| 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 | E | 89.1 | Confident | 89.5 | Confident | 131 Ų | 131 | 110.1 Ų | 110.1 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | 0 | 134.5 | 0 | -61.7 | -51.1 | 132.3 | 0 | 0 | 109.8 | F3 S10 S13 | E1-F3 HydrophobicContact CB-CD2 4.42Å; E1-F3 HydrophobicContact CB-CE1 4.42Å; E1-F3 HydrophobicContact CB-CE2 3.49Å; E1-F3 VanDerWaalsContact CB-CE2 3.49Å; E1-F3 HydrophobicContact CB-CZ 3.49Å; E1-F3 VanDerWaalsContact CB-CZ 3.49Å; E1-F3 HydrophobicContact CG-CZ 4.29Å; E1-S10 WeakPolarHBondContact OE2-CB 3.21Å; E1-S10 PolarHBondContact OE2-OG 3.5Å; E1-S13 WeakPolarHBondContact OE1-CB 3.44Å | |||
| 2 | I | 89.7 | Confident | 89.9 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 32% | 0.323 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.9 | 173.8 | -44.7 | -169.5 | 0 | 0 | 0 | 108.7 | S10 F11 C12 I14 | I2-S10 VanDerWaalsContact O-CA 3.27Å; I2-S10 WeakPolarHBondContact O-CA 3.18Å; I2-S10 WeakPolarHBondContact O-CB 3.36Å; I2-F11 HydrophobicContact CB-CE1 3.88Å; I2-F11 HydrophobicContact CB-CE2 4.26Å; I2-F11 HydrophobicContact CB-CZ 3.73Å; I2-F11 HydrophobicContact CG2-CE1 3.47Å; I2-F11 VanDerWaalsContact CG2-CE1 3.47Å; I2-F11 HydrophobicContact CG2-CE2 4.25Å; I2-F11 HydrophobicContact CG2-CZ 3.3Å; I2-F11 VanDerWaalsContact O-CD1 3.32Å; I2-F11 WeakPolarHBondContact O-CD1 3.22Å; I2-F11 PolarHBondContact O-N 3.48Å; I2-C12 PolarHBondContact N-O 3.21Å; I2-I14 HydrophobicContact CD1-CD1 4.01Å; I2-I14 HydrophobicContact CD1-CG1 3.81Å; I2-I14 HydrophobicContact CG1-CG1 4.26Å |
| 3 | F | 91.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 95.2 Ų | 95.2 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.8 | -174.6 | -57.4 | -88.3 | 0 | 0 | 0 | 110.9 | E1 K8 | E1-F3 HydrophobicContact CB-CD2 4.42Å; E1-F3 HydrophobicContact CB-CE1 4.42Å; E1-F3 HydrophobicContact CB-CE2 3.49Å; E1-F3 VanDerWaalsContact CB-CE2 3.49Å; E1-F3 HydrophobicContact CB-CZ 3.49Å; E1-F3 VanDerWaalsContact CB-CZ 3.49Å; E1-F3 HydrophobicContact CG-CZ 4.29Å; F3-K8 WeakPolarHBondContact CE1-O 3.27Å |
| 4 | S | 89.2 | Confident | 90.8 | Very high | 55 Ų | 55 | 92.5 Ų | 92.5 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | trans | -72.7 | 152.9 | 165.5 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | N6 D7 | S4-N6 PolarHBondContact O-N 3.34Å; S4-D7 PolarHBondContact O-N 2.92Å | ||
| 5 | P | 88.3 | Confident | 91.1 | Very high | 130 Ų | 130 | 91.8 Ų | 91.8 | 84% | 0.844 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -23 | -173.9 | -30.2 | 35.8 | 0 | 0 | 0 | 116.2 | ||
| 6 | N | 91 | Very high | 91.4 | Very high | 166 Ų | 166 | 89.8 Ų | 89.8 | 89% | 0.888 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 6.4 | -177.5 | -61.6 | -38.6 | 0 | 0 | 0 | 114 | S4 | S4-N6 PolarHBondContact O-N 3.34Š|
| 7 | D | 88.6 | Confident | 91.8 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | trans | -109.9 | 136.9 | -175 | -158.2 | -14.6 | 0 | 0 | 0 | 111.7 | S4 K9 | S4-D7 PolarHBondContact O-N 2.92Å; D7-K9 PolarHBondContact OD1-N 3.42Å | ||
| 8 | K | 86.6 | Confident | 92 | Very high | 200 Ų | 200 | 97.5 Ų | 97.5 | 87% | 0.87 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -85.8 | -18.3 | 172.8 | -66.1 | -174.3 | 179.6 | -178.4 | 0 | 112 | F3 | F3-K8 WeakPolarHBondContact CE1-O 3.27Š|
| 9 | K | 88.9 | Confident | 92.2 | Very high | 149 Ų | 149 | 97.2 Ų | 97.2 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -86.1 | 128.3 | 174.5 | -169.1 | 177.8 | 177.6 | -178.4 | 0 | 109.1 | D7 | D7-K9 PolarHBondContact OD1-N 3.42Š|
| 10 | S | 90.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 92.4 Ų | 92.4 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144.7 | 173.9 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | E1 I2 | E1-S10 WeakPolarHBondContact OE2-CB 3.21Å; E1-S10 PolarHBondContact OE2-OG 3.5Å; I2-S10 VanDerWaalsContact O-CA 3.27Å; I2-S10 WeakPolarHBondContact O-CA 3.18Å; I2-S10 WeakPolarHBondContact O-CB 3.36Å |
| 11 | F | 91.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 89.6 Ų | 89.6 | 40% | 0.404 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -24.3 | 174.8 | 66.2 | -97.2 | 0 | 0 | 0 | 112.2 | I2 A27 | I2-F11 HydrophobicContact CB-CE1 3.88Å; I2-F11 HydrophobicContact CB-CE2 4.26Å; I2-F11 HydrophobicContact CB-CZ 3.73Å; I2-F11 HydrophobicContact CG2-CE1 3.47Å; I2-F11 VanDerWaalsContact CG2-CE1 3.47Å; I2-F11 HydrophobicContact CG2-CE2 4.25Å; I2-F11 HydrophobicContact CG2-CZ 3.3Å; I2-F11 VanDerWaalsContact O-CD1 3.32Å; I2-F11 WeakPolarHBondContact O-CD1 3.22Å; I2-F11 PolarHBondContact O-N 3.48Å; F11-A27 PolarHBondContact O-N 3.07Å |
| 12 | C | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 85.3 Ų | 85.3 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 164.8 | 169.7 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | I2 K25 Y26 | I2-C12 PolarHBondContact N-O 3.21Å; C12-K25 CarbonylContact C-O 3.34Å; C12-K25 WeakPolarHBondContact CA-O 3.49Å; C12-K25 VanDerWaalsContact CB-O 3.28Å; C12-K25 WeakPolarHBondContact CB-O 3.4Å; C12-Y26 HydrophobicContact CB-CD1 3.75Å; C12-Y26 HydrophobicContact CB-CE1 4.07Å; C12-Y26 HydrophobicContact CB-CG 4.25Å |
| 13 | S | 95.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 86.7 Ų | 86.7 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 152.9 | 167.4 | 71.7 | 0 | 0 | 0 | 0 | 110.3 | E1 A24 K25 | E1-S13 WeakPolarHBondContact OE1-CB 3.44Å; S13-A24 WeakPolarHBondContact O-CA 3.48Å; S13-K25 PolarHBondContact N-O 3.1Å; S13-K25 PolarHBondContact O-N 3.37Å |
| 14 | I | 96.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 81.8 Ų | 81.8 | 29% | 0.292 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.1 | 173.2 | -56 | -57.9 | 0 | 0 | 0 | 107.4 | I2 M22 Y23 A24 F34 | I2-I14 HydrophobicContact CD1-CD1 4.01Å; I2-I14 HydrophobicContact CD1-CG1 3.81Å; I2-I14 HydrophobicContact CG1-CG1 4.26Å; I14-M22 HydrophobicContact CG2-CB 4.03Å; I14-M22 HydrophobicContact CG2-CG 4.49Å; I14-M22 HydrophobicContact CG2-SD 4.32Å; I14-Y23 VanDerWaalsContact CA-O 3.31Å; I14-Y23 WeakPolarHBondContact CA-O 3.47Å; I14-A24 HydrophobicContact CD1-CB 3.79Å; I14-F34 HydrophobicContact CD1-CB 4.32Å; I14-F34 HydrophobicContact CD1-CD1 3.99Å; I14-F34 HydrophobicContact CD1-CD2 4.3Å; I14-F34 HydrophobicContact CD1-CE1 4.41Å; I14-F34 HydrophobicContact CD1-CG 3.94Å; I14-F34 HydrophobicContact CG2-CD1 4.15Å |
| 15 | E | 95.8 | Very high | 94.1 | Very high | 82 Ų | 82 | 83.8 Ų | 83.8 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 165.4 | 178.4 | 65.4 | -175.8 | -168.3 | 0 | 0 | 111.1 | M22 Y23 N31 | E15-M22 CarbonylContact O-C 3.5Å; E15-M22 VanDerWaalsContact O-CA 3.31Å; E15-M22 WeakPolarHBondContact O-CA 3.19Å; E15-Y23 PolarHBondContact N-O 3.25Å; E15-Y23 PolarHBondContact O-N 3.41Å; E15-N31 PolarHBondContact OE1-ND2 2.85Å |
| 16 | G | 96.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 110.2 | -150.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 17 | E | 97.5 | Very high | 94.2 | Very high | 117 Ų | 117 | 77.6 Ų | 77.6 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | trans | -112.4 | 120 | -169.4 | -68.5 | 175.8 | -164 | 0 | 0 | 111.2 | N19 G20 V21 M22 | E17-N19 PolarHBondContact O-N 3.32Å; E17-G20 CarbonylContact O-C 3.54Å; E17-G20 PolarHBondContact O-N 3.23Å; E17-V21 PolarHBondContact N-O 3.17Å; E17-V21 PolarHBondContact O-N 3.05Å; E17-M22 WeakPolarHBondContact O-CG 3.44Å | ||
| 18 | W | 95.9 | Very high | 94.2 | Very high | 202 Ų | 202 | 79.1 Ų | 79.1 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.9 | 179.2 | 66.4 | -94.2 | 0 | 0 | 0 | 113.6 | M22 T37 | W18-M22 HydrophobicContact CB-SD 4.43Å; W18-T37 WeakPolarHBondContact O-CG2 3.31Å |
| 19 | N | 95.8 | Very high | 94.2 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 13.6 | 174.6 | 65.9 | -19.4 | 0 | 0 | 0 | 113 | E17 T37 | E17-N19 PolarHBondContact O-N 3.32Å; N19-T37 PolarHBondContact O-OG1 3.05Å |
| 20 | G | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -139.2 | -119.7 | -179 | 0 | 0 | 0 | 0 | 0 | 109.9 | E17 T37 | E17-G20 CarbonylContact O-C 3.54Å; E17-G20 PolarHBondContact O-N 3.23Å; G20-T37 PolarHBondContact N-OG1 2.88Å; G20-T37 PolarHBondContact O-N 3.24Å; G20-T37 PolarHBondContact O-OG1 3.16Å |
