| 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 | 88.1 | Confident | 95.7 | Very high | 130 Ų | 130 | 78.6 Ų | 78.6 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | 0 | -173.3 | 0 | -82.2 | 80 | 88.3 | 0 | 0 | 107.7 | H52 V53 | M1-H52 PolarHBondContact O-NE2 3.34Å; M1-V53 PolarHBondContact N-O 3.04Å | |||
| 2 | I | 93 | Very high | 95.7 | Very high | 121 Ų | 121 | 79.8 Ų | 79.8 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 148 | 175.7 | -57 | 171.6 | 0 | 0 | 0 | 110.7 | I56 | I2-I56 HydrophobicContact CD1-CG1 4.49Å; I2-I56 HydrophobicContact CG1-CB 4.21Å; I2-I56 HydrophobicContact CG1-CG1 4.14Å; I2-I56 HydrophobicContact CG1-CG2 4.35Å |
| 3 | I | 95.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 141 | 178.4 | -164.9 | 173.5 | 0 | 0 | 0 | 111.7 | V5 V14 W18 L49 H52 | I3-V5 PolarHBondContact O-N 3.12Å; I3-V14 HydrophobicContact CD1-CG1 4.14Å; I3-W18 HydrophobicContact CB-CB 4.4Å; I3-W18 HydrophobicContact CB-CG 4.39Å; I3-W18 HydrophobicContact CD1-CB 3.78Å; I3-W18 HydrophobicContact CD1-CD2 4.09Å; I3-W18 HydrophobicContact CD1-CE3 3.76Å; I3-W18 HydrophobicContact CD1-CG 4.13Å; I3-W18 HydrophobicContact CG2-CB 3.9Å; I3-W18 HydrophobicContact CG2-CG 4.26Å; I3-L49 HydrophobicContact CD1-CD2 4.48Å; I3-L49 HydrophobicContact CD1-CG 4.04Å; I3-H52 WeakPolarHBondContact CA-NE2 3.38Å; I3-H52 PolarHBondContact N-NE2 3.38Å |
| 4 | P | 96.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 74.2 Ų | 74.2 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61 | 135.9 | 175.1 | 24.4 | -36.1 | 0 | 0 | 0 | 112.1 | R6 F8 G15 M48 | P4-R6 VanDerWaalsContact C-N 3.26Å; P4-R6 PolarHBondContact O-N 3.13Å; P4-F8 HydrophobicContact CB-CE1 3.68Å; P4-F8 HydrophobicContact CB-CZ 3.64Å; P4-F8 HydrophobicContact CG-CE1 4.3Å; P4-F8 HydrophobicContact CG-CE2 4.28Å; P4-F8 HydrophobicContact CG-CZ 3.83Å; P4-G15 PolarHBondContact O-N 3.3Å; P4-M48 HydrophobicContact CG-SD 4.14Å |
| 5 | V | 96.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 70.7 Ų | 70.7 | 65% | 0.648 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -57.7 | -40.5 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | I3 V14 G15 | I3-V5 PolarHBondContact O-N 3.12Å; V5-V14 PolarHBondContact O-N 3.21Å; V5-G15 PolarHBondContact O-N 3.41Å |
| 6 | R | 97.1 | Very high | 95.8 | Very high | 143 Ų | 143 | 73.7 Ų | 73.7 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -127.4 | 152 | 179.2 | -67.9 | 178.4 | 179.3 | -102.4 | 4.8 | 110.7 | P4 F8 G11 K12 I13 | P4-R6 VanDerWaalsContact C-N 3.26Å; P4-R6 PolarHBondContact O-N 3.13Å; R6-F8 PolarHBondContact O-N 3.14Å; R6-G11 WeakPolarHBondContact CD-O 3.42Å; R6-G11 PolarHBondContact NH1-O 3.17Å; R6-K12 CarbonylContact C-O 3.51Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.38Å; R6-I13 HydrophobicContact CG-CG1 4.45Å |
| 7 | C | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | trans | -65.6 | 132.5 | 171.9 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | T9 C10 G11 K12 V14 C44 C45 M48 | C7-T9 PolarHBondContact O-N 3.39Å; C7-T9 VanDerWaalsContact O-N 3.12Å; C7-T9 PolarHBondContact SG-N 3.46Å; C7-T9 VanDerWaalsContact SG-N 3.39Å; C7-C10 WeakPolarHBondContact CB-SG 3.46Å; C7-C10 PolarHBondContact SG-N 2.95Å; C7-C10 PolarHBondContact SG-SG 3.05Å; C7-G11 WeakPolarHBondContact O-CA 3.45Å; C7-G11 PolarHBondContact O-N 3.5Å; C7-K12 PolarHBondContact N-O 2.93Å; C7-V14 HydrophobicContact CB-CG2 3.89Å; C7-C44 VanDerWaalsContact SG-C 3.59Å; C7-C44 PolarHBondContact SG-O 3.28Å; C7-C45 HydrophobicContact CB-CB 4.15Å; C7-M48 HydrophobicContact CB-CG 3.88Å | ||
| 8 | F | 97.4 | Very high | 95.9 | Very high | 155 Ų | 155 | 69.5 Ų | 69.5 | 68% | 0.68 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.8 | -178.5 | -57.2 | -42.3 | 0 | 0 | 0 | 115 | P4 R6 M48 | P4-F8 HydrophobicContact CB-CE1 3.68Å; P4-F8 HydrophobicContact CB-CZ 3.64Å; P4-F8 HydrophobicContact CG-CE1 4.3Å; P4-F8 HydrophobicContact CG-CE2 4.28Å; P4-F8 HydrophobicContact CG-CZ 3.83Å; R6-F8 PolarHBondContact O-N 3.14Å; F8-M48 HydrophobicContact CB-SD 4.41Å; F8-M48 HydrophobicContact CD2-CE 3.65Å; F8-M48 HydrophobicContact CD2-SD 3.47Å; F8-M48 WeakPolarHBondContact CD2-SD 3.28Å; F8-M48 HydrophobicContact CE2-CE 4.11Å; F8-M48 HydrophobicContact CE2-SD 3.83Å; F8-M48 HydrophobicContact CG-SD 3.96Å |
| 9 | T | 97.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 74.6 Ų | 74.6 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -49.8 | -178.8 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | C7 C44 R47 | C7-T9 PolarHBondContact O-N 3.39Å; C7-T9 VanDerWaalsContact O-N 3.12Å; C7-T9 PolarHBondContact SG-N 3.46Å; C7-T9 VanDerWaalsContact SG-N 3.39Å; T9-C44 HydrophobicContact CG2-CB 4.05Å; T9-R47 PolarHBondContact OG1-NH2 3.15Å |
