3 | Very low | 215 Ų | 215 | 131.7 Ų | 131.7 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.7 | 176.1 | -69.3 | 179.9 | 179.9 | 177 | 0.3 | 106.6 | W146 H150 D151 | W146-R148 PolarHBondContact O-N 2.82Å; R148-H150 PolarHBondContact O-N 3.39Å; R148-D151 PolarHBondContact O-N 3.28Å |
| 149 | V | 30.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -6 | -174.8 | 176.1 | 0 | 0 | 0 | 0 | 114.3 | I8 P147 | I8-V149 HydrophobicContact CD1-CG1 4.23Å; P147-V149 PolarHBondContact O-N 3.21Å |
| 150 | H | 25.6 | Very low | 27.4 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -10.9 | 174.6 | -64.6 | -65.5 | 0 | 0 | 0 | 115.7 | R148 R152 | R148-H150 PolarHBondContact O-N 3.39Å; H150-R152 PolarHBondContact O-N 3.16Å; H150-R152 VanDerWaalsContact O-N 3.11Å |
| 151 | D | 24.9 | Very low | 27 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 56% | 0.556 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -79.8 | 103.8 | 177.8 | -66.7 | -31.7 | 0 | 0 | 0 | 109.5 | P147 R148 L153 | P147-D151 HydrophobicContact CB-CB 4.18Å; R148-D151 PolarHBondContact O-N 3.28Å; D151-L153 PolarHBondContact O-N 3.47Å |
| 152 | R | 25.1 | Very low | 27 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | -38.4 | 104.4 | 169.6 | -77.8 | 172.5 | 155.4 | 176.3 | -6.2 | 109.7 | H150 T154 | H150-R152 PolarHBondContact O-N 3.16Å; H150-R152 VanDerWaalsContact O-N 3.11Å; R152-T154 PolarHBondContact O-N 3.01Å | ||
| 153 | L | 27.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | trans | -72.1 | 121.8 | 161.9 | -10.5 | 65.3 | 0 | 0 | 0 | 109.2 | R39 D151 V155 | R39-L153 PolarHBondContact NH1-O 3.1Å; R39-L153 PolarHBondContact NH2-O 2.77Å; D151-L153 PolarHBondContact O-N 3.47Å; L153-V155 PolarHBondContact O-N 2.96Å; L153-V155 VanDerWaalsContact O-N 3.17Å | ||
| 154 | T | 26.5 | Very low | 26.6 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -62.9 | 115.8 | 176.2 | -34.5 | 0 | 0 | 0 | 0 | 108.1 | R39 R152 | R39-T154 VanDerWaalsContact NH2-C 3.34Å; R39-T154 PolarHBondContact NH2-O 2.91Å; R152-T154 PolarHBondContact O-N 3.01Å | ||
| 155 | V | 27 | Very low | 26.4 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 42% | 0.418 | 72% | 0.723 | S | S | . | * | trans | -88.3 | 107.6 | 167.2 | 175.5 | 0 | 0 | 0 | 0 | 104.9 | P37 R39 L153 Q157 | P37-V155 HydrophobicContact CG-CB 4.4Å; P37-V155 HydrophobicContact CG-CG1 3.64Å; P37-V155 HydrophobicContact CG-CG2 3.82Å; R39-V155 VanDerWaalsContact CZ-CG2 3.43Å; L153-V155 PolarHBondContact O-N 2.96Å; L153-V155 VanDerWaalsContact O-N 3.17Å; V155-Q157 PolarHBondContact O-N 3.39Å | ||
| 156 | T | 23.8 | Very low | 26.3 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -76.2 | 103.3 | 168.4 | -5.8 | 0 | 0 | 0 | 0 | 107.4 | H158 | T156-H158 PolarHBondContact O-N 3.07Š| ||
| 157 | Q | 26 | Very low | 26 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -78.7 | 108.6 | 173.5 | -153.3 | 174.8 | 7.7 | 0 | 0 | 106.8 | V155 S159 | V155-Q157 PolarHBondContact O-N 3.39Å; Q157-S159 PolarHBondContact O-N 3.31Å | ||
| 158 | H | 22.4 | Very low | 25.7 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | trans | -86.9 | 97.7 | 163 | -76 | -78 | 0 | 0 | 0 | 106.5 | T156 | T156-H158 PolarHBondContact O-N 3.07Š| ||
| 159 | S | 22.5 | Very low | 25.6 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -91.3 | 124.2 | 161.2 | 44.7 | 0 | 0 | 0 | 0 | 107.4 | Q157 | Q157-S159 PolarHBondContact O-N 3.31Š| ||
| 160 | E | 26.1 | Very low | 25.2 | Very low | 268 Ų | 268 | 148.7 Ų | 148.7 | 100% | 1.252 | 75% | 0.747 | S | S | * | * | trans | -65.3 | 0 | 149.6 | -70.2 | -177.4 | 162.6 | 0 | 0 | 109.4 |
Retrieved 160 of 160 residues in 209.5 ms
(Link to these results)