| 21 | V | 97.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.5 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | E17 Y23 V33 V35 D36 | E17-V21 PolarHBondContact N-O 3.17Å; E17-V21 PolarHBondContact O-N 3.05Å; V21-Y23 HydrophobicContact CB-CE2 3.98Å; V21-Y23 HydrophobicContact CG1-CD2 4.25Å; V21-Y23 HydrophobicContact CG1-CE1 4.09Å; V21-Y23 HydrophobicContact CG1-CE2 3.68Å; V21-V33 HydrophobicContact CG1-CG1 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.24Å; V21-V35 WeakPolarHBondContact CA-O 3.34Å; V21-D36 HydrophobicContact CG2-CB 4.35Å |
| 22 | M | 97.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.5 | 168 | -67.5 | -178.2 | -72.7 | 0 | 0 | 109.2 | I14 E15 E17 W18 F34 V35 | I14-M22 HydrophobicContact CG2-CB 4.03Å; I14-M22 HydrophobicContact CG2-CG 4.49Å; I14-M22 HydrophobicContact CG2-SD 4.32Å; E15-M22 CarbonylContact O-C 3.5Å; E15-M22 VanDerWaalsContact O-CA 3.31Å; E15-M22 WeakPolarHBondContact O-CA 3.19Å; E17-M22 WeakPolarHBondContact O-CG 3.44Å; W18-M22 HydrophobicContact CB-SD 4.43Å; M22-F34 HydrophobicContact CB-CD1 4.29Å; M22-F34 WeakPolarHBondContact O-CB 3.41Å; M22-F34 PolarHBondContact O-N 3.39Å; M22-V35 HydrophobicContact CE-CB 3.93Å; M22-V35 HydrophobicContact CE-CG1 4.06Å; M22-V35 PolarHBondContact N-O 2.93Å; M22-V35 PolarHBondContact O-N 3.47Å; M22-V35 VanDerWaalsContact O-N 3.11Å |
| 23 | Y | 97.8 | Very high | 95 | Very high | 92 Ų | 92 | 74.4 Ų | 74.4 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.4 | -180 | -60.1 | -95.4 | 0 | 0 | 0 | 110.7 | I14 E15 V21 N31 T32 V33 | I14-Y23 VanDerWaalsContact CA-O 3.31Å; I14-Y23 WeakPolarHBondContact CA-O 3.47Å; E15-Y23 PolarHBondContact N-O 3.25Å; E15-Y23 PolarHBondContact O-N 3.41Å; V21-Y23 HydrophobicContact CB-CE2 3.98Å; V21-Y23 HydrophobicContact CG1-CD2 4.25Å; V21-Y23 HydrophobicContact CG1-CE1 4.09Å; V21-Y23 HydrophobicContact CG1-CE2 3.68Å; Y23-N31 VanDerWaalsContact CB-OD1 3.23Å; Y23-N31 WeakPolarHBondContact CB-OD1 3.42Å; Y23-T32 CarbonylContact C-O 3.47Å; Y23-T32 WeakPolarHBondContact CA-O 2.98Å; Y23-T32 WeakPolarHBondContact CB-O 3.33Å; Y23-V33 HydrophobicContact CD1-CG2 4.06Å; Y23-V33 HydrophobicContact CE1-CG2 3.69Å |
| 24 | A | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S13 I14 Y26 N31 T32 F34 | S13-A24 WeakPolarHBondContact O-CA 3.48Å; I14-A24 HydrophobicContact CD1-CB 3.79Å; A24-Y26 HydrophobicContact CB-CE2 3.81Å; A24-N31 WeakPolarHBondContact O-CA 3.49Å; A24-N31 PolarHBondContact O-OD1 3.41Å; A24-T32 PolarHBondContact N-O 3.06Å; A24-T32 PolarHBondContact O-N 2.81Å; A24-F34 HydrophobicContact CB-CB 4.03Å |
| 25 | K | 96.3 | Very high | 95 | Very high | 97 Ų | 97 | 77.6 Ų | 77.6 | 42% | 0.422 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 109.2 | 175.3 | -175.1 | 178.1 | -176 | 173.7 | 0 | 109.2 | C12 S13 E30 | C12-K25 CarbonylContact C-O 3.34Å; C12-K25 WeakPolarHBondContact CA-O 3.49Å; C12-K25 VanDerWaalsContact CB-O 3.28Å; C12-K25 WeakPolarHBondContact CB-O 3.4Å; S13-K25 PolarHBondContact N-O 3.1Å; S13-K25 PolarHBondContact O-N 3.37Å; K25-E30 WeakPolarHBondContact CA-O 3.41Å |
| 26 | Y | 93.9 | Very high | 95.1 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 35% | 0.349 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 155.8 | -177.7 | -67.3 | -85.9 | 0 | 0 | 0 | 111.5 | C12 A24 T28 G29 E30 | C12-Y26 HydrophobicContact CB-CD1 3.75Å; C12-Y26 HydrophobicContact CB-CE1 4.07Å; C12-Y26 HydrophobicContact CB-CG 4.25Å; A24-Y26 HydrophobicContact CB-CE2 3.81Å; Y26-T28 WeakPolarHBondContact CB-OG1 3.28Å; Y26-T28 PolarHBondContact O-N 2.73Å; Y26-G29 PolarHBondContact O-N 3.46Å; Y26-E30 HydrophobicContact CD2-CB 4.32Å; Y26-E30 PolarHBondContact N-O 3.14Å |
| 27 | A | 87.4 | Confident | 95.1 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F11 G29 | F11-A27 PolarHBondContact O-N 3.07Å; A27-G29 PolarHBondContact O-N 3.34Å |
| 28 | T | 88.1 | Confident | 95 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 73% | 0.73 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -10.1 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | Y26 E30 | Y26-T28 WeakPolarHBondContact CB-OG1 3.28Å; Y26-T28 PolarHBondContact O-N 2.73Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 WeakPolarHBondContact OG1-CB 3.44Å; T28-E30 PolarHBondContact OG1-N 3.11Å |
| 29 | G | 86.4 | Confident | 95 | Very high | 60 Ų | 60 | 75 Ų | 75 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 89.1 | -6.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y26 A27 | Y26-G29 PolarHBondContact O-N 3.46Å; A27-G29 PolarHBondContact O-N 3.34Å |
| 30 | E | 93.3 | Very high | 95 | Very high | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | trans | -67.1 | 136.6 | 175 | -168.5 | -175.7 | 172.6 | 0 | 0 | 111 | K25 Y26 T28 T32 | K25-E30 WeakPolarHBondContact CA-O 3.41Å; Y26-E30 HydrophobicContact CD2-CB 4.32Å; Y26-E30 PolarHBondContact N-O 3.14Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 WeakPolarHBondContact OG1-CB 3.44Å; T28-E30 PolarHBondContact OG1-N 3.11Å; E30-T32 HydrophobicContact CG-CG2 3.92Å; E30-T32 WeakPolarHBondContact OE1-CG2 3.32Å | ||
| 31 | N | 95.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 80.7 Ų | 80.7 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 111.4 | 175.7 | -161.8 | 7 | 0 | 0 | 0 | 109.8 | E15 Y23 A24 | E15-N31 PolarHBondContact OE1-ND2 2.85Å; Y23-N31 VanDerWaalsContact CB-OD1 3.23Å; Y23-N31 WeakPolarHBondContact CB-OD1 3.42Å; A24-N31 WeakPolarHBondContact O-CA 3.49Å; A24-N31 PolarHBondContact O-OD1 3.41Å |
| 32 | T | 96.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 86.4 Ų | 86.4 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.2 | -176 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | Y23 A24 E30 F34 | Y23-T32 CarbonylContact C-O 3.47Å; Y23-T32 WeakPolarHBondContact CA-O 2.98Å; Y23-T32 WeakPolarHBondContact CB-O 3.33Å; A24-T32 PolarHBondContact N-O 3.06Å; A24-T32 PolarHBondContact O-N 2.81Å; E30-T32 HydrophobicContact CG-CG2 3.92Å; E30-T32 WeakPolarHBondContact OE1-CG2 3.32Å; T32-F34 PolarHBondContact O-N 2.86Å; T32-F34 VanDerWaalsContact O-N 3.14Å |
| 33 | V | 96.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 116.6 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | V21 Y23 D36 | V21-V33 HydrophobicContact CG1-CG1 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.24Å; Y23-V33 HydrophobicContact CD1-CG2 4.06Å; Y23-V33 HydrophobicContact CE1-CG2 3.69Å; V33-D36 HydrophobicContact CG1-CB 4.32Å |
| 34 | F | 96.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 96.1 Ų | 96.1 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -54.4 | 173.3 | 174.4 | -120.7 | 0 | 0 | 0 | 110.1 | I14 M22 A24 T32 | I14-F34 HydrophobicContact CD1-CB 4.32Å; I14-F34 HydrophobicContact CD1-CD1 3.99Å; I14-F34 HydrophobicContact CD1-CD2 4.3Å; I14-F34 HydrophobicContact CD1-CE1 4.41Å; I14-F34 HydrophobicContact CD1-CG 3.94Å; I14-F34 HydrophobicContact CG2-CD1 4.15Å; M22-F34 HydrophobicContact CB-CD1 4.29Å; M22-F34 WeakPolarHBondContact O-CB 3.41Å; M22-F34 PolarHBondContact O-N 3.39Å; A24-F34 HydrophobicContact CB-CB 4.03Å; T32-F34 PolarHBondContact O-N 2.86Å; T32-F34 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 97.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 105.1 Ų | 105.1 | 21% | 0.212 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 130.7 | -178.8 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | V21 M22 T37 L40 | V21-V35 WeakPolarHBondContact CA-O 3.34Å; M22-V35 HydrophobicContact CE-CB 3.93Å; M22-V35 HydrophobicContact CE-CG1 4.06Å; M22-V35 PolarHBondContact N-O 2.93Å; M22-V35 PolarHBondContact O-N 3.47Å; M22-V35 VanDerWaalsContact O-N 3.11Å; V35-T37 HydrophobicContact CG1-CG2 3.9Å; V35-L40 HydrophobicContact CG1-CD1 3.76Å |
