| 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 | 56 | Low | 84.9 | Confident | 188 Ų | 188 | 83.5 Ų | 83.5 | 93% | 0.926 | 47% | 0.472 | S | S | * | . | 0 | 142.8 | 0 | -65.2 | -157 | -172.2 | 0 | 0 | 108 | |||||
| 2 | P | 73.1 | Confident | 85.5 | Confident | 115 Ų | 115 | 87.1 Ų | 87.1 | 75% | 0.747 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 148.8 | 171.5 | 23.1 | -31 | 0 | 0 | 0 | 110.2 | V4 | P2-V4 PolarHBondContact O-N 3.21Š|
| 3 | G | 79.7 | Confident | 86 | Confident | 75 Ų | 75 | 85.5 Ų | 85.5 | 77% | 0.773 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 125 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 4 | V | 88.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 26% | 0.255 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 126.7 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | P2 D8 V9 A136 A140 | P2-V4 PolarHBondContact O-N 3.21Å; V4-D8 HydrophobicContact CG1-CB 4.07Å; V4-V9 HydrophobicContact CG1-CG1 3.81Å; V4-A136 HydrophobicContact CG1-CB 4.39Å; V4-A140 HydrophobicContact CB-CB 4.46Å; V4-A140 HydrophobicContact CG1-CB 3.78Å; V4-A140 HydrophobicContact CG2-CB 4.12Å |
| 5 | T | 91.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -105.1 | 170.1 | 175.9 | 72 | 0 | 0 | 0 | 0 | 111.1 | K7 D8 | T5-K7 PolarHBondContact O-N 3.47Å; T5-K7 PolarHBondContact OG1-N 3.38Å; T5-D8 WeakPolarHBondContact CA-OD2 3.5Å; T5-D8 WeakPolarHBondContact CB-OD2 3.47Å; T5-D8 PolarHBondContact N-OD2 2.99Å; T5-D8 PolarHBondContact O-N 3.36Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å | ||
| 6 | V | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 113.1 | D8 V9 F14 R63 Y66 L132 A136 | V6-D8 VanDerWaalsContact C-N 3.33Å; V6-V9 WeakPolarHBondContact O-CG2 3.36Å; V6-F14 HydrophobicContact CB-CZ 4.43Å; V6-F14 HydrophobicContact CG1-CD1 4.11Å; V6-F14 HydrophobicContact CG1-CE1 3.76Å; V6-F14 HydrophobicContact CG1-CE2 4.35Å; V6-F14 HydrophobicContact CG1-CZ 3.89Å; V6-F14 HydrophobicContact CG2-CE1 4.42Å; V6-F14 HydrophobicContact CG2-CE2 4.05Å; V6-F14 HydrophobicContact CG2-CZ 3.74Å; V6-R63 HydrophobicContact CG1-CG 4.05Å; V6-Y66 HydrophobicContact CB-CD1 3.92Å; V6-Y66 HydrophobicContact CB-CE1 3.76Å; V6-Y66 HydrophobicContact CB-CE2 4.31Å; V6-Y66 HydrophobicContact CB-CG 4.31Å; V6-Y66 HydrophobicContact CG1-CD1 4.3Å; V6-Y66 HydrophobicContact CG2-CD1 4.25Å; V6-Y66 HydrophobicContact CG2-CD2 3.95Å; V6-Y66 HydrophobicContact CG2-CE1 4.11Å; V6-Y66 HydrophobicContact CG2-CE2 3.72Å; V6-Y66 HydrophobicContact CG2-CG 4.19Å; V6-L132 HydrophobicContact CG2-CB 3.87Å; V6-A136 HydrophobicContact CG2-CB 4.36Å |
| 7 | K | 91.1 | Very high | 87.9 | Confident | 150 Ų | 150 | 78.6 Ų | 78.6 | 65% | 0.652 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.9 | 178.7 | -67.4 | -176.8 | 179 | -179.7 | 0 | 113.3 | T5 L67 | T5-K7 PolarHBondContact O-N 3.47Å; T5-K7 PolarHBondContact OG1-N 3.38Å; K7-L67 HydrophobicContact CD-CD2 4.48Å; K7-L67 HydrophobicContact CG-CD2 3.89Å |
| 8 | D | 89.8 | Confident | 88.1 | Confident | 103 Ų | 103 | 74.3 Ų | 74.3 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -95.5 | 0.7 | -171.8 | -50.2 | -45.9 | 0 | 0 | 0 | 112.7 | V4 T5 V6 | V4-D8 HydrophobicContact CG1-CB 4.07Å; T5-D8 WeakPolarHBondContact CA-OD2 3.5Å; T5-D8 WeakPolarHBondContact CB-OD2 3.47Å; T5-D8 PolarHBondContact N-OD2 2.99Å; T5-D8 PolarHBondContact O-N 3.36Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å; V6-D8 VanDerWaalsContact C-N 3.33Å |
| 9 | V | 91 | Very high | 88.4 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -118.4 | 154.3 | -177 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | V4 V6 Q11 F14 A136 V139 A140 | V4-V9 HydrophobicContact CG1-CG1 3.81Å; V6-V9 WeakPolarHBondContact O-CG2 3.36Å; V9-Q11 PolarHBondContact O-N 3.39Å; V9-F14 HydrophobicContact CG2-CB 3.94Å; V9-F14 HydrophobicContact CG2-CD2 3.88Å; V9-F14 HydrophobicContact CG2-CG 4.12Å; V9-A136 HydrophobicContact CG1-CB 4.19Å; V9-A136 WeakPolarHBondContact CG1-O 3.5Å; V9-A136 HydrophobicContact CG2-CB 4.03Å; V9-V139 HydrophobicContact CB-CG1 4.33Å; V9-V139 HydrophobicContact CG1-CB 4.48Å; V9-V139 HydrophobicContact CG1-CG1 4.42Å; V9-A140 HydrophobicContact CG1-CB 4Å |
| 10 | N | 92.3 | Very high | 88.6 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | trans | -57.9 | 125.6 | 173.9 | -175.7 | -14.9 | 0 | 0 | 0 | 110.2 | Q12 E13 F14 | N10-Q12 VanDerWaalsContact C-N 3.31Å; N10-Q12 PolarHBondContact O-N 3Å; N10-Q12 PolarHBondContact OD1-N 2.97Å; N10-E13 HydrophobicContact CB-CB 4.25Å; N10-E13 HydrophobicContact CB-CG 4.3Å; N10-E13 WeakPolarHBondContact CB-OE2 3.4Å; N10-E13 PolarHBondContact ND2-OE1 3.35Å; N10-E13 PolarHBondContact O-N 2.98Å; N10-F14 WeakPolarHBondContact O-CB 3.42Å; N10-F14 PolarHBondContact O-N 2.91Å | ||
| 11 | Q | 91.2 | Very high | 88.7 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.5 | -42.7 | -178.1 | 170.9 | 167.9 | -27.8 | 0 | 0 | 112.9 | V9 V15 | V9-Q11 PolarHBondContact O-N 3.39Å; Q11-V15 VanDerWaalsContact O-CG2 3.32Å; Q11-V15 WeakPolarHBondContact O-CG2 3.45Å; Q11-V15 PolarHBondContact O-N 3.37Å; Q11-V15 VanDerWaalsContact O-N 3.16Å |
| 12 | Q | 92.3 | Very high | 90.4 | Very high | 127 Ų | 127 | 62.3 Ų | 62.3 | 59% | 0.593 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.3 | -45.1 | -173.3 | -63.4 | -172 | 7.4 | 0 | 0 | 111.2 | N10 V15 R16 | N10-Q12 VanDerWaalsContact C-N 3.31Å; N10-Q12 PolarHBondContact O-N 3Å; N10-Q12 PolarHBondContact OD1-N 2.97Å; Q12-V15 PolarHBondContact O-N 3.21Å; Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.29Å; Q12-R16 VanDerWaalsContact O-N 3.1Å |
| 13 | E | 92 | Very high | 91.2 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.6 | -70.1 | 160 | -153.4 | 0 | 0 | 111.3 | N10 V15 R16 A17 V139 N143 | N10-E13 HydrophobicContact CB-CB 4.25Å; N10-E13 HydrophobicContact CB-CG 4.3Å; N10-E13 WeakPolarHBondContact CB-OE2 3.4Å; N10-E13 PolarHBondContact ND2-OE1 3.35Å; N10-E13 PolarHBondContact O-N 2.98Å; E13-V15 PolarHBondContact O-N 3.3Å; E13-R16 PolarHBondContact O-N 3.15Å; E13-A17 WeakPolarHBondContact O-CB 3Å; E13-A17 PolarHBondContact O-N 3.15Å; E13-V139 HydrophobicContact CB-CG1 4.13Å; E13-N143 PolarHBondContact OE2-ND2 3.17Å; E13-N143 PolarHBondContact OE2-OD1 3.33Å |
| 14 | F | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.6 | 179.8 | -95.7 | 0 | 0 | 0 | 112.5 | V6 V9 N10 R16 A17 L18 R63 L132 I135 A136 | V6-F14 HydrophobicContact CB-CZ 4.43Å; V6-F14 HydrophobicContact CG1-CD1 4.11Å; V6-F14 HydrophobicContact CG1-CE1 3.76Å; V6-F14 HydrophobicContact CG1-CE2 4.35Å; V6-F14 HydrophobicContact CG1-CZ 3.89Å; V6-F14 HydrophobicContact CG2-CE1 4.42Å; V6-F14 HydrophobicContact CG2-CE2 4.05Å; V6-F14 HydrophobicContact CG2-CZ 3.74Å; V9-F14 HydrophobicContact CG2-CB 3.94Å; V9-F14 HydrophobicContact CG2-CD2 3.88Å; V9-F14 HydrophobicContact CG2-CG 4.12Å; N10-F14 WeakPolarHBondContact O-CB 3.42Å; N10-F14 PolarHBondContact O-N 2.91Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.21Å; F14-A17 PolarHBondContact O-N 3.38Å; F14-L18 HydrophobicContact CE1-CD2 3.88Å; F14-L18 HydrophobicContact CZ-CD2 4.25Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.27Å; F14-L18 PolarHBondContact O-N 3.44Å; F14-R63 HydrophobicContact CD1-CG 4.36Å; F14-R63 HydrophobicContact CE1-CB 4.23Å; F14-R63 HydrophobicContact CE1-CG 4.29Å; F14-L132 HydrophobicContact CE1-CD2 4.19Å; F14-L132 WeakPolarHBondContact CE2-O 3.15Å; F14-L132 HydrophobicContact CZ-CB 4.28Å; F14-L132 HydrophobicContact CZ-CD2 3.78Å; F14-I135 HydrophobicContact CD2-CG2 4.28Å; F14-I135 HydrophobicContact CE2-CB 4.19Å; F14-I135 HydrophobicContact CE2-CG2 3.93Å; F14-A136 HydrophobicContact CD2-CB 4.19Å; F14-A136 HydrophobicContact CE2-CB 3.94Å |
| 15 | V | 94.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | Q11 Q12 E13 A19 T56 A59 | Q11-V15 VanDerWaalsContact O-CG2 3.32Å; Q11-V15 WeakPolarHBondContact O-CG2 3.45Å; Q11-V15 PolarHBondContact O-N 3.37Å; Q11-V15 VanDerWaalsContact O-N 3.16Å; Q12-V15 PolarHBondContact O-N 3.21Å; E13-V15 PolarHBondContact O-N 3.3Å; V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.43Å; V15-A19 PolarHBondContact O-N 2.96Å; V15-T56 HydrophobicContact CG1-CG2 4.14Å; V15-A59 HydrophobicContact CG1-CB 4.08Å |
| 16 | R | 92.9 | Very high | 91 | Very high | 173 Ų | 173 | 74.7 Ų | 74.7 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 175.9 | -69.7 | 175.2 | -176.5 | 171.8 | 3 | 111.6 | Q12 E13 F14 A19 A20 | Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.29Å; Q12-R16 VanDerWaalsContact O-N 3.1Å; E13-R16 PolarHBondContact O-N 3.15Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.21Å; R16-A19 PolarHBondContact O-N 3.38Å; R16-A20 PolarHBondContact O-N 3.49Å |
| 17 | A | 93.5 | Very high | 90.7 | Very high | 35 Ų | 35 | 82.2 Ų | 82.2 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E13 F14 A20 F21 I135 V139 | E13-A17 WeakPolarHBondContact O-CB 3Å; E13-A17 PolarHBondContact O-N 3.15Å; F14-A17 PolarHBondContact O-N 3.38Å; A17-A20 PolarHBondContact O-N 3.32Å; A17-F21 PolarHBondContact O-N 3.39Å; A17-I135 HydrophobicContact CB-CG2 4.27Å; A17-V139 HydrophobicContact CB-CG2 3.51Å |
| 18 | L | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177 | 179.9 | 61.3 | 0 | 0 | 0 | 111.8 | F14 A20 F21 L22 A59 A62 L132 I135 | F14-L18 HydrophobicContact CE1-CD2 3.88Å; F14-L18 HydrophobicContact CZ-CD2 4.25Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.27Å; F14-L18 PolarHBondContact O-N 3.44Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-F21 HydrophobicContact CD1-CD1 4.49Å; L18-F21 PolarHBondContact O-N 2.71Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.32Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.43Å; L18-A59 HydrophobicContact CB-CB 3.91Å; L18-A59 HydrophobicContact CD2-CB 3.75Å; L18-A59 HydrophobicContact CG-CB 3.7Å; L18-A62 HydrophobicContact CD2-CB 4.31Å; L18-L132 HydrophobicContact CD1-CD2 3.98Å; L18-L132 HydrophobicContact CD2-CD2 3.46Å; L18-L132 VanDerWaalsContact CD2-CD2 3.46Å; L18-L132 HydrophobicContact CG-CD2 4.39Å; L18-I135 HydrophobicContact CD1-CD1 3.46Å; L18-I135 VanDerWaalsContact CD1-CD1 3.46Å |
