| 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 | 54 | Low | 88.7 | Confident | 242 Ų | 242 | 93.5 Ų | 93.5 | 100% | 1.192 | 46% | 0.463 | S | S | * | . | 0 | 131 | 0 | -87.5 | 179.7 | -98.7 | 0 | 0 | 107.2 | |||||
| 2 | A | 64.4 | Low | 89.5 | Confident | 65 Ų | 65 | 88.5 Ų | 88.5 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | trans | -61.3 | 138.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | E | 85.6 | Confident | 90.2 | Very high | 80 Ų | 80 | 82.3 Ų | 82.3 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | trans | -50 | 135 | 175.7 | -174.6 | 177.5 | 174.9 | 0 | 0 | 110.1 | R5 I6 R7 | E3-R5 HydrophobicContact CG-CB 4.47Å; E3-R5 PolarHBondContact O-N 3.28Å; E3-R5 VanDerWaalsContact O-N 3.1Å; E3-R5 IonicContact OE1-CZ 3.19Å; E3-R5 VanDerWaalsContact OE1-CZ 3.24Å; E3-R5 IonicContact OE1-NE 2.8Å; E3-R5 PolarHBondContact OE1-NE 2.94Å; E3-R5 IonicContact OE1-NH2 3.87Å; E3-R5 PolarHBondContact OE1-NH2 3.03Å; E3-I6 HydrophobicContact CB-CB 4.21Å; E3-I6 HydrophobicContact CB-CG1 3.99Å; E3-I6 PolarHBondContact O-N 3.38Å; E3-I6 VanDerWaalsContact O-N 3.1Å; E3-R7 PolarHBondContact O-N 2.91Å | ||
| 4 | P | 92.8 | Very high | 90.8 | Very high | 107 Ų | 107 | 77.8 Ų | 77.8 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -52.2 | -36.4 | -176.3 | -29.7 | 35.8 | 0 | 0 | 0 | 114.1 | R7 Q8 | P4-R7 WeakPolarHBondContact O-CB 3.45Å; P4-R7 PolarHBondContact O-N 3.14Å; P4-Q8 PolarHBondContact O-N 3.41Å; P4-Q8 VanDerWaalsContact O-N 3.07Å |
| 5 | R | 94.9 | Very high | 91.3 | Very high | 75 Ų | 75 | 76.4 Ų | 76.4 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | 178.4 | -55.9 | -172.1 | -64.1 | 154.8 | -4.9 | 112 | E3 R7 Q8 I9 E85 D87 L88 | E3-R5 HydrophobicContact CG-CB 4.47Å; E3-R5 PolarHBondContact O-N 3.28Å; E3-R5 VanDerWaalsContact O-N 3.1Å; E3-R5 IonicContact OE1-CZ 3.19Å; E3-R5 VanDerWaalsContact OE1-CZ 3.24Å; E3-R5 IonicContact OE1-NE 2.8Å; E3-R5 PolarHBondContact OE1-NE 2.94Å; E3-R5 IonicContact OE1-NH2 3.87Å; E3-R5 PolarHBondContact OE1-NH2 3.03Å; R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 3.4Å; R5-Q8 WeakPolarHBondContact O-CB 3.4Å; R5-Q8 PolarHBondContact O-N 3.23Å; R5-I9 PolarHBondContact O-N 3.46Å; R5-E85 VanDerWaalsContact CD-OE2 3.29Å; R5-E85 WeakPolarHBondContact CD-OE2 3.37Å; R5-E85 IonicContact CZ-OE2 3.24Å; R5-E85 IonicContact NE-OE2 2.8Å; R5-E85 IonicContact NH1-OE2 2.71Å; R5-E85 PolarHBondContact NH1-OE2 3.1Å; R5-D87 IonicContact CZ-OD2 3.61Å; R5-D87 IonicContact NH1-OD1 2.79Å; R5-D87 PolarHBondContact NH1-OD1 3.06Å; R5-D87 IonicContact NH1-OD2 2.78Å; R5-D87 PolarHBondContact NH1-OD2 3.19Å; R5-D87 IonicContact NH2-OD2 3.79Å; R5-D87 PolarHBondContact NH2-OD2 3.24Å; R5-L88 HydrophobicContact CB-CD1 3.77Å |
| 6 | I | 95.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 71.6 Ų | 71.6 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 173.3 | -65.4 | -67.1 | 0 | 0 | 0 | 111.6 | E3 Q8 I9 K10 L88 S91 E93 | E3-I6 HydrophobicContact CB-CB 4.21Å; E3-I6 HydrophobicContact CB-CG1 3.99Å; E3-I6 PolarHBondContact O-N 3.38Å; E3-I6 VanDerWaalsContact O-N 3.1Å; I6-Q8 VanDerWaalsContact C-N 3.32Å; I6-Q8 PolarHBondContact O-N 3.48Å; I6-I9 PolarHBondContact O-N 2.84Å; I6-K10 PolarHBondContact O-N 3.01Å; I6-L88 HydrophobicContact CD1-CB 4.4Å; I6-L88 HydrophobicContact CD1-CD1 3.91Å; I6-L88 HydrophobicContact CD1-CD2 4.33Å; I6-L88 HydrophobicContact CD1-CG 4.46Å; I6-L88 HydrophobicContact CG1-CD1 4.31Å; I6-S91 WeakPolarHBondContact CD1-OG 3.43Å; I6-E93 HydrophobicContact CD1-CB 4.45Å; I6-E93 HydrophobicContact CG2-CB 4.1Å; I6-E93 VanDerWaalsContact CG2-CD 3.48Å; I6-E93 HydrophobicContact CG2-CG 3.59Å |
| 7 | R | 96.4 | Very high | 92.1 | Very high | 167 Ų | 167 | 72.3 Ų | 72.3 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 175.3 | -177.8 | -179.1 | 177.8 | -175.3 | -0.4 | 111.6 | E3 P4 R5 K10 I11 | E3-R7 PolarHBondContact O-N 2.91Å; P4-R7 WeakPolarHBondContact O-CB 3.45Å; P4-R7 PolarHBondContact O-N 3.14Å; R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 3.4Å; R7-K10 PolarHBondContact O-N 3.11Å; R7-I11 HydrophobicContact CG-CD1 3.95Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.46Å; R7-I11 PolarHBondContact O-N 2.92Å |
| 8 | Q | 97.1 | Very high | 92.4 | Very high | 84 Ų | 84 | 77 Ų | 77 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 178.7 | -165.8 | 178.8 | 4.6 | 0 | 0 | 111.9 | P4 R5 I6 K10 I11 K12 L81 | P4-Q8 PolarHBondContact O-N 3.41Å; P4-Q8 VanDerWaalsContact O-N 3.07Å; R5-Q8 WeakPolarHBondContact O-CB 3.4Å; R5-Q8 PolarHBondContact O-N 3.23Å; I6-Q8 VanDerWaalsContact C-N 3.32Å; I6-Q8 PolarHBondContact O-N 3.48Å; Q8-K10 PolarHBondContact O-N 3.01Å; Q8-I11 PolarHBondContact O-N 3.24Å; Q8-K12 PolarHBondContact O-N 3.48Å; Q8-L81 HydrophobicContact CB-CD2 4.28Å; Q8-L81 HydrophobicContact CG-CD2 3.88Å |