| 10 | C | 97.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -13.1 | -170.4 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | C7 K12 C45 | C7-C10 WeakPolarHBondContact CB-SG 3.46Å; C7-C10 PolarHBondContact SG-N 2.95Å; C7-C10 PolarHBondContact SG-SG 3.05Å; C10-K12 PolarHBondContact O-N 3.22Å; C10-K12 WeakPolarHBondContact SG-CB 3.29Å; C10-C45 WeakPolarHBondContact CB-SG 3.43Å; C10-C45 WeakPolarHBondContact SG-CB 3.38Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 3.49Å |
| 11 | G | 96.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | trans | 67.2 | -2.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R6 C7 | R6-G11 WeakPolarHBondContact CD-O 3.42Å; R6-G11 PolarHBondContact NH1-O 3.17Å; C7-G11 WeakPolarHBondContact O-CA 3.45Å; C7-G11 PolarHBondContact O-N 3.5Å | ||
| 12 | K | 96.2 | Very high | 96.3 | Very high | 92 Ų | 92 | 67.6 Ų | 67.6 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | trans | -60 | 142.5 | 175.2 | -168.9 | 176.8 | -177.5 | 176.1 | 0 | 109.6 | R6 C7 C10 V14 G39 | R6-K12 CarbonylContact C-O 3.51Å; R6-K12 VanDerWaalsContact CA-O 3.28Å; R6-K12 WeakPolarHBondContact CA-O 3.38Å; C7-K12 PolarHBondContact N-O 2.93Å; C10-K12 PolarHBondContact O-N 3.22Å; C10-K12 WeakPolarHBondContact SG-CB 3.29Å; K12-V14 PolarHBondContact O-N 2.68Å; K12-G39 PolarHBondContact NZ-O 2.98Å | ||
| 13 | I | 96.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 127.7 | 175.2 | -55.3 | 171.3 | 0 | 0 | 0 | 108.8 | R6 N16 | R6-I13 HydrophobicContact CG-CG1 4.45Å; I13-N16 WeakPolarHBondContact CG2-OD1 3.4Å |
| 14 | V | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -126.7 | -31.7 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | I3 V5 C7 K12 N16 K17 C45 M48 L49 | I3-V14 HydrophobicContact CD1-CG1 4.14Å; V5-V14 PolarHBondContact O-N 3.21Å; C7-V14 HydrophobicContact CB-CG2 3.89Å; K12-V14 PolarHBondContact O-N 2.68Å; V14-N16 PolarHBondContact O-N 3.27Å; V14-N16 VanDerWaalsContact O-N 3.12Å; V14-K17 WeakPolarHBondContact O-CB 3.21Å; V14-K17 PolarHBondContact O-N 3.44Å; V14-C45 HydrophobicContact CG2-CB 4.41Å; V14-M48 HydrophobicContact CG1-CB 4.01Å; V14-L49 HydrophobicContact CG1-CD1 3.48Å; V14-L49 VanDerWaalsContact CG1-CD1 3.48Å; V14-L49 HydrophobicContact CG1-CG 4.13Å | ||
| 15 | G | 95.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P4 V5 K17 | P4-G15 PolarHBondContact O-N 3.3Å; V5-G15 PolarHBondContact O-N 3.41Å; G15-K17 PolarHBondContact O-N 2.94Å |
| 16 | N | 96.2 | Very high | 96.6 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -74.9 | 0.8 | 176.9 | 73.6 | -50.4 | 0 | 0 | 0 | 114.6 | I13 V14 | I13-N16 WeakPolarHBondContact CG2-OD1 3.4Å; V14-N16 PolarHBondContact O-N 3.27Å; V14-N16 VanDerWaalsContact O-N 3.12Å |
| 17 | K | 96.2 | Very high | 96.6 | Very high | 34 Ų | 34 | 65 Ų | 65 | 15% | 0.148 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -109.8 | -5.4 | -175.1 | -59.5 | -174.8 | 175.2 | -161.9 | 0 | 113.9 | V14 G15 Y21 L38 L40 | V14-K17 WeakPolarHBondContact O-CB 3.21Å; V14-K17 PolarHBondContact O-N 3.44Å; G15-K17 PolarHBondContact O-N 2.94Å; K17-Y21 WeakPolarHBondContact O-CB 3.27Å; K17-Y21 PolarHBondContact O-N 3.02Å; K17-L38 HydrophobicContact CB-CD1 4.48Å; K17-L38 HydrophobicContact CD-CB 4.43Å; K17-L38 PolarHBondContact NZ-O 3.06Å; K17-L40 HydrophobicContact CD-CD1 4.44Å; K17-L40 HydrophobicContact CD-CD2 4.2Å; K17-L40 HydrophobicContact CD-CG 4.36Å |
| 18 | W | 96.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 73.4 Ų | 73.4 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.5 | -49.7 | -174.2 | -180 | -118.7 | 0 | 0 | 0 | 112.9 | I3 A20 Y21 L22 L49 H52 | I3-W18 HydrophobicContact CB-CB 4.4Å; I3-W18 HydrophobicContact CB-CG 4.39Å; I3-W18 HydrophobicContact CD1-CB 3.78Å; I3-W18 HydrophobicContact CD1-CD2 4.09Å; I3-W18 HydrophobicContact CD1-CE3 3.76Å; I3-W18 HydrophobicContact CD1-CG 4.13Å; I3-W18 HydrophobicContact CG2-CB 3.9Å; I3-W18 HydrophobicContact CG2-CG 4.26Å; W18-A20 VanDerWaalsContact C-N 3.34Å; W18-A20 PolarHBondContact O-N 3.45Å; W18-Y21 HydrophobicContact CE3-CD1 4.09Å; W18-Y21 AromaticContact CZ3-CD1 3.81Å; W18-Y21 HydrophobicContact CZ3-CD1 3.81Å; W18-Y21 HydrophobicContact CZ3-CE1 4.14Å; W18-Y21 WeakPolarHBondContact O-CB 3.36Å; W18-Y21 PolarHBondContact O-N 3.07Å; W18-Y21 VanDerWaalsContact O-N 3.15Å; W18-L22 HydrophobicContact CD2-CD1 4.47Å; W18-L22 HydrophobicContact CD2-CG 4.48Å; W18-L22 HydrophobicContact CH2-CD2 4.24Å; W18-L22 HydrophobicContact CZ2-CD1 4.12Å; W18-L22 HydrophobicContact