| 19 | A | 93 | Very high | 90 | Very high | 8 Ų | 8 | 79 Ų | 79 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V15 R16 F21 L22 K23 A59 | V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.43Å; V15-A19 PolarHBondContact O-N 2.96Å; R16-A19 PolarHBondContact O-N 3.38Å; A19-F21 VanDerWaalsContact C-N 3.35Å; A19-F21 PolarHBondContact O-N 3.48Å; A19-L22 PolarHBondContact O-N 2.81Å; A19-K23 WeakPolarHBondContact O-CB 3.4Å; A19-K23 PolarHBondContact O-N 2.89Å; A19-A59 HydrophobicContact CB-CB 4.14Å |
| 20 | A | 92.6 | Very high | 89.7 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R16 A17 L18 K23 K24 | R16-A20 PolarHBondContact O-N 3.49Å; A17-A20 PolarHBondContact O-N 3.32Å; L18-A20 VanDerWaalsContact C-N 3.34Å; A20-K23 PolarHBondContact O-N 3.5Å; A20-K24 WeakPolarHBondContact O-CB 3.43Å; A20-K24 PolarHBondContact O-N 3.21Å |
| 21 | F | 91.3 | Very high | 89.2 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 39% | 0.386 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.8 | 176.2 | -99.4 | 0 | 0 | 0 | 112.2 | A17 L18 A19 K23 K24 S25 I135 | A17-F21 PolarHBondContact O-N 3.39Å; L18-F21 HydrophobicContact CD1-CD1 4.49Å; L18-F21 PolarHBondContact O-N 2.71Å; A19-F21 VanDerWaalsContact C-N 3.35Å; A19-F21 PolarHBondContact O-N 3.48Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 2.87Å; F21-K24 PolarHBondContact O-N 2.8Å; F21-S25 WeakPolarHBondContact O-CB 3.46Å; F21-S25 PolarHBondContact O-N 3.24Å; F21-I135 HydrophobicContact CB-CD1 4.06Å; F21-I135 HydrophobicContact CD1-CD1 3.69Å; F21-I135 HydrophobicContact CD2-CD1 4.37Å; F21-I135 HydrophobicContact CE1-CD1 4.21Å; F21-I135 HydrophobicContact CG-CD1 3.78Å |
| 22 | L | 90.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178 | -69.3 | 173.4 | 0 | 0 | 0 | 112 | L18 A19 S25 R26 L28 Y55 A58 A59 L111 M113 | L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.32Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.43Å; A19-L22 PolarHBondContact O-N 2.81Å; L22-S25 PolarHBondContact O-N 3.31Å; L22-R26 PolarHBondContact O-N 3.34Å; L22-L28 HydrophobicContact CB-CD1 4.23Å; L22-L28 HydrophobicContact CD1-CD1 4.08Å; L22-L28 HydrophobicContact CD2-CD1 4.11Å; L22-L28 HydrophobicContact CG-CD1 4.38Å; L22-Y55 HydrophobicContact CB-CD1 4.02Å; L22-A58 HydrophobicContact CD1-CB 4Å; L22-A59 HydrophobicContact CD1-CB 4.39Å; L22-L111 HydrophobicContact CD2-CD1 3.93Å; L22-M113 HydrophobicContact CD2-SD 4.08Å |
| 23 | K | 90.5 | Very high | 87.8 | Confident | 96 Ų | 96 | 79 Ų | 79 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.6 | -173 | 178.6 | -174.6 | 177.5 | 0 | 111.4 | A19 A20 F21 S25 R26 N52 Y55 | A19-K23 WeakPolarHBondContact O-CB 3.4Å; A19-K23 PolarHBondContact O-N 2.89Å; A20-K23 PolarHBondContact O-N 3.5Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 2.87Å; K23-S25 VanDerWaalsContact C-N 3.29Å; K23-S25 PolarHBondContact O-N 2.91Å; K23-R26 WeakPolarHBondContact O-CG 3.42Å; K23-R26 PolarHBondContact O-N 3.35Å; K23-N52 WeakPolarHBondContact CD-OD1 3.47Å; K23-N52 WeakPolarHBondContact CE-OD1 3.3Å; K23-N52 PolarHBondContact NZ-ND2 2.92Å; K23-N52 VanDerWaalsContact NZ-ND2 3.12Å; K23-N52 PolarHBondContact NZ-OD1 3.12Å; K23-Y55 HydrophobicContact CB-CD1 4.23Å; K23-Y55 HydrophobicContact CB-CD2 4.36Å; K23-Y55 HydrophobicContact CB-CE1 4.38Å; K23-Y55 HydrophobicContact CB-CG 4.21Å; K23-Y55 HydrophobicContact CG-CD2 4.44Å; K23-Y55 HydrophobicContact CG-CE2 4.27Å |
| 24 | K | 90.4 | Very high | 86.3 | Confident | 184 Ų | 184 | 75.9 Ų | 75.9 | 80% | 0.8 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -35.9 | 178.8 | -171.2 | 174.8 | -176.8 | 176.4 | 0 | 112.3 | A20 F21 R26 | A20-K24 WeakPolarHBondContact O-CB 3.43Å; A20-K24 PolarHBondContact O-N 3.21Å; F21-K24 PolarHBondContact O-N 2.8Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 2.93Å |
| 25 | S | 84 | Confident | 84.7 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -29.2 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | F21 L22 K23 K27 | F21-S25 WeakPolarHBondContact O-CB 3.46Å; F21-S25 PolarHBondContact O-N 3.24Å; L22-S25 PolarHBondContact O-N 3.31Å; K23-S25 VanDerWaalsContact C-N 3.29Å; K23-S25 PolarHBondContact O-N 2.91Å; S25-K27 WeakPolarHBondContact O-CG 3.41Å; S25-K27 PolarHBondContact O-N 3Å |
| 26 | R | 80.4 | Confident | 83.1 | Confident | 218 Ų | 218 | 86.6 Ų | 86.6 | 82% | 0.823 | 41% | 0.409 | S | S | * | . | trans | 52.2 | 3.6 | -176.6 | -63.5 | -171.7 | -179.7 | -175.2 | -0.2 | 116.3 | L22 K23 K24 L28 | L22-R26 PolarHBondContact O-N 3.34Å; K23-R26 WeakPolarHBondContact O-CG 3.42Å; K23-R26 PolarHBondContact O-N 3.35Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 2.93Å; R26-L28 VanDerWaalsContact C-N 3.32Å | ||
| 27 | K | 83.9 | Confident | 82.1 | Confident | 157 Ų | 157 | 84.1 Ų | 84.1 | 68% | 0.683 | 41% | 0.413 | S | S | * | . | trans | -81.3 | -12 | 178.7 | -69.3 | 173.1 | -173.6 | -177 | 0 | 113.3 | S25 K29 L111 | S25-K27 WeakPolarHBondContact O-CG 3.41Å; S25-K27 PolarHBondContact O-N 3Å; K27-K29 PolarHBondContact O-N 2.88Å; K27-L111 HydrophobicContact CB-CD2 3.44Å; K27-L111 VanDerWaalsContact CB-CD2 3.44Å | ||
| 28 | L | 83.9 | Confident | 81.4 | Confident | 8 Ų | 8 | 84.2 Ų | 84.2 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -77.5 | 113.6 | -177.6 | -165.4 | 142.5 | 0 | 0 | 0 | 109.4 | L22 R26 V30 F54 Y55 A58 A107 L111 | L22-L28 HydrophobicContact CB-CD1 4.23Å; L22-L28 HydrophobicContact CD1-CD1 4.08Å; L22-L28 HydrophobicContact CD2-CD1 4.11Å; L22-L28 HydrophobicContact CG-CD1 4.38Å; R26-L28 VanDerWaalsContact C-N 3.32Å; L28-V30 HydrophobicContact CD2-CG2 4.14Å; L28-V30 PolarHBondContact O-N 2.96Å; L28-F54 HydrophobicContact CD2-CD1 3.43Å; L28-F54 VanDerWaalsContact CD2-CD1 3.43Å; L28-F54 HydrophobicContact CD2-CE1 3.34Å; L28-Y55 HydrophobicContact CB-CE1 4.08Å; L28-Y55 HydrophobicContact CD1-CD1 4.47Å; L28-Y55 HydrophobicContact CD2-CD1 4.23Å; L28-Y55 HydrophobicContact CD2-CE1 4.09Å; L28-A58 HydrophobicContact CD1-CB 3.87Å; L28-A107 HydrophobicContact CD2-CB 4.34Å; L28-A107 HydrophobicContact CG-CB 4.25Å; L28-L111 HydrophobicContact CB-CD1 3.98Å; L28-L111 HydrophobicContact CD1-CD1 3.77Å; L28-L111 HydrophobicContact CG-CD1 4.04Å |
| 29 | K | 82.8 | Confident | 80.9 | Confident | 178 Ų | 178 | 89.6 Ų | 89.6 | 77% | 0.774 | 43% | 0.433 | S | S | * | . | trans | -68.5 | 100.5 | 177.8 | -67.3 | -174.1 | 177.2 | -175.7 | 0 | 109.9 | K27 | K27-K29 PolarHBondContact O-N 2.88Š| ||
| 30 | V | 84.3 | Confident | 80.5 | Confident | 41 Ų | 41 | 90.5 Ų | 90.5 | 25% | 0.248 | 44% | 0.437 | C | S | . | . | trans | -78 | 129.3 | 171.8 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | L28 L35 F54 Y55 | L28-V30 HydrophobicContact CD2-CG2 4.14Å; L28-V30 PolarHBondContact O-N 2.96Å; V30-L35 HydrophobicContact CG1-CD2 4.4Å; V30-L35 HydrophobicContact CG1-CG 4.33Å; V30-F54 HydrophobicContact CB-CD1 4.31Å; V30-F54 HydrophobicContact CG1-CB 4.4Å; V30-F54 HydrophobicContact CG1-CD1 4.08Å; V30-F54 HydrophobicContact CG1-CG 4.23Å; V30-F54 HydrophobicContact CG2-CD1 3.97Å; V30-F54 HydrophobicContact CG2-CE1 4.5Å; V30-Y55 HydrophobicContact CG2-CE1 4.36Å; V30-Y55 HydrophobicContact CG2-CE2 4.35Å | ||
| 31 | P | 82.3 | Confident | 80.3 | Confident | 19 Ų | 19 | 88.3 Ų | 88.3 | 12% | 0.123 | 42% | 0.417 | C | S | . | . | trans | -65 | 143.6 | 175 | 25.1 | -30.9 | 0 | 0 | 0 | 110.5 | W33 G34 F54 R103 | P31-W33 VanDerWaalsContact C-N 3.32Å; P31-W33 HydrophobicContact CB-CD2 4.21Å; P31-W33 HydrophobicContact CB-CZ2 4.05Å; P31-W33 HydrophobicContact CG-CD2 4.44Å; P31-W33 HydrophobicContact CG-CH2 4.18Å; P31-W33 HydrophobicContact CG-CZ2 4.06Å; P31-W33 HydrophobicContact CG-CZ3 4.41Å; P31-W33 PolarHBondContact O-N 3.37Å; P31-G34 WeakPolarHBondContact O-CA 3.49Å; P31-G34 PolarHBondContact O-N 3.45Å; P31-F54 HydrophobicContact CG-CD2 4.43Å; P31-F54 HydrophobicContact CG-CE2 3.84Å; P31-F54 HydrophobicContact CG-CZ 4.03Å; P31-R103 HydrophobicContact CB-CG 4.41Å; P31-R103 HydrophobicContact CG-CB 4.29Å; P31-R103 HydrophobicContact CG-CG 4.41Å | ||
| 32 | E | 78.6 | Confident | 80.2 | Confident | 186 Ų | 186 | 90.9 Ų | 90.9 | 87% | 0.869 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -55.2 | -42.3 | -175.1 | -169.9 | 177.6 | 179.3 | 0 | 0 | 113.4 | G34 | E32-G34 PolarHBondContact O-N 2.96Š|
| 33 | W | 74.8 | Confident | 80.2 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -73.2 | -8.4 | 175.6 | 53.3 | -101.1 | 0 | 0 | 0 | 114.6 | P31 L35 V38 V100 R103 | P31-W33 VanDerWaalsContact C-N 3.32Å; P31-W33 HydrophobicContact CB-CD2 4.21Å; P31-W33 HydrophobicContact CB-CZ2 4.05Å; P31-W33 HydrophobicContact CG-CD2 4.44Å; P31-W33 HydrophobicContact CG-CH2 4.18Å; P31-W33 HydrophobicContact CG-CZ2 4.06Å; P31-W33 HydrophobicContact CG-CZ3 4.41Å; P31-W33 PolarHBondContact O-N 3.37Å; W33-L35 VanDerWaalsContact C-N 3.33Å; W33-L35 PolarHBondContact O-N 3.21Å; W33-V38 HydrophobicContact CB-CG1 4.48Å; W33-V38 HydrophobicContact CD2-CG1 4.38Å; W33-V38 HydrophobicContact CE3-CB 4.2Å; W33-V38 HydrophobicContact CE3-CG1 3.64Å; W33-V38 HydrophobicContact CE3-CG2 3.58Å; W33-V38 HydrophobicContact CZ3-CB 4.5Å; W33-V38 HydrophobicContact CZ3-CG1 4.3Å; W33-V38 HydrophobicContact CZ3-CG2 3.74Å; W33-V100 HydrophobicContact CH2-CG2 3.84Å; W33-V100 HydrophobicContact CZ3-CG2 3.93Å; W33-R103 HydrophobicContact CH2-CG 4.34Å; W33-R103 HydrophobicContact CZ2-CG 3.71Å |