| 9 | I | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 173.4 | -66.8 | 173.2 | 0 | 0 | 0 | 110.3 | R5 I6 I11 K12 T13 L81 L82 L88 E93 Y94 A97 | R5-I9 PolarHBondContact O-N 3.46Å; I6-I9 PolarHBondContact O-N 2.84Å; I9-I11 VanDerWaalsContact C-N 3.33Å; I9-I11 PolarHBondContact O-N 2.91Å; I9-K12 PolarHBondContact O-N 3.38Å; I9-T13 VanDerWaalsContact O-CB 3.26Å; I9-T13 WeakPolarHBondContact O-CB 3.28Å; I9-T13 PolarHBondContact O-N 3.32Å; I9-T13 PolarHBondContact O-OG1 2.94Å; I9-L81 HydrophobicContact CG1-CD2 3.84Å; I9-L81 HydrophobicContact CG1-CG 4.29Å; I9-L82 HydrophobicContact CD1-CD2 4.13Å; I9-L82 HydrophobicContact CG1-CD2 4.15Å; I9-L82 HydrophobicContact CG2-CD2 4.03Å; I9-L88 HydrophobicContact CD1-CD1 4.16Å; I9-E93 HydrophobicContact CG2-CB 4.18Å; I9-E93 WeakPolarHBondContact CG2-O 3.45Å; I9-Y94 HydrophobicContact CD1-CD2 4.22Å; I9-A97 HydrophobicContact CG2-CB 3.68Å |
| 10 | K | 97.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 176.6 | -72.3 | -172.7 | -175.7 | -175.1 | 0 | 112.5 | I6 R7 Q8 G14 E93 | I6-K10 PolarHBondContact O-N 3.01Å; R7-K10 PolarHBondContact O-N 3.11Å; Q8-K10 PolarHBondContact O-N 3.01Å; K10-G14 PolarHBondContact O-N 2.9Å; K10-E93 HydrophobicContact CD-CG 4.05Å; K10-E93 WeakPolarHBondContact CE-OE1 3.44Å; K10-E93 HydrophobicContact CG-CB 4.43Å; K10-E93 HydrophobicContact CG-CG 3.68Å; K10-E93 IonicContact NZ-OE1 2.84Å; K10-E93 PolarHBondContact NZ-OE1 2.91Å |
| 11 | I | 98.4 | Very high | 93.1 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 45% | 0.446 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -52.4 | -177.7 | -71.1 | 164.7 | 0 | 0 | 0 | 110.5 | R7 Q8 I9 T13 G14 I15 | R7-I11 HydrophobicContact CG-CD1 3.95Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.46Å; R7-I11 PolarHBondContact O-N 2.92Å; Q8-I11 PolarHBondContact O-N 3.24Å; I9-I11 VanDerWaalsContact C-N 3.33Å; I9-I11 PolarHBondContact O-N 2.91Å; I11-T13 VanDerWaalsContact C-N 3.34Å; I11-T13 PolarHBondContact O-N 3.1Å; I11-G14 WeakPolarHBondContact O-CA 3.46Å; I11-G14 PolarHBondContact O-N 2.95Å; I11-G14 VanDerWaalsContact O-N 3.11Å; I11-I15 HydrophobicContact CG2-CD1 4.18Å; I11-I15 WeakPolarHBondContact O-CG1 3.42Å; I11-I15 PolarHBondContact O-N 3Å |
| 12 | K | 98.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 15% | 0.148 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | -178.7 | -70.7 | -173.5 | -167 | -97.7 | 0 | 111.9 | Q8 I9 G14 I15 V16 D77 L78 L81 | Q8-K12 PolarHBondContact O-N 3.48Å; I9-K12 PolarHBondContact O-N 3.38Å; K12-G14 VanDerWaalsContact C-N 3.3Å; K12-G14 PolarHBondContact O-N 3.45Å; K12-I15 WeakPolarHBondContact O-CB 3.4Å; K12-I15 PolarHBondContact O-N 3.05Å; K12-I15 VanDerWaalsContact O-N 3.1Å; K12-V16 PolarHBondContact O-N 2.91Å; K12-D77 WeakPolarHBondContact CD-OD2 3.5Å; K12-D77 IonicContact NZ-OD1 3.05Å; K12-D77 PolarHBondContact NZ-OD1 3.27Å; K12-D77 IonicContact NZ-OD2 3.39Å; K12-D77 PolarHBondContact NZ-OD2 2.89Å; K12-L78 HydrophobicContact CB-CB 4.29Å; K12-L78 HydrophobicContact CB-CD1 3.74Å; K12-L81 HydrophobicContact CD-CB 4.29Å; K12-L81 HydrophobicContact CD-CD2 3.65Å; K12-L81 HydrophobicContact CG-CD2 4.47Å |
| 13 | T | 98.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | I9 I11 I15 V16 K17 A97 V100 | I9-T13 VanDerWaalsContact O-CB 3.26Å; I9-T13 WeakPolarHBondContact O-CB 3.28Å; I9-T13 PolarHBondContact O-N 3.32Å; I9-T13 PolarHBondContact O-OG1 2.94Å; I11-T13 VanDerWaalsContact C-N 3.34Å; I11-T13 PolarHBondContact O-N 3.1Å; T13-I15 VanDerWaalsContact C-N 3.31Å; T13-I15 PolarHBondContact O-N 2.99Å; T13-V16 PolarHBondContact O-N 2.93Å; T13-K17 WeakPolarHBondContact O-CG 3.38Å; T13-K17 PolarHBondContact O-N 2.72Å; T13-A97 HydrophobicContact CG2-CB 4.44Å; T13-A97 WeakPolarHBondContact OG1-CB 3.49Å; T13-V100 HydrophobicContact CG2-CB 4.19Å; T13-V100 HydrophobicContact CG2-CG1 4.37Å; T13-V100 HydrophobicContact CG2-CG2 3.84Å |
| 14 | G | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K10 I11 K12 R18 | K10-G14 PolarHBondContact O-N 2.9Å; I11-G14 WeakPolarHBondContact O-CA 3.46Å; I11-G14 PolarHBondContact O-N 2.95Å; I11-G14 VanDerWaalsContact O-N 3.11Å; K12-G14 VanDerWaalsContact C-N 3.3Å; K12-G14 PolarHBondContact O-N 3.45Å; G14-R18 WeakPolarHBondContact O-CG 3.4Å; G14-R18 PolarHBondContact O-N 3.05Å; G14-R18 VanDerWaalsContact O-N 3.17Å; G14-R18 PolarHBondContact O-NH1 3.3Å |
| 15 | I | 98.4 | Very high | 97.2 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -51.5 | 175 | -66 | 167.1 | 0 | 0 | 0 | 110 | I11 K12 T13 K17 R18 L19 A74 | I11-I15 HydrophobicContact CG2-CD1 4.18Å; I11-I15 WeakPolarHBondContact O-CG1 3.42Å; I11-I15 PolarHBondContact O-N 3Å; K12-I15 WeakPolarHBondContact O-CB 3.4Å; K12-I15 PolarHBondContact O-N 3.05Å; K12-I15 VanDerWaalsContact O-N 3.1Å; T13-I15 VanDerWaalsContact C-N 3.31Å; T13-I15 PolarHBondContact O-N 2.99Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.07Å; I15-R18 PolarHBondContact O-N 2.93Å; I15-R18 VanDerWaalsContact O-N 3.15Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.47Å; I15-L19 PolarHBondContact O-N 2.98Å; I15-A74 HydrophobicContact CG2-CB 3.89Å |
