| 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 | 83.7 | Confident | 90.2 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | 0 | 145.5 | 0 | 159.2 | -150.7 | 169.9 | 0 | 0 | 105.9 | V3 D14 T15 L57 S58 | M1-V3 HydrophobicContact CE-CG1 4.03Å; M1-D14 PolarHBondContact N-OD1 2.73Å; M1-D14 CarbonylContact O-C 3.59Å; M1-D14 WeakPolarHBondContact O-CA 3.42Å; M1-T15 HydrophobicContact CB-CG2 4.07Å; M1-T15 WeakPolarHBondContact CB-OG1 3.27Å; M1-T15 HydrophobicContact CG-CG2 4.14Å; M1-T15 PolarHBondContact N-OG1 3.38Å; M1-T15 WeakPolarHBondContact O-CB 3.38Å; M1-T15 VanDerWaalsContact O-CG2 3.28Å; M1-T15 WeakPolarHBondContact O-CG2 3.49Å; M1-T15 PolarHBondContact O-N 3.03Å; M1-T15 PolarHBondContact O-OG1 3.46Å; M1-T15 VanDerWaalsContact O-OG1 3.09Å; M1-T15 HydrophobicContact SD-CG2 3.86Å; M1-L57 HydrophobicContact CE-CB 4.17Å; M1-L57 WeakPolarHBondContact CE-O 3Å; M1-S58 WeakPolarHBondContact CE-O 3.42Å | |||
| 2 | K | 88.2 | Confident | 90.4 | Very high | 133 Ų | 133 | 74.2 Ų | 74.2 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.4 | -175.7 | -65.3 | -177.1 | -178.7 | -177.5 | 0 | 110.3 | V12 I13 S59 | K2-V12 HydrophobicContact CB-CG1 3.8Å; K2-V12 HydrophobicContact CD-CG1 3.84Å; K2-V12 HydrophobicContact CG-CG1 4.11Å; K2-I13 WeakPolarHBondContact CA-O 3.44Å; K2-S59 VanDerWaalsContact O-O 3.05Å |
| 3 | V | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142 | 172.2 | -68.5 | 0 | 0 | 0 | 0 | 109.7 | M1 V5 I13 T15 L24 I63 | M1-V3 HydrophobicContact CE-CG1 4.03Å; V3-V5 HydrophobicContact CG2-CG2 4.21Å; V3-I13 HydrophobicContact CG2-CB 4.19Å; V3-I13 WeakPolarHBondContact CG2-O 3.43Å; V3-I13 PolarHBondContact N-O 2.72Å; V3-I13 PolarHBondContact O-N 3.33Å; V3-T15 HydrophobicContact CG1-CG2 3.92Å; V3-T15 HydrophobicContact CG2-CG2 4.5Å; V3-L24 HydrophobicContact CG2-CD1 4.5Å; V3-I63 HydrophobicContact CB-CD1 4.26Å; V3-I63 HydrophobicContact CG2-CD1 4.27Å |
| 4 | F | 92.6 | Very high | 90.4 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.5 | 175.5 | -65.6 | -86.5 | 0 | 0 | 0 | 108.7 | T10 V12 T61 S62 I63 | F4-T10 HydrophobicContact CD1-CG2 4.46Å; F4-V12 HydrophobicContact CD1-CG2 3.77Å; F4-V12 HydrophobicContact CE1-CG2 3.61Å; F4-T61 PolarHBondContact N-O 3.26Å; F4-T61 VanDerWaalsContact N-O 3.15Å; F4-S62 CarbonylContact O-C 3.5Å; F4-S62 VanDerWaalsContact O-CA 3.29Å; F4-S62 WeakPolarHBondContact O-CA 2.98Å; F4-I63 PolarHBondContact O-N 3Å |
| 5 | V | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.8 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | V3 T10 R11 I13 L24 L28 I63 V65 | V3-V5 HydrophobicContact CG2-CG2 4.21Å; V5-T10 CarbonylContact O-C 3.6Å; V5-T10 WeakPolarHBondContact O-CA 3.19Å; V5-R11 PolarHBondContact N-O 2.97Å; V5-R11 PolarHBondContact O-N 3.35Å; V5-I13 HydrophobicContact CB-CD1 4.23Å; V5-I13 HydrophobicContact CG2-CB 4.4Å; V5-I13 HydrophobicContact CG2-CD1 3.82Å; V5-I13 HydrophobicContact CG2-CG1 4.38Å; V5-L24 HydrophobicContact CG2-CD1 3.81Å; V5-L28 HydrophobicContact CG1-CD1 3.96Å; V5-L28 HydrophobicContact CG1-CD2 4.09Å; V5-I63 WeakPolarHBondContact CA-O 3.5Å; V5-I63 HydrophobicContact CG2-CB 4.41Å; V5-V65 HydrophobicContact CG1-CG2 3.51Å |
| 6 | K | 92.2 | Very high | 90.2 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 100 | 179.7 | -65.9 | 169.9 | 178.8 | 168.2 | 0 | 108.5 | T10 S62 I63 D64 V65 | K6-T10 HydrophobicContact CG-CG2 4.35Å; K6-S62 PolarHBondContact NZ-OG 3.39Å; K6-I63 PolarHBondContact N-O 3.19Å; K6-D64 VanDerWaalsContact CD-OD1 3.27Å; K6-D64 WeakPolarHBondContact CD-OD1 3.28Å; K6-V65 PolarHBondContact O-N 3.5Å |
| 7 | S | 89 | Confident | 90.1 | Very high | 33 Ų | 33 | 71.4 Ų | 71.4 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -109.8 | -119.5 | 169.3 | 68 | 0 | 0 | 0 | 0 | 109.7 | D9 D32 | S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact N-O 3.06Å; S7-D9 VanDerWaalsContact N-O 3.12Å; S7-D32 WeakPolarHBondContact CB-OD2 3.49Å; S7-D32 PolarHBondContact OG-OD2 3.24Å |
| 8 | F | 88.1 | Confident | 90.1 | Very high | 149 Ų | 149 | 67.8 Ų | 67.8 | 65% | 0.654 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -68.4 | -37.2 | 167.2 | -67.1 | -65.6 | 0 | 0 | 0 | 111.6 | D32 L34 | F8-D32 HydrophobicContact CD2-CB 3.88Å; F8-D32 HydrophobicContact CE2-CB 3.93Å; F8-L34 HydrophobicContact CE2-CD2 3.74Å; F8-L34 HydrophobicContact CE2-CG 4.36Å; F8-L34 HydrophobicContact CZ-CD2 3.94Å |
| 9 | D | 90.7 | Very high | 90.1 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -124.2 | 163.3 | 174.1 | -63.7 | -48.4 | 0 | 0 | 0 | 109.8 | S7 | S7-D9 VanDerWaalsContact C-N 3.35Å; S7-D9 PolarHBondContact N-O 3.06Å; S7-D9 VanDerWaalsContact N-O 3.12Å |
| 10 | T | 92.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 66.3 Ų | 66.3 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.3 | 169.8 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | F4 V5 K6 | F4-T10 HydrophobicContact CD1-CG2 4.46Å; V5-T10 CarbonylContact O-C 3.6Å; V5-T10 WeakPolarHBondContact O-CA 3.19Å; K6-T10 HydrophobicContact CG-CG2 4.35Å |
| 11 | R | 91.1 | Very high | 90.4 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.9 | 179.7 | -61.6 | 179.4 | -179.3 | 163.8 | 3.9 | 110.2 | V5 D32 | V5-R11 PolarHBondContact N-O 2.97Å; V5-R11 PolarHBondContact O-N 3.35Å; R11-D32 IonicContact CZ-OD1 2.72Å; R11-D32 IonicContact NH1-OD1 3.55Å; R11-D32 PolarHBondContact NH1-OD1 3.19Å; R11-D32 IonicContact NH1-OD2 3.1Å; R11-D32 IonicContact NH2-OD1 2.73Å; R11-D32 PolarHBondContact NH2-OD1 2.9Å |
| 12 | V | 92.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.5 | 172.5 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | K2 F4 | K2-V12 HydrophobicContact CB-CG1 3.8Å; K2-V12 HydrophobicContact CD-CG1 3.84Å; K2-V12 HydrophobicContact CG-CG1 4.11Å; F4-V12 HydrophobicContact CD1-CG2 3.77Å; F4-V12 HydrophobicContact CE1-CG2 3.61Å |
| 13 | I | 90.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.7 | 179.4 | -70.5 | 170.4 | 0 | 0 | 0 | 108.3 | K2 V3 V5 C18 L24 L27 | K2-I13 WeakPolarHBondContact CA-O 3.44Å; V3-I13 HydrophobicContact CG2-CB 4.19Å; V3-I13 WeakPolarHBondContact CG2-O 3.43Å; V3-I13 PolarHBondContact N-O 2.72Å; V3-I13 PolarHBondContact O-N 3.33Å; V5-I13 HydrophobicContact CB-CD1 4.23Å; V5-I13 HydrophobicContact CG2-CB 4.4Å; V5-I13 HydrophobicContact CG2-CD1 3.82Å; V5-I13 HydrophobicContact CG2-CG1 4.38Å; I13-C18 HydrophobicContact CG2-CB 4.34Å; I13-L24 HydrophobicContact CD1-CD1 4.49Å; I13-L27 HydrophobicContact CD1-CD2 4.09Å |
| 14 | D | 90.4 | Very high | 91.4 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.7 | 171.4 | -158.2 | -16.2 | 0 | 0 | 0 | 109.3 | M1 N16 D17 C18 | M1-D14 PolarHBondContact N-OD1 2.73Å; M1-D14 CarbonylContact O-C 3.59Å; M1-D14 WeakPolarHBondContact O-CA 3.42Å; D14-N16 PolarHBondContact O-N 2.92Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 PolarHBondContact OD1-N 3.33Å; D14-D17 PolarHBondContact O-N 3.46Å; D14-D17 VanDerWaalsContact O-N 3.12Å; D14-C18 PolarHBondContact O-N 3.12Å |
| 15 | T | 88.8 | Confident | 91.4 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.043 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.9 | 176.8 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | M1 V3 C18 P19 L54 | M1-T15 HydrophobicContact CB-CG2 4.07Å; M1-T15 WeakPolarHBondContact CB-OG1 3.27Å; M1-T15 HydrophobicContact CG-CG2 4.14Å; M1-T15 PolarHBondContact N-OG1 3.38Å; M1-T15 WeakPolarHBondContact O-CB 3.38Å; M1-T15 VanDerWaalsContact O-CG2 3.28Å; M1-T15 WeakPolarHBondContact O-CG2 3.49Å; M1-T15 PolarHBondContact O-N 3.03Å; M1-T15 PolarHBondContact O-OG1 3.46Å; M1-T15 VanDerWaalsContact O-OG1 3.09Å; M1-T15 HydrophobicContact SD-CG2 3.86Å; V3-T15 HydrophobicContact CG1-CG2 3.92Å; V3-T15 HydrophobicContact CG2-CG2 4.5Å; T15-C18 CarbonylContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-O 3.09Å; T15-P19 WeakPolarHBondContact O-CA 3.44Å; T15-L54 HydrophobicContact CG2-CB 3.84Å |