CZ2-CD2 4.01Å; W18-L22 HydrophobicContact CZ2-CG 4.24Å; W18-L22 PolarHBondContact O-N 3.3Å; W18-L49 HydrophobicContact CE3-CD2 4.1Å; W18-L49 HydrophobicContact CE3-CG 4.42Å; W18-L49 HydrophobicContact CZ3-CB 4.45Å; W18-H52 AromaticContact CD2-ND1 3.85Å; W18-H52 AromaticContact CE2-CE1 3.92Å; W18-H52 AromaticContact CE2-ND1 3.49Å; W18-H52 HydrophobicContact CE3-CB 4.49Å; W18-H52 AromaticContact CE3-ND1 3.89Å; W18-H52 HydrophobicContact CH2-CB 4.03Å; W18-H52 AromaticContact CH2-ND1 3.28Å; W18-H52 VanDerWaalsContact CH2-ND1 3.28Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.46Å; W18-H52 AromaticContact CZ2-CE1 3.92Å; W18-H52 AromaticContact CZ2-ND1 3.21Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.12Å; W18-H52 HydrophobicContact CZ3-CB 3.86Å; W18-H52 AromaticContact CZ3-ND1 3.63Å |
| 19 | E | 95.6 | Very high | 96.4 | Very high | 167 Ų | 167 | 72 Ų | 72 | 78% | 0.78 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 179.5 | -65.2 | 176.9 | 179.5 | 0 | 0 | 111.8 | Y21 L22 G23 | E19-Y21 VanDerWaalsContact C-N 3.3Å; E19-Y21 PolarHBondContact O-N 3.21Å; E19-L22 PolarHBondContact O-N 3.06Å; E19-G23 PolarHBondContact O-N 3.44Å |
| 20 | A | 96.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 71.4 Ų | 71.4 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W18 G23 L24 L38 | W18-A20 VanDerWaalsContact C-N 3.34Å; W18-A20 PolarHBondContact O-N 3.45Å; A20-G23 PolarHBondContact O-N 3.3Å; A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 2.86Å; A20-L38 HydrophobicContact CB-CD2 3.73Å |
| 21 | Y | 96.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 74.5 Ų | 74.5 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 174 | 178 | -110.8 | 0 | 0 | 0 | 111.8 | K17 W18 E19 G23 L24 L25 E31 A34 L35 L38 L49 | K17-Y21 WeakPolarHBondContact O-CB 3.27Å; K17-Y21 PolarHBondContact O-N 3.02Å; W18-Y21 HydrophobicContact CE3-CD1 4.09Å; W18-Y21 AromaticContact CZ3-CD1 3.81Å; W18-Y21 HydrophobicContact CZ3-CD1 3.81Å; W18-Y21 HydrophobicContact CZ3-CE1 4.14Å; W18-Y21 WeakPolarHBondContact O-CB 3.36Å; W18-Y21 PolarHBondContact O-N 3.07Å; W18-Y21 VanDerWaalsContact O-N 3.15Å; E19-Y21 VanDerWaalsContact C-N 3.3Å; E19-Y21 PolarHBondContact O-N 3.21Å; Y21-G23 VanDerWaalsContact C-N 3.33Å; Y21-G23 PolarHBondContact O-N 3.44Å; Y21-L24 PolarHBondContact O-N 3.49Å; Y21-L25 HydrophobicContact CD1-CD1 4.09Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.28Å; Y21-L25 HydrophobicContact CE2-CD1 4.35Å; Y21-L25 HydrophobicContact CE2-CD2 4.31Å; Y21-L25 HydrophobicContact CE2-CG 4.33Å; Y21-L25 WeakPolarHBondContact O-CG 3.41Å; Y21-L25 PolarHBondContact O-N 2.82Å; Y21-E31 WeakPolarHBondContact OH-CG 3.21Å; Y21-A34 HydrophobicContact CD2-CB 3.9Å; Y21-A34 HydrophobicContact CE2-CB 3.9Å; Y21-L35 HydrophobicContact CD2-CD2 4.26Å; Y21-L35 HydrophobicContact CE2-CD2 4.05Å; Y21-L35 HydrophobicContact CE2-CG 4.07Å; Y21-L38 HydrophobicContact CD2-CD1 4.01Å; Y21-L38 HydrophobicContact CG-CD1 4.31Å; Y21-L49 VanDerWaalsContact CB-CD2 3.46Å; Y21-L49 HydrophobicContact CD1-CB 4.36Å; Y21-L49 HydrophobicContact CD1-CD2 3.95Å; Y21-L49 HydrophobicContact CD2-CD2 4.19Å; Y21-L49 HydrophobicContact CE1-CB 4.43Å; Y21-L49 HydrophobicContact CG-CD2 3.6Å |
| 22 | L | 95.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 176.3 | -67.7 | 175.6 | 0 | 0 | 0 | 112 | W18 E19 L24 L25 Q26 | W18-L22 HydrophobicContact CD2-CD1 4.47Å; W18-L22 HydrophobicContact CD2-CG 4.48Å; W18-L22 HydrophobicContact CH2-CD2 4.24Å; W18-L22 HydrophobicContact CZ2-CD1 4.12Å; W18-L22 HydrophobicContact CZ2-CD2 4.01Å; W18-L22 HydrophobicContact CZ2-CG 4.24Å; W18-L22 PolarHBondContact O-N 3.3Å; E19-L22 PolarHBondContact O-N 3.06Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 2.95Å; L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 3.28Å |
| 23 | G | 97.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 74.4 Ų | 74.4 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E19 A20 Y21 Q26 A27 | E19-G23 PolarHBondContact O-N 3.44Å; A20-G23 PolarHBondContact O-N 3.3Å; Y21-G23 VanDerWaalsContact C-N 3.33Å; Y21-G23 PolarHBondContact O-N 3.44Å; G23-Q26 PolarHBondContact O-N 3.06Å; G23-A27 PolarHBondContact O-N 3.19Å; G23-A27 VanDerWaalsContact O-N 3.14Å |