| 34 | G | 61.2 | Low | 80.2 | Confident | 1 Ų | 1 | 92.4 Ų | 92.4 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -77.3 | -14.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P31 E32 W53 | P31-G34 WeakPolarHBondContact O-CA 3.49Å; P31-G34 PolarHBondContact O-N 3.45Å; E32-G34 PolarHBondContact O-N 2.96Å; G34-W53 VanDerWaalsContact O-CE2 3.25Å; G34-W53 WeakPolarHBondContact O-CZ2 3.42Å; G34-W53 PolarHBondContact O-NE1 3.25Å |
| 35 | L | 60.1 | Low | 80.1 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -49.6 | -173.6 | -71 | 163 | 0 | 0 | 0 | 111.9 | V30 W33 | V30-L35 HydrophobicContact CG1-CD2 4.4Å; V30-L35 HydrophobicContact CG1-CG 4.33Å; W33-L35 VanDerWaalsContact C-N 3.33Å; W33-L35 PolarHBondContact O-N 3.21Å |
| 36 | D | 62.5 | Low | 80.3 | Confident | 144 Ų | 144 | 95.9 Ų | 95.9 | 77% | 0.77 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | -10.3 | -171.5 | -72.8 | -42.1 | 0 | 0 | 0 | 117 | ||
| 37 | T | 70.5 | Confident | 80.6 | Confident | 120 Ų | 120 | 88 Ų | 88 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -18 | -165.5 | -37.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 38 | V | 78.6 | Confident | 80.9 | Confident | 38 Ų | 38 | 82.5 Ų | 82.5 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | trans | -118.8 | 138.4 | -161.8 | -61.6 | 0 | 0 | 0 | 0 | 115.1 | W33 W53 | W33-V38 HydrophobicContact CB-CG1 4.48Å; W33-V38 HydrophobicContact CD2-CG1 4.38Å; W33-V38 HydrophobicContact CE3-CB 4.2Å; W33-V38 HydrophobicContact CE3-CG1 3.64Å; W33-V38 HydrophobicContact CE3-CG2 3.58Å; W33-V38 HydrophobicContact CZ3-CB 4.5Å; W33-V38 HydrophobicContact CZ3-CG1 4.3Å; W33-V38 HydrophobicContact CZ3-CG2 3.74Å; V38-W53 HydrophobicContact CG2-CZ2 4.1Å | ||
| 39 | K | 83.7 | Confident | 81.1 | Confident | 112 Ų | 112 | 90.7 Ų | 90.7 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | trans | -77.3 | 143.3 | 155.4 | 57.6 | -179.2 | 170.5 | -171.6 | 0 | 110.6 | V41 K44 | K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 2.99Å; K39-K44 VanDerWaalsContact CD-O 3.27Å; K39-K44 WeakPolarHBondContact CD-O 3.4Å | ||
| 40 | L | 84.4 | Confident | 81.2 | Confident | 28 Ų | 28 | 85.7 Ų | 85.7 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -66.6 | -27.9 | -177.3 | -62.5 | -176.5 | 0 | 0 | 0 | 114 | P48 W53 R57 S97 | L40-P48 HydrophobicContact CD1-CG 3.49Å; L40-P48 VanDerWaalsContact CD1-CG 3.49Å; L40-P48 HydrophobicContact CD2-CG 3.81Å; L40-P48 HydrophobicContact CG-CG 3.44Å; L40-P48 VanDerWaalsContact CG-CG 3.44Å; L40-W53 HydrophobicContact CD1-CE3 4.43Å; L40-W53 HydrophobicContact CD2-CD2 3.67Å; L40-W53 HydrophobicContact CD2-CE3 3.27Å; L40-W53 HydrophobicContact CD2-CH2 3.38Å; L40-W53 HydrophobicContact CD2-CZ2 3.78Å; L40-W53 HydrophobicContact CD2-CZ3 3.13Å; L40-W53 HydrophobicContact CG-CE3 4.46Å; L40-R57 VanDerWaalsContact CD1-NH2 3.35Å; L40-S97 WeakPolarHBondContact O-CB 3.32Å |
| 41 | V | 88.8 | Confident | 81.2 | Confident | 13 Ų | 13 | 90.7 Ų | 90.7 | 8% | 0.079 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -156.5 | 153.8 | -168.1 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | K39 H43 K44 G96 | K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 2.99Å; V41-H43 WeakPolarHBondContact CG2-CE1 3.31Å; V41-H43 WeakPolarHBondContact CG2-ND1 3.5Å; V41-H43 PolarHBondContact O-N 3.44Å; V41-K44 HydrophobicContact CG2-CB 3.74Å; V41-K44 HydrophobicContact CG2-CG 3.35Å; V41-K44 PolarHBondContact O-N 3.15Å; V41-G96 VanDerWaalsContact CG1-CA 3.48Å |
| 42 | K | 88.7 | Confident | 81.5 | Confident | 142 Ų | 142 | 91.7 Ų | 91.7 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.7 | -179.7 | 67.3 | 171.9 | -174.3 | 170.8 | 0 | 114.3 | K44 S94 | K42-K44 VanDerWaalsContact C-N 3.32Å; K42-S94 WeakPolarHBondContact CE-OG 3.39Å; K42-S94 VanDerWaalsContact CG-OG 3.22Å; K42-S94 WeakPolarHBondContact CG-OG 3.31Å |
| 43 | H | 90.3 | Very high | 82 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 10% | 0.102 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 2.4 | -175 | 70.9 | -98.3 | 0 | 0 | 0 | 114.2 | V41 G82 Q84 | V41-H43 WeakPolarHBondContact CG2-CE1 3.31Å; V41-H43 WeakPolarHBondContact CG2-ND1 3.5Å; V41-H43 PolarHBondContact O-N 3.44Å; H43-G82 PolarHBondContact CE1-N 3.32Å; H43-Q84 HydrophobicContact CB-CB 3.51Å; H43-Q84 HydrophobicContact CB-CG 3.73Å |
| 44 | K | 90.8 | Very high | 82.8 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | trans | -112 | 139.8 | 170.3 | -63.4 | -60.5 | 177 | -155.8 | 0 | 107.7 | K39 V41 K42 | K39-K44 VanDerWaalsContact CD-O 3.27Å; K39-K44 WeakPolarHBondContact CD-O 3.4Å; V41-K44 HydrophobicContact CG2-CB 3.74Å; V41-K44 HydrophobicContact CG2-CG 3.35Å; V41-K44 PolarHBondContact O-N 3.15Å; K42-K44 VanDerWaalsContact C-N 3.32Å | ||
| 45 | E | 87.4 | Confident | 84.3 | Confident | 170 Ų | 170 | 81.8 Ų | 81.8 | 79% | 0.794 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -88.1 | -41 | -177.9 | -67.5 | 170.8 | -172.4 | 0 | 0 | 110.5 | ||
| 46 | L | 88.6 | Confident | 85.8 | Confident | 128 Ų | 128 | 79.5 Ų | 79.5 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -95.1 | 154.6 | -178.1 | -57.5 | 176.5 | 0 | 0 | 0 | 112.7 | ||
| 47 | A | 87.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 45% | 0.446 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 161.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 48 | P | 89.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 138 | 171.3 | -23.1 | 36.3 | 0 | 0 | 0 | 111.5 | L40 D50 W53 | L40-P48 HydrophobicContact CD1-CG 3.49Å; L40-P48 VanDerWaalsContact CD1-CG 3.49Å; L40-P48 HydrophobicContact CD2-CG 3.81Å; L40-P48 HydrophobicContact CG-CG 3.44Å; L40-P48 VanDerWaalsContact CG-CG 3.44Å; P48-D50 VanDerWaalsContact C-N 3.34Å; P48-W53 HydrophobicContact CB-CB 3.64Å; P48-W53 HydrophobicContact CB-CG 3.81Å; P48-W53 HydrophobicContact CG-CB 3.98Å; P48-W53 HydrophobicContact CG-CD2 4.12Å; P48-W53 HydrophobicContact CG-CG 3.72Å |
| 49 | H | 87.6 | Confident | 89.1 | Confident | 179 Ų | 179 | 67.8 Ų | 67.8 | 83% | 0.829 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -71 | -28.7 | 175.9 | -63.9 | -61.3 | 0 | 0 | 0 | 113.5 | ||
| 50 | D | 85.9 | Confident | 89.7 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | trans | -85.8 | 117.3 | 176.2 | 176.4 | 19 | 0 | 0 | 0 | 109.8 | P48 N52 W53 | P48-D50 VanDerWaalsContact C-N 3.34Å; D50-N52 PolarHBondContact O-N 2.93Å; D50-N52 VanDerWaalsContact O-N 3.13Å; D50-N52 WeakPolarHBondContact OD1-CA 3.33Å; D50-N52 VanDerWaalsContact OD1-CB 3.3Å; D50-N52 WeakPolarHBondContact OD1-CB 3.32Å; D50-N52 PolarHBondContact OD1-N 3.47Å; D50-N52 PolarHBondContact OD1-ND2 3.49Å; D50-W53 VanDerWaalsContact O-CB 3.24Å; D50-W53 WeakPolarHBondContact O-CB 3.41Å; D50-W53 PolarHBondContact O-N 3.33Å | ||
| 51 | E | 84.4 | Confident | 90.1 | Very high | 146 Ų | 146 | 63.1 Ų | 63.1 | 68% | 0.682 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28 | 173 | -63.6 | 171.9 | -170 | 0 | 0 | 111.9 | W53 | E51-W53 PolarHBondContact O-N 2.92Š|
| 52 | N | 87.3 | Confident | 90.3 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 16.1 | -179.9 | -53.6 | -76.1 | 0 | 0 | 0 | 113.2 | K23 D50 F54 Y55 T56 | K23-N52 WeakPolarHBondContact CD-OD1 3.47Å; K23-N52 WeakPolarHBondContact CE-OD1 3.3Å; K23-N52 PolarHBondContact NZ-ND2 2.92Å; K23-N52 VanDerWaalsContact NZ-ND2 3.12Å; K23-N52 PolarHBondContact NZ-OD1 3.12Å; D50-N52 PolarHBondContact O-N 2.93Å; D50-N52 VanDerWaalsContact O-N 3.13Å; D50-N52 WeakPolarHBondContact OD1-CA 3.33Å; D50-N52 VanDerWaalsContact OD1-CB 3.3Å; D50-N52 WeakPolarHBondContact OD1-CB 3.32Å; D50-N52 PolarHBondContact OD1-N 3.47Å; D50-N52 PolarHBondContact OD1-ND2 3.49Å; N52-F54 PolarHBondContact O-N 3.05Å; N52-Y55 HydrophobicContact CB-CD2 4.01Å; N52-Y55 PolarHBondContact O-N 2.95Å; N52-T56 PolarHBondContact O-N 3.29Å |
| 53 | W | 90.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.2 | -31.3 | -177.4 | 70 | -94.5 | 0 | 0 | 0 | 113 | G34 V38 L40 P48 D50 E51 T56 R57 V100 | G34-W53 VanDerWaalsContact O-CE2 3.25Å; G34-W53 WeakPolarHBondContact O-CZ2 3.42Å; G34-W53 PolarHBondContact O-NE1 3.25Å; V38-W53 HydrophobicContact CG2-CZ2 4.1Å; L40-W53 HydrophobicContact CD1-CE3 4.43Å; L40-W53 HydrophobicContact CD2-CD2 3.67Å; L40-W53 HydrophobicContact CD2-CE3 3.27Å; L40-W53 HydrophobicContact CD2-CH2 3.38Å; L40-W53 HydrophobicContact CD2-CZ2 3.78Å; L40-W53 HydrophobicContact CD2-CZ3 3.13Å; L40-W53 HydrophobicContact CG-CE3 4.46Å; P48-W53 HydrophobicContact CB-CB 3.64Å; P48-W53 HydrophobicContact CB-CG 3.81Å; P48-W53 HydrophobicContact CG-CB 3.98Å; P48-W53 HydrophobicContact CG-CD2 4.12Å; P48-W53 HydrophobicContact CG-CG 3.72Å; D50-W53 VanDerWaalsContact O-CB 3.24Å; D50-W53 WeakPolarHBondContact O-CB 3.41Å; D50-W53 PolarHBondContact O-N 3.33Å; E51-W53 PolarHBondContact O-N 2.92Å; W53-T56 PolarHBondContact O-N 3.33Å; W53-R57 HydrophobicContact CE3-CB 4.24Å; W53-R57 HydrophobicContact CZ3-CB 4.41Å; W53-R57 VanDerWaalsContact O-CB 3.29Å; W53-R57 WeakPolarHBondContact O-CB 3.47Å; W53-R57 PolarHBondContact O-N 3.1Å; W53-V100 HydrophobicContact CH2-CG1 3.92Å; W53-V100 HydrophobicContact CH2-CG2 4.26Å; W53-V100 HydrophobicContact CZ3-CG1 3.7Å |