| 36 | D | 97.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 110.6 Ų | 110.6 | 13% | 0.128 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 98.6 | 167.6 | -175.7 | -20.6 | 0 | 0 | 0 | 108.8 | V21 V33 K38 K39 L40 | V21-D36 HydrophobicContact CG2-CB 4.35Å; V33-D36 HydrophobicContact CG1-CB 4.32Å; D36-K38 PolarHBondContact O-N 2.98Å; D36-K38 WeakPolarHBondContact OD1-CB 3.43Å; D36-K38 PolarHBondContact OD1-N 3.4Å; D36-K39 HydrophobicContact CB-CB 4.25Å; D36-K39 HydrophobicContact CB-CD 4.25Å; D36-K39 HydrophobicContact CB-CG 4.32Å; D36-K39 PolarHBondContact O-N 3.15Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 PolarHBondContact OD1-N 3.2Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CE 3.18Å; D36-K39 WeakPolarHBondContact OD2-CG 3.31Å; D36-K39 IonicContact OD2-NZ 3.55Å; D36-K39 PolarHBondContact OD2-NZ 3.06Å; D36-L40 PolarHBondContact O-N 3.3Å |
| 37 | T | 96.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 109.6 Ų | 109.6 | 31% | 0.313 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -20.5 | -175.9 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | W18 N19 G20 V35 | W18-T37 WeakPolarHBondContact O-CG2 3.31Å; N19-T37 PolarHBondContact O-OG1 3.05Å; G20-T37 PolarHBondContact N-OG1 2.88Å; G20-T37 PolarHBondContact O-N 3.24Å; G20-T37 PolarHBondContact O-OG1 3.16Å; V35-T37 HydrophobicContact CG1-CG2 3.9Å |
| 38 | K | 95.2 | Very high | 95 | Very high | 166 Ų | 166 | 112.5 Ų | 112.5 | 72% | 0.722 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -21.6 | 178.1 | -61.6 | 178.7 | 178.9 | 171.8 | 0 | 112.2 | D36 | D36-K38 PolarHBondContact O-N 2.98Å; D36-K38 WeakPolarHBondContact OD1-CB 3.43Å; D36-K38 PolarHBondContact OD1-N 3.4Å |
| 39 | K | 96.1 | Very high | 95.4 | Very high | 165 Ų | 165 | 113 Ų | 113 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -21 | 177.6 | -68.4 | -176.6 | -177.3 | 124.6 | 0 | 113.7 | D36 | D36-K39 HydrophobicContact CB-CB 4.25Å; D36-K39 HydrophobicContact CB-CD 4.25Å; D36-K39 HydrophobicContact CB-CG 4.32Å; D36-K39 PolarHBondContact O-N 3.15Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 PolarHBondContact OD1-N 3.2Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.23Å; D36-K39 WeakPolarHBondContact OD2-CE 3.18Å; D36-K39 WeakPolarHBondContact OD2-CG 3.31Å; D36-K39 IonicContact OD2-NZ 3.55Å; D36-K39 PolarHBondContact OD2-NZ 3.06Å |
| 40 | L | 95.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 113.9 Ų | 113.9 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -71.3 | 128.8 | 179.9 | -71.3 | 178.7 | 0 | 0 | 0 | 111.4 | V35 D36 | V35-L40 HydrophobicContact CG1-CD1 3.76Å; D36-L40 PolarHBondContact O-N 3.3Å |
| 41 | P | 95.1 | Very high | 96 | Very high | 107 Ų | 107 | 115.8 Ų | 115.8 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | trans | -69.9 | 138.3 | 175.4 | 28.8 | -33.8 | 0 | 0 | 0 | 111.1 | I43 | P41-I43 PolarHBondContact O-N 3.07Š| ||
| 42 | I | 95.2 | Very high | 96.1 | Very high | 154 Ų | 154 | 116.4 Ų | 116.4 | 79% | 0.79 | 56% | 0.564 | S | S | * | * | trans | -83.3 | 107.5 | 175.6 | -58.8 | 173.7 | 0 | 0 | 0 | 109.4 | K44 | I42-K44 PolarHBondContact O-N 3.34Š| ||
| 43 | I | 95.4 | Very high | 96.1 | Very high | 156 Ų | 156 | 115 Ų | 115 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | trans | -85.5 | 106.4 | 173.8 | -54.3 | 175.5 | 0 | 0 | 0 | 109 | P41 | P41-I43 PolarHBondContact O-N 3.07Š| ||
| 44 | K | 95.4 | Very high | 96.1 | Very high | 182 Ų | 182 | 115.6 Ų | 115.6 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.6 | 179.6 | -64.2 | -178.7 | -179.3 | 175.9 | 0 | 111 | I42 K46 | I42-K44 PolarHBondContact O-N 3.34Å; K44-K46 PolarHBondContact O-N 3.36Å |
| 45 | K | 94.8 | Very high | 96 | Very high | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.826 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.5 | 169.9 | -66.3 | -174.5 | 178 | -177.1 | 0 | 110.2 | V47 | K45-V47 HydrophobicContact CB-CG2 4.46Š|
| 46 | K | 96.1 | Very high | 95.9 | Very high | 213 Ų | 213 | 118.4 Ų | 118.4 | 93% | 0.926 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 131.6 | 166.8 | -65.4 | -177.5 | -179.1 | 179.1 | 0 | 108.5 | K44 | K44-K46 PolarHBondContact O-N 3.36Š|
| 47 | V | 95.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 119.4 Ų | 119.4 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | -134.2 | 145.7 | -178.4 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | K45 | K45-V47 HydrophobicContact CB-CG2 4.46Š| ||
| 48 | R | 96.8 | Very high | 95.9 | Very high | 138 Ų | 138 | 121.3 Ų | 121.3 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | trans | -55.9 | 154.7 | 173.9 | -70.9 | -168.2 | -64.9 | -91.4 | -3.3 | 111.4 | D52 Q53 E57 | R48-D52 HydrophobicContact CB-CB 4.21Å; R48-D52 PolarHBondContact NE-O 3.01Å; R48-Q53 HydrophobicContact CB-CG 4.27Å; R48-Q53 PolarHBondContact O-NE2 2.87Å; R48-E57 IonicContact CZ-OE1 3.6Å; R48-E57 IonicContact CZ-OE2 2.73Å; R48-E57 VanDerWaalsContact NH2-CD 3.28Å; R48-E57 IonicContact NH2-OE1 3.98Å; R48-E57 PolarHBondContact NH2-OE1 3.18Å; R48-E57 IonicContact NH2-OE2 3.95Å; R48-E57 PolarHBondContact NH2-OE2 3.23Å | ||
| 49 | K | 96.9 | Very high | 96 | Very high | 130 Ų | 130 | 120 Ų | 120 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | trans | -62.5 | 157.8 | 173 | -62.6 | 178.3 | 179.7 | 175.9 | 0 | 110.1 | E51 D52 Q53 | K49-E51 VanDerWaalsContact C-N 3.26Å; K49-E51 HydrophobicContact CB-CG 3.95Å; K49-E51 HydrophobicContact CD-CG 4.22Å; K49-E51 VanDerWaalsContact CD-OE1 3.27Å; K49-E51 WeakPolarHBondContact CD-OE1 3.45Å; K49-E51 IonicContact NZ-OE1 3.17Å; K49-E51 PolarHBondContact NZ-OE1 3.2Å; K49-E51 PolarHBondContact O-N 2.83Å; K49-D52 PolarHBondContact O-N 2.96Å; K49-Q53 WeakPolarHBondContact O-CG 3.08Å; K49-Q53 PolarHBondContact O-N 2.83Å | ||
| 50 | L | 95.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 113.9 Ų | 113.9 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -60.9 | -35.5 | -179.8 | -74 | 175 | 0 | 0 | 0 | 112.6 | D52 Q53 R59 K63 | L50-D52 PolarHBondContact O-N 3.45Å; L50-Q53 PolarHBondContact O-N 2.93Å; L50-R59 HydrophobicContact CD2-CB 3.65Å; L50-R59 WeakPolarHBondContact CD2-O 2.99Å; L50-K63 HydrophobicContact CD1-CD 4.31Å; L50-K63 HydrophobicContact CD1-CG 4.34Å |
| 51 | E | 96.1 | Very high | 96.2 | Very high | 148 Ų | 148 | 110.6 Ų | 110.6 | 69% | 0.692 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -63.2 | -23.6 | 175.8 | 65.8 | -152.9 | -153.9 | 0 | 0 | 113.6 | K49 | K49-E51 VanDerWaalsContact C-N 3.26Å; K49-E51 HydrophobicContact CB-CG 3.95Å; K49-E51 HydrophobicContact CD-CG 4.22Å; K49-E51 VanDerWaalsContact CD-OE1 3.27Å; K49-E51 WeakPolarHBondContact CD-OE1 3.45Å; K49-E51 IonicContact NZ-OE1 3.17Å; K49-E51 PolarHBondContact NZ-OE1 3.2Å; K49-E51 PolarHBondContact O-N 2.83Å |
| 52 | D | 97.2 | Very high | 96.3 | Very high | 92 Ų | 92 | 109.8 Ų | 109.8 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -103.3 | 8.6 | -179.4 | -52.9 | -45.2 | 0 | 0 | 0 | 112.6 | R48 K49 L50 | R48-D52 HydrophobicContact CB-CB 4.21Å; R48-D52 PolarHBondContact NE-O 3.01Å; K49-D52 PolarHBondContact O-N 2.96Å; L50-D52 PolarHBondContact O-N 3.45Å |
| 53 | Q | 97.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 107.7 Ų | 107.7 | 9% | 0.089 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -100.2 | 140.6 | 178.7 | -77 | -178 | 42 | 0 | 0 | 110.8 | R48 K49 L50 E57 | R48-Q53 HydrophobicContact CB-CG 4.27Å; R48-Q53 PolarHBondContact O-NE2 2.87Å; K49-Q53 WeakPolarHBondContact O-CG 3.08Å; K49-Q53 PolarHBondContact O-N 2.83Å; L50-Q53 PolarHBondContact O-N 2.93Å; Q53-E57 HydrophobicContact CB-CB 4.13Å; Q53-E57 HydrophobicContact CG-CB 4.43Å; Q53-E57 WeakPolarHBondContact CG-OE2 3.27Å |
| 54 | N | 96.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 104.4 Ų | 104.4 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | trans | -66.5 | 158.4 | 171.7 | -59.8 | -72.1 | 0 | 0 | 0 | 111 | Y56 E57 S60 | N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.02Å; N54-E57 HydrophobicContact CB-CG 4.12Å; N54-E57 PolarHBondContact N-OE1 2.86Å; N54-E57 PolarHBondContact ND2-OE1 3.25Å; N54-E57 WeakPolarHBondContact O-CB 3.35Å; N54-E57 PolarHBondContact O-N 2.81Å; N54-S60 WeakPolarHBondContact O-CB 3.12Å | ||
| 55 | E | 94.9 | Very high | 96.7 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -43.1 | -176.6 | -174.6 | 179 | 178.1 | 0 | 0 | 113.8 | E57 L61 R87 | E55-E57 VanDerWaalsContact C-N 3.35Å; E55-L61 PolarHBondContact O-N 3Å; E55-R87 IonicContact OE1-CZ 2.86Å; E55-R87 IonicContact OE1-NH1 3.64Å; E55-R87 PolarHBondContact OE1-NH1 2.94Å; E55-R87 IonicContact OE1-NH2 2.71Å |