| 16 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | K12 T13 R18 L19 A20 L71 A74 L78 V100 V104 | K12-V16 PolarHBondContact O-N 2.91Å; T13-V16 PolarHBondContact O-N 2.93Å; V16-R18 VanDerWaalsContact C-N 3.32Å; V16-R18 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 3.32Å; V16-A20 WeakPolarHBondContact O-CB 3.45Å; V16-A20 PolarHBondContact O-N 3.07Å; V16-L71 HydrophobicContact CG1-CD1 4.02Å; V16-A74 HydrophobicContact CG2-CB 4.01Å; V16-A74 WeakPolarHBondContact CG2-O 3.41Å; V16-L78 HydrophobicContact CB-CD2 4.34Å; V16-L78 HydrophobicContact CG2-CB 4.11Å; V16-L78 HydrophobicContact CG2-CD2 3.84Å; V16-V100 HydrophobicContact CB-CG1 4.18Å; V16-V100 HydrophobicContact CG1-CG1 3.7Å; V16-V104 HydrophobicContact CG1-CG2 3.82Å |
| 17 | K | 98.1 | Very high | 97.2 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 177.2 | -75.6 | -174.6 | -179 | -175 | 0 | 113.4 | T13 I15 K21 E96 V100 | T13-K17 WeakPolarHBondContact O-CG 3.38Å; T13-K17 PolarHBondContact O-N 2.72Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.07Å; K17-K21 WeakPolarHBondContact O-CG 3.42Å; K17-K21 PolarHBondContact O-N 3.1Å; K17-E96 WeakPolarHBondContact CE-OE1 3.35Å; K17-E96 IonicContact NZ-OE1 3.3Å; K17-E96 PolarHBondContact NZ-OE1 3.47Å; K17-V100 HydrophobicContact CD-CG2 4.23Å; K17-V100 HydrophobicContact CG-CG1 3.93Å; K17-V100 HydrophobicContact CG-CG2 4.01Å |
| 18 | R | 98.3 | Very high | 97.2 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 59% | 0.592 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.3 | -47.3 | -179.8 | -76.3 | -170.4 | -60.2 | -86.6 | 0.3 | 111.1 | G14 I15 V16 A20 K21 E22 | G14-R18 WeakPolarHBondContact O-CG 3.4Å; G14-R18 PolarHBondContact O-N 3.05Å; G14-R18 VanDerWaalsContact O-N 3.17Å; G14-R18 PolarHBondContact O-NH1 3.3Å; I15-R18 PolarHBondContact O-N 2.93Å; I15-R18 VanDerWaalsContact O-N 3.15Å; V16-R18 VanDerWaalsContact C-N 3.32Å; V16-R18 PolarHBondContact O-N 3.22Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.4Å; R18-K21 PolarHBondContact O-N 2.98Å; R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 PolarHBondContact O-N 3.48Å |
| 19 | L | 97.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 179.2 | -70.5 | 169.7 | 0 | 0 | 0 | 111.8 | I15 V16 K21 E22 E23 R70 L71 A74 | I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.47Å; I15-L19 PolarHBondContact O-N 2.98Å; V16-L19 PolarHBondContact O-N 3.32Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.99Å; L19-E22 PolarHBondContact O-N 3.34Å; L19-E23 WeakPolarHBondContact O-CB 3.35Å; L19-E23 PolarHBondContact O-N 3.03Å; L19-R70 HydrophobicContact CD1-CB 4.26Å; L19-R70 HydrophobicContact CD2-CB 3.98Å; L19-L71 HydrophobicContact CB-CB 4.06Å; L19-L71 HydrophobicContact CB-CD1 3.77Å; L19-L71 HydrophobicContact CB-CG 4.46Å; L19-A74 HydrophobicContact CD1-CB 3.62Å |
| 20 | A | 96.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V16 R18 L24 L71 V104 | V16-A20 WeakPolarHBondContact O-CB 3.45Å; V16-A20 PolarHBondContact O-N 3.07Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.4Å; A20-L24 WeakPolarHBondContact O-CB 3.24Å; A20-L24 PolarHBondContact O-N 3.16Å; A20-L24 VanDerWaalsContact O-N 3.14Å; A20-L71 HydrophobicContact CB-CD1 4.15Å; A20-L71 HydrophobicContact CB-CD2 4.21Å; A20-V104 HydrophobicContact CB-CG2 3.97Å |
| 21 | K | 96.3 | Very high | 97.2 | Very high | 158 Ų | 158 | 62.5 Ų | 62.5 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.5 | -38.7 | 174.6 | -74 | -179.7 | 178.1 | -170.4 | 0 | 112.3 | K17 R18 L19 S25 | K17-K21 WeakPolarHBondContact O-CG 3.42Å; K17-K21 PolarHBondContact O-N 3.1Å; R18-K21 PolarHBondContact O-N 2.98Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.99Å; K21-S25 PolarHBondContact O-N 3.44Å |
| 22 | E | 96.2 | Very high | 97.2 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 177.9 | -173.7 | 178.9 | -178.9 | 0 | 0 | 111 | R18 L19 L24 S25 Y26 | R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 PolarHBondContact O-N 3.48Å; L19-E22 PolarHBondContact O-N 3.34Å; E22-L24 PolarHBondContact O-N 3.47Å; E22-S25 WeakPolarHBondContact O-CB 3.43Å; E22-S25 PolarHBondContact O-N 2.94Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-Y26 HydrophobicContact CG-CD2 4.16Å; E22-Y26 HydrophobicContact CG-CE2 3.56Å; E22-Y26 WeakPolarHBondContact O-CD2 3.36Å; E22-Y26 PolarHBondContact O-N 3.42Å; E22-Y26 VanDerWaalsContact O-N 3.07Å |
| 23 | E | 95.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 64.1 Ų | 64.1 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.4 | -176 | -174.9 | -137.7 | 0 | 0 | 111.1 | L19 S25 Y26 I27 C67 R68 L71 | L19-E23 WeakPolarHBondContact O-CB 3.35Å; L19-E23 PolarHBondContact O-N 3.03Å; E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.41Å; E23-Y26 PolarHBondContact O-N 3.25Å; E23-I27 HydrophobicContact CG-CD1 3.82Å; E23-I27 HydrophobicContact CG-CG1 4.42Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.5Å; E23-C67 PolarHBondContact N-SG 2.96Å; E23-R68 WeakPolarHBondContact OE1-CA 3.37Å; E23-R68 WeakPolarHBondContact OE1-CB 3.17Å; E23-R68 VanDerWaalsContact OE1-CD 3.28Å; E23-R68 WeakPolarHBondContact OE1-CD 3.44Å; E23-R68 WeakPolarHBondContact OE1-CG 3.44Å; E23-L71 WeakPolarHBondContact OE2-CD2 3.41Å |