| 16 | N | 88.8 | Confident | 91.5 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -34.6 | 174.7 | -64.4 | -26.1 | 0 | 0 | 0 | 112 | D14 | D14-N16 PolarHBondContact O-N 2.92Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 PolarHBondContact OD1-N 3.33Å |
| 17 | D | 89 | Confident | 91.5 | Very high | 132 Ų | 132 | 56.8 Ų | 56.8 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -27.7 | 179.4 | -63.7 | -27.2 | 0 | 0 | 0 | 111.7 | D14 | D14-D17 PolarHBondContact O-N 3.46Å; D14-D17 VanDerWaalsContact O-N 3.12Å |
| 18 | C | 89.7 | Confident | 91.7 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | trans | -132.7 | 90.3 | 177 | -65.9 | 0 | 0 | 0 | 0 | 108.5 | I13 D14 T15 T20 D23 L24 L27 L54 | I13-C18 HydrophobicContact CG2-CB 4.34Å; D14-C18 PolarHBondContact O-N 3.12Å; T15-C18 CarbonylContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-C 3.29Å; T15-C18 VanDerWaalsContact O-O 3.09Å; C18-T20 VanDerWaalsContact C-N 3.3Å; C18-T20 PolarHBondContact O-N 3.47Å; C18-D23 HydrophobicContact CB-CB 4.08Å; C18-L24 HydrophobicContact CB-CB 4.35Å; C18-L27 VanDerWaalsContact SG-CD1 3.52Å; C18-L54 HydrophobicContact CB-CD1 4.35Å; C18-L54 WeakPolarHBondContact O-CD1 3.35Å | ||
| 19 | P | 90.3 | Very high | 92 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | trans | -69.3 | -30.8 | -177.4 | 25.3 | -32.2 | 0 | 0 | 0 | 112.4 | T15 D23 S53 L54 | T15-P19 WeakPolarHBondContact O-CA 3.44Å; P19-D23 VanDerWaalsContact CD-OD2 3.29Å; P19-D23 WeakPolarHBondContact CD-OD2 3.47Å; P19-D23 WeakPolarHBondContact CG-OD2 3.4Å; P19-S53 WeakPolarHBondContact O-CA 3.28Å; P19-S53 PolarHBondContact O-OG 3.14Å; P19-L54 PolarHBondContact O-N 3.36Å | ||
| 20 | T | 93.8 | Very high | 92.1 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 154.3 | -174.6 | -30.5 | 0 | 0 | 0 | 0 | 111.8 | C18 A22 D23 L24 D50 Q52 | C18-T20 VanDerWaalsContact C-N 3.3Å; C18-T20 PolarHBondContact O-N 3.47Å; T20-A22 PolarHBondContact O-N 2.83Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.98Å; T20-D23 WeakPolarHBondContact O-CB 3.46Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.12Å; T20-D23 PolarHBondContact OG1-OD2 3.12Å; T20-L24 PolarHBondContact O-N 2.85Å; T20-D50 WeakPolarHBondContact CG2-O 3.39Å; T20-Q52 WeakPolarHBondContact CG2-O 3.27Å |
| 21 | A | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.8 | -38.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D23 L24 K25 L41 I48 S49 Q52 L54 | A21-D23 VanDerWaalsContact C-N 3.35Å; A21-D23 PolarHBondContact O-N 2.87Å; A21-L24 WeakPolarHBondContact O-CB 3.48Å; A21-L24 PolarHBondContact O-N 2.82Å; A21-K25 WeakPolarHBondContact O-CG 3.29Å; A21-K25 PolarHBondContact O-N 2.85Å; A21-L41 HydrophobicContact CB-CD1 4.09Å; A21-I48 HydrophobicContact CB-CG2 3.49Å; A21-I48 VanDerWaalsContact CB-CG2 3.49Å; A21-S49 VanDerWaalsContact CB-O 3.28Å; A21-S49 WeakPolarHBondContact CB-O 3.47Å; A21-Q52 PolarHBondContact N-O 3.28Å; A21-L54 HydrophobicContact CB-CD2 4.31Å |
| 22 | A | 94.2 | Very high | 92 | Very high | 32 Ų | 32 | 49 Ų | 49 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T20 L24 K25 I26 D50 | T20-A22 PolarHBondContact O-N 2.83Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3.38Å; A22-K25 WeakPolarHBondContact O-CB 3.48Å; A22-K25 PolarHBondContact O-N 2.94Å; A22-K25 VanDerWaalsContact O-N 3.15Å; A22-I26 WeakPolarHBondContact O-CG1 3.35Å; A22-I26 PolarHBondContact O-N 3.39Å; A22-D50 HydrophobicContact CB-CB 4.28Å; A22-D50 WeakPolarHBondContact CB-O 3.04Å; A22-D50 PolarHBondContact N-O 2.88Å; A22-D50 VanDerWaalsContact N-O 3.16Å |
| 23 | D | 94.1 | Very high | 92 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 179.3 | -53.9 | -45 | 0 | 0 | 0 | 110.7 | C18 P19 T20 A21 I26 L27 | C18-D23 HydrophobicContact CB-CB 4.08Å; P19-D23 VanDerWaalsContact CD-OD2 3.29Å; P19-D23 WeakPolarHBondContact CD-OD2 3.47Å; P19-D23 WeakPolarHBondContact CG-OD2 3.4Å; T20-D23 VanDerWaalsContact CB-OD2 3.25Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 PolarHBondContact N-OD2 2.98Å; T20-D23 WeakPolarHBondContact O-CB 3.46Å; T20-D23 PolarHBondContact O-N 2.89Å; T20-D23 VanDerWaalsContact O-N 3.12Å; T20-D23 PolarHBondContact OG1-OD2 3.12Å; A21-D23 VanDerWaalsContact C-N 3.35Å; A21-D23 PolarHBondContact O-N 2.87Å; D23-I26 PolarHBondContact O-N 2.65Å; D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 2.81Å |
| 24 | L | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 174.6 | -175.3 | 152.7 | 0 | 0 | 0 | 111.8 | V3 V5 I13 C18 T20 A21 A22 L27 L28 L41 L54 I63 | V3-L24 HydrophobicContact CG2-CD1 4.5Å; V5-L24 HydrophobicContact CG2-CD1 3.81Å; I13-L24 HydrophobicContact CD1-CD1 4.49Å; C18-L24 HydrophobicContact CB-CB 4.35Å; T20-L24 PolarHBondContact O-N 2.85Å; A21-L24 WeakPolarHBondContact O-CB 3.48Å; A21-L24 PolarHBondContact O-N 2.82Å; A22-L24 VanDerWaalsContact C-N 3.29Å; A22-L24 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 2.99Å; L24-L28 HydrophobicContact CD2-CD1 3.41Å; L24-L28 VanDerWaalsContact CD2-CD1 3.41Å; L24-L28 HydrophobicContact CD2-CG 4.13Å; L24-L28 HydrophobicContact CG-CD1 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-L41 HydrophobicContact CD2-CD1 3.53Å; L24-L41 HydrophobicContact CD2-CD2 3.55Å; L24-L41 HydrophobicContact CD2-CG 4.18Å; L24-L54 HydrophobicContact CB-CD1 3.84Å; L24-L54 HydrophobicContact CD1-CD1 3.37Å; L24-L54 HydrophobicContact CD1-CD2 4.45Å; L24-L54 HydrophobicContact CG-CD1 4.26Å; L24-I63 HydrophobicContact CD1-CD1 4.11Å |
| 25 | K | 94.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 10% | 0.1 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.8 | -66.7 | -163 | 177 | 176.2 | 0 | 111.9 | A21 A22 L28 A29 L36 L39 L41 D50 | A21-K25 WeakPolarHBondContact O-CG 3.29Å; A21-K25 PolarHBondContact O-N 2.85Å; A22-K25 WeakPolarHBondContact O-CB 3.48Å; A22-K25 PolarHBondContact O-N 2.94Å; A22-K25 VanDerWaalsContact O-N 3.15Å; K25-L28 PolarHBondContact O-N 3.43Å; K25-A29 VanDerWaalsContact O-CB 3.27Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 3.31Å; K25-L36 HydrophobicContact CB-CD1 3.94Å; K25-L39 HydrophobicContact CB-CD2 3.76Å; K25-L39 HydrophobicContact CD-CD2 3.93Å; K25-L39 WeakPolarHBondContact CE-O 3.27Å; K25-L39 HydrophobicContact CG-CD2 3.49Å; K25-L39 VanDerWaalsContact CG-CD2 3.49Å; K25-L39 PolarHBondContact NZ-O 2.95Å; K25-L41 HydrophobicContact CD-CD1 4.4Å; K25-L41 HydrophobicContact CG-CD1 3.55Å; K25-L41 HydrophobicContact CG-CG 3.94Å; K25-D50 WeakPolarHBondContact CD-OD1 3.47Å; K25-D50 WeakPolarHBondContact CE-OD1 3.17Å; K25-D50 IonicContact NZ-OD1 2.62Å; K25-D50 PolarHBondContact NZ-OD1 2.96Å; K25-D50 IonicContact NZ-OD2 3.91Å |
| 26 | I | 94.1 | Very high | 92 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 41% | 0.41 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.3 | -66.3 | 165.7 | 0 | 0 | 0 | 110.5 | A22 D23 L28 A29 N30 L36 | A22-I26 WeakPolarHBondContact O-CG1 3.35Å; A22-I26 PolarHBondContact O-N 3.39Å; D23-I26 PolarHBondContact O-N 2.65Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.12Å; I26-A29 PolarHBondContact O-N 3.15Å; I26-N30 WeakPolarHBondContact O-CB 3.49Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.29Å; I26-L36 HydrophobicContact CG1-CD1 4.05Å; I26-L36 HydrophobicContact CG1-CD2 4.41Å |