| 56 | Y | 95.3 | Very high | 96.9 | Very high | 102 Ų | 102 | 91.1 Ų | 91.1 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.3 | -178.8 | -63.4 | -78.6 | 0 | 0 | 0 | 114 | N54 L61 E91 | N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.02Å; Y56-L61 HydrophobicContact CD1-CD1 4.02Å; Y56-E91 PolarHBondContact OH-OE1 2.98Å |
| 57 | E | 96.7 | Very high | 97 | Very high | 46 Ų | 46 | 86.7 Ų | 86.7 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -72.3 | 137.3 | 169.1 | -72.3 | -176.5 | -128.3 | 0 | 0 | 110.2 | R48 Q53 N54 E55 R59 S60 L61 | R48-E57 IonicContact CZ-OE1 3.6Å; R48-E57 IonicContact CZ-OE2 2.73Å; R48-E57 VanDerWaalsContact NH2-CD 3.28Å; R48-E57 IonicContact NH2-OE1 3.98Å; R48-E57 PolarHBondContact NH2-OE1 3.18Å; R48-E57 IonicContact NH2-OE2 3.95Å; R48-E57 PolarHBondContact NH2-OE2 3.23Å; Q53-E57 HydrophobicContact CB-CB 4.13Å; Q53-E57 HydrophobicContact CG-CB 4.43Å; Q53-E57 WeakPolarHBondContact CG-OE2 3.27Å; N54-E57 HydrophobicContact CB-CG 4.12Å; N54-E57 PolarHBondContact N-OE1 2.86Å; N54-E57 PolarHBondContact ND2-OE1 3.25Å; N54-E57 WeakPolarHBondContact O-CB 3.35Å; N54-E57 PolarHBondContact O-N 2.81Å; E55-E57 VanDerWaalsContact C-N 3.35Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.85Å; E57-S60 WeakPolarHBondContact O-CA 3.37Å; E57-S60 WeakPolarHBondContact O-CB 3.31Å; E57-S60 PolarHBondContact O-N 2.87Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 PolarHBondContact O-N 2.79Å |
| 58 | S | 97.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 84.5 Ų | 84.5 | 63% | 0.629 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.2 | -38.6 | -163.5 | -47.9 | 0 | 0 | 0 | 0 | 114.8 | W62 | S58-W62 WeakPolarHBondContact O-CB 3.35Å; S58-W62 VanDerWaalsContact O-CD1 3.31Å; S58-W62 PolarHBondContact O-N 3.05Å |
| 59 | R | 96.9 | Very high | 97.2 | Very high | 139 Ų | 139 | 82.3 Ų | 82.3 | 53% | 0.525 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.3 | -31.3 | 179.9 | -58.2 | -175.2 | 172.3 | -174.8 | -1.1 | 112.5 | L50 E57 K63 | L50-R59 HydrophobicContact CD2-CB 3.65Å; L50-R59 WeakPolarHBondContact CD2-O 2.99Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.85Å; R59-K63 WeakPolarHBondContact O-CA 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 2.71Å |
| 60 | S | 97.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 84.7 Ų | 84.7 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.5 | -52.5 | 173.8 | -164.3 | 0 | 0 | 0 | 0 | 110 | N54 E57 W62 K63 | N54-S60 WeakPolarHBondContact O-CB 3.12Å; E57-S60 WeakPolarHBondContact O-CA 3.37Å; E57-S60 WeakPolarHBondContact O-CB 3.31Å; E57-S60 PolarHBondContact O-N 2.87Å; S60-W62 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.26Å; S60-K63 VanDerWaalsContact O-CB 3.25Å; S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 3.03Å |
| 61 | L | 97.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 85.4 Ų | 85.4 | 18% | 0.178 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.7 | -41.7 | -177.5 | -169.6 | 64.8 | 0 | 0 | 0 | 112.8 | E55 Y56 E57 L84 | E55-L61 PolarHBondContact O-N 3Å; Y56-L61 HydrophobicContact CD1-CD1 4.02Å; E57-L61 WeakPolarHBondContact O-CB 3.46Å; E57-L61 PolarHBondContact O-N 2.79Å; L61-L84 HydrophobicContact CD1-CD1 3.65Å; L61-L84 HydrophobicContact CG-CD1 3.8Å; L61-L84 VanDerWaalsContact O-CD1 3.24Å; L61-L84 WeakPolarHBondContact O-CD1 3.28Å |
| 62 | W | 98.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 88.7 Ų | 88.7 | 34% | 0.337 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 13.5 | -177.8 | -67.5 | 94 | 0 | 0 | 0 | 114 | S58 S60 D64 V65 T66 K81 L84 | S58-W62 WeakPolarHBondContact O-CB 3.35Å; S58-W62 VanDerWaalsContact O-CD1 3.31Å; S58-W62 PolarHBondContact O-N 3.05Å; S60-W62 VanDerWaalsContact C-N 3.34Å; S60-W62 PolarHBondContact O-N 3.26Å; W62-D64 PolarHBondContact O-N 2.87Å; W62-V65 HydrophobicContact CE3-CB 3.95Å; W62-V65 HydrophobicContact CE3-CG1 4.11Å; W62-V65 HydrophobicContact CE3-CG2 3.81Å; W62-V65 HydrophobicContact CZ3-CG1 4.37Å; W62-V65 HydrophobicContact CZ3-CG2 4.11Å; W62-V65 PolarHBondContact O-N 2.61Å; W62-T66 HydrophobicContact CB-CG2 4.25Å; W62-T66 WeakPolarHBondContact O-CB 3.16Å; W62-T66 WeakPolarHBondContact O-CG2 3.36Å; W62-T66 PolarHBondContact O-N 3.34Å; W62-T66 PolarHBondContact O-OG1 3.02Å; W62-K81 HydrophobicContact CZ3-CG 4.25Å; W62-L84 HydrophobicContact CD2-CD2 4.1Å; W62-L84 HydrophobicContact CE3-CD2 4.06Å; W62-L84 HydrophobicContact CH2-CD2 3.51Å; W62-L84 HydrophobicContact CZ2-CD2 3.54Å; W62-L84 HydrophobicContact CZ3-CD2 3.77Å |
| 63 | K | 97.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 87.4 Ų | 87.4 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -53.9 | -51.4 | -173.4 | 178.4 | -170.5 | 170.4 | -165.7 | 0 | 112.3 | L50 R59 S60 T66 F67 | L50-K63 HydrophobicContact CD1-CD 4.31Å; L50-K63 HydrophobicContact CD1-CG 4.34Å; R59-K63 WeakPolarHBondContact O-CA 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 2.71Å; S60-K63 VanDerWaalsContact O-CB 3.25Å; S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 3.03Å; K63-T66 PolarHBondContact O-N 2.86Å; K63-T66 PolarHBondContact O-OG1 3.05Å; K63-T66 VanDerWaalsContact O-OG1 3.06Å; K63-F67 VanDerWaalsContact O-CB 3.27Å; K63-F67 WeakPolarHBondContact O-CB 3.27Å; K63-F67 PolarHBondContact O-N 2.91Å |
| 64 | D | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 91.3 Ų | 91.3 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.3 | -40.7 | -173.4 | -65.2 | -15 | 0 | 0 | 0 | 111.9 | W62 F67 N68 A80 | W62-D64 PolarHBondContact O-N 2.87Å; D64-F67 PolarHBondContact O-N 2.93Å; D64-N68 WeakPolarHBondContact O-CB 3.25Å; D64-N68 VanDerWaalsContact O-CG 3.3Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 2.72Å; D64-A80 HydrophobicContact CB-CB 3.99Å |
| 65 | V | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 92.9 Ų | 92.9 | 9% | 0.085 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | W62 F67 N68 L69 A80 K81 | W62-V65 HydrophobicContact CE3-CB 3.95Å; W62-V65 HydrophobicContact CE3-CG1 4.11Å; W62-V65 HydrophobicContact CE3-CG2 3.81Å; W62-V65 HydrophobicContact CZ3-CG1 4.37Å; W62-V65 HydrophobicContact CZ3-CG2 4.11Å; W62-V65 PolarHBondContact O-N 2.61Å; V65-F67 PolarHBondContact O-N 3.07Å; V65-N68 PolarHBondContact O-N 3.26Å; V65-L69 HydrophobicContact CG1-CD1 4.04Å; V65-L69 HydrophobicContact CG1-CG 4.5Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 3.24Å; V65-A80 HydrophobicContact CG2-CB 3.84Å; V65-K81 HydrophobicContact CG2-CB 4.04Å |
| 66 | T | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 89.3 Ų | 89.3 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.4 | -32.2 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | W62 K63 K70 | W62-T66 HydrophobicContact CB-CG2 4.25Å; W62-T66 WeakPolarHBondContact O-CB 3.16Å; W62-T66 WeakPolarHBondContact O-CG2 3.36Å; W62-T66 PolarHBondContact O-N 3.34Å; W62-T66 PolarHBondContact O-OG1 3.02Å; K63-T66 PolarHBondContact O-N 2.86Å; K63-T66 PolarHBondContact O-OG1 3.05Å; K63-T66 VanDerWaalsContact O-OG1 3.06Å; T66-K70 WeakPolarHBondContact O-CB 3.35Å; T66-K70 PolarHBondContact O-N 3.23Å |
| 67 | F | 98.3 | Very high | 98.1 | Very high | 120 Ų | 120 | 84.7 Ų | 84.7 | 53% | 0.526 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 172.4 | 176.8 | -97.2 | 0 | 0 | 0 | 111.5 | K63 D64 V65 L69 K70 I71 | K63-F67 VanDerWaalsContact O-CB 3.27Å; K63-F67 WeakPolarHBondContact O-CB 3.27Å; K63-F67 PolarHBondContact O-N 2.91Å; D64-F67 PolarHBondContact O-N 2.93Å; V65-F67 PolarHBondContact O-N 3.07Å; F67-L69 PolarHBondContact O-N 2.95Å; F67-K70 WeakPolarHBondContact O-CB 3.35Å; F67-K70 PolarHBondContact O-N 3.18Å; F67-K70 VanDerWaalsContact O-N 3.11Å; F67-I71 HydrophobicContact CD1-CD1 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.94Å; F67-I71 HydrophobicContact CZ-CD1 4.49Å; F67-I71 HydrophobicContact CZ-CG2 4.4Å; F67-I71 PolarHBondContact O-N 2.89Å; F67-I71 VanDerWaalsContact O-N 3.15Å |