| 24 | L | 95.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 67.1 Ų | 67.1 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 177.1 | -178.4 | 62.1 | 0 | 0 | 0 | 112.1 | A20 E22 I27 N28 | A20-L24 WeakPolarHBondContact O-CB 3.24Å; A20-L24 PolarHBondContact O-N 3.16Å; A20-L24 VanDerWaalsContact O-N 3.14Å; E22-L24 PolarHBondContact O-N 3.47Å; L24-I27 PolarHBondContact O-N 3.22Å; L24-N28 WeakPolarHBondContact O-CB 3.39Å; L24-N28 PolarHBondContact O-N 3.15Å; L24-N28 PolarHBondContact O-ND2 3.5Å |
| 25 | S | 96.3 | Very high | 97.2 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.2 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | K21 E22 E23 N28 E29 | K21-S25 PolarHBondContact O-N 3.44Å; E22-S25 WeakPolarHBondContact O-CB 3.43Å; E22-S25 PolarHBondContact O-N 2.94Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.41Å; S25-N28 PolarHBondContact O-N 2.92Å; S25-E29 WeakPolarHBondContact O-CB 3.45Å; S25-E29 PolarHBondContact O-N 3.41Å |
| 26 | Y | 95.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 71.2 Ų | 71.2 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 179.1 | -65.6 | -43.3 | 0 | 0 | 0 | 112.8 | E22 E23 E29 A30 M63 C67 | E22-Y26 HydrophobicContact CG-CD2 4.16Å; E22-Y26 HydrophobicContact CG-CE2 3.56Å; E22-Y26 WeakPolarHBondContact O-CD2 3.36Å; E22-Y26 PolarHBondContact O-N 3.42Å; E22-Y26 VanDerWaalsContact O-N 3.07Å; E23-Y26 PolarHBondContact O-N 3.25Å; Y26-E29 PolarHBondContact O-N 2.93Å; Y26-A30 WeakPolarHBondContact O-CB 3.5Å; Y26-A30 PolarHBondContact O-N 2.97Å; Y26-M63 HydrophobicContact CD1-CB 3.94Å; Y26-M63 HydrophobicContact CD2-CB 4.17Å; Y26-M63 HydrophobicContact CE1-CB 4.21Å; Y26-M63 HydrophobicContact CE1-CE 4.19Å; Y26-M63 HydrophobicContact CE2-CB 4.41Å; Y26-M63 HydrophobicContact CE2-CE 4.44Å; Y26-M63 HydrophobicContact CG-CB 3.93Å; Y26-C67 HydrophobicContact CD2-CB 4.02Å; Y26-C67 HydrophobicContact CE2-CB 4.26Å |
| 27 | I | 95.8 | Very high | 97.1 | Very high | 74 Ų | 74 | 71.5 Ų | 71.5 | 38% | 0.379 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 173.6 | -70.5 | 170.4 | 0 | 0 | 0 | 110.5 | E23 L24 E29 A30 K31 V64 | E23-I27 HydrophobicContact CG-CD1 3.82Å; E23-I27 HydrophobicContact CG-CG1 4.42Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.5Å; L24-I27 PolarHBondContact O-N 3.22Å; I27-E29 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 3.35Å; I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 3.42Å; I27-V64 HydrophobicContact CD1-CG1 4.49Å; I27-V64 HydrophobicContact CG1-CG1 3.94Å; I27-V64 HydrophobicContact CG1-CG2 4.24Å |
| 28 | N | 96.8 | Very high | 97 | Very high | 76 Ų | 76 | 72.9 Ų | 72.9 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.6 | -71.9 | -21.8 | 0 | 0 | 0 | 111.5 | L24 S25 K31 E32 | L24-N28 WeakPolarHBondContact O-CB 3.39Å; L24-N28 PolarHBondContact O-N 3.15Å; L24-N28 PolarHBondContact O-ND2 3.5Å; S25-N28 PolarHBondContact O-N 2.92Å; N28-K31 WeakPolarHBondContact O-CB 3.32Å; N28-K31 PolarHBondContact O-N 3.46Å; N28-E32 WeakPolarHBondContact O-CG 3.46Å; N28-E32 PolarHBondContact O-N 3.34Å |
| 29 | E | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.7 | -171.6 | -175.9 | 157 | 0 | 0 | 111.5 | S25 Y26 I27 K31 E32 Q33 S60 | S25-E29 WeakPolarHBondContact O-CB 3.45Å; S25-E29 PolarHBondContact O-N 3.41Å; Y26-E29 PolarHBondContact O-N 2.93Å; I27-E29 PolarHBondContact O-N 3.23Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.96Å; E29-E32 PolarHBondContact O-N 3.21Å; E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 2.95Å; E29-S60 PolarHBondContact OE1-OG 3.36Å |
| 30 | A | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y26 I27 Q33 E34 L57 R61 | Y26-A30 WeakPolarHBondContact O-CB 3.5Å; Y26-A30 PolarHBondContact O-N 2.97Å; I27-A30 PolarHBondContact O-N 3.35Å; A30-Q33 PolarHBondContact O-N 3.38Å; A30-E34 WeakPolarHBondContact O-CB 3.45Å; A30-E34 PolarHBondContact O-N 2.98Å; A30-L57 WeakPolarHBondContact O-CD1 3.42Å; A30-R61 HydrophobicContact CB-CG 4Å |
| 31 | K | 97.8 | Very high | 96.9 | Very high | 118 Ų | 118 | 76.1 Ų | 76.1 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 175.7 | -172 | -177 | 176.8 | -172.1 | 0 | 112 | I27 N28 E29 Q33 E34 E35 | I27-K31 WeakPolarHBondContact O-CB 3.36Å; I27-K31 PolarHBondContact O-N 3.42Å; N28-K31 WeakPolarHBondContact O-CB 3.32Å; N28-K31 PolarHBondContact O-N 3.46Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.96Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.21Å; K31-E34 WeakPolarHBondContact O-CB 3.47Å; K31-E34 PolarHBondContact O-N 2.88Å; K31-E34 VanDerWaalsContact O-N 3.15Å; K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.33Å |