| 54 | F | 91.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | -179.3 | -165.8 | -103.3 | 0 | 0 | 0 | 111.8 | L28 V30 P31 N52 R57 A58 R103 V104 A107 | L28-F54 HydrophobicContact CD2-CD1 3.43Å; L28-F54 VanDerWaalsContact CD2-CD1 3.43Å; L28-F54 HydrophobicContact CD2-CE1 3.34Å; V30-F54 HydrophobicContact CB-CD1 4.31Å; V30-F54 HydrophobicContact CG1-CB 4.4Å; V30-F54 HydrophobicContact CG1-CD1 4.08Å; V30-F54 HydrophobicContact CG1-CG 4.23Å; V30-F54 HydrophobicContact CG2-CD1 3.97Å; V30-F54 HydrophobicContact CG2-CE1 4.5Å; P31-F54 HydrophobicContact CG-CD2 4.43Å; P31-F54 HydrophobicContact CG-CE2 3.84Å; P31-F54 HydrophobicContact CG-CZ 4.03Å; N52-F54 PolarHBondContact O-N 3.05Å; F54-R57 PolarHBondContact O-N 3.01Å; F54-A58 WeakPolarHBondContact O-CB 3.24Å; F54-A58 PolarHBondContact O-N 2.98Å; F54-R103 HydrophobicContact CE2-CB 4.49Å; F54-R103 HydrophobicContact CZ-CB 4.4Å; F54-V104 HydrophobicContact CD2-CG2 4.1Å; F54-V104 HydrophobicContact CE2-CG2 3.47Å; F54-V104 VanDerWaalsContact CE2-CG2 3.47Å; F54-V104 HydrophobicContact CZ-CG2 3.79Å; F54-A107 HydrophobicContact CE1-CB 4.33Å; F54-A107 HydrophobicContact CZ-CB 4.5Å |
| 55 | Y | 92.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 175.1 | -61 | -77.1 | 0 | 0 | 0 | 111.1 | L22 K23 L28 V30 N52 R57 A58 A59 | L22-Y55 HydrophobicContact CB-CD1 4.02Å; K23-Y55 HydrophobicContact CB-CD1 4.23Å; K23-Y55 HydrophobicContact CB-CD2 4.36Å; K23-Y55 HydrophobicContact CB-CE1 4.38Å; K23-Y55 HydrophobicContact CB-CG 4.21Å; K23-Y55 HydrophobicContact CG-CD2 4.44Å; K23-Y55 HydrophobicContact CG-CE2 4.27Å; L28-Y55 HydrophobicContact CB-CE1 4.08Å; L28-Y55 HydrophobicContact CD1-CD1 4.47Å; L28-Y55 HydrophobicContact CD2-CD1 4.23Å; L28-Y55 HydrophobicContact CD2-CE1 4.09Å; V30-Y55 HydrophobicContact CG2-CE1 4.36Å; V30-Y55 HydrophobicContact CG2-CE2 4.35Å; N52-Y55 HydrophobicContact CB-CD2 4.01Å; N52-Y55 PolarHBondContact O-N 2.95Å; Y55-R57 VanDerWaalsContact C-N 3.29Å; Y55-R57 PolarHBondContact O-N 3.13Å; Y55-A58 PolarHBondContact O-N 3.19Å; Y55-A59 WeakPolarHBondContact O-CB 3.28Å; Y55-A59 PolarHBondContact O-N 3.3Å |
| 56 | T | 93.3 | Very high | 91.1 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V15 N52 W53 A59 S60 | V15-T56 HydrophobicContact CG1-CG2 4.14Å; N52-T56 PolarHBondContact O-N 3.29Å; W53-T56 PolarHBondContact O-N 3.33Å; T56-A59 PolarHBondContact O-N 3.11Å; T56-S60 WeakPolarHBondContact O-CB 3.41Å; T56-S60 PolarHBondContact O-N 3.06Å |
| 57 | R | 92.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.5 | -173.7 | 61.4 | 56.9 | 162 | -2.5 | 112.1 | L40 W53 F54 Y55 T61 Y80 V100 V104 | L40-R57 VanDerWaalsContact CD1-NH2 3.35Å; W53-R57 HydrophobicContact CE3-CB 4.24Å; W53-R57 HydrophobicContact CZ3-CB 4.41Å; W53-R57 VanDerWaalsContact O-CB 3.29Å; W53-R57 WeakPolarHBondContact O-CB 3.47Å; W53-R57 PolarHBondContact O-N 3.1Å; F54-R57 PolarHBondContact O-N 3.01Å; Y55-R57 VanDerWaalsContact C-N 3.29Å; Y55-R57 PolarHBondContact O-N 3.13Å; R57-T61 WeakPolarHBondContact O-CB 3.44Å; R57-T61 PolarHBondContact O-N 3.16Å; R57-T61 PolarHBondContact O-OG1 3Å; R57-Y80 VanDerWaalsContact NH1-CB 3.3Å; R57-Y80 VanDerWaalsContact NH1-CE1 3.35Å; R57-V100 HydrophobicContact CG-CG1 4.45Å; R57-V104 HydrophobicContact CB-CG2 4.43Å; R57-V104 HydrophobicContact CG-CG2 3.81Å |
| 58 | A | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L22 L28 F54 Y55 T61 A62 V104 L108 | L22-A58 HydrophobicContact CD1-CB 4Å; L28-A58 HydrophobicContact CD1-CB 3.87Å; F54-A58 WeakPolarHBondContact O-CB 3.24Å; F54-A58 PolarHBondContact O-N 2.98Å; Y55-A58 PolarHBondContact O-N 3.19Å; A58-T61 PolarHBondContact O-N 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.46Å; A58-V104 HydrophobicContact CB-CG1 4.09Å; A58-L108 HydrophobicContact CB-CD2 4.3Å |
| 59 | A | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V15 L18 A19 L22 Y55 T56 T61 A62 R63 | V15-A59 HydrophobicContact CG1-CB 4.08Å; L18-A59 HydrophobicContact CB-CB 3.91Å; L18-A59 HydrophobicContact CD2-CB 3.75Å; L18-A59 HydrophobicContact CG-CB 3.7Å; A19-A59 HydrophobicContact CB-CB 4.14Å; L22-A59 HydrophobicContact CD1-CB 4.39Å; Y55-A59 WeakPolarHBondContact O-CB 3.28Å; Y55-A59 PolarHBondContact O-N 3.3Å; T56-A59 PolarHBondContact O-N 3.11Å; A59-T61 VanDerWaalsContact C-N 3.29Å; A59-T61 PolarHBondContact O-N 2.68Å; A59-A62 PolarHBondContact O-N 3.49Å; A59-R63 PolarHBondContact O-N 3.33Å |
| 60 | S | 94.8 | Very high | 91.1 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | T56 H64 Y80 | T56-S60 WeakPolarHBondContact O-CB 3.41Å; T56-S60 PolarHBondContact O-N 3.06Å; S60-H64 WeakPolarHBondContact O-CB 3.27Å; S60-H64 PolarHBondContact O-N 3Å; S60-Y80 WeakPolarHBondContact CB-OH 3.41Å; S60-Y80 PolarHBondContact OG-OH 3.32Å |
| 61 | T | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.9 | -42.4 | -179.2 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | R57 A58 A59 H64 L65 M76 Y80 V104 L105 L108 | R57-T61 WeakPolarHBondContact O-CB 3.44Å; R57-T61 PolarHBondContact O-N 3.16Å; R57-T61 PolarHBondContact O-OG1 3Å; A58-T61 PolarHBondContact O-N 3.22Å; A59-T61 VanDerWaalsContact C-N 3.29Å; A59-T61 PolarHBondContact O-N 2.68Å; T61-H64 PolarHBondContact O-N 3.29Å; T61-L65 HydrophobicContact CG2-CD1 4.45Å; T61-L65 WeakPolarHBondContact O-CG 3.15Å; T61-L65 PolarHBondContact O-N 3.01Å; T61-M76 HydrophobicContact CG2-CE 3.8Å; T61-M76 HydrophobicContact CG2-CG 4.48Å; T61-M76 HydrophobicContact CG2-SD 3.88Å; T61-Y80 WeakPolarHBondContact CA-OH 3.41Å; T61-Y80 PolarHBondContact N-OH 2.78Å; T61-Y80 VanDerWaalsContact N-OH 3.13Å; T61-Y80 PolarHBondContact OG1-OH 3.13Å; T61-V104 HydrophobicContact CG2-CG1 4.15Å; T61-L105 HydrophobicContact CG2-CD2 3.59Å; T61-L105 HydrophobicContact CG2-CG 4.35Å; T61-L108 HydrophobicContact CG2-CD1 4.23Å |
| 62 | A | 93.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L18 A58 A59 H64 L65 Y66 L108 L132 | L18-A62 HydrophobicContact CD2-CB 4.31Å; A58-A62 WeakPolarHBondContact O-CB 3.48Å; A58-A62 PolarHBondContact O-N 3.46Å; A59-A62 PolarHBondContact O-N 3.49Å; A62-H64 VanDerWaalsContact C-N 3.34Å; A62-H64 PolarHBondContact O-N 2.99Å; A62-L65 PolarHBondContact O-N 3.35Å; A62-Y66 PolarHBondContact O-N 2.86Å; A62-L108 HydrophobicContact CB-CD1 4.21Å; A62-L108 HydrophobicContact CB-CD2 4.4Å; A62-L132 HydrophobicContact CB-CD2 4.41Å |
| 63 | R | 94.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.6 | -175.3 | -179 | 178.2 | -86.5 | 3.3 | 111.9 | V6 F14 A59 L65 Y66 L67 | V6-R63 HydrophobicContact CG1-CG 4.05Å; F14-R63 HydrophobicContact CD1-CG 4.36Å; F14-R63 HydrophobicContact CE1-CB 4.23Å; F14-R63 HydrophobicContact CE1-CG 4.29Å; A59-R63 PolarHBondContact O-N 3.33Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.38Å; R63-Y66 WeakPolarHBondContact O-CA 3.42Å; R63-Y66 VanDerWaalsContact O-CB 3.29Å; R63-Y66 WeakPolarHBondContact O-CB 3.31Å; R63-Y66 PolarHBondContact O-N 3.05Å; R63-Y66 VanDerWaalsContact O-N 3.11Å; R63-L67 PolarHBondContact O-N 3.01Å; R63-L67 VanDerWaalsContact O-N 3.1Å |
| 64 | H | 93.7 | Very high | 92 | Very high | 45 Ų | 45 | 33 Ų | 33 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.1 | -170.3 | -68.5 | 0 | 0 | 0 | 111.7 | S60 T61 A62 Y66 L67 R68 M76 I79 | S60-H64 WeakPolarHBondContact O-CB 3.27Å; S60-H64 PolarHBondContact O-N 3Å; T61-H64 PolarHBondContact O-N 3.29Å; A62-H64 VanDerWaalsContact C-N 3.34Å; A62-H64 PolarHBondContact O-N 2.99Å; H64-Y66 VanDerWaalsContact C-N 3.26Å; H64-Y66 PolarHBondContact O-N 3.22Å; H64-L67 PolarHBondContact O-N 3.41Å; H64-R68 CarbonylContact O-C 3.57Å; H64-R68 PolarHBondContact O-N 3.37Å; H64-M76 HydrophobicContact CB-CE 4.37Å; H64-I79 WeakPolarHBondContact CE1-CD1 3.39Å; H64-I79 WeakPolarHBondContact NE2-CD1 3.41Å |
| 65 | L | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -26.1 | 174.9 | -71.3 | 169.8 | 0 | 0 | 0 | 113 | T61 A62 R63 A71 M76 L105 V114 R122 R124 | T61-L65 HydrophobicContact CG2-CD1 4.45Å; T61-L65 WeakPolarHBondContact O-CG 3.15Å; T61-L65 PolarHBondContact O-N 3.01Å; A62-L65 PolarHBondContact O-N 3.35Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 3.38Å; L65-A71 HydrophobicContact CD2-CB 3.87Å; L65-M76 HydrophobicContact CD2-CE 3.96Å; L65-M76 HydrophobicContact CG-CE 3.91Å; L65-L105 HydrophobicContact CD1-CD2 3.88Å; L65-V114 HydrophobicContact CD1-CB 4.44Å; L65-V114 HydrophobicContact CD1-CG1 3.82Å; L65-V114 HydrophobicContact CD1-CG2 3.64Å; L65-R122 HydrophobicContact CD2-CB 4.19Å; L65-R122 WeakPolarHBondContact CD2-O 3.33Å; L65-R124 PolarHBondContact O-NH1 2.84Å |
| 66 | Y | 92.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 169.9 | -170.5 | -77.7 | 0 | 0 | 0 | 112.4 | V6 A62 R63 H64 R124 Q129 L132 D133 | V6-Y66 HydrophobicContact CB-CD1 3.92Å; V6-Y66 HydrophobicContact CB-CE1 3.76Å; V6-Y66 HydrophobicContact CB-CE2 4.31Å; V6-Y66 HydrophobicContact CB-CG 4.31Å; V6-Y66 HydrophobicContact CG1-CD1 4.3Å; V6-Y66 HydrophobicContact CG2-CD1 4.25Å; V6-Y66 HydrophobicContact CG2-CD2 3.95Å; V6-Y66 HydrophobicContact CG2-CE1 4.11Å; V6-Y66 HydrophobicContact CG2-CE2 3.72Å; V6-Y66 HydrophobicContact CG2-CG 4.19Å; A62-Y66 PolarHBondContact O-N 2.86Å; R63-Y66 WeakPolarHBondContact O-CA 3.42Å; R63-Y66 VanDerWaalsContact O-CB 3.29Å; R63-Y66 WeakPolarHBondContact O-CB 3.31Å; R63-Y66 PolarHBondContact O-N 3.05Å; R63-Y66 VanDerWaalsContact O-N 3.11Å; H64-Y66 VanDerWaalsContact C-N 3.26Å; H64-Y66 PolarHBondContact O-N 3.22Å; Y66-R124 VanDerWaalsContact C-NH1 3.28Å; Y66-R124 VanDerWaalsContact O-CZ 3.25Å; Y66-R124 PolarHBondContact O-NH1 2.68Å; Y66-Q129 HydrophobicContact CE2-CG 3.95Å; Y66-L132 HydrophobicContact CD2-CB 4.22Å; Y66-L132 HydrophobicContact CD2-CD1 3.75Å; Y66-L132 HydrophobicContact CE2-CB 4.45Å; Y66-L132 HydrophobicContact CG-CD1 4.39Å; Y66-D133 VanDerWaalsContact CE2-OD1 3.31Å; Y66-D133 WeakPolarHBondContact CE2-OD1 3.39Å; Y66-D133 VanDerWaalsContact CZ-OD1 3.28Å; Y66-D133 PolarHBondContact OH-OD1 3.4Å |
| 67 | L | 91.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 30.4 Ų | 30.4 | 41% | 0.414 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -80.9 | -44.4 | -179.8 | -64.4 | 177.2 | 0 | 0 | 0 | 112.4 | K7 R63 H64 | K7-L67 HydrophobicContact CD-CD2 4.48Å; K7-L67 HydrophobicContact CG-CD2 3.89Å; R63-L67 PolarHBondContact O-N 3.01Å; R63-L67 VanDerWaalsContact O-N 3.1Å; H64-L67 PolarHBondContact O-N 3.41Å |