| 27 | L | 93 | Very high | 92.1 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 177.1 | -177.1 | 158.3 | 0 | 0 | 0 | 111.2 | I13 C18 D23 L24 N30 K31 | I13-L27 HydrophobicContact CD1-CD2 4.09Å; C18-L27 VanDerWaalsContact SG-CD1 3.52Å; D23-L27 WeakPolarHBondContact O-CB 3.36Å; D23-L27 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 2.99Å; L27-N30 PolarHBondContact O-N 3.12Å; L27-K31 HydrophobicContact CD2-CD 3.68Å; L27-K31 HydrophobicContact CD2-CG 4.24Å; L27-K31 HydrophobicContact CG-CD 4.42Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 WeakPolarHBondContact O-CG 3.28Å; L27-K31 PolarHBondContact O-N 3.17Å |
| 28 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 178.9 | -70.8 | 175.2 | 0 | 0 | 0 | 112.4 | V5 L24 K25 I26 N30 K31 D32 L39 L41 V65 | V5-L28 HydrophobicContact CG1-CD1 3.96Å; V5-L28 HydrophobicContact CG1-CD2 4.09Å; L24-L28 HydrophobicContact CD2-CD1 3.41Å; L24-L28 VanDerWaalsContact CD2-CD1 3.41Å; L24-L28 HydrophobicContact CD2-CG 4.13Å; L24-L28 HydrophobicContact CG-CD1 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.03Å; K25-L28 PolarHBondContact O-N 3.43Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.12Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.44Å; L28-K31 PolarHBondContact O-N 3.25Å; L28-D32 WeakPolarHBondContact O-CB 3.36Å; L28-D32 PolarHBondContact O-N 3.03Å; L28-L39 HydrophobicContact CB-CD1 4.5Å; L28-L39 HydrophobicContact CD1-CD2 4.44Å; L28-L41 HydrophobicContact CD1-CD2 4.04Å; L28-V65 HydrophobicContact CD1-CB 4.31Å; L28-V65 HydrophobicContact CD1-CG1 3.93Å; L28-V65 HydrophobicContact CD1-CG2 3.37Å |
| 29 | A | 93.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K25 I26 N33 L34 L36 | K25-A29 VanDerWaalsContact O-CB 3.27Å; K25-A29 WeakPolarHBondContact O-CB 3.42Å; K25-A29 PolarHBondContact O-N 3.31Å; I26-A29 PolarHBondContact O-N 3.15Å; A29-N33 WeakPolarHBondContact O-CA 3.38Å; A29-N33 PolarHBondContact O-N 3.24Å; A29-L34 WeakPolarHBondContact CA-O 3.29Å; A29-L34 WeakPolarHBondContact CB-O 3.29Å; A29-L34 PolarHBondContact O-N 3.47Å; A29-L36 HydrophobicContact CB-CB 4.17Å; A29-L36 HydrophobicContact CB-CD1 4.11Å |
| 30 | N | 92.7 | Very high | 92.4 | Very high | 121 Ų | 121 | 54.4 Ų | 54.4 | 65% | 0.647 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -72.5 | -40.6 | 178.9 | -69.8 | -27.2 | 0 | 0 | 0 | 113.5 | I26 L27 L28 | I26-N30 WeakPolarHBondContact O-CB 3.49Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.29Å; L27-N30 PolarHBondContact O-N 3.12Å; L28-N30 VanDerWaalsContact C-N 3.28Å; L28-N30 PolarHBondContact O-N 3.44Å |
| 31 | K | 91.7 | Very high | 92.4 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.8 | -41.3 | -178.1 | -75 | -168 | -178.1 | 179 | 0 | 113 | L27 L28 | L27-K31 HydrophobicContact CD2-CD 3.68Å; L27-K31 HydrophobicContact CD2-CG 4.24Å; L27-K31 HydrophobicContact CG-CD 4.42Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 WeakPolarHBondContact O-CG 3.28Å; L27-K31 PolarHBondContact O-N 3.17Å; L28-K31 PolarHBondContact O-N 3.25Å |
| 32 | D | 90.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -103.8 | 4.1 | -171 | -64.7 | -10.5 | 0 | 0 | 0 | 112.4 | S7 F8 R11 L28 L34 | S7-D32 WeakPolarHBondContact CB-OD2 3.49Å; S7-D32 PolarHBondContact OG-OD2 3.24Å; F8-D32 HydrophobicContact CD2-CB 3.88Å; F8-D32 HydrophobicContact CE2-CB 3.93Å; R11-D32 IonicContact CZ-OD1 2.72Å; R11-D32 IonicContact NH1-OD1 3.55Å; R11-D32 PolarHBondContact NH1-OD1 3.19Å; R11-D32 IonicContact NH1-OD2 3.1Å; R11-D32 IonicContact NH2-OD1 2.73Å; R11-D32 PolarHBondContact NH2-OD1 2.9Å; L28-D32 WeakPolarHBondContact O-CB 3.36Å; L28-D32 PolarHBondContact O-N 3.03Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 HydrophobicContact CB-CD1 3.82Å; D32-L34 HydrophobicContact CB-CG 3.74Å; D32-L34 PolarHBondContact O-N 3.26Å |
| 33 | N | 90.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 55.4 Ų | 55.4 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.7 | -175.3 | -64.3 | -61.9 | 0 | 0 | 0 | 112.9 | A29 | A29-N33 WeakPolarHBondContact O-CA 3.38Å; A29-N33 PolarHBondContact O-N 3.24Å |
| 34 | L | 89.4 | Confident | 92 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | trans | -91.7 | 145.7 | -179.4 | -61.4 | 174.5 | 0 | 0 | 0 | 111 | F8 A29 D32 L36 L39 V65 V67 | F8-L34 HydrophobicContact CE2-CD2 3.74Å; F8-L34 HydrophobicContact CE2-CG 4.36Å; F8-L34 HydrophobicContact CZ-CD2 3.94Å; A29-L34 WeakPolarHBondContact CA-O 3.29Å; A29-L34 WeakPolarHBondContact CB-O 3.29Å; A29-L34 PolarHBondContact O-N 3.47Å; D32-L34 VanDerWaalsContact C-N 3.25Å; D32-L34 HydrophobicContact CB-CD1 3.82Å; D32-L34 HydrophobicContact CB-CG 3.74Å; D32-L34 PolarHBondContact O-N 3.26Å; L34-L36 PolarHBondContact O-N 3.09Å; L34-L36 VanDerWaalsContact O-N 3.14Å; L34-L39 HydrophobicContact CB-CD1 3.55Å; L34-L39 HydrophobicContact CD1-CD1 3.51Å; L34-L39 HydrophobicContact CG-CD1 4.17Å; L34-V65 HydrophobicContact CD1-CG1 4.11Å; L34-V67 HydrophobicContact CB-CG2 4.22Å; L34-V67 HydrophobicContact CD1-CG2 4.23Å; L34-V67 HydrophobicContact CD2-CG2 4Å; L34-V67 HydrophobicContact CG-CG2 4.37Å | ||
| 35 | P | 90.9 | Very high | 91.8 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | trans | -68.3 | 112.3 | 177.3 | 27.6 | -33.9 | 0 | 0 | 0 | 110.7 | D37 S38 L39 V67 | P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 PolarHBondContact O-N 2.87Å; P35-S38 PolarHBondContact O-N 3.15Å; P35-S38 VanDerWaalsContact O-N 3.17Å; P35-L39 PolarHBondContact O-N 2.96Å; P35-V67 HydrophobicContact CG-CG1 3.61Å | ||
| 36 | L | 90.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 64.2 Ų | 64.2 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -52.7 | -44.7 | -177.5 | -177.6 | 63.4 | 0 | 0 | 0 | 112.3 | K25 I26 A29 L34 S38 L39 | K25-L36 HydrophobicContact CB-CD1 3.94Å; I26-L36 HydrophobicContact CG1-CD1 4.05Å; I26-L36 HydrophobicContact CG1-CD2 4.41Å; A29-L36 HydrophobicContact CB-CB 4.17Å; A29-L36 HydrophobicContact CB-CD1 4.11Å; L34-L36 PolarHBondContact O-N 3.09Å; L34-L36 VanDerWaalsContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.42Å; L36-L39 PolarHBondContact O-N 2.78Å |
| 37 | D | 89.5 | Confident | 91.6 | Very high | 163 Ų | 163 | 64.8 Ų | 64.8 | 87% | 0.872 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -65.6 | -28.1 | -175.2 | -64.1 | -10.1 | 0 | 0 | 0 | 113.7 | P35 | P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 PolarHBondContact O-N 2.87Å |
| 38 | S | 89.8 | Confident | 91.6 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -99.3 | -7.8 | -178.4 | -58 | 0 | 0 | 0 | 0 | 112.6 | P35 L36 Q40 P68 | P35-S38 PolarHBondContact O-N 3.15Å; P35-S38 VanDerWaalsContact O-N 3.17Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.42Å; S38-Q40 PolarHBondContact O-N 3.39Å; S38-P68 WeakPolarHBondContact O-CD 3.41Å |
| 39 | L | 92.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | trans | -73.6 | 124.4 | -172.1 | -163.7 | 126.8 | 0 | 0 | 0 | 111.2 | K25 L28 L34 P35 L36 L41 V65 V67 | K25-L39 HydrophobicContact CB-CD2 3.76Å; K25-L39 HydrophobicContact CD-CD2 3.93Å; K25-L39 WeakPolarHBondContact CE-O 3.27Å; K25-L39 HydrophobicContact CG-CD2 3.49Å; K25-L39 VanDerWaalsContact CG-CD2 3.49Å; K25-L39 PolarHBondContact NZ-O 2.95Å; L28-L39 HydrophobicContact CB-CD1 4.5Å; L28-L39 HydrophobicContact CD1-CD2 4.44Å; L34-L39 HydrophobicContact CB-CD1 3.55Å; L34-L39 HydrophobicContact CD1-CD1 3.51Å; L34-L39 HydrophobicContact CG-CD1 4.17Å; P35-L39 PolarHBondContact O-N 2.96Å; L36-L39 PolarHBondContact O-N 2.78Å; L39-L41 HydrophobicContact CD2-CD2 3.91Å; L39-L41 HydrophobicContact CD2-CG 4.26Å; L39-V65 HydrophobicContact CD1-CG1 3.84Å; L39-V65 HydrophobicContact CD2-CG1 4.18Å; L39-V65 HydrophobicContact CG-CG1 4.01Å; L39-V67 HydrophobicContact CD1-CG2 4.09Å; L39-V67 HydrophobicContact CG-CG2 4.45Å | ||