| 24 | L | 96.9 | Very high | 96.2 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 175.1 | -70.1 | 166.9 | 0 | 0 | 0 | 111.9 | A20 Y21 L22 Q26 A27 Y29 A34 A37 L38 | A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 2.86Å; Y21-L24 PolarHBondContact O-N 3.49Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 2.92Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 3.47Å; L24-A27 CarbonylContact O-C 3.55Å; L24-A27 PolarHBondContact O-N 3.41Å; L24-A27 VanDerWaalsContact O-N 3.12Å; L24-Y29 HydrophobicContact CD2-CD2 4.35Å; L24-Y29 HydrophobicContact CD2-CE2 4.44Å; L24-Y29 HydrophobicContact CD2-CG 4.43Å; L24-Y29 WeakPolarHBondContact O-CB 3.42Å; L24-Y29 PolarHBondContact O-N 3.17Å; L24-Y29 VanDerWaalsContact O-N 3.17Å; L24-A34 HydrophobicContact CB-CB 3.84Å; L24-A34 HydrophobicContact CD1-CB 4.08Å; L24-A37 HydrophobicContact CD1-CB 4.19Å; L24-L38 HydrophobicContact CD1-CD1 4.35Å; L24-L38 HydrophobicContact CD1-CD2 4.17Å; L24-L38 HydrophobicContact CD1-CG 3.96Å |
| 25 | L | 96 | Very high | 96.2 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 175.2 | -65.4 | -178.7 | 0 | 0 | 0 | 112.2 | Y21 L22 A27 E28 E31 A34 | Y21-L25 HydrophobicContact CD1-CD1 4.09Å; Y21-L25 HydrophobicContact CE1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CG 4.28Å; Y21-L25 HydrophobicContact CE2-CD1 4.35Å; Y21-L25 HydrophobicContact CE2-CD2 4.31Å; Y21-L25 HydrophobicContact CE2-CG 4.33Å; Y21-L25 WeakPolarHBondContact O-CG 3.41Å; Y21-L25 PolarHBondContact O-N 2.82Å; L22-L25 PolarHBondContact O-N 2.95Å; L25-A27 PolarHBondContact O-N 3.17Å; L25-E28 PolarHBondContact O-N 3.42Å; L25-E28 VanDerWaalsContact O-N 3.13Å; L25-E31 HydrophobicContact CD2-CG 4Å; L25-A34 HydrophobicContact CD2-CB 4.5Å |
| 26 | Q | 96.6 | Very high | 96.2 | Very high | 168 Ų | 168 | 73.6 Ų | 73.6 | 79% | 0.785 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.9 | -27.7 | 173.1 | -73.7 | 175.9 | 2.7 | 0 | 0 | 112.6 | L22 G23 L24 E28 | L22-Q26 WeakPolarHBondContact O-CG 3.39Å; L22-Q26 PolarHBondContact O-N 3.28Å; G23-Q26 PolarHBondContact O-N 3.06Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 3.47Å; Q26-E28 PolarHBondContact O-N 3.15Å |
| 27 | A | 96.1 | Very high | 96.2 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 51% | 0.512 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 17.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G23 L24 L25 Y29 | G23-A27 PolarHBondContact O-N 3.19Å; G23-A27 VanDerWaalsContact O-N 3.14Å; L24-A27 CarbonylContact O-C 3.55Å; L24-A27 PolarHBondContact O-N 3.41Å; L24-A27 VanDerWaalsContact O-N 3.12Å; L25-A27 PolarHBondContact O-N 3.17Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 4.01Å; A27-Y29 HydrophobicContact CB-CE2 4.24Å; A27-Y29 PolarHBondContact O-N 2.63Å |
| 28 | E | 95.1 | Very high | 96.2 | Very high | 182 Ų | 182 | 71 Ų | 71 | 85% | 0.85 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 25.8 | 178.8 | -55.6 | -164 | 141 | 0 | 0 | 115.4 | L25 Q26 | L25-E28 PolarHBondContact O-N 3.42Å; L25-E28 VanDerWaalsContact O-N 3.13Å; Q26-E28 PolarHBondContact O-N 3.15Å |
| 29 | Y | 95.4 | Very high | 96.2 | Very high | 124 Ų | 124 | 70.7 Ų | 70.7 | 49% | 0.486 | 40% | 0.399 | S | S | . | . | trans | -72.4 | 145.8 | 167.7 | -78.4 | -112.9 | 0 | 0 | 0 | 110.7 | L24 A27 D33 | L24-Y29 HydrophobicContact CD2-CD2 4.35Å; L24-Y29 HydrophobicContact CD2-CE2 4.44Å; L24-Y29 HydrophobicContact CD2-CG 4.43Å; L24-Y29 WeakPolarHBondContact O-CB 3.42Å; L24-Y29 PolarHBondContact O-N 3.17Å; L24-Y29 VanDerWaalsContact O-N 3.17Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 HydrophobicContact CB-CD2 4.01Å; A27-Y29 HydrophobicContact CB-CE2 4.24Å; A27-Y29 PolarHBondContact O-N 2.63Å; Y29-D33 HydrophobicContact CD1-CB 4.13Å | ||
| 30 | T | 96.6 | Very high | 96.1 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | trans | -66.3 | 153 | 167.9 | 75.1 | 0 | 0 | 0 | 0 | 110.3 | G32 D33 A34 | T30-G32 PolarHBondContact O-N 2.98Å; T30-D33 PolarHBondContact O-N 3.39Å; T30-D33 WeakPolarHBondContact OG1-CB 3.11Å; T30-D33 PolarHBondContact OG1-N 2.95Å; T30-D33 VanDerWaalsContact OG1-N 3.17Å; T30-D33 PolarHBondContact OG1-OD2 3.42Å; T30-A34 WeakPolarHBondContact O-CB 3.49Å; T30-A34 PolarHBondContact O-N 2.69Å | ||
| 31 | E | 95.3 | Very high | 96 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -34.3 | 179.5 | -58.3 | 90.2 | 158.1 | 0 | 0 | 111.4 | Y21 L25 L35 L50 | Y21-E31 WeakPolarHBondContact OH-CG 3.21Å; L25-E31 HydrophobicContact CD2-CG 4Å; E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.26Å; E31-L35 WeakPolarHBondContact O-CG 3.36Å; E31-L35 PolarHBondContact O-N 3.46Å; E31-L35 VanDerWaalsContact O-N 3.17Å; E31-L50 HydrophobicContact CB-CD2 3.92Å; E31-L50 HydrophobicContact CG-CD2 4.49Å |
| 32 | G | 95.6 | Very high | 96 | Very high | 32 Ų | 32 | 77 Ų | 77 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -55.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T30 A34 L35 D36 | T30-G32 PolarHBondContact O-N 2.98Å; G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.14Å; G32-L35 PolarHBondContact O-N 2.73Å; G32-D36 PolarHBondContact O-N 3.05Å; G32-D36 VanDerWaalsContact O-OD2 3.09Å |