| 68 | R | 88.6 | Confident | 92.3 | Very high | 158 Ų | 158 | 34.7 Ų | 34.7 | 60% | 0.596 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -133.6 | 94.4 | -176.9 | -167.9 | 174.6 | -172 | -95.9 | -0.6 | 109.7 | H64 | H64-R68 CarbonylContact O-C 3.57Å; H64-R68 PolarHBondContact O-N 3.37Å |
| 69 | G | 85.8 | Confident | 92.3 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | trans | -65.7 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A71 | G69-A71 VanDerWaalsContact C-N 3.26Å; G69-A71 PolarHBondContact O-N 2.87Å | ||
| 70 | G | 87.3 | Confident | 92.3 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 71.5 | 17.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R122 | G70-R122 WeakPolarHBondContact CA-O 3.43Å; G70-R122 PolarHBondContact N-O 2.93Å |
| 71 | A | 89.1 | Confident | 92.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | trans | -89.1 | 120.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L65 G69 M76 R122 | L65-A71 HydrophobicContact CD2-CB 3.87Å; G69-A71 VanDerWaalsContact C-N 3.26Å; G69-A71 PolarHBondContact O-N 2.87Å; A71-M76 HydrophobicContact CB-CE 3.71Å; A71-R122 PolarHBondContact N-O 3.23Å; A71-R122 PolarHBondContact O-N 2.9Å | ||
| 72 | G | 91 | Very high | 92.3 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | trans | -88.6 | -177.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | G74 S75 M76 | G72-G74 VanDerWaalsContact C-N 3.31Å; G72-G74 PolarHBondContact O-N 3.38Å; G72-S75 WeakPolarHBondContact O-CB 3.42Å; G72-S75 PolarHBondContact O-N 3.39Å; G72-M76 PolarHBondContact O-N 3.27Å; G72-M76 VanDerWaalsContact O-N 3.15Å | ||
| 73 | V | 93.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | S75 M76 T77 K98 A101 R102 L105 R122 | V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 2.66Å; V73-M76 PolarHBondContact O-N 2.84Å; V73-T77 WeakPolarHBondContact O-CG2 3.49Å; V73-T77 PolarHBondContact O-N 3.1Å; V73-K98 HydrophobicContact CG1-CB 4.33Å; V73-A101 HydrophobicContact CG1-CB 3.95Å; V73-R102 HydrophobicContact CG1-CB 4.41Å; V73-R102 HydrophobicContact CG2-CB 4.28Å; V73-L105 HydrophobicContact CG2-CD1 4.12Å; V73-R122 VanDerWaalsContact CG2-NH1 3.28Å |
| 74 | G | 92.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G72 T77 K78 | G72-G74 VanDerWaalsContact C-N 3.31Å; G72-G74 PolarHBondContact O-N 3.38Å; G74-T77 PolarHBondContact O-N 3.3Å; G74-T77 PolarHBondContact O-OG1 3.12Å; G74-K78 PolarHBondContact O-N 2.93Å |
| 75 | S | 92.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | G72 V73 T77 K78 I79 | G72-S75 WeakPolarHBondContact O-CB 3.42Å; G72-S75 PolarHBondContact O-N 3.39Å; V73-S75 VanDerWaalsContact C-N 3.34Å; V73-S75 PolarHBondContact O-N 2.66Å; S75-T77 VanDerWaalsContact C-N 3.29Å; S75-T77 PolarHBondContact O-N 2.93Å; S75-K78 WeakPolarHBondContact O-CA 3.49Å; S75-K78 VanDerWaalsContact O-CB 3.27Å; S75-K78 WeakPolarHBondContact O-CB 3.42Å; S75-K78 PolarHBondContact O-N 3.46Å; S75-I79 WeakPolarHBondContact O-CD1 3.29Å; S75-I79 WeakPolarHBondContact O-CG1 3.14Å; S75-I79 PolarHBondContact O-N 3.28Å |
| 76 | M | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 176.9 | -66.6 | -61.4 | 169.4 | 0 | 0 | 112.4 | T61 H64 L65 A71 G72 V73 K78 I79 Y80 A101 L105 | T61-M76 HydrophobicContact CG2-CE 3.8Å; T61-M76 HydrophobicContact CG2-CG 4.48Å; T61-M76 HydrophobicContact CG2-SD 3.88Å; H64-M76 HydrophobicContact CB-CE 4.37Å; L65-M76 HydrophobicContact CD2-CE 3.96Å; L65-M76 HydrophobicContact CG-CE 3.91Å; A71-M76 HydrophobicContact CB-CE 3.71Å; G72-M76 PolarHBondContact O-N 3.27Å; G72-M76 VanDerWaalsContact O-N 3.15Å; V73-M76 PolarHBondContact O-N 2.84Å; M76-K78 PolarHBondContact O-N 3.28Å; M76-I79 PolarHBondContact O-N 3.25Å; M76-I79 HydrophobicContact SD-CD1 3.9Å; M76-Y80 HydrophobicContact CB-CD2 4.31Å; M76-Y80 HydrophobicContact CB-CE2 4.39Å; M76-Y80 WeakPolarHBondContact O-CB 3.29Å; M76-Y80 WeakPolarHBondContact O-CD2 3.35Å; M76-Y80 PolarHBondContact O-N 3.35Å; M76-Y80 HydrophobicContact SD-CE2 4.1Å; M76-A101 HydrophobicContact CB-CB 4.01Å; M76-L105 HydrophobicContact CG-CD1 4.24Å |
| 77 | T | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.4 | -19.8 | 174.3 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | V73 G74 S75 G81 G96 K98 A101 | V73-T77 WeakPolarHBondContact O-CG2 3.49Å; V73-T77 PolarHBondContact O-N 3.1Å; G74-T77 PolarHBondContact O-N 3.3Å; G74-T77 PolarHBondContact O-OG1 3.12Å; S75-T77 VanDerWaalsContact C-N 3.29Å; S75-T77 PolarHBondContact O-N 2.93Å; T77-G81 PolarHBondContact O-N 3.31Å; T77-G96 WeakPolarHBondContact CG2-O 3.34Å; T77-G96 PolarHBondContact O-N 3.11Å; T77-K98 HydrophobicContact CG2-CB 4.36Å; T77-K98 HydrophobicContact CG2-CG 3.77Å; T77-A101 HydrophobicContact CG2-CB 4.27Å |
| 78 | K | 94.3 | Very high | 92.7 | Very high | 145 Ų | 145 | 63.7 Ų | 63.7 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77.2 | -48 | 171.9 | -159.1 | 176.3 | 179.2 | -177.9 | 0 | 110.4 | G74 S75 M76 Y80 G81 R95 | G74-K78 PolarHBondContact O-N 2.93Å; S75-K78 WeakPolarHBondContact O-CA 3.49Å; S75-K78 VanDerWaalsContact O-CB 3.27Å; S75-K78 WeakPolarHBondContact O-CB 3.42Å; S75-K78 PolarHBondContact O-N 3.46Å; M76-K78 PolarHBondContact O-N 3.28Å; K78-Y80 VanDerWaalsContact C-N 3.32Å; K78-Y80 PolarHBondContact O-N 3.19Å; K78-G81 PolarHBondContact O-N 2.94Å; K78-G81 VanDerWaalsContact O-N 3.08Å; K78-R95 VanDerWaalsContact CB-NH1 3.29Å |
| 79 | I | 93.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 179.9 | -64.8 | 152 | 0 | 0 | 0 | 110.6 | H64 S75 M76 G81 | H64-I79 WeakPolarHBondContact CE1-CD1 3.39Å; H64-I79 WeakPolarHBondContact NE2-CD1 3.41Å; S75-I79 WeakPolarHBondContact O-CD1 3.29Å; S75-I79 WeakPolarHBondContact O-CG1 3.14Å; S75-I79 PolarHBondContact O-N 3.28Å; M76-I79 PolarHBondContact O-N 3.25Å; M76-I79 HydrophobicContact SD-CD1 3.9Å; I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.92Å |
| 80 | Y | 94.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 17.2 | 178.4 | -55.9 | -50 | 0 | 0 | 0 | 113.3 | R57 S60 T61 M76 K78 | R57-Y80 VanDerWaalsContact NH1-CB 3.3Å; R57-Y80 VanDerWaalsContact NH1-CE1 3.35Å; S60-Y80 WeakPolarHBondContact CB-OH 3.41Å; S60-Y80 PolarHBondContact OG-OH 3.32Å; T61-Y80 WeakPolarHBondContact CA-OH 3.41Å; T61-Y80 PolarHBondContact N-OH 2.78Å; T61-Y80 VanDerWaalsContact N-OH 3.13Å; T61-Y80 PolarHBondContact OG1-OH 3.13Å; M76-Y80 HydrophobicContact CB-CD2 4.31Å; M76-Y80 HydrophobicContact CB-CE2 4.39Å; M76-Y80 WeakPolarHBondContact O-CB 3.29Å; M76-Y80 WeakPolarHBondContact O-CD2 3.35Å; M76-Y80 PolarHBondContact O-N 3.35Å; M76-Y80 HydrophobicContact SD-CE2 4.1Å; K78-Y80 VanDerWaalsContact C-N 3.32Å; K78-Y80 PolarHBondContact O-N 3.19Å |
| 81 | G | 93.9 | Very high | 94 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | trans | -73.8 | 175.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T77 K78 I79 S94 | T77-G81 PolarHBondContact O-N 3.31Å; K78-G81 PolarHBondContact O-N 2.94Å; K78-G81 VanDerWaalsContact O-N 3.08Å; I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.92Å; G81-S94 CarbonylContact C-O 3.53Å; G81-S94 WeakPolarHBondContact CA-O 3.37Å | ||
| 82 | G | 95.1 | Very high | 94.3 | Very high | 21 Ų | 21 | 71.9 Ų | 71.9 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H43 S94 | H43-G82 PolarHBondContact CE1-N 3.32Å; G82-S94 PolarHBondContact N-O 3.1Å; G82-S94 PolarHBondContact O-N 3.21Å |
| 83 | R | 94.6 | Very high | 94.6 | Very high | 181 Ų | 181 | 77 Ų | 77 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.5 | 175.8 | -172.1 | 176 | 74.2 | 132 | -4.7 | 110.2 | ||
| 84 | Q | 94.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 75.9 Ų | 75.9 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.6 | 171.7 | -173 | 172.4 | -29.3 | 0 | 0 | 109.5 | H43 N86 S91 H92 | H43-Q84 HydrophobicContact CB-CB 3.51Å; H43-Q84 HydrophobicContact CB-CG 3.73Å; Q84-N86 PolarHBondContact NE2-OD1 2.66Å; Q84-N86 VanDerWaalsContact NE2-OD1 3.14Å; Q84-S91 VanDerWaalsContact O-CA 3.25Å; Q84-S91 WeakPolarHBondContact O-CA 3.44Å; Q84-S91 WeakPolarHBondContact O-CB 3.44Å; Q84-H92 PolarHBondContact N-O 3.4Å; Q84-H92 PolarHBondContact O-N 3.42Å; Q84-H92 VanDerWaalsContact O-N 3.16Å |
| 85 | R | 94.2 | Very high | 94.7 | Very high | 194 Ų | 194 | 80 Ų | 80 | 73% | 0.732 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.6 | 167.9 | -175.8 | 178.3 | 173.5 | 170.7 | -3.4 | 108 | ||
| 86 | N | 93.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 78.9 Ų | 78.9 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 43.2 | -178.6 | -66 | -40.7 | 0 | 0 | 0 | 111 | Q84 V88 M89 P90 | Q84-N86 PolarHBondContact NE2-OD1 2.66Å; Q84-N86 VanDerWaalsContact NE2-OD1 3.14Å; N86-V88 PolarHBondContact O-N 3.48Å; N86-V88 VanDerWaalsContact O-N 3.07Å; N86-M89 HydrophobicContact CB-CB 3.9Å; N86-M89 PolarHBondContact O-N 2.97Å; N86-M89 VanDerWaalsContact O-N 3.12Å; N86-P90 PolarHBondContact ND2-O 2.93Å; N86-P90 VanDerWaalsContact ND2-O 3.17Å |
| 87 | G | 93.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 80.7 Ų | 80.7 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -108.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 88 | V | 96.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 87 Ų | 87 | 91% | 0.909 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.3 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | N86 | N86-V88 PolarHBondContact O-N 3.48Å; N86-V88 VanDerWaalsContact O-N 3.07Å |
| 89 | M | 95.8 | Very high | 94.4 | Very high | 132 Ų | 132 | 83 Ų | 83 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 157.5 | 178.8 | -65.4 | 180 | -178.7 | 0 | 0 | 112 | N86 | N86-M89 HydrophobicContact CB-CB 3.9Å; N86-M89 PolarHBondContact O-N 2.97Å; N86-M89 VanDerWaalsContact O-N 3.12Å |