| 40 | Q | 93.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.5 | 179.7 | -65.4 | 177.2 | -16.6 | 0 | 0 | 109.6 | S38 Y42 L47 V66 | S38-Q40 PolarHBondContact O-N 3.39Å; Q40-Y42 HydrophobicContact CB-CD2 4.33Å; Q40-Y42 HydrophobicContact CB-CE2 3.69Å; Q40-Y42 PolarHBondContact OE1-OH 2.76Å; Q40-L47 HydrophobicContact CB-CD1 3.99Å; Q40-L47 HydrophobicContact CG-CD1 4.33Å; Q40-V66 PolarHBondContact N-O 3.48Å; Q40-V66 PolarHBondContact O-N 2.82Å |
| 41 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.6 | 179.3 | -62.3 | 175.2 | 0 | 0 | 0 | 108.4 | A21 L24 K25 L28 L39 I48 I63 V65 | A21-L41 HydrophobicContact CB-CD1 4.09Å; L24-L41 HydrophobicContact CD2-CD1 3.53Å; L24-L41 HydrophobicContact CD2-CD2 3.55Å; L24-L41 HydrophobicContact CD2-CG 4.18Å; K25-L41 HydrophobicContact CD-CD1 4.4Å; K25-L41 HydrophobicContact CG-CD1 3.55Å; K25-L41 HydrophobicContact CG-CG 3.94Å; L28-L41 HydrophobicContact CD1-CD2 4.04Å; L39-L41 HydrophobicContact CD2-CD2 3.91Å; L39-L41 HydrophobicContact CD2-CG 4.26Å; L41-I48 HydrophobicContact CB-CB 4.1Å; L41-I48 HydrophobicContact CB-CD1 4.31Å; L41-I48 PolarHBondContact O-N 3.44Å; L41-I63 HydrophobicContact CB-CG2 4.02Å; L41-I63 HydrophobicContact CD2-CG2 3.98Å; L41-I63 HydrophobicContact CG-CG2 4.47Å; L41-V65 HydrophobicContact CD2-CB 4.47Å; L41-V65 HydrophobicContact CD2-CG1 4.39Å; L41-V65 HydrophobicContact CD2-CG2 3.89Å |
| 42 | Y | 94.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.2 | 179.8 | -73 | -90.4 | 0 | 0 | 0 | 110.9 | Q40 S46 L47 I63 D64 V66 | Q40-Y42 HydrophobicContact CB-CD2 4.33Å; Q40-Y42 HydrophobicContact CB-CE2 3.69Å; Q40-Y42 PolarHBondContact OE1-OH 2.76Å; Y42-S46 CarbonylContact C-O 3.53Å; Y42-S46 VanDerWaalsContact CA-O 3.28Å; Y42-S46 WeakPolarHBondContact CA-O 3.38Å; Y42-L47 HydrophobicContact CD1-CB 4.33Å; Y42-L47 HydrophobicContact CE1-CB 3.95Å; Y42-L47 HydrophobicContact CE1-CD1 4.08Å; Y42-L47 HydrophobicContact CE2-CD1 4.05Å; Y42-I63 CarbonylContact O-C 3.51Å; Y42-I63 VanDerWaalsContact O-CA 3.29Å; Y42-I63 WeakPolarHBondContact O-CA 3.28Å; Y42-D64 PolarHBondContact N-O 3.16Å; Y42-D64 PolarHBondContact O-N 3.14Å; Y42-V66 HydrophobicContact CD2-CB 4.17Å; Y42-V66 HydrophobicContact CD2-CG2 3.8Å; Y42-V66 HydrophobicContact CE2-CB 4.11Å; Y42-V66 HydrophobicContact CE2-CG2 4.13Å |
| 43 | N | 91.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 67 Ų | 67 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120 | 165.6 | 175 | 13.2 | 0 | 0 | 0 | 108.5 | G45 S46 I48 L57 T61 | N43-G45 PolarHBondContact O-N 2.94Å; N43-G45 VanDerWaalsContact O-N 3.1Å; N43-S46 PolarHBondContact N-O 2.99Å; N43-S46 WeakPolarHBondContact O-CB 3.08Å; N43-S46 PolarHBondContact O-N 3.38Å; N43-I48 HydrophobicContact CB-CD1 3.75Å; N43-I48 HydrophobicContact CB-CG1 4.07Å; N43-L57 WeakPolarHBondContact ND2-CD2 3.24Å; N43-T61 HydrophobicContact CB-CG2 4.12Å; N43-T61 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T61 WeakPolarHBondContact OD1-CG2 3.07Å |
| 44 | C | 87.6 | Confident | 91.5 | Very high | 120 Ų | 120 | 60 Ų | 60 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.9 | -180 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | S46 | C44-S46 VanDerWaalsContact C-N 3.29Å; C44-S46 PolarHBondContact O-N 3.47Å |
| 45 | G | 88.2 | Confident | 91.5 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N43 | N43-G45 PolarHBondContact O-N 2.94Å; N43-G45 VanDerWaalsContact O-N 3.1Å |
| 46 | S | 90.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.9 | 172.8 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | Y42 N43 C44 I48 | Y42-S46 CarbonylContact C-O 3.53Å; Y42-S46 VanDerWaalsContact CA-O 3.28Å; Y42-S46 WeakPolarHBondContact CA-O 3.38Å; N43-S46 PolarHBondContact N-O 2.99Å; N43-S46 WeakPolarHBondContact O-CB 3.08Å; N43-S46 PolarHBondContact O-N 3.38Å; C44-S46 VanDerWaalsContact C-N 3.29Å; C44-S46 PolarHBondContact O-N 3.47Å; S46-I48 PolarHBondContact O-N 2.62Å |
| 47 | L | 93.7 | Very high | 91.1 | Very high | 92 Ų | 92 | 59.2 Ų | 59.2 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.1 | 176.4 | -177.5 | 70.5 | 0 | 0 | 0 | 110 | Q40 Y42 | Q40-L47 HydrophobicContact CB-CD1 3.99Å; Q40-L47 HydrophobicContact CG-CD1 4.33Å; Y42-L47 HydrophobicContact CD1-CB 4.33Å; Y42-L47 HydrophobicContact CE1-CB 3.95Å; Y42-L47 HydrophobicContact CE1-CD1 4.08Å; Y42-L47 HydrophobicContact CE2-CD1 4.05Å |
| 48 | I | 93.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 124.4 | 172.9 | -64.1 | 165.8 | 0 | 0 | 0 | 108.1 | A21 L41 N43 S46 Q52 L57 I63 | A21-I48 HydrophobicContact CB-CG2 3.49Å; A21-I48 VanDerWaalsContact CB-CG2 3.49Å; L41-I48 HydrophobicContact CB-CB 4.1Å; L41-I48 HydrophobicContact CB-CD1 4.31Å; L41-I48 PolarHBondContact O-N 3.44Å; N43-I48 HydrophobicContact CB-CD1 3.75Å; N43-I48 HydrophobicContact CB-CG1 4.07Å; S46-I48 PolarHBondContact O-N 2.62Å; I48-Q52 HydrophobicContact CG2-CB 3.95Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; I48-L57 HydrophobicContact CD1-CD1 4.34Å; I48-I63 HydrophobicContact CD1-CD1 4.21Å; I48-I63 HydrophobicContact CD1-CG1 4.04Å; I48-I63 HydrophobicContact CD1-CG2 4.05Å |
| 49 | S | 93.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 152.4 | 176.4 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | A21 S51 Q52 | A21-S49 VanDerWaalsContact CB-O 3.28Å; A21-S49 WeakPolarHBondContact CB-O 3.47Å; S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.14Å; S49-Q52 VanDerWaalsContact O-CB 3.28Å; S49-Q52 WeakPolarHBondContact O-CB 3.41Å; S49-Q52 PolarHBondContact O-N 3.33Å |
| 50 | D | 92.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.3 | -175.2 | -67.4 | -21.3 | 0 | 0 | 0 | 113.7 | T20 A22 K25 | T20-D50 WeakPolarHBondContact CG2-O 3.39Å; A22-D50 HydrophobicContact CB-CB 4.28Å; A22-D50 WeakPolarHBondContact CB-O 3.04Å; A22-D50 PolarHBondContact N-O 2.88Å; A22-D50 VanDerWaalsContact N-O 3.16Å; K25-D50 WeakPolarHBondContact CD-OD1 3.47Å; K25-D50 WeakPolarHBondContact CE-OD1 3.17Å; K25-D50 IonicContact NZ-OD1 2.62Å; K25-D50 PolarHBondContact NZ-OD1 2.96Å; K25-D50 IonicContact NZ-OD2 3.91Å |
| 51 | S | 91.8 | Very high | 89.4 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 72% | 0.72 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.3 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 114 | S49 S53 | S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.14Å; S51-S53 PolarHBondContact O-N 3.36Å |
| 52 | Q | 91.9 | Very high | 89.2 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | trans | -74.6 | 129.4 | -175.4 | -171.4 | 170.5 | -3.7 | 0 | 0 | 110.7 | T20 A21 I48 S49 | T20-Q52 WeakPolarHBondContact CG2-O 3.27Å; A21-Q52 PolarHBondContact N-O 3.28Å; I48-Q52 HydrophobicContact CG2-CB 3.95Å; I48-Q52 HydrophobicContact CG2-CG 4.37Å; S49-Q52 VanDerWaalsContact O-CB 3.28Å; S49-Q52 WeakPolarHBondContact O-CB 3.41Å; S49-Q52 PolarHBondContact O-N 3.33Å | ||
| 53 | S | 92.3 | Very high | 89.2 | Confident | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -70.7 | 128.9 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | P19 S51 A55 S56 | P19-S53 WeakPolarHBondContact O-CA 3.28Å; P19-S53 PolarHBondContact O-OG 3.14Å; S51-S53 PolarHBondContact O-N 3.36Å; S53-A55 PolarHBondContact O-N 3.27Å; S53-A55 PolarHBondContact OG-N 2.88Å; S53-S56 PolarHBondContact O-N 3.38Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 2.87Å |
| 54 | L | 89.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -69.4 | -23.1 | 178 | -63.3 | -179.4 | 0 | 0 | 0 | 112.2 | T15 C18 P19 A21 L24 S56 L57 I63 | T15-L54 HydrophobicContact CG2-CB 3.84Å; C18-L54 HydrophobicContact CB-CD1 4.35Å; C18-L54 WeakPolarHBondContact O-CD1 3.35Å; P19-L54 PolarHBondContact O-N 3.36Å; A21-L54 HydrophobicContact CB-CD2 4.31Å; L24-L54 HydrophobicContact CB-CD1 3.84Å; L24-L54 HydrophobicContact CD1-CD1 3.37Å; L24-L54 HydrophobicContact CD1-CD2 4.45Å; L24-L54 HydrophobicContact CG-CD1 4.26Å; L54-S56 PolarHBondContact O-N 2.83Å; L54-L57 HydrophobicContact CB-CD1 4.42Å; L54-L57 HydrophobicContact CD2-CD1 3.69Å; L54-L57 WeakPolarHBondContact O-CB 3.39Å; L54-L57 PolarHBondContact O-N 2.72Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å |