| 33 | D | 96.2 | Very high | 96 | Very high | 90 Ų | 90 | 82.9 Ų | 82.9 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | -177.5 | -62.5 | -37.5 | 0 | 0 | 0 | 111.7 | Y29 T30 L35 D36 A37 | Y29-D33 HydrophobicContact CD1-CB 4.13Å; T30-D33 PolarHBondContact O-N 3.39Å; T30-D33 WeakPolarHBondContact OG1-CB 3.11Å; T30-D33 PolarHBondContact OG1-N 2.95Å; T30-D33 VanDerWaalsContact OG1-N 3.17Å; T30-D33 PolarHBondContact OG1-OD2 3.42Å; D33-L35 PolarHBondContact O-N 3.08Å; D33-D36 PolarHBondContact O-N 3.14Å; D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 3.07Å |
| 34 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y21 L24 L25 T30 G32 D36 A37 L38 | Y21-A34 HydrophobicContact CD2-CB 3.9Å; Y21-A34 HydrophobicContact CE2-CB 3.9Å; L24-A34 HydrophobicContact CB-CB 3.84Å; L24-A34 HydrophobicContact CD1-CB 4.08Å; L25-A34 HydrophobicContact CD2-CB 4.5Å; T30-A34 WeakPolarHBondContact O-CB 3.49Å; T30-A34 PolarHBondContact O-N 2.69Å; G32-A34 VanDerWaalsContact C-N 3.31Å; G32-A34 PolarHBondContact O-N 3.14Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.29Å; A34-A37 PolarHBondContact O-N 3.1Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.38Å |
| 35 | L | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.2 | -34 | 177.7 | -67.6 | 165.6 | 0 | 0 | 0 | 112.5 | Y21 E31 G32 D33 G39 L40 R46 L49 L50 | Y21-L35 HydrophobicContact CD2-CD2 4.26Å; Y21-L35 HydrophobicContact CE2-CD2 4.05Å; Y21-L35 HydrophobicContact CE2-CG 4.07Å; E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.26Å; E31-L35 WeakPolarHBondContact O-CG 3.36Å; E31-L35 PolarHBondContact O-N 3.46Å; E31-L35 VanDerWaalsContact O-N 3.17Å; G32-L35 PolarHBondContact O-N 2.73Å; D33-L35 PolarHBondContact O-N 3.08Å; L35-G39 PolarHBondContact O-N 3.42Å; L35-L40 HydrophobicContact CD2-CD1 3.8Å; L35-L40 WeakPolarHBondContact O-CB 3.42Å; L35-L40 PolarHBondContact O-N 3.26Å; L35-R46 HydrophobicContact CB-CG 4.29Å; L35-R46 HydrophobicContact CD1-CB 4.13Å; L35-R46 HydrophobicContact CD1-CG 4.11Å; L35-L49 HydrophobicContact CD2-CB 4.08Å; L35-L49 HydrophobicContact CD2-CD1 4.1Å; L35-L50 HydrophobicContact CD1-CD1 3.76Å; L35-L50 HydrophobicContact CD1-CD2 3.79Å; L35-L50 HydrophobicContact CD1-CG 3.67Å |
| 36 | D | 96.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 174.5 | -83.8 | -60.6 | 0 | 0 | 0 | 111.9 | G32 D33 A34 L38 G39 R46 | G32-D36 PolarHBondContact O-N 3.05Å; G32-D36 VanDerWaalsContact O-OD2 3.09Å; D33-D36 PolarHBondContact O-N 3.14Å; A34-D36 VanDerWaalsContact C-N 3.33Å; A34-D36 PolarHBondContact O-N 3.29Å; D36-L38 PolarHBondContact O-N 2.88Å; D36-G39 PolarHBondContact O-N 3.19Å; D36-R46 IonicContact OD1-CZ 3.71Å; D36-R46 IonicContact OD1-NH1 3.94Å; D36-R46 IonicContact OD1-NH2 2.63Å; D36-R46 PolarHBondContact OD1-NH2 2.97Å; D36-R46 IonicContact OD2-CZ 3.34Å; D36-R46 IonicContact OD2-NH1 2.82Å; D36-R46 PolarHBondContact OD2-NH1 3.12Å; D36-R46 IonicContact OD2-NH2 2.95Å; D36-R46 PolarHBondContact OD2-NH2 3.09Å |
| 37 | A | 96.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 77.1 Ų | 77.1 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 D33 A34 G39 | L24-A37 HydrophobicContact CD1-CB 4.19Å; D33-A37 WeakPolarHBondContact O-CB 3.41Å; D33-A37 PolarHBondContact O-N 3.07Å; A34-A37 PolarHBondContact O-N 3.1Å; A37-G39 PolarHBondContact O-N 3.48Å |
| 38 | L | 95.2 | Very high | 96.1 | Very high | 28 Ų | 28 | 75 Ų | 75 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0 | 175.4 | -66.1 | 171.6 | 0 | 0 | 0 | 113.9 | K17 A20 Y21 L24 A34 D36 L40 L49 | K17-L38 HydrophobicContact CB-CD1 4.48Å; K17-L38 HydrophobicContact CD-CB 4.43Å; K17-L38 PolarHBondContact NZ-O 3.06Å; A20-L38 HydrophobicContact CB-CD2 3.73Å; Y21-L38 HydrophobicContact CD2-CD1 4.01Å; Y21-L38 HydrophobicContact CG-CD1 4.31Å; L24-L38 HydrophobicContact CD1-CD1 4.35Å; L24-L38 HydrophobicContact CD1-CD2 4.17Å; L24-L38 HydrophobicContact CD1-CG 3.96Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.38Å; D36-L38 PolarHBondContact O-N 2.88Å; L38-L40 HydrophobicContact CB-CD1 4.41Å; L38-L40 HydrophobicContact CB-CG 4.44Å; L38-L40 PolarHBondContact O-N 3.19Å; L38-L49 HydrophobicContact CD1-CD2 4.44Å |
| 39 | G | 95.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 30.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K12 L35 D36 A37 K41 | K12-G39 PolarHBondContact NZ-O 2.98Å; L35-G39 PolarHBondContact O-N 3.42Å; D36-G39 PolarHBondContact O-N 3.19Å; A37-G39 PolarHBondContact O-N 3.48Å; G39-K41 PolarHBondContact O-N 3.19Å |