| 68 | N | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 86.2 Ų | 86.2 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | -179.9 | -69.5 | -25.6 | 0 | 0 | 0 | 111.9 | D64 V65 K70 I71 R72 D73 A76 A77 | D64-N68 WeakPolarHBondContact O-CB 3.25Å; D64-N68 VanDerWaalsContact O-CG 3.3Å; D64-N68 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-ND2 2.72Å; V65-N68 PolarHBondContact O-N 3.26Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.02Å; N68-I71 CarbonylContact O-C 3.56Å; N68-I71 VanDerWaalsContact O-CG1 3.29Å; N68-I71 WeakPolarHBondContact O-CG1 3.48Å; N68-I71 PolarHBondContact O-N 3.47Å; N68-R72 PolarHBondContact O-N 3.15Å; N68-D73 HydrophobicContact CB-CB 4.49Å; N68-D73 PolarHBondContact O-N 2.88Å; N68-A76 HydrophobicContact CB-CB 4.16Å; N68-A76 VanDerWaalsContact ND2-C 3.27Å; N68-A76 WeakPolarHBondContact ND2-CB 3.47Å; N68-A76 PolarHBondContact ND2-O 3.48Å; N68-A76 VanDerWaalsContact ND2-O 3.08Å; N68-A77 HydrophobicContact CB-CB 3.73Å |
| 69 | L | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 86.9 Ų | 86.9 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59 | -40 | 172 | -73 | 174.1 | 0 | 0 | 0 | 112.5 | V65 F67 I71 R72 I74 A77 | V65-L69 HydrophobicContact CG1-CD1 4.04Å; V65-L69 HydrophobicContact CG1-CG 4.5Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 3.24Å; F67-L69 PolarHBondContact O-N 2.95Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.26Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L69-I74 HydrophobicContact CD2-CD1 4.33Å; L69-A77 HydrophobicContact CD2-CB 3.98Å; L69-A77 HydrophobicContact CG-CB 3.99Å |
| 70 | K | 98.2 | Very high | 98.3 | Very high | 180 Ų | 180 | 80.6 Ų | 80.6 | 78% | 0.783 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 179.8 | -176 | -179.4 | 178.5 | -174.2 | 0 | 112.3 | T66 F67 N68 R72 | T66-K70 WeakPolarHBondContact O-CB 3.35Å; T66-K70 PolarHBondContact O-N 3.23Å; F67-K70 WeakPolarHBondContact O-CB 3.35Å; F67-K70 PolarHBondContact O-N 3.18Å; F67-K70 VanDerWaalsContact O-N 3.11Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.02Å; K70-R72 VanDerWaalsContact C-N 3.27Å |
| 71 | I | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 82.9 Ų | 82.9 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.7 | 175.5 | 66.2 | 169.1 | 0 | 0 | 0 | 113 | F67 N68 L69 D73 | F67-I71 HydrophobicContact CD1-CD1 4.49Å; F67-I71 HydrophobicContact CE1-CD1 3.94Å; F67-I71 HydrophobicContact CZ-CD1 4.49Å; F67-I71 HydrophobicContact CZ-CG2 4.4Å; F67-I71 PolarHBondContact O-N 2.89Å; F67-I71 VanDerWaalsContact O-N 3.15Å; N68-I71 CarbonylContact O-C 3.56Å; N68-I71 VanDerWaalsContact O-CG1 3.29Å; N68-I71 WeakPolarHBondContact O-CG1 3.48Å; N68-I71 PolarHBondContact O-N 3.47Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.26Å; I71-D73 HydrophobicContact CD1-CB 4.06Å; I71-D73 HydrophobicContact CG1-CB 3.98Å; I71-D73 PolarHBondContact O-N 3.47Å |
| 72 | R | 98.2 | Very high | 98.4 | Very high | 216 Ų | 216 | 86.1 Ų | 86.1 | 82% | 0.815 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 26.3 | -179.4 | -56.2 | 177.7 | 165.7 | 175.5 | -5.2 | 114.4 | N68 L69 K70 I74 | N68-R72 PolarHBondContact O-N 3.15Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.12Å; K70-R72 VanDerWaalsContact C-N 3.27Å; R72-I74 PolarHBondContact O-N 3.11Å |
| 73 | D | 98.4 | Very high | 98.4 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 35% | 0.353 | 43% | 0.425 | S | S | . | . | trans | -86.8 | 92.4 | 170.2 | -170.4 | -23.4 | 0 | 0 | 0 | 109 | N68 I71 D75 A76 A77 | N68-D73 HydrophobicContact CB-CB 4.49Å; N68-D73 PolarHBondContact O-N 2.88Å; I71-D73 HydrophobicContact CD1-CB 4.06Å; I71-D73 HydrophobicContact CG1-CB 3.98Å; I71-D73 PolarHBondContact O-N 3.47Å; D73-D75 PolarHBondContact OD1-N 3.42Å; D73-A76 HydrophobicContact CB-CB 4.16Å; D73-A76 VanDerWaalsContact OD1-CB 3.29Å; D73-A76 WeakPolarHBondContact OD1-CB 3.38Å; D73-A76 PolarHBondContact OD1-N 3.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.48Å; D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å; D73-A77 VanDerWaalsContact O-N 3.09Å | ||
| 74 | I | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 52% | 0.518 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.9 | -35.4 | -174.1 | -56.9 | -55.2 | 0 | 0 | 0 | 111.6 | L69 R72 A77 T78 | L69-I74 HydrophobicContact CD2-CD1 4.33Å; R72-I74 PolarHBondContact O-N 3.11Å; I74-A77 PolarHBondContact O-N 3.35Å; I74-T78 WeakPolarHBondContact O-CB 3.35Å; I74-T78 PolarHBondContact O-N 3.33Å; I74-T78 PolarHBondContact O-OG1 3.06Å |
| 75 | D | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 82.9 Ų | 82.9 | 69% | 0.69 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.3 | -48.4 | 180 | -64.4 | -25.4 | 0 | 0 | 0 | 109.7 | D73 A77 T78 E79 | D73-D75 PolarHBondContact OD1-N 3.42Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.19Å; D75-T78 PolarHBondContact O-N 3.31Å; D75-E79 PolarHBondContact O-N 2.89Å |
| 76 | A | 98.6 | Very high | 98.4 | Very high | 28 Ų | 28 | 85.2 Ų | 85.2 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.4 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N68 D73 A80 | N68-A76 HydrophobicContact CB-CB 4.16Å; N68-A76 VanDerWaalsContact ND2-C 3.27Å; N68-A76 WeakPolarHBondContact ND2-CB 3.47Å; N68-A76 PolarHBondContact ND2-O 3.48Å; N68-A76 VanDerWaalsContact ND2-O 3.08Å; D73-A76 HydrophobicContact CB-CB 4.16Å; D73-A76 VanDerWaalsContact OD1-CB 3.29Å; D73-A76 WeakPolarHBondContact OD1-CB 3.38Å; D73-A76 PolarHBondContact OD1-N 3.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.48Å; A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.43Å |
| 77 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 85.8 Ų | 85.8 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N68 L69 D73 I74 D75 A80 K81 | N68-A77 HydrophobicContact CB-CB 3.73Å; L69-A77 HydrophobicContact CD2-CB 3.98Å; L69-A77 HydrophobicContact CG-CB 3.99Å; D73-A77 VanDerWaalsContact O-CB 3.31Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.36Å; D73-A77 VanDerWaalsContact O-N 3.09Å; I74-A77 PolarHBondContact O-N 3.35Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 3.05Å; A77-K81 WeakPolarHBondContact O-CB 3.1Å; A77-K81 PolarHBondContact O-N 2.56Å |
| 78 | T | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 83.2 Ų | 83.2 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | I74 D75 A80 K81 H82 | I74-T78 WeakPolarHBondContact O-CB 3.35Å; I74-T78 PolarHBondContact O-N 3.33Å; I74-T78 PolarHBondContact O-OG1 3.06Å; D75-T78 PolarHBondContact O-N 3.31Å; T78-A80 PolarHBondContact O-N 2.87Å; T78-K81 PolarHBondContact O-N 2.83Å; T78-H82 WeakPolarHBondContact O-CB 3.29Å; T78-H82 PolarHBondContact O-N 3.01Å |
| 79 | E | 98.7 | Very high | 98.3 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 49% | 0.486 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.5 | -79.3 | -60.3 | 132.4 | 0 | 0 | 112.3 | D75 K81 H82 R83 | D75-E79 PolarHBondContact O-N 2.89Å; E79-K81 PolarHBondContact O-N 2.96Å; E79-H82 PolarHBondContact O-N 3.41Å; E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 3.22Å |
| 80 | A | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 85.7 Ų | 85.7 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D64 V65 A76 A77 T78 L84 | D64-A80 HydrophobicContact CB-CB 3.99Å; V65-A80 HydrophobicContact CG2-CB 3.84Å; A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.46Å; A76-A80 PolarHBondContact O-N 3.43Å; A77-A80 PolarHBondContact O-N 3.05Å; T78-A80 PolarHBondContact O-N 2.87Å; A80-L84 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-N 3.13Å |
| 81 | K | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 175.9 | 177.3 | 179.3 | -177.3 | -70.4 | 0 | 111 | W62 V65 A77 T78 E79 L84 E85 | W62-K81 HydrophobicContact CZ3-CG 4.25Å; V65-K81 HydrophobicContact CG2-CB 4.04Å; A77-K81 WeakPolarHBondContact O-CB 3.1Å; A77-K81 PolarHBondContact O-N 2.56Å; T78-K81 PolarHBondContact O-N 2.83Å; E79-K81 PolarHBondContact O-N 2.96Å; K81-L84 WeakPolarHBondContact O-CB 3.41Å; K81-L84 PolarHBondContact O-N 3.39Å; K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.42Å; K81-E85 IonicContact NZ-OE1 2.67Å; K81-E85 PolarHBondContact NZ-OE1 3.23Å; K81-E85 IonicContact NZ-OE2 2.59Å; K81-E85 PolarHBondContact NZ-OE2 3.08Å; K81-E85 WeakPolarHBondContact O-CG 3.24Å; K81-E85 PolarHBondContact O-N 3.12Å |