| 55 | A | 88.7 | Confident | 89.6 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -69.4 | -18.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S53 L57 | S53-A55 PolarHBondContact O-N 3.27Å; S53-A55 PolarHBondContact OG-N 2.88Å; A55-L57 VanDerWaalsContact C-N 3.26Å |
| 56 | S | 88.6 | Confident | 89.8 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 58% | 0.58 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -81.1 | -8.2 | 176.4 | 83.9 | 0 | 0 | 0 | 0 | 113 | S53 L54 | S53-S56 PolarHBondContact O-N 3.38Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 2.87Å; L54-S56 PolarHBondContact O-N 2.83Å |
| 57 | L | 85.5 | Confident | 89.8 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -79.3 | 163.4 | 176.7 | -60.6 | 165.4 | 0 | 0 | 0 | 109.5 | M1 N43 I48 L54 A55 T61 I63 | M1-L57 HydrophobicContact CE-CB 4.17Å; M1-L57 WeakPolarHBondContact CE-O 3Å; N43-L57 WeakPolarHBondContact ND2-CD2 3.24Å; I48-L57 HydrophobicContact CD1-CD1 4.34Å; L54-L57 HydrophobicContact CB-CD1 4.42Å; L54-L57 HydrophobicContact CD2-CD1 3.69Å; L54-L57 WeakPolarHBondContact O-CB 3.39Å; L54-L57 PolarHBondContact O-N 2.72Å; A55-L57 VanDerWaalsContact C-N 3.26Å; L57-T61 HydrophobicContact CB-CG2 4.25Å; L57-T61 HydrophobicContact CD1-CG2 4.3Å; L57-I63 HydrophobicContact CD1-CD1 4.06Å |
| 58 | S | 84.4 | Confident | 89.5 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | trans | -72.5 | 150.9 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | M1 D60 T61 | M1-S58 WeakPolarHBondContact CE-O 3.42Å; S58-D60 PolarHBondContact O-N 3.13Å; S58-T61 PolarHBondContact N-OG1 2.98Å; S58-T61 VanDerWaalsContact N-OG1 3.13Å; S58-T61 VanDerWaalsContact O-CB 3.24Å; S58-T61 WeakPolarHBondContact O-CB 3.43Å; S58-T61 PolarHBondContact O-N 2.9Å; S58-T61 PolarHBondContact O-OG1 3.03Å; S58-T61 PolarHBondContact OG-OG1 3.19Å | ||
| 59 | S | 77.2 | Confident | 88.8 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.5 | -174 | 50 | 0 | 0 | 0 | 0 | 114.8 | K2 | K2-S59 VanDerWaalsContact O-O 3.05Š|
| 60 | D | 81.8 | Confident | 87.9 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 71% | 0.711 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 23.6 | -179.2 | -57.5 | -33.5 | 0 | 0 | 0 | 112.2 | S58 S62 | S58-D60 PolarHBondContact O-N 3.13Å; D60-S62 PolarHBondContact O-N 2.86Å |
| 61 | T | 85.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.025 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 128.4 | 179.7 | -65.5 | 0 | 0 | 0 | 0 | 111 | F4 N43 L57 S58 I63 | F4-T61 PolarHBondContact N-O 3.26Å; F4-T61 VanDerWaalsContact N-O 3.15Å; N43-T61 HydrophobicContact CB-CG2 4.12Å; N43-T61 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T61 WeakPolarHBondContact OD1-CG2 3.07Å; L57-T61 HydrophobicContact CB-CG2 4.25Å; L57-T61 HydrophobicContact CD1-CG2 4.3Å; S58-T61 PolarHBondContact N-OG1 2.98Å; S58-T61 VanDerWaalsContact N-OG1 3.13Å; S58-T61 VanDerWaalsContact O-CB 3.24Å; S58-T61 WeakPolarHBondContact O-CB 3.43Å; S58-T61 PolarHBondContact O-N 2.9Å; S58-T61 PolarHBondContact O-OG1 3.03Å; S58-T61 PolarHBondContact OG-OG1 3.19Å; T61-I63 HydrophobicContact CG2-CG1 4.04Å |
| 62 | S | 91.2 | Very high | 85.6 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.5 | 164.7 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | F4 K6 D60 | F4-S62 CarbonylContact O-C 3.5Å; F4-S62 VanDerWaalsContact O-CA 3.29Å; F4-S62 WeakPolarHBondContact O-CA 2.98Å; K6-S62 PolarHBondContact NZ-OG 3.39Å; D60-S62 PolarHBondContact O-N 2.86Å |
| 63 | I | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.4 | 176.8 | -58.1 | 175.6 | 0 | 0 | 0 | 108.5 | V3 F4 V5 K6 L24 L41 Y42 I48 L54 L57 T61 | V3-I63 HydrophobicContact CB-CD1 4.26Å; V3-I63 HydrophobicContact CG2-CD1 4.27Å; F4-I63 PolarHBondContact O-N 3Å; V5-I63 WeakPolarHBondContact CA-O 3.5Å; V5-I63 HydrophobicContact CG2-CB 4.41Å; K6-I63 PolarHBondContact N-O 3.19Å; L24-I63 HydrophobicContact CD1-CD1 4.11Å; L41-I63 HydrophobicContact CB-CG2 4.02Å; L41-I63 HydrophobicContact CD2-CG2 3.98Å; L41-I63 HydrophobicContact CG-CG2 4.47Å; Y42-I63 CarbonylContact O-C 3.51Å; Y42-I63 VanDerWaalsContact O-CA 3.29Å; Y42-I63 WeakPolarHBondContact O-CA 3.28Å; I48-I63 HydrophobicContact CD1-CD1 4.21Å; I48-I63 HydrophobicContact CD1-CG1 4.04Å; I48-I63 HydrophobicContact CD1-CG2 4.05Å; L54-I63 HydrophobicContact CD2-CD1 3.85Å; L57-I63 HydrophobicContact CD1-CD1 4.06Å; T61-I63 HydrophobicContact CG2-CG1 4.04Å |
| 64 | D | 94.2 | Very high | 83.4 | Confident | 59 Ų | 59 | 71 Ų | 71 | 32% | 0.316 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.5 | 174.3 | -62.7 | -39.5 | 0 | 0 | 0 | 109.8 | K6 Y42 | K6-D64 VanDerWaalsContact CD-OD1 3.27Å; K6-D64 WeakPolarHBondContact CD-OD1 3.28Å; Y42-D64 PolarHBondContact N-O 3.16Å; Y42-D64 PolarHBondContact O-N 3.14Å |
| 65 | V | 93.7 | Very high | 82.5 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 14% | 0.139 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.5 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | V5 K6 L28 L34 L39 L41 | V5-V65 HydrophobicContact CG1-CG2 3.51Å; K6-V65 PolarHBondContact O-N 3.5Å; L28-V65 HydrophobicContact CD1-CB 4.31Å; L28-V65 HydrophobicContact CD1-CG1 3.93Å; L28-V65 HydrophobicContact CD1-CG2 3.37Å; L34-V65 HydrophobicContact CD1-CG1 4.11Å; L39-V65 HydrophobicContact CD1-CG1 3.84Å; L39-V65 HydrophobicContact CD2-CG1 4.18Å; L39-V65 HydrophobicContact CG-CG1 4.01Å; L41-V65 HydrophobicContact CD2-CB 4.47Å; L41-V65 HydrophobicContact CD2-CG1 4.39Å; L41-V65 HydrophobicContact CD2-CG2 3.89Å |
| 66 | V | 92.7 | Very high | 81.9 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.7 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | Q40 Y42 | Q40-V66 PolarHBondContact N-O 3.48Å; Q40-V66 PolarHBondContact O-N 2.82Å; Y42-V66 HydrophobicContact CD2-CB 4.17Å; Y42-V66 HydrophobicContact CD2-CG2 3.8Å; Y42-V66 HydrophobicContact CE2-CB 4.11Å; Y42-V66 HydrophobicContact CE2-CG2 4.13Å |
| 67 | V | 90.5 | Very high | 81.6 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | trans | -110.8 | 108.3 | 166.2 | 180 | 0 | 0 | 0 | 0 | 107.5 | L34 P35 L39 A69 | L34-V67 HydrophobicContact CB-CG2 4.22Å; L34-V67 HydrophobicContact CD1-CG2 4.23Å; L34-V67 HydrophobicContact CD2-CG2 4Å; L34-V67 HydrophobicContact CG-CG2 4.37Å; P35-V67 HydrophobicContact CG-CG1 3.61Å; L39-V67 HydrophobicContact CD1-CG2 4.09Å; L39-V67 HydrophobicContact CG-CG2 4.45Å; V67-A69 PolarHBondContact O-N 3.4Å | ||
| 68 | P | 86.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 130 | -178.5 | 27.7 | -31 | 0 | 0 | 0 | 109.6 | S38 L70 | S38-P68 WeakPolarHBondContact O-CD 3.41Å; P68-L70 PolarHBondContact O-N 2.86Å |
| 69 | A | 79.7 | Confident | 81.6 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 132.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V67 G71 | V67-A69 PolarHBondContact O-N 3.4Å; A69-G71 PolarHBondContact O-N 3.1Å |
| 70 | L | 73.9 | Confident | 82 | Confident | 170 Ų | 170 | 93.5 Ų | 93.5 | 89% | 0.89 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -62.9 | 118.7 | 173.1 | -62.9 | 175.9 | 0 | 0 | 0 | 108.8 | P68 | P68-L70 PolarHBondContact O-N 2.86Š|
| 71 | G | 69.2 | Low | 82.5 | Confident | 76 Ų | 76 | 91 Ų | 91 | 78% | 0.784 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 102 | 73.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A69 | A69-G71 PolarHBondContact O-N 3.1Š|
| 72 | G | 67 | Low | 82.8 | Confident | 61 Ų | 61 | 93.4 Ų | 93.4 | 63% | 0.629 | 58% | 0.58 | S | S | * | * | trans | -68.7 | 168.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V74 | G72-V74 PolarHBondContact O-N 2.89Š| ||