| 40 | L | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -93.2 | 84.8 | 176.4 | -65.6 | 171.9 | 0 | 0 | 0 | 110.4 | K17 L35 L38 C45 R46 L49 | K17-L40 HydrophobicContact CD-CD1 4.44Å; K17-L40 HydrophobicContact CD-CD2 4.2Å; K17-L40 HydrophobicContact CD-CG 4.36Å; L35-L40 HydrophobicContact CD2-CD1 3.8Å; L35-L40 WeakPolarHBondContact O-CB 3.42Å; L35-L40 PolarHBondContact O-N 3.26Å; L38-L40 HydrophobicContact CB-CD1 4.41Å; L38-L40 HydrophobicContact CB-CG 4.44Å; L38-L40 PolarHBondContact O-N 3.19Å; L40-C45 HydrophobicContact CD2-CB 4.17Å; L40-R46 HydrophobicContact CB-CG 4.03Å; L40-R46 WeakPolarHBondContact O-CG 3.49Å; L40-R46 VanDerWaalsContact O-CZ 3.27Å; L40-R46 PolarHBondContact O-NE 3.25Å; L40-R46 PolarHBondContact O-NH2 3.45Å; L40-R46 VanDerWaalsContact O-NH2 3.08Å; L40-L49 HydrophobicContact CD1-CD1 3.22Å | ||
| 41 | K | 93.9 | Very high | 96.1 | Very high | 184 Ų | 184 | 65.4 Ų | 65.4 | 80% | 0.8 | 33% | 0.334 | S | S | * | . | trans | -76.7 | -35.2 | -177.3 | -57.5 | -169.9 | 178.1 | -172.5 | 0 | 114.5 | G39 | G39-K41 PolarHBondContact O-N 3.19Š| ||
| 42 | R | 96.3 | Very high | 96.1 | Very high | 178 Ų | 178 | 61.6 Ų | 61.6 | 67% | 0.672 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -86.4 | 132.5 | -175.5 | -61.6 | -174.8 | -175.8 | -142.1 | 1.9 | 111 | C44 C45 R46 | R42-C44 PolarHBondContact O-N 2.98Å; R42-C44 VanDerWaalsContact O-N 3.14Å; R42-C45 PolarHBondContact O-N 3.49Å; R42-R46 PolarHBondContact O-N 3.14Å; R42-R46 VanDerWaalsContact O-N 3.11Å |
| 43 | Y | 96.9 | Very high | 96 | Very high | 192 Ų | 192 | 64.7 Ų | 64.7 | 75% | 0.753 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -52.7 | -37.6 | 178 | 69.1 | -95.2 | 0 | 0 | 0 | 112.7 | C45 R46 R47 | Y43-C45 VanDerWaalsContact C-N 3.3Å; Y43-C45 PolarHBondContact O-N 3.04Å; Y43-R46 PolarHBondContact O-N 3.03Å; Y43-R46 VanDerWaalsContact O-N 3.15Å; Y43-R47 PolarHBondContact O-N 2.97Å |
| 44 | C | 97.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -32.2 | -177.6 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | C7 T9 R42 R47 | C7-C44 VanDerWaalsContact SG-C 3.59Å; C7-C44 PolarHBondContact SG-O 3.28Å; T9-C44 HydrophobicContact CG2-CB 4.05Å; R42-C44 PolarHBondContact O-N 2.98Å; R42-C44 VanDerWaalsContact O-N 3.14Å; C44-R47 WeakPolarHBondContact O-CG 3.11Å |
| 45 | C | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -85.9 | -26 | 175.9 | -29.8 | 0 | 0 | 0 | 0 | 110.6 | C7 C10 V14 L40 R42 Y43 M48 | C7-C45 HydrophobicContact CB-CB 4.15Å; C10-C45 WeakPolarHBondContact CB-SG 3.43Å; C10-C45 WeakPolarHBondContact SG-CB 3.38Å; C10-C45 CovalentContact SG-SG 2.1Å; C10-C45 PolarHBondContact SG-SG 3.49Å; V14-C45 HydrophobicContact CG2-CB 4.41Å; L40-C45 HydrophobicContact CD2-CB 4.17Å; R42-C45 PolarHBondContact O-N 3.49Å; Y43-C45 VanDerWaalsContact C-N 3.3Å; Y43-C45 PolarHBondContact O-N 3.04Å; C45-M48 WeakPolarHBondContact O-CB 3.21Å |
| 46 | R | 97.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 18% | 0.177 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 172.3 | -72.2 | -169.9 | -174.9 | -135.7 | 0 | 113.4 | L35 D36 L40 R42 Y43 M48 L49 L50 | L35-R46 HydrophobicContact CB-CG 4.29Å; L35-R46 HydrophobicContact CD1-CB 4.13Å; L35-R46 HydrophobicContact CD1-CG 4.11Å; D36-R46 IonicContact OD1-CZ 3.71Å; D36-R46 IonicContact OD1-NH1 3.94Å; D36-R46 IonicContact OD1-NH2 2.63Å; D36-R46 PolarHBondContact OD1-NH2 2.97Å; D36-R46 IonicContact OD2-CZ 3.34Å; D36-R46 IonicContact OD2-NH1 2.82Å; D36-R46 PolarHBondContact OD2-NH1 3.12Å; D36-R46 IonicContact OD2-NH2 2.95Å; D36-R46 PolarHBondContact OD2-NH2 3.09Å; L40-R46 HydrophobicContact CB-CG 4.03Å; L40-R46 WeakPolarHBondContact O-CG 3.49Å; L40-R46 VanDerWaalsContact O-CZ 3.27Å; L40-R46 PolarHBondContact O-NE 3.25Å; L40-R46 PolarHBondContact O-NH2 3.45Å; L40-R46 VanDerWaalsContact O-NH2 3.08Å; R42-R46 PolarHBondContact O-N 3.14Å; R42-R46 VanDerWaalsContact O-N 3.11Å; Y43-R46 PolarHBondContact O-N 3.03Å; Y43-R46 VanDerWaalsContact O-N 3.15Å; R46-M48 PolarHBondContact O-N 3.11Å; R46-L49 PolarHBondContact O-N 3.34Å; R46-L50 HydrophobicContact CB-CD1 4.31Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.14Å |
| 47 | R | 97.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 70.8 Ų | 70.8 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.4 | -23.6 | 179 | 64.6 | 162.3 | -173 | 164.1 | 4.5 | 113.6 | T9 Y43 C44 L49 A51 | T9-R47 PolarHBondContact OG1-NH2 3.15Å; Y43-R47 PolarHBondContact O-N 2.97Å; C44-R47 WeakPolarHBondContact O-CG 3.11Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.05Å; R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.41Å; R47-A51 VanDerWaalsContact O-N 3.14Å |