| 90 | P | 96.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 80.3 Ų | 80.3 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 148.3 | 175.3 | -27.5 | 35.5 | 0 | 0 | 0 | 113.8 | N86 H92 | N86-P90 PolarHBondContact ND2-O 2.93Å; N86-P90 VanDerWaalsContact ND2-O 3.17Å; P90-H92 PolarHBondContact O-CD2 2.96Å |
| 91 | S | 96.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 79.1 Ų | 79.1 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 135.9 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | Q84 | Q84-S91 VanDerWaalsContact O-CA 3.25Å; Q84-S91 WeakPolarHBondContact O-CA 3.44Å; Q84-S91 WeakPolarHBondContact O-CB 3.44Å |
| 92 | H | 95.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 82.8 Ų | 82.8 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 161.5 | 178.5 | -69.4 | -73.9 | 0 | 0 | 0 | 112 | Q84 P90 | Q84-H92 PolarHBondContact N-O 3.4Å; Q84-H92 PolarHBondContact O-N 3.42Å; Q84-H92 VanDerWaalsContact O-N 3.16Å; P90-H92 PolarHBondContact O-CD2 2.96Å |
| 93 | V | 95.5 | Very high | 94.1 | Very high | 130 Ų | 130 | 87.6 Ų | 87.6 | 79% | 0.788 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 128 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 94 | S | 95 | Very high | 94 | Very high | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.028 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.3 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | K42 G81 G82 | K42-S94 WeakPolarHBondContact CE-OG 3.39Å; K42-S94 VanDerWaalsContact CG-OG 3.22Å; K42-S94 WeakPolarHBondContact CG-OG 3.31Å; G81-S94 CarbonylContact C-O 3.53Å; G81-S94 WeakPolarHBondContact CA-O 3.37Å; G82-S94 PolarHBondContact N-O 3.1Å; G82-S94 PolarHBondContact O-N 3.21Å |
| 95 | R | 95 | Very high | 93.9 | Very high | 131 Ų | 131 | 76.8 Ų | 76.8 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 157.9 | 168.2 | -60.7 | -64.1 | -179.4 | 129 | 1.6 | 111.7 | K78 | K78-R95 VanDerWaalsContact CB-NH1 3.29Š|
| 96 | G | 92.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 9% | 0.093 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 172.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V41 T77 K98 | V41-G96 VanDerWaalsContact CG1-CA 3.48Å; T77-G96 WeakPolarHBondContact CG2-O 3.34Å; T77-G96 PolarHBondContact O-N 3.11Å; G96-K98 PolarHBondContact O-N 2.93Å |
| 97 | S | 92.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 125.8 | 179.7 | 178 | 0 | 0 | 0 | 0 | 112 | L40 S99 V100 A101 | L40-S97 WeakPolarHBondContact O-CB 3.32Å; S97-S99 VanDerWaalsContact C-N 3.35Å; S97-S99 PolarHBondContact OG-N 2.8Å; S97-V100 PolarHBondContact OG-N 3.36Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 3Å |
| 98 | K | 93.3 | Very high | 93.7 | Very high | 137 Ų | 137 | 66.6 Ų | 66.6 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69 | -35 | 174.6 | -65.5 | 178.1 | -176.4 | 177.1 | 0 | 111.5 | V73 T77 G96 R102 | V73-K98 HydrophobicContact CG1-CB 4.33Å; T77-K98 HydrophobicContact CG2-CB 4.36Å; T77-K98 HydrophobicContact CG2-CG 3.77Å; G96-K98 PolarHBondContact O-N 2.93Å; K98-R102 VanDerWaalsContact O-CB 3.27Å; K98-R102 WeakPolarHBondContact O-CB 3.44Å; K98-R102 PolarHBondContact O-N 3.13Å |
| 99 | S | 91.2 | Very high | 93.5 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | S97 R102 R103 | S97-S99 VanDerWaalsContact C-N 3.35Å; S97-S99 PolarHBondContact OG-N 2.8Å; S99-R102 PolarHBondContact O-N 2.69Å; S99-R103 WeakPolarHBondContact O-CG 3.38Å; S99-R103 PolarHBondContact O-N 2.86Å |
| 100 | V | 91.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -51.7 | 175.3 | 177 | 0 | 0 | 0 | 0 | 110.6 | W33 W53 R57 S97 R102 R103 V104 | W33-V100 HydrophobicContact CH2-CG2 3.84Å; W33-V100 HydrophobicContact CZ3-CG2 3.93Å; W53-V100 HydrophobicContact CH2-CG1 3.92Å; W53-V100 HydrophobicContact CH2-CG2 4.26Å; W53-V100 HydrophobicContact CZ3-CG1 3.7Å; R57-V100 HydrophobicContact CG-CG1 4.45Å; S97-V100 PolarHBondContact OG-N 3.36Å; V100-R102 VanDerWaalsContact C-N 3.29Å; V100-R102 PolarHBondContact O-N 2.97Å; V100-R103 PolarHBondContact O-N 3.18Å; V100-V104 HydrophobicContact CG1-CG2 4.29Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 2.91Å; V100-V104 PolarHBondContact O-N 2.87Å |
| 101 | A | 92.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -39.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V73 M76 T77 S97 L105 | V73-A101 HydrophobicContact CG1-CB 3.95Å; M76-A101 HydrophobicContact CB-CB 4.01Å; T77-A101 HydrophobicContact CG2-CB 4.27Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 3Å; A101-L105 WeakPolarHBondContact O-CD1 3.14Å; A101-L105 VanDerWaalsContact O-CG 3.29Å; A101-L105 WeakPolarHBondContact O-CG 3.02Å; A101-L105 PolarHBondContact O-N 3.25Å |
| 102 | R | 93.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 176.9 | -172.7 | -174.5 | -60.3 | 106.9 | -5.2 | 111.9 | V73 K98 S99 V100 L105 Q106 | V73-R102 HydrophobicContact CG1-CB 4.41Å; V73-R102 HydrophobicContact CG2-CB 4.28Å; K98-R102 VanDerWaalsContact O-CB 3.27Å; K98-R102 WeakPolarHBondContact O-CB 3.44Å; K98-R102 PolarHBondContact O-N 3.13Å; S99-R102 PolarHBondContact O-N 2.69Å; V100-R102 VanDerWaalsContact C-N 3.29Å; V100-R102 PolarHBondContact O-N 2.97Å; R102-L105 PolarHBondContact O-N 2.98Å; R102-Q106 WeakPolarHBondContact O-CG 3.17Å; R102-Q106 PolarHBondContact O-N 2.64Å |
| 103 | R | 92.6 | Very high | 92.2 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | -179.1 | -69 | -53.5 | -176.5 | 171.1 | 3.4 | 112.2 | P31 W33 F54 S99 V100 L105 Q106 A107 | P31-R103 HydrophobicContact CB-CG 4.41Å; P31-R103 HydrophobicContact CG-CB 4.29Å; P31-R103 HydrophobicContact CG-CG 4.41Å; W33-R103 HydrophobicContact CH2-CG 4.34Å; W33-R103 HydrophobicContact CZ2-CG 3.71Å; F54-R103 HydrophobicContact CE2-CB 4.49Å; F54-R103 HydrophobicContact CZ-CB 4.4Å; S99-R103 WeakPolarHBondContact O-CG 3.38Å; S99-R103 PolarHBondContact O-N 2.86Å; V100-R103 PolarHBondContact O-N 3.18Å; R103-L105 PolarHBondContact O-N 3Å; R103-Q106 PolarHBondContact O-N 3.36Å; R103-A107 WeakPolarHBondContact O-CB 3.32Å; R103-A107 PolarHBondContact O-N 3.06Å |
| 104 | V | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | F54 R57 A58 T61 V100 A107 L108 | F54-V104 HydrophobicContact CD2-CG2 4.1Å; F54-V104 HydrophobicContact CE2-CG2 3.47Å; F54-V104 VanDerWaalsContact CE2-CG2 3.47Å; F54-V104 HydrophobicContact CZ-CG2 3.79Å; R57-V104 HydrophobicContact CB-CG2 4.43Å; R57-V104 HydrophobicContact CG-CG2 3.81Å; A58-V104 HydrophobicContact CB-CG1 4.09Å; T61-V104 HydrophobicContact CG2-CG1 4.15Å; V100-V104 HydrophobicContact CG1-CG2 4.29Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 2.91Å; V100-V104 PolarHBondContact O-N 2.87Å; V104-A107 PolarHBondContact O-N 3.45Å; V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.25Å |
| 105 | L | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.9 | -68 | 168.1 | 0 | 0 | 0 | 112.1 | T61 L65 V73 M76 A101 R102 R103 A107 L108 E109 R122 | T61-L105 HydrophobicContact CG2-CD2 3.59Å; T61-L105 HydrophobicContact CG2-CG 4.35Å; L65-L105 HydrophobicContact CD1-CD2 3.88Å; V73-L105 HydrophobicContact CG2-CD1 4.12Å; M76-L105 HydrophobicContact CG-CD1 4.24Å; A101-L105 WeakPolarHBondContact O-CD1 3.14Å; A101-L105 VanDerWaalsContact O-CG 3.29Å; A101-L105 WeakPolarHBondContact O-CG 3.02Å; A101-L105 PolarHBondContact O-N 3.25Å; R102-L105 PolarHBondContact O-N 2.98Å; R103-L105 PolarHBondContact O-N 3Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-L108 PolarHBondContact O-N 3.21Å; L105-E109 WeakPolarHBondContact O-CG 3.29Å; L105-E109 PolarHBondContact O-N 3.21Å; L105-R122 VanDerWaalsContact CD1-NH1 3.32Å |
| 106 | Q | 92.5 | Very high | 91.8 | Very high | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 173.9 | -73.1 | 171.9 | -23.7 | 0 | 0 | 112.4 | R102 R103 E109 G110 | R102-Q106 WeakPolarHBondContact O-CG 3.17Å; R102-Q106 PolarHBondContact O-N 2.64Å; R103-Q106 PolarHBondContact O-N 3.36Å; Q106-E109 PolarHBondContact O-N 3.34Å; Q106-G110 PolarHBondContact O-N 3Å |
| 107 | A | 92 | Very high | 91.6 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 F54 R103 V104 L105 G110 L111 | L28-A107 HydrophobicContact CD2-CB 4.34Å; L28-A107 HydrophobicContact CG-CB 4.25Å; F54-A107 HydrophobicContact CE1-CB 4.33Å; F54-A107 HydrophobicContact CZ-CB 4.5Å; R103-A107 WeakPolarHBondContact O-CB 3.32Å; R103-A107 PolarHBondContact O-N 3.06Å; V104-A107 PolarHBondContact O-N 3.45Å; L105-A107 VanDerWaalsContact C-N 3.34Å; A107-G110 PolarHBondContact O-N 3.31Å; A107-L111 PolarHBondContact O-N 2.85Å |
| 108 | L | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 174.7 | -70.2 | 172.9 | 0 | 0 | 0 | 112.9 | A58 T61 A62 V104 L105 L111 K112 M113 V114 | A58-L108 HydrophobicContact CB-CD2 4.3Å; T61-L108 HydrophobicContact CG2-CD1 4.23Å; A62-L108 HydrophobicContact CB-CD1 4.21Å; A62-L108 HydrophobicContact CB-CD2 4.4Å; V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.25Å; L105-L108 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 3.36Å; L108-K112 PolarHBondContact O-N 3.42Å; L108-M113 HydrophobicContact CD2-SD 4.48Å; L108-M113 PolarHBondContact O-N 2.98Å; L108-V114 HydrophobicContact CB-CB 4.11Å; L108-V114 HydrophobicContact CB-CG2 3.82Å; L108-V114 HydrophobicContact CD1-CG2 4.25Å |
| 109 | E | 92 | Very high | 90.4 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 170.1 | -76 | 168.9 | -157.5 | 0 | 0 | 111.2 | L105 Q106 L111 K112 V114 R122 | L105-E109 WeakPolarHBondContact O-CG 3.29Å; L105-E109 PolarHBondContact O-N 3.21Å; Q106-E109 PolarHBondContact O-N 3.34Å; E109-L111 PolarHBondContact O-N 3.39Å; E109-K112 PolarHBondContact O-N 3.48Å; E109-V114 WeakPolarHBondContact CA-O 3.48Å; E109-V114 HydrophobicContact CG-CG1 4.46Å; E109-R122 IonicContact OE1-CZ 3.2Å; E109-R122 IonicContact OE1-NE 2.68Å; E109-R122 PolarHBondContact OE1-NE 3.21Å; E109-R122 IonicContact OE1-NH2 2.84Å; E109-R122 PolarHBondContact OE1-NH2 2.92Å; E109-R122 IonicContact OE2-NH2 3.97Å |