| 73 | K | 68.6 | Low | 83 | Confident | 225 Ų | 225 | 97.7 Ų | 97.7 | 98% | 0.978 | 60% | 0.595 | S | S | * | * | trans | -64.4 | 94.6 | 172.4 | -70.2 | -179.2 | -178.6 | 175 | 0 | 110 | ||||
| 74 | V | 69.7 | Low | 83 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 79% | 0.788 | 63% | 0.627 | S | S | * | * | trans | -82.8 | 121.4 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | G72 | G72-V74 PolarHBondContact O-N 2.89Š| ||
| 75 | H | 71.3 | Confident | 83.1 | Confident | 196 Ų | 196 | 110.8 Ų | 110.8 | 91% | 0.907 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -76.5 | 141.8 | 173.2 | -173.5 | 73.9 | 0 | 0 | 0 | 110.6 | ||
| 76 | G | 75.3 | Confident | 83 | Confident | 55 Ų | 55 | 113.1 Ų | 113.1 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 88.9 | 82.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 77 | S | 81.4 | Confident | 83.2 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | trans | -69.7 | 146.4 | 178.2 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | A79 | S77-A79 PolarHBondContact O-N 3.1Å; S77-A79 VanDerWaalsContact O-N 3.1Å | ||
| 78 | L | 85.3 | Confident | 83.4 | Confident | 159 Ų | 159 | 118.2 Ų | 118.2 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -69 | 0.5 | 174 | -76.9 | 162.5 | 0 | 0 | 0 | 113.8 | R80 A81 | L78-R80 PolarHBondContact O-N 3.3Å; L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.35Å; L78-A81 VanDerWaalsContact O-N 3.11Å |
| 79 | A | 84.5 | Confident | 83.9 | Confident | 87 Ų | 87 | 120.4 Ų | 120.4 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -60.9 | -21 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S77 | S77-A79 PolarHBondContact O-N 3.1Å; S77-A79 VanDerWaalsContact O-N 3.1Å |
| 80 | R | 85.8 | Confident | 84.6 | Confident | 202 Ų | 202 | 125.9 Ų | 125.9 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -99.7 | 2.2 | -178.8 | -63 | -174.5 | -66 | -178.6 | -0.1 | 113.9 | L78 G82 K83 | L78-R80 PolarHBondContact O-N 3.3Å; R80-G82 PolarHBondContact O-N 3.27Å; R80-K83 PolarHBondContact O-N 3.11Å |
| 81 | A | 92 | Very high | 85.6 | Confident | 81 Ų | 81 | 123.7 Ų | 123.7 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 127.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L78 K83 | L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.35Å; L78-A81 VanDerWaalsContact O-N 3.11Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.05Å |
| 82 | G | 92.3 | Very high | 86.9 | Confident | 53 Ų | 53 | 128.3 Ų | 128.3 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 77.3 | 1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R80 V84 R85 G86 | R80-G82 PolarHBondContact O-N 3.27Å; G82-V84 PolarHBondContact O-N 2.99Å; G82-R85 PolarHBondContact O-N 3.11Å; G82-R85 VanDerWaalsContact O-N 3.11Å; G82-G86 PolarHBondContact O-N 3.31Å |
| 83 | K | 95.2 | Very high | 88.2 | Confident | 123 Ų | 123 | 135.2 Ų | 135.2 | 54% | 0.535 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -48.5 | -54.2 | -177.5 | -178.7 | -179.7 | 177.6 | -179 | 0 | 113 | R80 A81 R85 G86 Q87 | R80-K83 PolarHBondContact O-N 3.11Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.05Å; K83-R85 PolarHBondContact O-N 3.33Å; K83-G86 PolarHBondContact O-N 3.45Å; K83-Q87 VanDerWaalsContact CE-NE2 3.34Å; K83-Q87 WeakPolarHBondContact O-CB 3.5Å; K83-Q87 VanDerWaalsContact O-CG 3.3Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 3.07Å |
| 84 | V | 95.5 | Very high | 89.4 | Confident | 109 Ų | 109 | 132.1 Ų | 132.1 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -66.7 | -38.3 | -176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | G82 G86 Q87 T88 | G82-V84 PolarHBondContact O-N 2.99Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-G86 PolarHBondContact O-N 2.74Å; V84-Q87 PolarHBondContact O-N 3.25Å; V84-T88 WeakPolarHBondContact O-CB 3.3Å; V84-T88 PolarHBondContact O-N 3.41Å; V84-T88 PolarHBondContact O-OG1 3.45Å |
| 85 | R | 94.4 | Very high | 90.5 | Very high | 225 Ų | 225 | 135.4 Ų | 135.4 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -65.7 | -36 | 178.9 | -172.7 | 177.3 | 179.8 | -177.7 | -0.6 | 111.9 | G82 K83 | G82-R85 PolarHBondContact O-N 3.11Å; G82-R85 VanDerWaalsContact O-N 3.11Å; K83-R85 PolarHBondContact O-N 3.33Å |
| 86 | G | 93.4 | Very high | 91.5 | Very high | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -77.7 | -30.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | G82 K83 V84 | G82-G86 PolarHBondContact O-N 3.31Å; K83-G86 PolarHBondContact O-N 3.45Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-G86 PolarHBondContact O-N 2.74Å |
| 87 | Q | 95.9 | Very high | 92.4 | Very high | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -80.2 | -22.6 | 179.1 | -72.1 | -177.7 | -16.1 | 0 | 0 | 113.7 | K83 V84 | K83-Q87 VanDerWaalsContact CE-NE2 3.34Å; K83-Q87 WeakPolarHBondContact O-CB 3.5Å; K83-Q87 VanDerWaalsContact O-CG 3.3Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 3.07Å; V84-Q87 PolarHBondContact O-N 3.25Å |
| 88 | T | 95.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 147.7 Ų | 147.7 | 53% | 0.534 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -78.2 | 121.7 | -178.3 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | V84 K90 | V84-T88 WeakPolarHBondContact O-CB 3.3Å; V84-T88 PolarHBondContact O-N 3.41Å; V84-T88 PolarHBondContact O-OG1 3.45Å; T88-K90 PolarHBondContact O-N 3.37Å |
| 89 | P | 95.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 143.9 Ų | 143.9 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -59.8 | 135.8 | 179.6 | 25.2 | -34.1 | 0 | 0 | 0 | 110.6 | V91 | P89-V91 PolarHBondContact O-N 3.23Š| ||
| 90 | K | 94.9 | Very high | 93.7 | Very high | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 83.2 | -179.1 | -167.6 | 177 | -177.8 | -174.9 | 0 | 110.1 | T88 E92 | T88-K90 PolarHBondContact O-N 3.37Å; K90-E92 PolarHBondContact O-N 3.02Å | ||
| 91 | V | 95.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -66.9 | 117.5 | 178 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | P89 | P89-V91 PolarHBondContact O-N 3.23Š| ||
| 92 | E | 94.6 | Very high | 94.4 | Very high | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | -64.6 | 145.6 | 176.8 | -65.2 | -169.3 | 163.1 | 0 | 0 | 111.4 | K90 Q94 | K90-E92 PolarHBondContact O-N 3.02Å; E92-Q94 PolarHBondContact O-N 2.98Å | ||
| 93 | K | 95.2 | Very high | 94.6 | Very high | 205 Ų | 205 | 148.3 Ų | 148.3 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 113.9 | 177.7 | -69.2 | 179.9 | -178.8 | 174.3 | 0 | 108.6 | E95 | K93-E95 PolarHBondContact O-N 3.48Š| ||
| 94 | Q | 93.6 | Very high | 94.7 | Very high | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -61 | 135.6 | 169.9 | -64.5 | 174.3 | 6.1 | 0 | 0 | 110.2 | E92 K96 | E92-Q94 PolarHBondContact O-N 2.98Å; Q94-K96 PolarHBondContact O-N 3.26Å | ||
| 95 | E | 92.2 | Very high | 94.8 | Very high | 200 Ų | 200 | 145.5 Ų | 145.5 | 94% | 0.935 | 72% | 0.715 | S | S | * | * | trans | -65.5 | 121.2 | 173.4 | -65.5 | -165 | 164.3 | 0 | 0 | 110.2 | K93 | K93-E95 PolarHBondContact O-N 3.48Š| ||
| 96 | K | 93.6 | Very high | 94.9 | Very high | 179 Ų | 179 | 143.1 Ų | 143.1 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | trans | -111.3 | 141.6 | 174.3 | -67.7 | -179.8 | -179.1 | 178.3 | 0 | 109 | Q94 K98 | Q94-K96 PolarHBondContact O-N 3.26Å; K96-K98 PolarHBondContact O-N 3.35Å | ||
| 97 | K | 93.6 | Very high | 95.1 | Very high | 210 Ų | 210 | 146.8 Ų | 146.8 | 91% | 0.913 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 134.1 | 174.4 | -66.2 | -176.2 | -179.4 | -179.1 | 0 | 110 | S99 | K97-S99 PolarHBondContact O-N 3.21Š|