| 82 | H | 98.6 | Very high | 98 | Very high | 102 Ų | 102 | 76.6 Ų | 76.6 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 179.7 | -178.3 | -96.6 | 0 | 0 | 0 | 111.5 | T78 E79 L84 E85 E86 | T78-H82 WeakPolarHBondContact O-CB 3.29Å; T78-H82 PolarHBondContact O-N 3.01Å; E79-H82 PolarHBondContact O-N 3.41Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 2.93Å; H82-E85 PolarHBondContact O-N 3.02Å; H82-E86 WeakPolarHBondContact O-CB 3.29Å; H82-E86 PolarHBondContact O-N 3.39Å |
| 83 | R | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 72.4 Ų | 72.4 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 176 | -72.3 | -169.5 | -57.2 | -90.2 | 5.1 | 112.3 | E79 R87 | E79-R83 WeakPolarHBondContact O-CG 3.31Å; E79-R83 PolarHBondContact O-N 3.22Å; R83-R87 WeakPolarHBondContact O-CB 3.41Å; R83-R87 PolarHBondContact O-N 2.97Å; R83-R87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -51.5 | 178.1 | -174.6 | 101.1 | 0 | 0 | 0 | 111.8 | L61 W62 A80 K81 H82 R87 Q88 | L61-L84 HydrophobicContact CD1-CD1 3.65Å; L61-L84 HydrophobicContact CG-CD1 3.8Å; L61-L84 VanDerWaalsContact O-CD1 3.24Å; L61-L84 WeakPolarHBondContact O-CD1 3.28Å; W62-L84 HydrophobicContact CD2-CD2 4.1Å; W62-L84 HydrophobicContact CE3-CD2 4.06Å; W62-L84 HydrophobicContact CH2-CD2 3.51Å; W62-L84 HydrophobicContact CZ2-CD2 3.54Å; W62-L84 HydrophobicContact CZ3-CD2 3.77Å; A80-L84 PolarHBondContact O-N 3.42Å; A80-L84 VanDerWaalsContact O-N 3.13Å; K81-L84 WeakPolarHBondContact O-CB 3.41Å; K81-L84 PolarHBondContact O-N 3.39Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-L84 PolarHBondContact O-N 2.93Å; L84-R87 PolarHBondContact O-N 2.7Å; L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.32Å; L84-Q88 VanDerWaalsContact O-N 3.09Å |
| 85 | E | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | -176.3 | -71.1 | 178.3 | 156 | 0 | 0 | 112.2 | K81 H82 Q88 R89 | K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.42Å; K81-E85 IonicContact NZ-OE1 2.67Å; K81-E85 PolarHBondContact NZ-OE1 3.23Å; K81-E85 IonicContact NZ-OE2 2.59Å; K81-E85 PolarHBondContact NZ-OE2 3.08Å; K81-E85 WeakPolarHBondContact O-CG 3.24Å; K81-E85 PolarHBondContact O-N 3.12Å; H82-E85 PolarHBondContact O-N 3.02Å; E85-Q88 PolarHBondContact O-N 3.45Å; E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.22Å |
| 86 | E | 98.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 73.9 Ų | 73.9 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 175.7 | -171.4 | 53.3 | -140.2 | 0 | 0 | 111.6 | H82 R89 A90 R93 | H82-E86 WeakPolarHBondContact O-CB 3.29Å; H82-E86 PolarHBondContact O-N 3.39Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 IonicContact OE2-CZ 2.82Å; E86-R89 IonicContact OE2-NH1 3.74Å; E86-R89 PolarHBondContact OE2-NH1 2.98Å; E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.09Å; E86-R93 IonicContact OE1-NH2 3.73Å; E86-R93 PolarHBondContact OE1-NH2 3.27Å |
| 87 | R | 97.3 | Very high | 97.6 | Very high | 91 Ų | 91 | 80 Ų | 80 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.2 | -50 | 171.4 | -176.5 | 175.9 | 68.5 | 157.4 | 5.7 | 111.3 | E55 R83 L84 R89 A90 E91 | E55-R87 IonicContact OE1-CZ 2.86Å; E55-R87 IonicContact OE1-NH1 3.64Å; E55-R87 PolarHBondContact OE1-NH1 2.94Å; E55-R87 IonicContact OE1-NH2 2.71Å; R83-R87 WeakPolarHBondContact O-CB 3.41Å; R83-R87 PolarHBondContact O-N 2.97Å; R83-R87 VanDerWaalsContact O-N 3.08Å; L84-R87 PolarHBondContact O-N 2.7Å; R87-R89 VanDerWaalsContact C-N 3.29Å; R87-R89 PolarHBondContact O-N 2.78Å; R87-A90 PolarHBondContact O-N 2.92Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 2.99Å |
| 88 | Q | 96.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 85.5 Ų | 85.5 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 177.8 | -66.9 | -65.7 | 104.3 | 0 | 0 | 112.2 | L84 E85 A92 | L84-Q88 WeakPolarHBondContact O-CG 3.44Å; L84-Q88 PolarHBondContact O-N 3.32Å; L84-Q88 VanDerWaalsContact O-N 3.09Å; E85-Q88 PolarHBondContact O-N 3.45Å; Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.94Å |
| 89 | R | 98.2 | Very high | 97.4 | Very high | 126 Ų | 126 | 90 Ų | 90 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 176.5 | -173.3 | -179.3 | -66.8 | 102.9 | 5.2 | 111.9 | E85 E86 R87 A92 R93 | E85-R89 WeakPolarHBondContact O-CB 3.46Å; E85-R89 PolarHBondContact O-N 3.22Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 IonicContact OE2-CZ 2.82Å; E86-R89 IonicContact OE2-NH1 3.74Å; E86-R89 PolarHBondContact OE2-NH1 2.98Å; R87-R89 VanDerWaalsContact C-N 3.29Å; R87-R89 PolarHBondContact O-N 2.78Å; R89-A92 PolarHBondContact O-N 3.38Å; R89-R93 WeakPolarHBondContact O-CG 3.38Å; R89-R93 PolarHBondContact O-N 3.4Å |
| 90 | A | 97.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 89.6 Ų | 89.6 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E86 R87 A92 R93 E94 | E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.09Å; R87-A90 PolarHBondContact O-N 2.92Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 3.5Å; A90-R93 WeakPolarHBondContact O-CB 3.37Å; A90-R93 PolarHBondContact O-N 3.35Å; A90-R93 VanDerWaalsContact O-N 3.16Å; A90-E94 PolarHBondContact O-N 2.93Å |
| 91 | E | 95.5 | Very high | 96.9 | Very high | 29 Ų | 29 | 96.9 Ų | 96.9 | 14% | 0.136 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 177 | -63.1 | 175.9 | -167.5 | 0 | 0 | 111.9 | Y56 R87 E94 R95 | Y56-E91 PolarHBondContact OH-OE1 2.98Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 2.99Å; E91-E94 PolarHBondContact O-N 2.79Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.31Å; E91-R95 PolarHBondContact O-NH1 3.28Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH1 2.78Å; E91-R95 IonicContact OE2-NH2 2.65Å; E91-R95 PolarHBondContact OE2-NH2 3.13Å |
| 92 | A | 95.8 | Very high | 96.6 | Very high | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q88 R89 A90 R95 K96 | Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.94Å; R89-A92 PolarHBondContact O-N 3.38Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 3.5Å; A92-R95 PolarHBondContact O-N 2.97Å; A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | R | 97.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 103.8 Ų | 103.8 | 48% | 0.483 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 172.9 | -76.5 | -175.7 | -76.8 | 160.7 | -9.4 | 111.1 | E86 R89 A90 R95 K96 E97 | E86-R93 IonicContact OE1-NH2 3.73Å; E86-R93 PolarHBondContact OE1-NH2 3.27Å; R89-R93 WeakPolarHBondContact O-CG 3.38Å; R89-R93 PolarHBondContact O-N 3.4Å; A90-R93 WeakPolarHBondContact O-CB 3.37Å; A90-R93 PolarHBondContact O-N 3.35Å; A90-R93 VanDerWaalsContact O-N 3.16Å; R93-R95 PolarHBondContact O-N 3.09Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 3.48Å; R93-K96 VanDerWaalsContact O-N 3.16Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.84Å |
| 94 | E | 97.4 | Very high | 96 | Very high | 92 Ų | 92 | 100.3 Ų | 100.3 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 178.3 | -176 | -178.3 | -174 | 0 | 0 | 112 | A90 E91 K96 E97 K98 | A90-E94 PolarHBondContact O-N 2.93Å; E91-E94 PolarHBondContact O-N 2.79Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.34Å; E94-E97 PolarHBondContact O-N 3.08Å; E94-K98 HydrophobicContact CG-CD 4.12Å; E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.19Å; E94-K98 PolarHBondContact O-N 2.89Å; E94-K98 WeakPolarHBondContact OE1-CE 3.41Å; E94-K98 IonicContact OE1-NZ 2.72Å; E94-K98 PolarHBondContact OE1-NZ 2.65Å |
| 95 | R | 97 | Very high | 95.8 | Very high | 62 Ų | 62 | 109.1 Ų | 109.1 | 23% | 0.234 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59 | -45 | 174.9 | -73 | 174.5 | -164.5 | 101.3 | 4.1 | 111.4 | E91 A92 R93 K98 E99 I100 | E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.31Å; E91-R95 PolarHBondContact O-NH1 3.28Å; E91-R95 IonicContact OE2-CZ 2.71Å; E91-R95 IonicContact OE2-NH1 2.78Å; E91-R95 IonicContact OE2-NH2 2.65Å; E91-R95 PolarHBondContact OE2-NH2 3.13Å; A92-R95 PolarHBondContact O-N 2.97Å; R93-R95 PolarHBondContact O-N 3.09Å; R95-K98 CarbonylContact O-C 3.56Å; R95-K98 PolarHBondContact O-N 3.37Å; R95-E99 PolarHBondContact O-N 2.95Å; R95-E99 VanDerWaalsContact O-N 3.1Å; R95-I100 HydrophobicContact CB-CB 4.46Å; R95-I100 PolarHBondContact O-N 3.34Å |