| 32 | E | 98.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 72.9 Ų | 72.9 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 176.1 | -73.9 | 176.7 | -173.4 | 0 | 0 | 111.9 | N28 E29 K36 | N28-E32 WeakPolarHBondContact O-CG 3.46Å; N28-E32 PolarHBondContact O-N 3.34Å; E29-E32 PolarHBondContact O-N 3.21Å; E32-K36 WeakPolarHBondContact O-CB 3.32Å; E32-K36 PolarHBondContact O-N 3.31Å |
| 33 | Q | 98.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 76.7 Ų | 76.7 | 16% | 0.159 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 174.9 | -60.4 | -45.1 | -44.7 | 0 | 0 | 111.9 | E29 A30 K31 K36 V37 V56 L57 | E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 2.95Å; A30-Q33 PolarHBondContact O-N 3.38Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.21Å; Q33-K36 WeakPolarHBondContact O-CB 3.45Å; Q33-K36 PolarHBondContact O-N 3.41Å; Q33-V37 WeakPolarHBondContact O-CG2 3.12Å; Q33-V37 PolarHBondContact O-N 3.44Å; Q33-V56 HydrophobicContact CG-CG1 4.12Å; Q33-L57 HydrophobicContact CB-CB 4.1Å; Q33-L57 HydrophobicContact CB-CD1 3.9Å |
| 34 | E | 98.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 78.9 Ų | 78.9 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 176.5 | 178.9 | 159.4 | -138.8 | 0 | 0 | 111.2 | A30 K31 K36 V37 E38 L57 R61 | A30-E34 WeakPolarHBondContact O-CB 3.45Å; A30-E34 PolarHBondContact O-N 2.98Å; K31-E34 WeakPolarHBondContact O-CB 3.47Å; K31-E34 PolarHBondContact O-N 2.88Å; K31-E34 VanDerWaalsContact O-N 3.15Å; E34-K36 PolarHBondContact O-N 2.94Å; E34-V37 WeakPolarHBondContact O-CB 3.28Å; E34-V37 PolarHBondContact O-N 2.78Å; E34-E38 WeakPolarHBondContact O-CG 3.34Å; E34-E38 PolarHBondContact O-N 3.22Å; E34-L57 HydrophobicContact CB-CD1 3.94Å; E34-L57 HydrophobicContact CB-CD2 4.23Å; E34-R61 IonicContact OE1-CZ 2.75Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.96Å; E34-R61 IonicContact OE2-NH2 3.14Å; E34-R61 PolarHBondContact OE2-NH2 3.41Å |
| 35 | E | 98.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 75.6 Ų | 75.6 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.6 | -34.7 | 175.3 | -68.2 | 177.2 | -173.1 | 0 | 0 | 111.6 | K31 E38 R39 | K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.33Å; E35-E38 PolarHBondContact O-N 3.46Å; E35-R39 WeakPolarHBondContact O-CG 3.41Å; E35-R39 PolarHBondContact O-N 3.46Å; E35-R39 IonicContact OE2-NH1 3.98Å |
| 36 | K | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 39% | 0.391 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 175.2 | -172.9 | 175.7 | 173.6 | -158.9 | 0 | 112.3 | E32 Q33 E34 E38 L40 Q53 | E32-K36 WeakPolarHBondContact O-CB 3.32Å; E32-K36 PolarHBondContact O-N 3.31Å; Q33-K36 WeakPolarHBondContact O-CB 3.45Å; Q33-K36 PolarHBondContact O-N 3.41Å; E34-K36 PolarHBondContact O-N 2.94Å; K36-E38 VanDerWaalsContact C-N 3.33Å; K36-L40 WeakPolarHBondContact O-CG 3.46Å; K36-L40 PolarHBondContact O-N 3.21Å; K36-Q53 HydrophobicContact CD-CG 4.3Å; K36-Q53 HydrophobicContact CG-CG 4.16Å |
| 37 | V | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.03 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 172.9 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | Q33 E34 L40 K41 Q53 M54 L57 | Q33-V37 WeakPolarHBondContact O-CG2 3.12Å; Q33-V37 PolarHBondContact O-N 3.44Å; E34-V37 WeakPolarHBondContact O-CB 3.28Å; E34-V37 PolarHBondContact O-N 2.78Å; V37-L40 PolarHBondContact O-N 3.31Å; V37-K41 HydrophobicContact CG1-CD 4.04Å; V37-K41 WeakPolarHBondContact O-CG 3.39Å; V37-K41 PolarHBondContact O-N 3.34Å; V37-Q53 HydrophobicContact CG2-CB 4.21Å; V37-Q53 HydrophobicContact CG2-CG 3.65Å; V37-M54 HydrophobicContact CG1-CG 3.86Å; V37-M54 HydrophobicContact CG2-CG 4.09Å; V37-L57 HydrophobicContact CG2-CB 4.32Å; V37-L57 HydrophobicContact CG2-CD2 4.13Å |
| 38 | E | 97.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 85.3 Ų | 85.3 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 179.7 | -71.1 | -178.5 | 163.8 | 0 | 0 | 112.2 | E34 E35 K36 K41 A42 | E34-E38 WeakPolarHBondContact O-CG 3.34Å; E34-E38 PolarHBondContact O-N 3.22Å; E35-E38 PolarHBondContact O-N 3.46Å; K36-E38 VanDerWaalsContact C-N 3.33Å; E38-K41 PolarHBondContact O-N 3.32Å; E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.3Å |
| 39 | R | 97.4 | Very high | 96.4 | Very high | 121 Ų | 121 | 86.1 Ų | 86.1 | 46% | 0.457 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.8 | -75 | -172.1 | -62.1 | -91.7 | 0.4 | 112.1 | E35 K41 A42 E43 | E35-R39 WeakPolarHBondContact O-CG 3.41Å; E35-R39 PolarHBondContact O-N 3.46Å; E35-R39 IonicContact OE2-NH1 3.98Å; R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 3.41Å; R39-A42 PolarHBondContact O-N 3.02Å; R39-A42 VanDerWaalsContact O-N 3.14Å; R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 3.24Å |
| 40 | L | 96.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 83.7 Ų | 83.7 | 20% | 0.199 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 177.9 | -73.3 | 173.4 | 0 | 0 | 0 | 112.1 | K36 V37 G45 I50 Q53 | K36-L40 WeakPolarHBondContact O-CG 3.46Å; K36-L40 PolarHBondContact O-N 3.21Å; V37-L40 PolarHBondContact O-N 3.31Å; L40-G45 WeakPolarHBondContact O-CA 3.48Å; L40-G45 PolarHBondContact O-N 3.08Å; L40-I50 HydrophobicContact CB-CG1 3.92Å; L40-Q53 HydrophobicContact CD1-CB 3.78Å; L40-Q53 HydrophobicContact CD1-CG 3.8Å |