| 98 | K | 92.5 | Very high | 95 | Very high | 211 Ų | 211 | 145.8 Ų | 145.8 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124.3 | 176.8 | -68.4 | -179.3 | -177.9 | 174.4 | 0 | 108.8 | K96 | K96-K98 PolarHBondContact O-N 3.35Š|
| 99 | S | 92 | Very high | 94.9 | Very high | 79 Ų | 79 | 144.3 Ų | 144.3 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 142.8 | 174.8 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | K97 | K97-S99 PolarHBondContact O-N 3.21Š|
| 100 | P | 94.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 145.9 Ų | 145.9 | 33% | 0.331 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -60 | 150.2 | 176.4 | 25.1 | -33.2 | 0 | 0 | 0 | 110.5 | A104 K105 M108 | P100-A104 HydrophobicContact CB-CB 4.1Å; P100-K105 VanDerWaalsContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CD 3.48Å; P100-K105 WeakPolarHBondContact O-CG 3.48Å; P100-M108 HydrophobicContact CG-CE 3.67Å; P100-M108 HydrophobicContact CG-SD 4.3Å |
| 101 | R | 95 | Very high | 94.8 | Very high | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 65% | 0.652 | S | S | * | * | trans | -118.3 | 167.9 | 179.7 | -62.3 | -176 | 179.3 | -171.8 | -0.9 | 110.7 | ||||
| 102 | G | 97.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 140.9 Ų | 140.9 | 56% | 0.557 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | 62.7 | -139 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A104 K105 R106 | G102-A104 VanDerWaalsContact C-N 3.29Å; G102-A104 PolarHBondContact O-N 3.41Å; G102-K105 WeakPolarHBondContact O-CB 3.44Å; G102-K105 PolarHBondContact O-N 3.32Å; G102-K105 VanDerWaalsContact O-N 3.14Å; G102-R106 PolarHBondContact O-N 3.16Å; G102-R106 VanDerWaalsContact O-N 3.16Å |
| 103 | R | 97.2 | Very high | 94.4 | Very high | 191 Ų | 191 | 139.5 Ų | 139.5 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.8 | -38.3 | -175.7 | -171 | 173 | -175.2 | -101 | 3.4 | 112.9 | K105 R106 R107 | R103-K105 PolarHBondContact O-N 3.14Å; R103-R106 PolarHBondContact O-N 3.29Å; R103-R107 VanDerWaalsContact NH1-NH2 3.16Å; R103-R107 PolarHBondContact O-N 3.22Å |
| 104 | A | 96.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 136.1 Ų | 136.1 | 49% | 0.488 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.4 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P100 G102 R107 M108 | P100-A104 HydrophobicContact CB-CB 4.1Å; G102-A104 VanDerWaalsContact C-N 3.29Å; G102-A104 PolarHBondContact O-N 3.41Å; A104-R107 PolarHBondContact O-N 2.93Å; A104-M108 PolarHBondContact O-N 3.28Å |
| 105 | K | 97.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 133.2 Ų | 133.2 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.4 | -43.1 | 175.1 | -165.9 | 179.5 | 178.5 | 177.6 | 0 | 111.9 | P100 G102 R103 M108 Q109 | P100-K105 VanDerWaalsContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CB 3.32Å; P100-K105 WeakPolarHBondContact O-CD 3.48Å; P100-K105 WeakPolarHBondContact O-CG 3.48Å; G102-K105 WeakPolarHBondContact O-CB 3.44Å; G102-K105 PolarHBondContact O-N 3.32Å; G102-K105 VanDerWaalsContact O-N 3.14Å; R103-K105 PolarHBondContact O-N 3.14Å; K105-M108 PolarHBondContact O-N 2.98Å; K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.37Å |
| 106 | R | 96.8 | Very high | 93.3 | Very high | 175 Ų | 175 | 127.3 Ų | 127.3 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 178.9 | -69.5 | -64.4 | -170.2 | 176.2 | 6.8 | 112 | G102 R103 Q109 Y110 | G102-R106 PolarHBondContact O-N 3.16Å; G102-R106 VanDerWaalsContact O-N 3.16Å; R103-R106 PolarHBondContact O-N 3.29Å; R106-Q109 PolarHBondContact O-N 3.14Å; R106-Y110 PolarHBondContact O-N 3.31Å |
| 107 | R | 96.8 | Very high | 92.5 | Very high | 147 Ų | 147 | 121.6 Ų | 121.6 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.6 | -48.5 | 173.2 | -176.4 | -178.6 | -74.4 | 176.7 | -11 | 111.5 | R103 A104 Q109 Y110 N111 | R103-R107 VanDerWaalsContact NH1-NH2 3.16Å; R103-R107 PolarHBondContact O-N 3.22Å; A104-R107 PolarHBondContact O-N 2.93Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.24Å; R107-Y110 PolarHBondContact O-N 3.46Å; R107-N111 PolarHBondContact O-N 3.36Å; R107-N111 PolarHBondContact O-OD1 3.03Å |
| 108 | M | 94 | Very high | 91.3 | Very high | 115 Ų | 115 | 117.7 Ų | 117.7 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.5 | -42 | 176.8 | -176 | -172.8 | -75.2 | 0 | 0 | 112 | P100 A104 K105 N111 K112 | P100-M108 HydrophobicContact CG-CE 3.67Å; P100-M108 HydrophobicContact CG-SD 4.3Å; A104-M108 PolarHBondContact O-N 3.28Å; K105-M108 PolarHBondContact O-N 2.98Å; M108-N111 PolarHBondContact O-N 3.39Å; M108-K112 WeakPolarHBondContact O-CB 3.41Å; M108-K112 PolarHBondContact O-N 3.38Å |
| 109 | Q | 94.1 | Very high | 90.1 | Very high | 57 Ų | 57 | 115.1 Ų | 115.1 | 27% | 0.266 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 178.2 | -172.3 | 177.2 | 19.3 | 0 | 0 | 112.4 | K105 R106 R107 K112 R113 | K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.37Å; R106-Q109 PolarHBondContact O-N 3.14Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.24Å; Q109-K112 PolarHBondContact O-N 3.42Å; Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.21Å; Q109-R113 PolarHBondContact O-N 2.91Å |
| 110 | Y | 95.2 | Very high | 89 | Confident | 134 Ų | 134 | 117.1 Ų | 117.1 | 53% | 0.525 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -50.1 | 175.2 | 177.7 | -91.1 | 0 | 0 | 0 | 110.7 | R106 R107 K112 R113 F114 V115 | R106-Y110 PolarHBondContact O-N 3.31Å; R107-Y110 PolarHBondContact O-N 3.46Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.46Å; Y110-R113 PolarHBondContact O-N 3.3Å; Y110-R113 VanDerWaalsContact O-N 3.1Å; Y110-F114 AromaticContact CD2-CD2 3.42Å; Y110-F114 HydrophobicContact CD2-CD2 3.42Å; Y110-F114 VanDerWaalsContact CD2-CD2 3.42Å; Y110-F114 AromaticContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CG 4.39Å; Y110-F114 HydrophobicContact CE2-CB 4.31Å; Y110-F114 AromaticContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CE2 4.32Å; Y110-F114 HydrophobicContact CE2-CG 4.24Å; Y110-F114 HydrophobicContact CG-CD2 4.05Å; Y110-F114 PolarHBondContact O-N 2.92Å; Y110-V115 HydrophobicContact CD1-CG2 3.98Å; Y110-V115 HydrophobicContact CE1-CG2 3.62Å |
| 111 | N | 93.9 | Very high | 87.7 | Confident | 74 Ų | 74 | 121.1 Ų | 121.1 | 40% | 0.396 | 59% | 0.59 | S | S | . | * | I | π-helix | trans | -58 | -45.4 | 178.1 | -68.8 | 4.4 | 0 | 0 | 0 | 111.1 | R107 M108 R113 V115 A116 | R107-N111 PolarHBondContact O-N 3.36Å; R107-N111 PolarHBondContact O-OD1 3.03Å; M108-N111 PolarHBondContact O-N 3.39Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.97Å; N111-V115 PolarHBondContact O-N 3.49Å; N111-V115 VanDerWaalsContact O-N 3.16Å; N111-A116 WeakPolarHBondContact O-CB 3.4Å; N111-A116 PolarHBondContact O-N 3.03Å |
| 112 | K | 90.4 | Very high | 86.7 | Confident | 149 Ų | 149 | 115.1 Ų | 115.1 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | I | π-helix | trans | -64.6 | -31.6 | 178.1 | -173.2 | 173.1 | -179.6 | 176.5 | 0 | 113.5 | M108 Q109 Y110 | M108-K112 WeakPolarHBondContact O-CB 3.41Å; M108-K112 PolarHBondContact O-N 3.38Å; Q109-K112 PolarHBondContact O-N 3.42Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.46Å |
| 113 | R | 90.2 | Very high | 85.4 | Confident | 144 Ų | 144 | 114.4 Ų | 114.4 | 54% | 0.543 | 59% | 0.588 | S | S | . | * | I | π-helix | trans | -93.8 | -26.4 | -173.4 | -75.4 | -179.4 | 175.9 | -172.8 | -5.7 | 114.9 | Q109 Y110 N111 V117 | Q109-R113 WeakPolarHBondContact O-CB 3.48Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.21Å; Q109-R113 PolarHBondContact O-N 2.91Å; Y110-R113 PolarHBondContact O-N 3.3Å; Y110-R113 VanDerWaalsContact O-N 3.1Å; N111-R113 VanDerWaalsContact C-N 3.32Å; N111-R113 PolarHBondContact O-N 2.97Å; R113-V117 VanDerWaalsContact C-CG2 3.4Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å |