| 110 | G | 89.8 | Confident | 90 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -27.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q106 A107 K112 | Q106-G110 PolarHBondContact O-N 3Å; A107-G110 PolarHBondContact O-N 3.31Å; G110-K112 VanDerWaalsContact C-N 3.3Å |
| 111 | L | 88.5 | Confident | 89.9 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1 | 173.6 | -69.4 | 177.6 | 0 | 0 | 0 | 113.8 | L22 K27 L28 A107 L108 E109 M113 | L22-L111 HydrophobicContact CD2-CD1 3.93Å; K27-L111 HydrophobicContact CB-CD2 3.44Å; K27-L111 VanDerWaalsContact CB-CD2 3.44Å; L28-L111 HydrophobicContact CB-CD1 3.98Å; L28-L111 HydrophobicContact CD1-CD1 3.77Å; L28-L111 HydrophobicContact CG-CD1 4.04Å; A107-L111 PolarHBondContact O-N 2.85Å; L108-L111 PolarHBondContact O-N 3.36Å; E109-L111 PolarHBondContact O-N 3.39Å; L111-M113 HydrophobicContact CB-CG 4.1Å; L111-M113 PolarHBondContact O-N 2.93Å; L111-M113 VanDerWaalsContact O-N 3.11Å |
| 112 | K | 90.7 | Very high | 89.8 | Confident | 148 Ų | 148 | 60.4 Ų | 60.4 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 20.9 | -175.4 | -56.8 | -176.3 | 177 | -176.2 | 0 | 114.3 | L108 E109 G110 T125 | L108-K112 PolarHBondContact O-N 3.42Å; E109-K112 PolarHBondContact O-N 3.48Å; G110-K112 VanDerWaalsContact C-N 3.3Å; K112-T125 WeakPolarHBondContact O-CG2 3.45Å; K112-T125 PolarHBondContact O-OG1 3.36Å |
| 113 | M | 89.3 | Confident | 89.7 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -83.4 | -24.3 | 174.4 | -64.5 | -169.9 | 80.5 | 0 | 0 | 112.2 | L22 L108 L111 T125 D131 L132 | L22-M113 HydrophobicContact CD2-SD 4.08Å; L108-M113 HydrophobicContact CD2-SD 4.48Å; L108-M113 PolarHBondContact O-N 2.98Å; L111-M113 HydrophobicContact CB-CG 4.1Å; L111-M113 PolarHBondContact O-N 2.93Å; L111-M113 VanDerWaalsContact O-N 3.11Å; M113-T125 PolarHBondContact O-N 2.98Å; M113-T125 VanDerWaalsContact O-N 3.1Å; M113-T125 PolarHBondContact O-OG1 2.81Å; M113-D131 HydrophobicContact CE-CB 4.05Å; M113-L132 HydrophobicContact CE-CD2 4.35Å; M113-L132 HydrophobicContact CE-CG 4.31Å |
| 114 | V | 92.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.2 | -176.6 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | L65 L108 E109 R122 K123 | L65-V114 HydrophobicContact CD1-CB 4.44Å; L65-V114 HydrophobicContact CD1-CG1 3.82Å; L65-V114 HydrophobicContact CD1-CG2 3.64Å; L108-V114 HydrophobicContact CB-CB 4.11Å; L108-V114 HydrophobicContact CB-CG2 3.82Å; L108-V114 HydrophobicContact CD1-CG2 4.25Å; E109-V114 WeakPolarHBondContact CA-O 3.48Å; E109-V114 HydrophobicContact CG-CG1 4.46Å; V114-R122 HydrophobicContact CG1-CB 3.65Å; V114-R122 HydrophobicContact CG1-CG 3.84Å; V114-K123 CarbonylContact C-O 3.6Å; V114-K123 WeakPolarHBondContact CA-O 3.35Å; V114-K123 WeakPolarHBondContact CG1-O 3.42Å |
| 115 | E | 92.1 | Very high | 89.7 | Confident | 77 Ų | 77 | 57 Ų | 57 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 163.7 | 174.7 | 63.4 | -175 | 176.5 | 0 | 0 | 111.1 | R122 K123 T125 | E115-R122 CarbonylContact O-C 3.58Å; E115-R122 VanDerWaalsContact O-CA 3.28Å; E115-R122 WeakPolarHBondContact O-CA 3.28Å; E115-K123 HydrophobicContact CG-CD 4.42Å; E115-K123 HydrophobicContact CG-CG 3.64Å; E115-K123 PolarHBondContact N-O 3.29Å; E115-K123 PolarHBondContact O-N 2.82Å; E115-K123 VanDerWaalsContact O-O 3.12Å; E115-K123 WeakPolarHBondContact OE1-CE 3.33Å; E115-T125 HydrophobicContact CB-CG2 3.74Å; E115-T125 HydrophobicContact CG-CG2 3.82Å |
| 116 | K | 91.6 | Very high | 89.7 | Confident | 149 Ų | 149 | 61.1 Ų | 61.1 | 65% | 0.648 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 138 | 172.7 | -65.3 | 179.7 | -176 | 173.9 | 0 | 108.9 | ||
| 117 | D | 88.4 | Confident | 89.6 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | trans | -90.9 | 151 | 175.1 | -160.1 | 13.1 | 0 | 0 | 0 | 111.2 | G119 G120 G121 K123 | D117-G119 VanDerWaalsContact C-N 3.32Å; D117-G119 PolarHBondContact O-N 3.45Å; D117-G120 PolarHBondContact O-N 3.01Å; D117-G120 VanDerWaalsContact O-N 3.11Å; D117-G121 PolarHBondContact N-O 3.28Å; D117-K123 HydrophobicContact CB-CB 4.43Å; D117-K123 HydrophobicContact CB-CD 4.12Å; D117-K123 HydrophobicContact CB-CG 4.16Å; D117-K123 WeakPolarHBondContact OD1-CD 3.41Å; D117-K123 WeakPolarHBondContact OD1-CE 3.27Å; D117-K123 IonicContact OD1-NZ 2.83Å; D117-K123 PolarHBondContact OD1-NZ 3.3Å | ||
| 118 | Q | 82.1 | Confident | 89.5 | Confident | 192 Ų | 192 | 61.8 Ų | 61.8 | 90% | 0.897 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -36.7 | -179.4 | -68.6 | 176.4 | -6.3 | 0 | 0 | 111.4 | G120 | Q118-G120 PolarHBondContact O-N 3.36Š|
| 119 | G | 78.8 | Confident | 89.6 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 81% | 0.814 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 9.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D117 | D117-G119 VanDerWaalsContact C-N 3.32Å; D117-G119 PolarHBondContact O-N 3.45Å |
| 120 | G | 83.6 | Confident | 89.6 | Confident | 39 Ų | 39 | 72 Ų | 72 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 89.3 | 161 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D117 Q118 | D117-G120 PolarHBondContact O-N 3.01Å; D117-G120 VanDerWaalsContact O-N 3.11Å; Q118-G120 PolarHBondContact O-N 3.36Å |
| 121 | G | 87.7 | Confident | 89.7 | Confident | 29 Ų | 29 | 71 Ų | 71 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 79.1 | -149.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D117 | D117-G121 PolarHBondContact N-O 3.28Š|
| 122 | R | 91.1 | Very high | 89.8 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147.6 | -178.4 | -79.7 | 119.4 | 167.6 | 158.5 | 3.1 | 111.7 | L65 G70 A71 V73 L105 E109 V114 E115 | L65-R122 HydrophobicContact CD2-CB 4.19Å; L65-R122 WeakPolarHBondContact CD2-O 3.33Å; G70-R122 WeakPolarHBondContact CA-O 3.43Å; G70-R122 PolarHBondContact N-O 2.93Å; A71-R122 PolarHBondContact N-O 3.23Å; A71-R122 PolarHBondContact O-N 2.9Å; V73-R122 VanDerWaalsContact CG2-NH1 3.28Å; L105-R122 VanDerWaalsContact CD1-NH1 3.32Å; E109-R122 IonicContact OE1-CZ 3.2Å; E109-R122 IonicContact OE1-NE 2.68Å; E109-R122 PolarHBondContact OE1-NE 3.21Å; E109-R122 IonicContact OE1-NH2 2.84Å; E109-R122 PolarHBondContact OE1-NH2 2.92Å; E109-R122 IonicContact OE2-NH2 3.97Å; V114-R122 HydrophobicContact CG1-CB 3.65Å; V114-R122 HydrophobicContact CG1-CG 3.84Å; E115-R122 CarbonylContact O-C 3.58Å; E115-R122 VanDerWaalsContact O-CA 3.28Å; E115-R122 WeakPolarHBondContact O-CA 3.28Å |
| 123 | K | 90.9 | Very high | 90 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 160.3 | 171.9 | 66 | -179.4 | 175.7 | -158 | 0 | 110.2 | V114 E115 D117 | V114-K123 CarbonylContact C-O 3.6Å; V114-K123 WeakPolarHBondContact CA-O 3.35Å; V114-K123 WeakPolarHBondContact CG1-O 3.42Å; E115-K123 HydrophobicContact CG-CD 4.42Å; E115-K123 HydrophobicContact CG-CG 3.64Å; E115-K123 PolarHBondContact N-O 3.29Å; E115-K123 PolarHBondContact O-N 2.82Å; E115-K123 VanDerWaalsContact O-O 3.12Å; E115-K123 WeakPolarHBondContact OE1-CE 3.33Å; D117-K123 HydrophobicContact CB-CB 4.43Å; D117-K123 HydrophobicContact CB-CD 4.12Å; D117-K123 HydrophobicContact CB-CG 4.16Å; D117-K123 WeakPolarHBondContact OD1-CD 3.41Å; D117-K123 WeakPolarHBondContact OD1-CE 3.27Å; D117-K123 IonicContact OD1-NZ 2.83Å; D117-K123 PolarHBondContact OD1-NZ 3.3Å |
| 124 | R | 91.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 72.2 Ų | 72.2 | 28% | 0.279 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 146.4 | 172.2 | 66.9 | -155.2 | 176.7 | -117.2 | 12.4 | 110 | L65 Y66 | L65-R124 PolarHBondContact O-NH1 2.84Å; Y66-R124 VanDerWaalsContact C-NH1 3.28Å; Y66-R124 VanDerWaalsContact O-CZ 3.25Å; Y66-R124 PolarHBondContact O-NH1 2.68Å |
| 125 | T | 93.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | trans | -79.7 | 160.8 | 170.2 | 59.8 | 0 | 0 | 0 | 0 | 110 | K112 M113 E115 Q127 G128 Q129 | K112-T125 WeakPolarHBondContact O-CG2 3.45Å; K112-T125 PolarHBondContact O-OG1 3.36Å; M113-T125 PolarHBondContact O-N 2.98Å; M113-T125 VanDerWaalsContact O-N 3.1Å; M113-T125 PolarHBondContact O-OG1 2.81Å; E115-T125 HydrophobicContact CB-CG2 3.74Å; E115-T125 HydrophobicContact CG-CG2 3.82Å; T125-Q127 PolarHBondContact O-N 3.35Å; T125-G128 PolarHBondContact O-N 2.83Å; T125-G128 VanDerWaalsContact O-N 3.12Å; T125-G128 PolarHBondContact OG1-N 3.42Å; T125-Q129 PolarHBondContact O-N 3.29Å | ||
| 126 | P | 92.4 | Very high | 90.1 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.8 | -35.5 | 171.1 | -26.1 | 35.2 | 0 | 0 | 0 | 112.7 | R130 | P126-R130 WeakPolarHBondContact O-CG 3.27Å; P126-R130 PolarHBondContact O-N 3.25Å |
| 127 | Q | 91.1 | Very high | 90.1 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 173.5 | -178.6 | 178.6 | -6.9 | 0 | 0 | 111.4 | T125 Q129 R130 D131 | T125-Q127 PolarHBondContact O-N 3.35Å; Q127-Q129 PolarHBondContact O-N 2.89Å; Q127-R130 PolarHBondContact O-N 3.08Å; Q127-R130 VanDerWaalsContact O-N 3.13Å; Q127-D131 PolarHBondContact O-N 3.47Å |
| 128 | G | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T125 L132 | T125-G128 PolarHBondContact O-N 2.83Å; T125-G128 VanDerWaalsContact O-N 3.12Å; T125-G128 PolarHBondContact OG1-N 3.42Å; G128-L132 WeakPolarHBondContact O-CB 3.43Å; G128-L132 WeakPolarHBondContact O-CD1 3.46Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.46Å |