| 48 | M | 96.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 74.5 Ų | 74.5 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69 | -26.9 | 178.9 | -61.6 | -70.5 | 90.5 | 0 | 0 | 113.1 | P4 C7 F8 V14 C45 R46 H52 | P4-M48 HydrophobicContact CG-SD 4.14Å; C7-M48 HydrophobicContact CB-CG 3.88Å; F8-M48 HydrophobicContact CB-SD 4.41Å; F8-M48 HydrophobicContact CD2-CE 3.65Å; F8-M48 HydrophobicContact CD2-SD 3.47Å; F8-M48 WeakPolarHBondContact CD2-SD 3.28Å; F8-M48 HydrophobicContact CE2-CE 4.11Å; F8-M48 HydrophobicContact CE2-SD 3.83Å; F8-M48 HydrophobicContact CG-SD 3.96Å; V14-M48 HydrophobicContact CG1-CB 4.01Å; C45-M48 WeakPolarHBondContact O-CB 3.21Å; R46-M48 PolarHBondContact O-N 3.11Å; M48-H52 WeakPolarHBondContact O-CB 3.32Å |
| 49 | L | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -94.4 | -44 | 171.7 | -69 | 100.6 | 0 | 0 | 0 | 111.5 | I3 V14 W18 Y21 L35 L38 L40 R46 R47 A51 H52 | I3-L49 HydrophobicContact CD1-CD2 4.48Å; I3-L49 HydrophobicContact CD1-CG 4.04Å; V14-L49 HydrophobicContact CG1-CD1 3.48Å; V14-L49 VanDerWaalsContact CG1-CD1 3.48Å; V14-L49 HydrophobicContact CG1-CG 4.13Å; W18-L49 HydrophobicContact CE3-CD2 4.1Å; W18-L49 HydrophobicContact CE3-CG 4.42Å; W18-L49 HydrophobicContact CZ3-CB 4.45Å; Y21-L49 VanDerWaalsContact CB-CD2 3.46Å; Y21-L49 HydrophobicContact CD1-CB 4.36Å; Y21-L49 HydrophobicContact CD1-CD2 3.95Å; Y21-L49 HydrophobicContact CD2-CD2 4.19Å; Y21-L49 HydrophobicContact CE1-CB 4.43Å; Y21-L49 HydrophobicContact CG-CD2 3.6Å; L35-L49 HydrophobicContact CD2-CB 4.08Å; L35-L49 HydrophobicContact CD2-CD1 4.1Å; L38-L49 HydrophobicContact CD1-CD2 4.44Å; L40-L49 HydrophobicContact CD1-CD1 3.22Å; R46-L49 PolarHBondContact O-N 3.34Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.05Å; L49-A51 VanDerWaalsContact C-N 3.3Å; L49-A51 PolarHBondContact O-N 3.14Å; L49-H52 WeakPolarHBondContact O-CB 3.47Å; L49-H52 PolarHBondContact O-N 3.01Å; L49-H52 VanDerWaalsContact O-N 3.14Å |
| 50 | L | 95.6 | Very high | 94.8 | Very high | 94 Ų | 94 | 82 Ų | 82 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | -176.6 | -74.4 | 168.5 | 0 | 0 | 0 | 113.3 | E31 L35 R46 | E31-L50 HydrophobicContact CB-CD2 3.92Å; E31-L50 HydrophobicContact CG-CD2 4.49Å; L35-L50 HydrophobicContact CD1-CD1 3.76Å; L35-L50 HydrophobicContact CD1-CD2 3.79Å; L35-L50 HydrophobicContact CD1-CG 3.67Å; R46-L50 HydrophobicContact CB-CD1 4.31Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.14Å |
| 51 | A | 94.9 | Very high | 94.7 | Very high | 80 Ų | 80 | 88.2 Ų | 88.2 | 66% | 0.661 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 9.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R47 L49 V53 | R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.41Å; R47-A51 VanDerWaalsContact O-N 3.14Å; L49-A51 VanDerWaalsContact C-N 3.3Å; L49-A51 PolarHBondContact O-N 3.14Å; A51-V53 PolarHBondContact O-N 3.29Å |
| 52 | H | 95.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 88 Ų | 88 | 14% | 0.139 | 42% | 0.419 | C | S | . | . | trans | -75.3 | 127.4 | 178.7 | -178.2 | -107.2 | 0 | 0 | 0 | 110.4 | M1 I3 W18 M48 L49 | M1-H52 PolarHBondContact O-NE2 3.34Å; I3-H52 WeakPolarHBondContact CA-NE2 3.38Å; I3-H52 PolarHBondContact N-NE2 3.38Å; W18-H52 AromaticContact CD2-ND1 3.85Å; W18-H52 AromaticContact CE2-CE1 3.92Å; W18-H52 AromaticContact CE2-ND1 3.49Å; W18-H52 HydrophobicContact CE3-CB 4.49Å; W18-H52 AromaticContact CE3-ND1 3.89Å; W18-H52 HydrophobicContact CH2-CB 4.03Å; W18-H52 AromaticContact CH2-ND1 3.28Å; W18-H52 VanDerWaalsContact CH2-ND1 3.28Å; W18-H52 WeakPolarHBondContact CH2-ND1 3.46Å; W18-H52 AromaticContact CZ2-CE1 3.92Å; W18-H52 AromaticContact CZ2-ND1 3.21Å; W18-H52 WeakPolarHBondContact CZ2-ND1 3.12Å; W18-H52 HydrophobicContact CZ3-CB 3.86Å; W18-H52 AromaticContact CZ3-ND1 3.63Å; M48-H52 WeakPolarHBondContact O-CB 3.32Å; L49-H52 WeakPolarHBondContact O-CB 3.47Å; L49-H52 PolarHBondContact O-N 3.01Å; L49-H52 VanDerWaalsContact O-N 3.14Å | ||
| 53 | V | 94.1 | Very high | 94.4 | Very high | 97 Ų | 97 | 83.9 Ų | 83.9 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | trans | -115.6 | 113 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | M1 A51 L55 | M1-V53 PolarHBondContact N-O 3.04Å; A51-V53 PolarHBondContact O-N 3.29Å; V53-L55 HydrophobicContact CG1-CD2 3.85Å; V53-L55 HydrophobicContact CG1-CG 4.19Å; V53-L55 PolarHBondContact O-N 3.43Å | ||
| 54 | D | 92.7 | Very high | 94 | Very high | 43 Ų | 43 | 80.3 Ų | 80.3 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | trans | -76.4 | 112.8 | 174.8 | -157 | -12.3 | 0 | 0 | 0 | 110 | I56 | D54-I56 WeakPolarHBondContact OD1-CB 3.26Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.39Å; D54-I56 PolarHBondContact OD1-N 2.93Å | ||