| 114 | F | 88.5 | Confident | 84.4 | Confident | 135 Ų | 135 | 116.8 Ų | 116.8 | 59% | 0.592 | 60% | 0.597 | S | S | * | * | I | π-helix | trans | -128.1 | -40.5 | -170.6 | -57.4 | -67.6 | 0 | 0 | 0 | 112.8 | Y110 | Y110-F114 AromaticContact CD2-CD2 3.42Å; Y110-F114 HydrophobicContact CD2-CD2 3.42Å; Y110-F114 VanDerWaalsContact CD2-CD2 3.42Å; Y110-F114 AromaticContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CE2 3.96Å; Y110-F114 HydrophobicContact CD2-CG 4.39Å; Y110-F114 HydrophobicContact CE2-CB 4.31Å; Y110-F114 AromaticContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CD2 3.65Å; Y110-F114 HydrophobicContact CE2-CE2 4.32Å; Y110-F114 HydrophobicContact CE2-CG 4.24Å; Y110-F114 HydrophobicContact CG-CD2 4.05Å; Y110-F114 PolarHBondContact O-N 2.92Å |
| 115 | V | 87.3 | Confident | 83.5 | Confident | 99 Ų | 99 | 123.8 Ų | 123.8 | 60% | 0.6 | 61% | 0.611 | S | S | * | * | I | π-helix | trans | -85.1 | -49 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | Y110 N111 V117 | Y110-V115 HydrophobicContact CD1-CG2 3.98Å; Y110-V115 HydrophobicContact CE1-CG2 3.62Å; N111-V115 PolarHBondContact O-N 3.49Å; N111-V115 VanDerWaalsContact O-N 3.16Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.16Å |
| 116 | A | 83.2 | Confident | 82.7 | Confident | 75 Ų | 75 | 125.1 Ų | 125.1 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -87.9 | 10.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N111 V118 | N111-A116 WeakPolarHBondContact O-CB 3.4Å; N111-A116 PolarHBondContact O-N 3.03Å; A116-V118 PolarHBondContact O-N 3.35Å |
| 117 | V | 76.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 119 Ų | 119 | 36% | 0.358 | 60% | 0.604 | S | S | . | * | trans | -82.5 | 100.2 | 178.1 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | R113 V115 Q119 | R113-V117 VanDerWaalsContact C-CG2 3.4Å; R113-V117 WeakPolarHBondContact O-CG2 3.28Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.16Å; V117-Q119 HydrophobicContact CG1-CG 4.43Å; V117-Q119 PolarHBondContact O-N 2.81Å | ||
| 118 | V | 68 | Low | 81.8 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -80 | 109.3 | 163.6 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | A116 Q120 | A116-V118 PolarHBondContact O-N 3.35Å; V118-Q120 PolarHBondContact O-N 3.38Å | ||
| 119 | Q | 68.1 | Low | 81.7 | Confident | 157 Ų | 157 | 119.4 Ų | 119.4 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | trans | -68.9 | 110.8 | 167.1 | -64.9 | -172.2 | 33.7 | 0 | 0 | 107.1 | V117 P121 | V117-Q119 HydrophobicContact CG1-CG 4.43Å; V117-Q119 PolarHBondContact O-N 2.81Å; Q119-P121 WeakPolarHBondContact O-CD 3.33Å | ||
| 120 | Q | 67.2 | Low | 81.4 | Confident | 122 Ų | 122 | 119.2 Ų | 119.2 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | trans | -64.4 | 125.7 | 171.5 | -72.3 | -175.9 | -26.6 | 0 | 0 | 108 | V118 G122 G123 | V118-Q120 PolarHBondContact O-N 3.38Å; Q120-G122 PolarHBondContact O-N 2.9Å; Q120-G122 VanDerWaalsContact O-N 3.15Å; Q120-G123 PolarHBondContact O-N 3.1Å | ||
| 121 | P | 68.7 | Low | 81.1 | Confident | 135 Ų | 135 | 119.8 Ų | 119.8 | 88% | 0.877 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 122.7 | 176.8 | -20.8 | 30.8 | 0 | 0 | 0 | 109.5 | Q119 G123 | Q119-P121 WeakPolarHBondContact O-CD 3.33Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 3.39Å |
| 122 | G | 72.1 | Confident | 80.6 | Confident | 94 Ų | 94 | 120.7 Ų | 120.7 | 97% | 0.969 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | -0.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q120 | Q120-G122 PolarHBondContact O-N 2.9Å; Q120-G122 VanDerWaalsContact O-N 3.15Å |
| 123 | G | 71.4 | Confident | 80 | Confident | 38 Ų | 38 | 122.8 Ų | 122.8 | 39% | 0.392 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -91.6 | 133.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q120 P121 | Q120-G123 PolarHBondContact O-N 3.1Å; P121-G123 VanDerWaalsContact C-N 3.26Å; P121-G123 PolarHBondContact O-N 3.39Å |
| 124 | R | 75.1 | Confident | 79 | Confident | 241 Ų | 241 | 120.5 Ų | 120.5 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.2 | 168.9 | -77.4 | 179.6 | 142.9 | -171.1 | -5.6 | 110.7 | R126 | R124-R126 PolarHBondContact O-N 3.22Å; R124-R126 VanDerWaalsContact O-N 3.15Å |
| 125 | R | 77.1 | Confident | 78.1 | Confident | 206 Ų | 206 | 123.2 Ų | 123.2 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.9 | 176.8 | -62.8 | -179 | 84.4 | 172.4 | 7 | 110.1 | ||
| 126 | R | 81.5 | Confident | 77.6 | Confident | 144 Ų | 144 | 124.5 Ų | 124.5 | 54% | 0.543 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 143 | 177.5 | -65.1 | -172.7 | -177.6 | -166.5 | 1.4 | 111.2 | R124 | R124-R126 PolarHBondContact O-N 3.22Å; R124-R126 VanDerWaalsContact O-N 3.15Å |
| 127 | G | 86.5 | Confident | 77.4 | Confident | 45 Ų | 45 | 127.1 Ų | 127.1 | 46% | 0.464 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 156.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | N129 S130 | G127-N129 VanDerWaalsContact C-N 3.26Å; G127-N129 PolarHBondContact O-N 3.15Å; G127-S130 WeakPolarHBondContact O-CB 3.41Å; G127-S130 PolarHBondContact O-N 3.42Å |
| 128 | P | 88 | Confident | 77.4 | Confident | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -16.7 | -173.7 | 27.3 | -35.8 | 0 | 0 | 0 | 115.2 | ||
| 129 | N | 91.5 | Very high | 77.9 | Confident | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 37.2 | 177.3 | -165.9 | 43.6 | 0 | 0 | 0 | 110.9 | G127 | G127-N129 VanDerWaalsContact C-N 3.26Å; G127-N129 PolarHBondContact O-N 3.15Å |
| 130 | S | 87.9 | Confident | 78.5 | Confident | 53 Ų | 53 | 129.4 Ų | 129.4 | 37% | 0.371 | 73% | 0.73 | S | S | . | * | trans | -75.8 | 124.7 | 176.3 | 179 | 0 | 0 | 0 | 0 | 109.9 | G127 V132 | G127-S130 WeakPolarHBondContact O-CB 3.41Å; G127-S130 PolarHBondContact O-N 3.42Å; S130-V132 VanDerWaalsContact C-N 3.29Å; S130-V132 WeakPolarHBondContact OG-CB 3.49Å; S130-V132 WeakPolarHBondContact OG-CG2 3.09Å; S130-V132 PolarHBondContact OG-N 3.15Å | ||
| 131 | N | 89.4 | Confident | 79.3 | Confident | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | -93 | 16.1 | 173.6 | -67.8 | -7 | 0 | 0 | 0 | 112.4 | K133 | N131-K133 PolarHBondContact O-N 3.19Å; N131-K133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | V | 84.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 129.5 Ų | 129.5 | 56% | 0.564 | 73% | 0.731 | S | S | * | * | trans | -65.7 | 113.7 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | S130 S134 | S130-V132 VanDerWaalsContact C-N 3.29Å; S130-V132 WeakPolarHBondContact OG-CB 3.49Å; S130-V132 WeakPolarHBondContact OG-CG2 3.09Å; S130-V132 PolarHBondContact OG-N 3.15Å; V132-S134 PolarHBondContact O-N 2.98Å | ||
| 133 | K | 77.7 | Confident | 80.7 | Confident | 193 Ų | 193 | 132.2 Ų | 132.2 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -61.2 | 128.3 | 171.6 | -62.6 | -177.8 | -179.4 | -179.5 | 0 | 108.2 | N131 S135 | N131-K133 PolarHBondContact O-N 3.19Å; N131-K133 VanDerWaalsContact O-N 3.14Å; K133-S135 PolarHBondContact O-N 3.28Å | ||
| 134 | S | 69.6 | Low | 81.4 | Confident | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -67.1 | 118.5 | 163.3 | 46.7 | 0 | 0 | 0 | 0 | 107.1 | V132 | V132-S134 PolarHBondContact O-N 2.98Š| ||
| 135 | S | 68.6 | Low | 82 | Confident | 193 Ų | 193 | 130.9 Ų | 130.9 | 100% | 1.35 | 72% | 0.723 | S | S | * | * | trans | -59.3 | 0 | 166.3 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | K133 | K133-S135 PolarHBondContact O-N 3.28Š|
Retrieved 135 of 135 residues in 33 ms
(Link to these results)