| 41 | K | 95.4 | Very high | 96.4 | Very high | 111 Ų | 111 | 89.8 Ų | 89.8 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 175.5 | -73.2 | 173.5 | 178.4 | 177.1 | 0 | 112 | V37 E38 R39 E43 G44 I50 | V37-K41 HydrophobicContact CG1-CD 4.04Å; V37-K41 WeakPolarHBondContact O-CG 3.39Å; V37-K41 PolarHBondContact O-N 3.34Å; E38-K41 PolarHBondContact O-N 3.32Å; R39-K41 VanDerWaalsContact C-N 3.27Å; R39-K41 PolarHBondContact O-N 3.41Å; K41-E43 VanDerWaalsContact C-N 3.31Å; K41-E43 PolarHBondContact O-N 3.19Å; K41-G44 PolarHBondContact O-N 2.8Å; K41-I50 HydrophobicContact CG-CD1 4.09Å; K41-I50 HydrophobicContact CG-CG1 4.49Å; K41-I50 HydrophobicContact CG-CG2 4.04Å |
| 42 | A | 96.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 90 Ų | 90 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.8 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E38 R39 G44 | E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.3Å; R39-A42 PolarHBondContact O-N 3.02Å; R39-A42 VanDerWaalsContact O-N 3.14Å; A42-G44 PolarHBondContact O-N 3.36Å |
| 43 | E | 96.3 | Very high | 96.4 | Very high | 150 Ų | 150 | 85 Ų | 85 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.2 | 178.5 | -68.3 | 170.7 | -171.1 | 0 | 0 | 113.3 | R39 K41 G45 | R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 3.24Å; K41-E43 VanDerWaalsContact C-N 3.31Å; K41-E43 PolarHBondContact O-N 3.19Å; E43-G45 VanDerWaalsContact C-N 3.3Å |
| 44 | G | 93.1 | Very high | 96.4 | Very high | 67 Ų | 67 | 87.3 Ų | 87.3 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 33.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K41 A42 | K41-G44 PolarHBondContact O-N 2.8Å; A42-G44 PolarHBondContact O-N 3.36Å |
| 45 | G | 89.8 | Confident | 96.4 | Very high | 27 Ų | 27 | 88.9 Ų | 88.9 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | trans | -58.9 | 158.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L40 E43 E47 I50 | L40-G45 WeakPolarHBondContact O-CA 3.48Å; L40-G45 PolarHBondContact O-N 3.08Å; E43-G45 VanDerWaalsContact C-N 3.3Å; G45-E47 PolarHBondContact O-N 3.44Å; G45-I50 VanDerWaalsContact O-CD1 3.28Å; G45-I50 WeakPolarHBondContact O-CD1 3.49Å | ||
| 46 | D | 95.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 87.9 Ų | 87.9 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | trans | -56.5 | 135.4 | 179.3 | 172.5 | -94.4 | 0 | 0 | 0 | 112.3 | F48 L49 I50 | D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.26Å; D46-F48 WeakPolarHBondContact OD1-CA 3.22Å; D46-F48 VanDerWaalsContact OD1-CB 3.24Å; D46-F48 WeakPolarHBondContact OD1-CB 3.27Å; D46-F48 PolarHBondContact OD1-N 3.43Å; D46-L49 HydrophobicContact CB-CB 4.29Å; D46-L49 HydrophobicContact CB-CD1 4.05Å; D46-L49 HydrophobicContact CB-CG 4.05Å; D46-L49 WeakPolarHBondContact O-CB 3.15Å; D46-L49 PolarHBondContact O-N 3.03Å; D46-L49 VanDerWaalsContact O-N 3.11Å; D46-L49 PolarHBondContact OD1-N 3.14Å; D46-I50 WeakPolarHBondContact O-CG1 3.47Å; D46-I50 PolarHBondContact O-N 3.37Å | ||
| 47 | E | 95.3 | Very high | 96.4 | Very high | 165 Ų | 165 | 84.1 Ų | 84.1 | 77% | 0.771 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.4 | -36.6 | -173.9 | -172.1 | 179.2 | -177.7 | 0 | 0 | 112.2 | G45 I50 K51 | G45-E47 PolarHBondContact O-N 3.44Å; E47-I50 PolarHBondContact O-N 2.94Å; E47-K51 WeakPolarHBondContact O-CB 3.09Å; E47-K51 PolarHBondContact O-N 3.07Å |
| 48 | F | 96.6 | Very high | 96.4 | Very high | 144 Ų | 144 | 88.6 Ų | 88.6 | 63% | 0.632 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 176.8 | 171.9 | -92 | 0 | 0 | 0 | 111 | D46 K51 K52 | D46-F48 VanDerWaalsContact C-N 3.29Å; D46-F48 PolarHBondContact O-N 3.26Å; D46-F48 WeakPolarHBondContact OD1-CA 3.22Å; D46-F48 VanDerWaalsContact OD1-CB 3.24Å; D46-F48 WeakPolarHBondContact OD1-CB 3.27Å; D46-F48 PolarHBondContact OD1-N 3.43Å; F48-K51 PolarHBondContact O-N 2.96Å; F48-K52 WeakPolarHBondContact O-CB 3.47Å; F48-K52 PolarHBondContact O-N 2.97Å |
| 49 | L | 95.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 89 Ų | 89 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 173.6 | -65.9 | -178 | 0 | 0 | 0 | 112.4 | D46 K52 Q53 | D46-L49 HydrophobicContact CB-CB 4.29Å; D46-L49 HydrophobicContact CB-CD1 4.05Å; D46-L49 HydrophobicContact CB-CG 4.05Å; D46-L49 WeakPolarHBondContact O-CB 3.15Å; D46-L49 PolarHBondContact O-N 3.03Å; D46-L49 VanDerWaalsContact O-N 3.11Å; D46-L49 PolarHBondContact OD1-N 3.14Å; L49-K52 PolarHBondContact O-N 3.43Å; L49-Q53 WeakPolarHBondContact O-CB 3.39Å; L49-Q53 PolarHBondContact O-N 3.47Å |