| 96 | K | 95.8 | Very high | 95.6 | Very high | 174 Ų | 174 | 110.5 Ų | 110.5 | 76% | 0.757 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 178 | -174.8 | -178.6 | 178.4 | -177.7 | 0 | 112.1 | A92 R93 E94 K98 E99 | A92-K96 PolarHBondContact O-N 3.45Å; A92-K96 VanDerWaalsContact O-N 3.08Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 3.48Å; R93-K96 VanDerWaalsContact O-N 3.16Å; E94-K96 VanDerWaalsContact C-N 3.33Å; E94-K96 PolarHBondContact O-N 3.34Å; K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 2.71Å; K96-E99 PolarHBondContact O-N 3.19Å; K96-E99 VanDerWaalsContact O-N 3.11Å |
| 97 | E | 97.1 | Very high | 95.5 | Very high | 155 Ų | 155 | 111.8 Ų | 111.8 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -32.6 | 178.7 | -74 | 170.7 | -172.4 | 0 | 0 | 112.4 | R93 E94 E99 | R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 2.84Å; E94-E97 PolarHBondContact O-N 3.08Å; E97-E99 VanDerWaalsContact C-N 3.33Å |
| 98 | K | 97.2 | Very high | 95.3 | Very high | 121 Ų | 121 | 111.8 Ų | 111.8 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.8 | 175.7 | -65.2 | -179.5 | -175 | 176.8 | 0 | 113.9 | E94 R95 K96 I100 | E94-K98 HydrophobicContact CG-CD 4.12Å; E94-K98 WeakPolarHBondContact O-CB 3.38Å; E94-K98 WeakPolarHBondContact O-CG 3.19Å; E94-K98 PolarHBondContact O-N 2.89Å; E94-K98 WeakPolarHBondContact OE1-CE 3.41Å; E94-K98 IonicContact OE1-NZ 2.72Å; E94-K98 PolarHBondContact OE1-NZ 2.65Å; R95-K98 CarbonylContact O-C 3.56Å; R95-K98 PolarHBondContact O-N 3.37Å; K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 2.71Å; K98-I100 HydrophobicContact CB-CD1 3.66Å; K98-I100 HydrophobicContact CB-CG1 3.76Å; K98-I100 HydrophobicContact CD-CD1 3.89Å; K98-I100 HydrophobicContact CG-CD1 4.45Å; K98-I100 PolarHBondContact O-N 2.91Å; K98-I100 VanDerWaalsContact O-N 3.15Å |
| 99 | E | 95.9 | Very high | 95.2 | Very high | 174 Ų | 174 | 115.1 Ų | 115.1 | 81% | 0.813 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.7 | -174.9 | -55.4 | -175.9 | 148.8 | 0 | 0 | 113.6 | R95 K96 E97 | R95-E99 PolarHBondContact O-N 2.95Å; R95-E99 VanDerWaalsContact O-N 3.1Å; K96-E99 PolarHBondContact O-N 3.19Å; K96-E99 VanDerWaalsContact O-N 3.11Å; E97-E99 VanDerWaalsContact C-N 3.33Å |
| 100 | I | 95.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 114.1 Ų | 114.1 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 121.7 | 177.8 | -61.7 | 171 | 0 | 0 | 0 | 108.7 | R95 K98 | R95-I100 HydrophobicContact CB-CB 4.46Å; R95-I100 PolarHBondContact O-N 3.34Å; K98-I100 HydrophobicContact CB-CD1 3.66Å; K98-I100 HydrophobicContact CB-CG1 3.76Å; K98-I100 HydrophobicContact CD-CD1 3.89Å; K98-I100 HydrophobicContact CG-CD1 4.45Å; K98-I100 PolarHBondContact O-N 2.91Å; K98-I100 VanDerWaalsContact O-N 3.15Å |
| 101 | Q | 91.4 | Very high | 94.4 | Very high | 159 Ų | 159 | 115.8 Ų | 115.8 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 145.2 | 172.9 | -66.7 | -61.5 | -26.8 | 0 | 0 | 111.1 | ||
| 102 | W | 91.3 | Very high | 94.2 | Very high | 168 Ų | 168 | 124.1 Ų | 124.1 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.8 | 173.1 | 173.1 | -96.3 | 0 | 0 | 0 | 109.9 | ||
| 103 | E | 90.9 | Very high | 94 | Very high | 163 Ų | 163 | 125.5 Ų | 125.5 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | trans | -110.7 | 129.7 | 176 | -66.7 | -177.3 | 176.8 | 0 | 0 | 110.9 | ||||
| 104 | T | 93.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 126 Ų | 126 | 37% | 0.374 | 60% | 0.599 | S | S | . | * | trans | -77.2 | 143.5 | 172.7 | 40 | 0 | 0 | 0 | 0 | 110.6 | F107 W114 | T104-F107 VanDerWaalsContact CB-O 3.29Å; T104-F107 WeakPolarHBondContact CB-O 3.39Å; T104-F107 PolarHBondContact OG1-O 3.26Å; T104-W114 HydrophobicContact CG2-CH2 3.92Å; T104-W114 HydrophobicContact CG2-CZ3 3.77Å | ||
| 105 | R | 93.6 | Very high | 93.6 | Very high | 204 Ų | 204 | 124 Ų | 124 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -85.7 | -20.8 | -173 | -63.2 | -180 | 110.2 | -171.2 | 5.5 | 115.3 | ||
| 106 | L | 94.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 124.9 Ų | 124.9 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -137.4 | -8.9 | -163.9 | -71.3 | -178.6 | 0 | 0 | 0 | 113.5 | Y116 D117 | L106-Y116 HydrophobicContact CB-CD2 4.34Å; L106-Y116 HydrophobicContact CB-CE2 3.99Å; L106-Y116 HydrophobicContact CD2-CE2 4.34Å; L106-Y116 WeakPolarHBondContact O-CD2 3.34Å; L106-Y116 WeakPolarHBondContact O-CE2 3.29Å; L106-D117 VanDerWaalsContact C-CG 3.44Å; L106-D117 WeakPolarHBondContact CA-OD2 3.35Å; L106-D117 VanDerWaalsContact O-CG 3.31Å; L106-D117 PolarHBondContact O-N 2.98Å |
| 107 | F | 95.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 119 Ų | 119 | 40% | 0.395 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.3 | -176.6 | -67.4 | -101 | 0 | 0 | 0 | 108.5 | T104 W114 V115 Y116 D117 | T104-F107 VanDerWaalsContact CB-O 3.29Å; T104-F107 WeakPolarHBondContact CB-O 3.39Å; T104-F107 PolarHBondContact OG1-O 3.26Å; F107-W114 HydrophobicContact CB-CE3 3.89Å; F107-W114 HydrophobicContact CB-CZ3 4.5Å; F107-V115 CarbonylContact C-O 3.57Å; F107-V115 WeakPolarHBondContact CA-O 3.36Å; F107-Y116 VanDerWaalsContact CD1-CA 3.43Å; F107-Y116 HydrophobicContact CD1-CD2 4.34Å; F107-Y116 HydrophobicContact CD2-CD2 4.2Å; F107-Y116 VanDerWaalsContact CE1-CB 3.5Å; F107-Y116 AromaticContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CG 4.13Å; F107-Y116 AromaticContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CE2 4.44Å; F107-Y116 HydrophobicContact CG-CD2 4.45Å; F107-Y116 AromaticContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CG 4.15Å; F107-D117 PolarHBondContact N-OD2 3.35Å |
| 108 | H | 94 | Very high | 93 | Very high | 90 Ų | 90 | 115.5 Ų | 115.5 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 159.6 | 168.7 | 61.9 | -80.4 | 0 | 0 | 0 | 110.6 | V115 D117 | H108-V115 PolarHBondContact N-O 3.49Å; H108-V115 PolarHBondContact O-N 2.96Å; H108-D117 IonicContact CE1-OD1 2.7Å; H108-D117 IonicContact CG-OD1 3.61Å; H108-D117 PolarHBondContact N-OD1 3.44Å; H108-D117 IonicContact ND1-OD1 3.5Å; H108-D117 PolarHBondContact ND1-OD1 3.08Å |
| 109 | E | 93.2 | Very high | 92.6 | Very high | 136 Ų | 136 | 112 Ų | 112 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132.5 | 173.3 | -64.3 | -176.6 | 162.3 | 0 | 0 | 110 | W114 | E109-W114 HydrophobicContact CG-CD2 4.05Å; E109-W114 HydrophobicContact CG-CE3 3.98Å; E109-W114 HydrophobicContact CG-CH2 3.41Å; E109-W114 VanDerWaalsContact CG-CH2 3.41Å; E109-W114 HydrophobicContact CG-CZ2 3.45Å; E109-W114 VanDerWaalsContact CG-CZ2 3.45Å; E109-W114 HydrophobicContact CG-CZ3 3.68Å; E109-W114 WeakPolarHBondContact OE1-CZ2 3.39Å |
| 110 | D | 90.7 | Very high | 92.1 | Very high | 105 Ų | 105 | 108.7 Ų | 108.7 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 95.8 | 170.2 | -177 | 18 | 0 | 0 | 0 | 108.1 | E112 C113 V115 | D110-E112 PolarHBondContact O-N 3.36Å; D110-C113 PolarHBondContact N-O 3.24Å; D110-C113 PolarHBondContact O-N 2.59Å; D110-V115 HydrophobicContact CB-CG2 3.67Å |
| 111 | G | 90.2 | Very high | 91.6 | Very high | 75 Ų | 75 | 111.4 Ų | 111.4 | 77% | 0.773 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -117.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 112 | E | 91 | Very high | 91.2 | Very high | 204 Ų | 204 | 109 Ų | 109 | 95% | 0.953 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.8 | 176.9 | -60.9 | -175.2 | 168 | 0 | 0 | 113 | D110 | D110-E112 PolarHBondContact O-N 3.36Š|
| 113 | C | 91.3 | Very high | 90.5 | Very high | 82 Ų | 82 | 107.2 Ų | 107.2 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 155 | -175.7 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | D110 | D110-C113 PolarHBondContact N-O 3.24Å; D110-C113 PolarHBondContact O-N 2.59Å |