| 129 | Q | 92.2 | Very high | 90.6 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 173.3 | 179.1 | 159.7 | -10.6 | 0 | 0 | 112.1 | Y66 T125 Q127 D131 L132 D133 | Y66-Q129 HydrophobicContact CE2-CG 3.95Å; T125-Q129 PolarHBondContact O-N 3.29Å; Q127-Q129 PolarHBondContact O-N 2.89Å; Q129-D131 VanDerWaalsContact C-N 3.31Å; Q129-D131 PolarHBondContact O-N 3.45Å; Q129-L132 PolarHBondContact O-N 2.95Å; Q129-D133 WeakPolarHBondContact CG-OD2 3.41Å; Q129-D133 PolarHBondContact O-N 3.38Å |
| 130 | R | 92.4 | Very high | 91.1 | Very high | 190 Ų | 190 | 53.9 Ų | 53.9 | 72% | 0.717 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.8 | -42.9 | 176.7 | -67.1 | 176 | -158.7 | -176.8 | 4.5 | 112.2 | P126 Q127 D133 R134 | P126-R130 WeakPolarHBondContact O-CG 3.27Å; P126-R130 PolarHBondContact O-N 3.25Å; Q127-R130 PolarHBondContact O-N 3.08Å; Q127-R130 VanDerWaalsContact O-N 3.13Å; R130-D133 PolarHBondContact O-N 3.04Å; R130-R134 VanDerWaalsContact O-CB 3.27Å; R130-R134 WeakPolarHBondContact O-CB 3.4Å; R130-R134 PolarHBondContact O-N 2.86Å |
| 131 | D | 91.1 | Very high | 91.3 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 179.3 | -70.7 | -24.9 | 0 | 0 | 0 | 111.5 | M113 Q127 Q129 I135 | M113-D131 HydrophobicContact CE-CB 4.05Å; Q127-D131 PolarHBondContact O-N 3.47Å; Q129-D131 VanDerWaalsContact C-N 3.31Å; Q129-D131 PolarHBondContact O-N 3.45Å; D131-I135 WeakPolarHBondContact O-CD1 3.43Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.27Å; D131-I135 PolarHBondContact O-N 3.33Å; D131-I135 VanDerWaalsContact O-N 3.15Å |
| 132 | L | 92.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 177.5 | -69.8 | 169.8 | 0 | 0 | 0 | 112 | V6 F14 L18 A62 Y66 M113 G128 Q129 I135 A136 | V6-L132 HydrophobicContact CG2-CB 3.87Å; F14-L132 HydrophobicContact CE1-CD2 4.19Å; F14-L132 WeakPolarHBondContact CE2-O 3.15Å; F14-L132 HydrophobicContact CZ-CB 4.28Å; F14-L132 HydrophobicContact CZ-CD2 3.78Å; L18-L132 HydrophobicContact CD1-CD2 3.98Å; L18-L132 HydrophobicContact CD2-CD2 3.46Å; L18-L132 VanDerWaalsContact CD2-CD2 3.46Å; L18-L132 HydrophobicContact CG-CD2 4.39Å; A62-L132 HydrophobicContact CB-CD2 4.41Å; Y66-L132 HydrophobicContact CD2-CB 4.22Å; Y66-L132 HydrophobicContact CD2-CD1 3.75Å; Y66-L132 HydrophobicContact CE2-CB 4.45Å; Y66-L132 HydrophobicContact CG-CD1 4.39Å; M113-L132 HydrophobicContact CE-CD2 4.35Å; M113-L132 HydrophobicContact CE-CG 4.31Å; G128-L132 WeakPolarHBondContact O-CB 3.43Å; G128-L132 WeakPolarHBondContact O-CD1 3.46Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.46Å; Q129-L132 PolarHBondContact O-N 2.95Å; L132-I135 PolarHBondContact O-N 2.98Å; L132-A136 PolarHBondContact O-N 3.21Å |
| 133 | D | 93.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 179.4 | -68.1 | -28.9 | 0 | 0 | 0 | 111.4 | Y66 Q129 R130 I135 A136 G137 | Y66-D133 VanDerWaalsContact CE2-OD1 3.31Å; Y66-D133 WeakPolarHBondContact CE2-OD1 3.39Å; Y66-D133 VanDerWaalsContact CZ-OD1 3.28Å; Y66-D133 PolarHBondContact OH-OD1 3.4Å; Q129-D133 WeakPolarHBondContact CG-OD2 3.41Å; Q129-D133 PolarHBondContact O-N 3.38Å; R130-D133 PolarHBondContact O-N 3.04Å; D133-I135 VanDerWaalsContact C-N 3.35Å; D133-I135 PolarHBondContact O-N 3.35Å; D133-A136 WeakPolarHBondContact O-CB 3.46Å; D133-A136 PolarHBondContact O-N 3.15Å; D133-G137 PolarHBondContact O-N 3.39Å |
| 134 | R | 92.4 | Very high | 89.4 | Confident | 177 Ų | 177 | 61.2 Ų | 61.2 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 173.5 | -179.1 | -179.4 | 175 | -179.4 | 1.9 | 112 | R130 A136 G137 Q138 | R130-R134 VanDerWaalsContact O-CB 3.27Å; R130-R134 WeakPolarHBondContact O-CB 3.4Å; R130-R134 PolarHBondContact O-N 2.86Å; R134-A136 VanDerWaalsContact C-N 3.33Å; R134-G137 PolarHBondContact O-N 3.3Å; R134-Q138 PolarHBondContact O-N 3.23Å; R134-Q138 VanDerWaalsContact O-N 3.15Å |
| 135 | I | 92.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.1 | -67.7 | 166.5 | 0 | 0 | 0 | 110.4 | F14 A17 L18 F21 D131 L132 D133 G137 Q138 V139 | F14-I135 HydrophobicContact CD2-CG2 4.28Å; F14-I135 HydrophobicContact CE2-CB 4.19Å; F14-I135 HydrophobicContact CE2-CG2 3.93Å; A17-I135 HydrophobicContact CB-CG2 4.27Å; L18-I135 HydrophobicContact CD1-CD1 3.46Å; L18-I135 VanDerWaalsContact CD1-CD1 3.46Å; F21-I135 HydrophobicContact CB-CD1 4.06Å; F21-I135 HydrophobicContact CD1-CD1 3.69Å; F21-I135 HydrophobicContact CD2-CD1 4.37Å; F21-I135 HydrophobicContact CE1-CD1 4.21Å; F21-I135 HydrophobicContact CG-CD1 3.78Å; D131-I135 WeakPolarHBondContact O-CD1 3.43Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.27Å; D131-I135 PolarHBondContact O-N 3.33Å; D131-I135 VanDerWaalsContact O-N 3.15Å; L132-I135 PolarHBondContact O-N 2.98Å; D133-I135 VanDerWaalsContact C-N 3.35Å; D133-I135 PolarHBondContact O-N 3.35Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3.41Å; I135-Q138 WeakPolarHBondContact O-CB 3.27Å; I135-Q138 PolarHBondContact O-N 3.34Å; I135-Q138 VanDerWaalsContact O-N 3.15Å; I135-V139 HydrophobicContact CG2-CG2 4.48Å; I135-V139 WeakPolarHBondContact O-CG2 2.85Å; I135-V139 PolarHBondContact O-N 3.34Å |
| 136 | A | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V4 V6 V9 F14 L132 D133 R134 Q138 V139 A140 | V4-A136 HydrophobicContact CG1-CB 4.39Å; V6-A136 HydrophobicContact CG2-CB 4.36Å; V9-A136 HydrophobicContact CG1-CB 4.19Å; V9-A136 WeakPolarHBondContact CG1-O 3.5Å; V9-A136 HydrophobicContact CG2-CB 4.03Å; F14-A136 HydrophobicContact CD2-CB 4.19Å; F14-A136 HydrophobicContact CE2-CB 3.94Å; L132-A136 PolarHBondContact O-N 3.21Å; D133-A136 WeakPolarHBondContact O-CB 3.46Å; D133-A136 PolarHBondContact O-N 3.15Å; R134-A136 VanDerWaalsContact C-N 3.33Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; A136-V139 PolarHBondContact O-N 3.36Å; A136-A140 PolarHBondContact O-N 3.24Å |
| 137 | G | 91.8 | Very high | 85.1 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D133 R134 I135 A141 | D133-G137 PolarHBondContact O-N 3.39Å; R134-G137 PolarHBondContact O-N 3.3Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3.41Å; G137-A141 WeakPolarHBondContact O-CB 3.36Å; G137-A141 PolarHBondContact O-N 3.11Å |
| 138 | Q | 90.2 | Very high | 84.8 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 175.5 | -70 | 178 | -16.2 | 0 | 0 | 112.4 | R134 I135 A136 A141 A142 | R134-Q138 PolarHBondContact O-N 3.23Å; R134-Q138 VanDerWaalsContact O-N 3.15Å; I135-Q138 WeakPolarHBondContact O-CB 3.27Å; I135-Q138 PolarHBondContact O-N 3.34Å; I135-Q138 VanDerWaalsContact O-N 3.15Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; Q138-A141 PolarHBondContact O-N 3.48Å; Q138-A142 WeakPolarHBondContact O-CB 3.25Å; Q138-A142 PolarHBondContact O-N 2.81Å |
| 139 | V | 90.8 | Very high | 84.5 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | V9 E13 A17 I135 A136 A141 A142 N143 | V9-V139 HydrophobicContact CB-CG1 4.33Å; V9-V139 HydrophobicContact CG1-CB 4.48Å; V9-V139 HydrophobicContact CG1-CG1 4.42Å; E13-V139 HydrophobicContact CB-CG1 4.13Å; A17-V139 HydrophobicContact CB-CG2 3.51Å; I135-V139 HydrophobicContact CG2-CG2 4.48Å; I135-V139 WeakPolarHBondContact O-CG2 2.85Å; I135-V139 PolarHBondContact O-N 3.34Å; A136-V139 PolarHBondContact O-N 3.36Å; V139-A141 VanDerWaalsContact C-N 3.32Å; V139-A141 PolarHBondContact O-N 2.8Å; V139-A142 PolarHBondContact O-N 2.93Å; V139-N143 PolarHBondContact O-N 3.2Å; V139-N143 PolarHBondContact O-OD1 3.14Å |
| 140 | A | 88.8 | Confident | 84 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V4 V9 A136 K144 | V4-A140 HydrophobicContact CB-CB 4.46Å; V4-A140 HydrophobicContact CG1-CB 3.78Å; V4-A140 HydrophobicContact CG2-CB 4.12Å; V9-A140 HydrophobicContact CG1-CB 4Å; A136-A140 PolarHBondContact O-N 3.24Å; A140-K144 WeakPolarHBondContact O-CG 3.22Å; A140-K144 PolarHBondContact O-N 3.16Å |
| 141 | A | 87 | Confident | 83.5 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G137 Q138 V139 | G137-A141 WeakPolarHBondContact O-CB 3.36Å; G137-A141 PolarHBondContact O-N 3.11Å; Q138-A141 PolarHBondContact O-N 3.48Å; V139-A141 VanDerWaalsContact C-N 3.32Å; V139-A141 PolarHBondContact O-N 2.8Å |
| 142 | A | 84.8 | Confident | 83 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q138 V139 K144 K145 | Q138-A142 WeakPolarHBondContact O-CB 3.25Å; Q138-A142 PolarHBondContact O-N 2.81Å; V139-A142 PolarHBondContact O-N 2.93Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 2.73Å; A142-K145 PolarHBondContact O-N 3.12Å |
| 143 | N | 78.3 | Confident | 82.3 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 40% | 0.401 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.9 | -25.7 | -179 | -70.5 | -3.6 | 0 | 0 | 0 | 113.9 | E13 V139 K145 | E13-N143 PolarHBondContact OE2-ND2 3.17Å; E13-N143 PolarHBondContact OE2-OD1 3.33Å; V139-N143 PolarHBondContact O-N 3.2Å; V139-N143 PolarHBondContact O-OD1 3.14Å; N143-K145 VanDerWaalsContact C-N 3.27Å; N143-K145 PolarHBondContact O-N 3.07Å |
| 144 | K | 68.3 | Low | 81.5 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10.1 | 175.4 | -74.3 | -178.5 | -179.7 | -177.1 | 0 | 114.3 | A140 A142 H146 | A140-K144 WeakPolarHBondContact O-CG 3.22Å; A140-K144 PolarHBondContact O-N 3.16Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 2.73Å; K144-H146 VanDerWaalsContact C-N 3.3Å |
| 145 | K | 58.8 | Low | 80.6 | Confident | 182 Ų | 182 | 74.8 Ų | 74.8 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.3 | -179.8 | -72.1 | -174.7 | 174.9 | -170.9 | 0 | 113.2 | A142 N143 | A142-K145 PolarHBondContact O-N 3.12Å; N143-K145 VanDerWaalsContact C-N 3.27Å; N143-K145 PolarHBondContact O-N 3.07Å |
| 146 | H | 44 | Very low | 79.5 | Confident | 229 Ų | 229 | 81.1 Ų | 81.1 | 100% | 1.06 | 43% | 0.428 | S | S | * | . | trans | -108.2 | 0 | 168.9 | -76.9 | -68.4 | 0 | 0 | 0 | 109 | K144 | K144-H146 VanDerWaalsContact C-N 3.3Š|
Retrieved 146 of 146 residues in 132.1 ms
(Link to these results)