| 50 | I | 97.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 83.5 Ų | 83.5 | 14% | 0.138 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.7 | -68.4 | 167.8 | 0 | 0 | 0 | 110.2 | L40 K41 G45 D46 E47 K52 Q53 M54 | L40-I50 HydrophobicContact CB-CG1 3.92Å; K41-I50 HydrophobicContact CG-CD1 4.09Å; K41-I50 HydrophobicContact CG-CG1 4.49Å; K41-I50 HydrophobicContact CG-CG2 4.04Å; G45-I50 VanDerWaalsContact O-CD1 3.28Å; G45-I50 WeakPolarHBondContact O-CD1 3.49Å; D46-I50 WeakPolarHBondContact O-CG1 3.47Å; D46-I50 PolarHBondContact O-N 3.37Å; E47-I50 PolarHBondContact O-N 2.94Å; I50-K52 PolarHBondContact O-N 3.47Å; I50-Q53 PolarHBondContact O-N 2.9Å; I50-M54 HydrophobicContact CG2-SD 4.31Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.17Å |
| 51 | K | 97.5 | Very high | 96.2 | Very high | 136 Ų | 136 | 86.1 Ų | 86.1 | 59% | 0.591 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 179.2 | -173.4 | 179.1 | 178.7 | -178.6 | 0 | 111.7 | E47 F48 Q53 M54 E55 | E47-K51 WeakPolarHBondContact O-CB 3.09Å; E47-K51 PolarHBondContact O-N 3.07Å; F48-K51 PolarHBondContact O-N 2.96Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.43Å; K51-M54 WeakPolarHBondContact O-CB 3.41Å; K51-M54 PolarHBondContact O-N 3.08Å; K51-M54 VanDerWaalsContact O-N 3.16Å; K51-E55 PolarHBondContact O-N 3.32Å; K51-E55 VanDerWaalsContact O-N 3.1Å |
| 52 | K | 97.6 | Very high | 96.1 | Very high | 123 Ų | 123 | 86.9 Ų | 86.9 | 54% | 0.535 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.9 | -172.1 | 174.9 | -176.9 | 177.2 | 0 | 111.9 | F48 L49 I50 M54 E55 V56 | F48-K52 WeakPolarHBondContact O-CB 3.47Å; F48-K52 PolarHBondContact O-N 2.97Å; L49-K52 PolarHBondContact O-N 3.43Å; I50-K52 PolarHBondContact O-N 3.47Å; K52-M54 VanDerWaalsContact C-N 3.3Å; K52-M54 PolarHBondContact O-N 3.44Å; K52-E55 WeakPolarHBondContact O-CB 3.41Å; K52-E55 PolarHBondContact O-N 3.38Å; K52-V56 PolarHBondContact O-N 2.87Å |
| 53 | Q | 97.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 87 Ų | 87 | 8% | 0.075 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.2 | -30.2 | 177.9 | -172.2 | 57 | 53.1 | 0 | 0 | 112.3 | K36 V37 L40 L49 I50 K51 V56 L57 | K36-Q53 HydrophobicContact CD-CG 4.3Å; K36-Q53 HydrophobicContact CG-CG 4.16Å; V37-Q53 HydrophobicContact CG2-CB 4.21Å; V37-Q53 HydrophobicContact CG2-CG 3.65Å; L40-Q53 HydrophobicContact CD1-CB 3.78Å; L40-Q53 HydrophobicContact CD1-CG 3.8Å; L49-Q53 WeakPolarHBondContact O-CB 3.39Å; L49-Q53 PolarHBondContact O-N 3.47Å; I50-Q53 PolarHBondContact O-N 2.9Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.43Å; Q53-V56 PolarHBondContact O-N 3.4Å; Q53-L57 PolarHBondContact O-N 2.96Å |
| 54 | M | 97.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 81.1 Ų | 81.1 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 171 | -74.3 | -178.3 | 59.9 | 0 | 0 | 112.7 | V37 I50 K51 K52 L57 Q58 | V37-M54 HydrophobicContact CG1-CG 3.86Å; V37-M54 HydrophobicContact CG2-CG 4.09Å; I50-M54 HydrophobicContact CG2-SD 4.31Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.17Å; K51-M54 WeakPolarHBondContact O-CB 3.41Å; K51-M54 PolarHBondContact O-N 3.08Å; K51-M54 VanDerWaalsContact O-N 3.16Å; K52-M54 VanDerWaalsContact C-N 3.3Å; K52-M54 PolarHBondContact O-N 3.44Å; M54-L57 PolarHBondContact O-N 3.35Å; M54-Q58 WeakPolarHBondContact O-CG 3.5Å; M54-Q58 PolarHBondContact O-N 3.34Å |
| 55 | E | 98.1 | Very high | 96 | Very high | 106 Ų | 106 | 81.8 Ų | 81.8 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 173 | -67.8 | 168.9 | -177.1 | 0 | 0 | 110.7 | K51 K52 L57 Q58 E59 | K51-E55 PolarHBondContact O-N 3.32Å; K51-E55 VanDerWaalsContact O-N 3.1Å; K52-E55 WeakPolarHBondContact O-CB 3.41Å; K52-E55 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.85Å; E55-Q58 WeakPolarHBondContact O-CB 3.39Å; E55-Q58 PolarHBondContact O-N 2.88Å; E55-Q58 VanDerWaalsContact O-N 3.1Å; E55-E59 PolarHBondContact O-N 2.99Å |
| 56 | V | 97.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 83.6 Ų | 83.6 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -44 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | Q33 K52 Q53 Q58 E59 S60 | Q33-V56 HydrophobicContact CG-CG1 4.12Å; K52-V56 PolarHBondContact O-N 2.87Å; Q53-V56 PolarHBondContact O-N 3.4Å; V56-Q58 VanDerWaalsContact C-N 3.31Å; V56-Q58 PolarHBondContact O-N 2.75Å; V56-E59 PolarHBondContact O-N 2.8Å; V56-S60 PolarHBondContact O-N 3.25Å; V56-S60 PolarHBondContact O-OG 2.96Å |
| 57 | L | 98.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 79.5 Ų | 79.5 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 175.3 | 172 | 60.2 | 0 | 0 | 0 | 112.1 | A30 Q33 E34 V37 Q53 M54 E55 S60 R61 | A30-L57 WeakPolarHBondContact O-CD1 3.42Å; Q33-L57 HydrophobicContact CB-CB 4.1Å; Q33-L57 HydrophobicContact CB-CD1 3.9Å; E34-L57 HydrophobicContact CB-CD1 3.94Å; E34-L57 HydrophobicContact CB-CD2 4.23Å; V37-L57 HydrophobicContact CG2-CB 4.32Å; V37-L57 HydrophobicContact CG2-CD2 4.13Å; Q53-L57 PolarHBondContact O-N 2.96Å; M54-L57 PolarHBondContact O-N 3.35Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.85Å; L57-S60 PolarHBondContact O-N 3.21Å; L57-R61 HydrophobicContact CD1-CG 4.15Å; L57-R61 WeakPolarHBondContact O-CB 3.45Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 2.94Å |