| 114 | W | 92.5 | Very high | 90 | Very high | 138 Ų | 138 | 104.8 Ų | 104.8 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125 | 169.1 | -74.7 | 88.9 | 0 | 0 | 0 | 109.9 | T104 F107 E109 | T104-W114 HydrophobicContact CG2-CH2 3.92Å; T104-W114 HydrophobicContact CG2-CZ3 3.77Å; F107-W114 HydrophobicContact CB-CE3 3.89Å; F107-W114 HydrophobicContact CB-CZ3 4.5Å; E109-W114 HydrophobicContact CG-CD2 4.05Å; E109-W114 HydrophobicContact CG-CE3 3.98Å; E109-W114 HydrophobicContact CG-CH2 3.41Å; E109-W114 VanDerWaalsContact CG-CH2 3.41Å; E109-W114 HydrophobicContact CG-CZ2 3.45Å; E109-W114 VanDerWaalsContact CG-CZ2 3.45Å; E109-W114 HydrophobicContact CG-CZ3 3.68Å; E109-W114 WeakPolarHBondContact OE1-CZ2 3.39Å |
| 115 | V | 92.8 | Very high | 88.6 | Confident | 50 Ų | 50 | 104.2 Ų | 104.2 | 30% | 0.303 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.5 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | F107 H108 D110 | F107-V115 CarbonylContact C-O 3.57Å; F107-V115 WeakPolarHBondContact CA-O 3.36Å; H108-V115 PolarHBondContact N-O 3.49Å; H108-V115 PolarHBondContact O-N 2.96Å; D110-V115 HydrophobicContact CB-CG2 3.67Å |
| 116 | Y | 93.8 | Very high | 87 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.1 | 172.7 | -177.9 | -126.7 | 0 | 0 | 0 | 109.5 | L106 F107 E118 P119 | L106-Y116 HydrophobicContact CB-CD2 4.34Å; L106-Y116 HydrophobicContact CB-CE2 3.99Å; L106-Y116 HydrophobicContact CD2-CE2 4.34Å; L106-Y116 WeakPolarHBondContact O-CD2 3.34Å; L106-Y116 WeakPolarHBondContact O-CE2 3.29Å; F107-Y116 VanDerWaalsContact CD1-CA 3.43Å; F107-Y116 HydrophobicContact CD1-CD2 4.34Å; F107-Y116 HydrophobicContact CD2-CD2 4.2Å; F107-Y116 VanDerWaalsContact CE1-CB 3.5Å; F107-Y116 AromaticContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CD2 3.95Å; F107-Y116 HydrophobicContact CE1-CG 4.13Å; F107-Y116 AromaticContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CD2 3.77Å; F107-Y116 HydrophobicContact CE2-CE2 4.44Å; F107-Y116 HydrophobicContact CG-CD2 4.45Å; F107-Y116 AromaticContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CD2 3.63Å; F107-Y116 HydrophobicContact CZ-CG 4.15Å; Y116-E118 VanDerWaalsContact C-N 3.26Å; Y116-E118 WeakPolarHBondContact CD1-O 3.44Å; Y116-E118 HydrophobicContact CE1-CB 3.86Å; Y116-E118 WeakPolarHBondContact CE1-O 3.42Å; Y116-E118 PolarHBondContact O-N 3.46Å; Y116-P119 VanDerWaalsContact O-CD 3.31Å; Y116-P119 WeakPolarHBondContact O-CD 3.46Å |
| 117 | D | 92.3 | Very high | 85.3 | Confident | 51 Ų | 51 | 97.9 Ų | 97.9 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -67 | -27.7 | -171.9 | -58.7 | -28 | 0 | 0 | 0 | 113.4 | L106 F107 H108 P119 K122 | L106-D117 VanDerWaalsContact C-CG 3.44Å; L106-D117 WeakPolarHBondContact CA-OD2 3.35Å; L106-D117 VanDerWaalsContact O-CG 3.31Å; L106-D117 PolarHBondContact O-N 2.98Å; F107-D117 PolarHBondContact N-OD2 3.35Å; H108-D117 IonicContact CE1-OD1 2.7Å; H108-D117 IonicContact CG-OD1 3.61Å; H108-D117 PolarHBondContact N-OD1 3.44Å; H108-D117 IonicContact ND1-OD1 3.5Å; H108-D117 PolarHBondContact ND1-OD1 3.08Å; D117-P119 VanDerWaalsContact C-CD 3.43Å; D117-P119 WeakPolarHBondContact O-CD 3.38Å; D117-K122 PolarHBondContact O-NZ 2.87Å |
| 118 | E | 91.1 | Very high | 83.1 | Confident | 80 Ų | 80 | 101.6 Ų | 101.6 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -123.3 | 57.6 | -175.6 | -66.8 | -57.8 | 145.9 | 0 | 0 | 113.1 | Y116 K122 R123 | Y116-E118 VanDerWaalsContact C-N 3.26Å; Y116-E118 WeakPolarHBondContact CD1-O 3.44Å; Y116-E118 HydrophobicContact CE1-CB 3.86Å; Y116-E118 WeakPolarHBondContact CE1-O 3.42Å; Y116-E118 PolarHBondContact O-N 3.46Å; E118-K122 IonicContact OE1-NZ 3.01Å; E118-K122 PolarHBondContact OE1-NZ 3.15Å; E118-K122 IonicContact OE2-NZ 3.57Å; E118-R123 PolarHBondContact O-NE 3.35Å; E118-R123 PolarHBondContact O-NH2 2.67Å |
| 119 | P | 89.9 | Confident | 80.5 | Confident | 48 Ų | 48 | 109.7 Ų | 109.7 | 31% | 0.312 | 59% | 0.586 | S | S | . | * | trans | -61.8 | 154.1 | -176.5 | 29.8 | -32.3 | 0 | 0 | 0 | 110.6 | Y116 D117 L121 K122 R123 | Y116-P119 VanDerWaalsContact O-CD 3.31Å; Y116-P119 WeakPolarHBondContact O-CD 3.46Å; D117-P119 VanDerWaalsContact C-CD 3.43Å; D117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-L121 PolarHBondContact O-N 3.11Å; P119-L121 VanDerWaalsContact O-N 3.15Å; P119-K122 HydrophobicContact CG-CB 3.89Å; P119-K122 WeakPolarHBondContact O-CB 3.36Å; P119-K122 PolarHBondContact O-N 3.1Å; P119-R123 PolarHBondContact O-N 3Å; P119-R123 VanDerWaalsContact O-N 3.16Å | ||
| 120 | L | 84.3 | Confident | 79.9 | Confident | 105 Ų | 105 | 108.4 Ų | 108.4 | 55% | 0.55 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -55.7 | -37.9 | -176.5 | -177.9 | 63 | 0 | 0 | 0 | 112 | K122 R123 L124 | L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.35Å; L120-R123 PolarHBondContact O-N 3.45Å; L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CD2-CD1 4.47Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.82Å |
| 121 | L | 85.9 | Confident | 79.3 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 80% | 0.801 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.1 | -42.5 | 176 | -72.3 | 161.5 | 0 | 0 | 0 | 112.5 | P119 L124 G125 | P119-L121 PolarHBondContact O-N 3.11Å; P119-L121 VanDerWaalsContact O-N 3.15Å; L121-L124 PolarHBondContact O-N 2.85Å; L121-G125 PolarHBondContact O-N 3.48Å |
| 122 | K | 83.3 | Confident | 78.7 | Confident | 109 Ų | 109 | 110.4 Ų | 110.4 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -43.3 | 177.2 | -171.7 | -175.3 | -179.1 | -165.6 | 0 | 111.4 | D117 E118 P119 L120 L124 G125 A126 | D117-K122 PolarHBondContact O-NZ 2.87Å; E118-K122 IonicContact OE1-NZ 3.01Å; E118-K122 PolarHBondContact OE1-NZ 3.15Å; E118-K122 IonicContact OE2-NZ 3.57Å; P119-K122 HydrophobicContact CG-CB 3.89Å; P119-K122 WeakPolarHBondContact O-CB 3.36Å; P119-K122 PolarHBondContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.35Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.02Å; K122-G125 PolarHBondContact O-N 2.92Å; K122-A126 PolarHBondContact O-N 2.88Å |
| 123 | R | 76.6 | Confident | 78 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.6 | -36.9 | 177 | -73.7 | -176.8 | -87.9 | 158.4 | -7.4 | 113 | E118 P119 L120 | E118-R123 PolarHBondContact O-NE 3.35Å; E118-R123 PolarHBondContact O-NH2 2.67Å; P119-R123 PolarHBondContact O-N 3Å; P119-R123 VanDerWaalsContact O-N 3.16Å; L120-R123 PolarHBondContact O-N 3.45Å |
| 124 | L | 78.8 | Confident | 77.2 | Confident | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.6 | -31.8 | 176.3 | -67.7 | 175.6 | 0 | 0 | 0 | 112.6 | L120 L121 K122 | L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CD2-CD1 4.47Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.82Å; L121-L124 PolarHBondContact O-N 2.85Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 3.02Å |
| 125 | G | 66.4 | Low | 76.2 | Confident | 49 Ų | 49 | 104.3 Ų | 104.3 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L121 K122 A127 K128 | L121-G125 PolarHBondContact O-N 3.48Å; K122-G125 PolarHBondContact O-N 2.92Å; G125-A127 VanDerWaalsContact C-N 3.25Å; G125-A127 PolarHBondContact O-N 3.16Å; G125-K128 PolarHBondContact O-N 3.16Å |
| 126 | A | 59.2 | Low | 75 | Confident | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -17.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K122 K128 | K122-A126 PolarHBondContact O-N 2.88Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.4Å |
| 127 | A | 57.8 | Low | 73.5 | Confident | 85 Ų | 85 | 110.2 Ų | 110.2 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -2.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G125 | G125-A127 VanDerWaalsContact C-N 3.25Å; G125-A127 PolarHBondContact O-N 3.16Å |
| 128 | K | 50.4 | Low | 72 | Confident | 168 Ų | 168 | 115.1 Ų | 115.1 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | trans | -107 | 66.4 | 174.2 | -72.2 | -172.6 | 176.4 | -177.5 | 0 | 110.6 | G125 A126 | G125-K128 PolarHBondContact O-N 3.16Å; A126-K128 VanDerWaalsContact C-N 3.28Å; A126-K128 PolarHBondContact O-N 3.4Å | ||
| 129 | H | 39.9 | Very low | 70.2 | Confident | 260 Ų | 260 | 118.3 Ų | 118.3 | 100% | 1.204 | 64% | 0.64 | S | S | * | * | trans | -163.4 | 0 | 155.4 | -86.5 | -53.2 | 0 | 0 | 0 | 110.2 |
Retrieved 129 of 129 residues in 55.2 ms
(Link to these results)