| 55 | L | 93.8 | Very high | 93.4 | Very high | 72 Ų | 72 | 88.1 Ų | 88.1 | 38% | 0.377 | 46% | 0.464 | S | S | . | . | trans | -105.1 | -5.8 | 178.3 | -62.3 | 173.8 | 0 | 0 | 0 | 111.2 | V53 E57 K58 L59 | V53-L55 HydrophobicContact CG1-CD2 3.85Å; V53-L55 HydrophobicContact CG1-CG 4.19Å; V53-L55 PolarHBondContact O-N 3.43Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 3.48Å; L55-K58 PolarHBondContact O-N 2.1Å; L55-L59 PolarHBondContact O-N 3.31Å | ||
| 56 | I | 93.1 | Very high | 92.7 | Very high | 50 Ų | 50 | 96.9 Ų | 96.9 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | -174.6 | -159.3 | 59.7 | 0 | 0 | 0 | 110.6 | I2 D54 K58 L59 L60 | I2-I56 HydrophobicContact CD1-CG1 4.49Å; I2-I56 HydrophobicContact CG1-CB 4.21Å; I2-I56 HydrophobicContact CG1-CG1 4.14Å; I2-I56 HydrophobicContact CG1-CG2 4.35Å; D54-I56 WeakPolarHBondContact OD1-CB 3.26Å; D54-I56 WeakPolarHBondContact OD1-CG2 3.39Å; D54-I56 PolarHBondContact OD1-N 2.93Å; I56-K58 PolarHBondContact O-N 2.88Å; I56-L59 PolarHBondContact O-N 3Å; I56-L60 HydrophobicContact CG1-CD1 4.24Å; I56-L60 HydrophobicContact CG1-CG 4.21Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.49Å |
| 57 | E | 90.9 | Very high | 91 | Very high | 139 Ų | 139 | 108 Ų | 108 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.3 | -37.2 | 178.5 | -61.8 | -174.5 | 169.9 | 0 | 0 | 112.5 | L55 N61 | L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 3.48Å; E57-N61 PolarHBondContact O-ND2 3.21Å |
| 58 | K | 92.1 | Very high | 90.7 | Very high | 148 Ų | 148 | 107.5 Ų | 107.5 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.7 | -39.9 | 178.1 | -65.5 | -175.9 | -179.6 | -179.8 | 0 | 111.8 | L55 I56 N61 | L55-K58 PolarHBondContact O-N 2.1Å; I56-K58 PolarHBondContact O-N 2.88Å; K58-N61 PolarHBondContact O-N 3.12Å; K58-N61 PolarHBondContact O-ND2 2.93Å; K58-N61 VanDerWaalsContact O-ND2 3.09Å |
| 59 | L | 91.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 112.2 Ų | 112.2 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.3 | -32.3 | -178.6 | -70.7 | 173.2 | 0 | 0 | 0 | 112.8 | L55 I56 N61 Y62 | L55-L59 PolarHBondContact O-N 3.31Å; I56-L59 PolarHBondContact O-N 3Å; L59-N61 PolarHBondContact O-N 2.88Å; L59-N61 VanDerWaalsContact O-N 3.1Å; L59-Y62 PolarHBondContact O-N 3.12Å |
| 60 | L | 92.5 | Very high | 90.1 | Very high | 128 Ų | 128 | 118.3 Ų | 118.3 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -18.3 | 177.5 | -75.1 | 169.3 | 0 | 0 | 0 | 113.5 | I56 Y62 | I56-L60 HydrophobicContact CG1-CD1 4.24Å; I56-L60 HydrophobicContact CG1-CG 4.21Å; I56-L60 VanDerWaalsContact O-CG 3.26Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.49Å; L60-Y62 PolarHBondContact O-N 3.39Å |
| 61 | N | 92.8 | Very high | 89.7 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -10.9 | 175.3 | -58.8 | -54.1 | 0 | 0 | 0 | 113.5 | E57 K58 L59 | E57-N61 PolarHBondContact O-ND2 3.21Å; K58-N61 PolarHBondContact O-N 3.12Å; K58-N61 PolarHBondContact O-ND2 2.93Å; K58-N61 VanDerWaalsContact O-ND2 3.09Å; L59-N61 PolarHBondContact O-N 2.88Å; L59-N61 VanDerWaalsContact O-N 3.1Å |
| 62 | Y | 93.3 | Very high | 89.4 | Confident | 181 Ų | 181 | 122.2 Ų | 122.2 | 71% | 0.71 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -108.1 | 126.5 | -178.4 | -61.9 | -80.9 | 0 | 0 | 0 | 110.5 | L59 L60 | L59-Y62 PolarHBondContact O-N 3.12Å; L60-Y62 PolarHBondContact O-N 3.39Å |
| 63 | A | 90.2 | Very high | 89 | Confident | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 65% | 0.653 | S | S | * | * | trans | -74.6 | 143.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 64 | P | 89.3 | Confident | 88.7 | Confident | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | trans | -62.5 | 139.1 | 170.9 | 26 | -31.8 | 0 | 0 | 0 | 110 | E66 | P64-E66 PolarHBondContact O-N 2.96Š| ||
| 65 | L | 86.1 | Confident | 88.4 | Confident | 173 Ų | 173 | 137.3 Ų | 137.3 | 91% | 0.906 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 114.3 | 167.7 | -83.4 | 156.3 | 0 | 0 | 0 | 108.1 | ||||
| 66 | E | 80.4 | Confident | 87.9 | Confident | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -63.5 | 133 | 168.9 | -64.9 | -175.5 | 161.2 | 0 | 0 | 108.9 | P64 | P64-E66 PolarHBondContact O-N 2.96Š| ||
| 67 | K | 62.3 | Low | 87.4 | Confident | 280 Ų | 280 | 151.2 Ų | 151.2 | 100% | 1.217 | 76% | 0.758 | S | S | * | * | trans | -99 | 0 | 171.7 | -88.3 | -170.4 | 177.3 | -178.1 | 0 | 110 |
Retrieved 67 of 67 residues in 48.4 ms
(Link to these results)