| 58 | Q | 97.6 | Very high | 96.1 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.1 | -70.6 | -64.8 | -29.8 | 0 | 0 | 111.4 | M54 E55 V56 S60 R61 M62 | M54-Q58 WeakPolarHBondContact O-CG 3.5Å; M54-Q58 PolarHBondContact O-N 3.34Å; E55-Q58 WeakPolarHBondContact O-CB 3.39Å; E55-Q58 PolarHBondContact O-N 2.88Å; E55-Q58 VanDerWaalsContact O-N 3.1Å; V56-Q58 VanDerWaalsContact C-N 3.31Å; V56-Q58 PolarHBondContact O-N 2.75Å; Q58-S60 PolarHBondContact O-N 3.13Å; Q58-R61 PolarHBondContact O-N 3.42Å; Q58-M62 VanDerWaalsContact O-CG 3.32Å; Q58-M62 WeakPolarHBondContact O-CG 3.32Å; Q58-M62 PolarHBondContact O-N 3.18Å |
| 59 | E | 96.1 | Very high | 96.1 | Very high | 120 Ų | 120 | 75.3 Ų | 75.3 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58 | -48.1 | 175.1 | -70 | 176.2 | 178.5 | 0 | 0 | 112.1 | E55 V56 R61 M62 | E55-E59 PolarHBondContact O-N 2.99Å; V56-E59 PolarHBondContact O-N 2.8Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.13Å; E59-M62 HydrophobicContact CB-CE 4.45Å; E59-M62 HydrophobicContact CG-CE 4.12Å; E59-M62 PolarHBondContact O-N 2.73Å |
| 60 | S | 94.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.9 | -58 | 0 | 0 | 0 | 0 | 111.9 | E29 V56 L57 Q58 M62 M63 | E29-S60 PolarHBondContact OE1-OG 3.36Å; V56-S60 PolarHBondContact O-N 3.25Å; V56-S60 PolarHBondContact O-OG 2.96Å; L57-S60 PolarHBondContact O-N 3.21Å; Q58-S60 PolarHBondContact O-N 3.13Å; S60-M62 VanDerWaalsContact C-N 3.35Å; S60-M62 PolarHBondContact O-N 3.49Å; S60-M63 PolarHBondContact O-N 3.11Å |
| 61 | R | 95.7 | Very high | 96.2 | Very high | 93 Ų | 93 | 75.6 Ų | 75.6 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.6 | -34.3 | 177.3 | -77.2 | 178.9 | 172.9 | -175.7 | -0.3 | 113.1 | A30 E34 L57 Q58 E59 M63 V64 P65 | A30-R61 HydrophobicContact CB-CG 4Å; E34-R61 IonicContact OE1-CZ 2.75Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.96Å; E34-R61 IonicContact OE2-NH2 3.14Å; E34-R61 PolarHBondContact OE2-NH2 3.41Å; L57-R61 HydrophobicContact CD1-CG 4.15Å; L57-R61 WeakPolarHBondContact O-CB 3.45Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 2.94Å; Q58-R61 PolarHBondContact O-N 3.42Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.13Å; R61-M63 PolarHBondContact O-N 3.01Å; R61-V64 PolarHBondContact O-N 3.33Å; R61-P65 WeakPolarHBondContact O-CD 3.47Å |
| 62 | M | 94.9 | Very high | 96.2 | Very high | 128 Ų | 128 | 72.1 Ų | 72.1 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66 | -16.9 | 179.3 | -75 | -170.3 | -63.4 | 0 | 0 | 113.5 | Q58 E59 S60 P65 | Q58-M62 VanDerWaalsContact O-CG 3.32Å; Q58-M62 WeakPolarHBondContact O-CG 3.32Å; Q58-M62 PolarHBondContact O-N 3.18Å; E59-M62 HydrophobicContact CB-CE 4.45Å; E59-M62 HydrophobicContact CG-CE 4.12Å; E59-M62 PolarHBondContact O-N 2.73Å; S60-M62 VanDerWaalsContact C-N 3.35Å; S60-M62 PolarHBondContact O-N 3.49Å; M62-P65 WeakPolarHBondContact O-CD 3.47Å |
| 63 | M | 92.2 | Very high | 96.2 | Very high | 92 Ų | 92 | 70.6 Ų | 70.6 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -78.8 | -28.9 | 177.9 | -63 | -58.5 | -67.5 | 0 | 0 | 113.4 | Y26 S60 R61 | Y26-M63 HydrophobicContact CD1-CB 3.94Å; Y26-M63 HydrophobicContact CD2-CB 4.17Å; Y26-M63 HydrophobicContact CE1-CB 4.21Å; Y26-M63 HydrophobicContact CE1-CE 4.19Å; Y26-M63 HydrophobicContact CE2-CB 4.41Å; Y26-M63 HydrophobicContact CE2-CE 4.44Å; Y26-M63 HydrophobicContact CG-CB 3.93Å; S60-M63 PolarHBondContact O-N 3.11Å; R61-M63 PolarHBondContact O-N 3.01Å |
| 64 | V | 94.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | -174.2 | -177.5 | 0 | 0 | 0 | 0 | 113 | I27 R61 D66 C67 R68 | I27-V64 HydrophobicContact CD1-CG1 4.49Å; I27-V64 HydrophobicContact CG1-CG1 3.94Å; I27-V64 HydrophobicContact CG1-CG2 4.24Å; R61-V64 PolarHBondContact O-N 3.33Å; V64-D66 PolarHBondContact O-N 3.24Å; V64-C67 PolarHBondContact O-N 3.19Å; V64-R68 WeakPolarHBondContact O-CB 3.45Å; V64-R68 PolarHBondContact O-N 3.4Å |
| 65 | P | 95.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | -173.4 | -27 | 35.6 | 0 | 0 | 0 | 115.2 | R61 M62 R68 R69 | R61-P65 WeakPolarHBondContact O-CD 3.47Å; M62-P65 WeakPolarHBondContact O-CD 3.47Å; P65-R68 PolarHBondContact O-N 3.03Å; P65-R69 WeakPolarHBondContact O-CB 3.39Å; P65-R69 PolarHBondContact O-N 2.86Å |
| 66 | D | 94.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | 179.8 | -173.2 | 57 | 0 | 0 | 0 | 111.3 | V64 R69 R70 | V64-D66 PolarHBondContact O-N 3.24Å; D66-R69 PolarHBondContact O-N 3.33Å; D66-R69 IonicContact OD1-CZ 2.93Å; D66-R69 IonicContact OD1-NE 3.95Å; D66-R69 PolarHBondContact OD1-NE 3.39Å; D66-R69 IonicContact OD1-NH2 2.59Å; D66-R69 PolarHBondContact OD1-NH2 2.86Å; D66-R70 VanDerWaalsContact O-CG 3.32Å; D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.92Å; D66-R70 IonicContact OD1-NE 3.62Å; D66-R70 IonicContact OD2-CZ 2.72Å; D66-R70 IonicContact OD2-NE 3.68Å; D66-R70 PolarHBondContact OD2-NE 3.36Å; D66-R70 IonicContact OD2-NH2 2.67Å; D66-R70 PolarHBondContact OD2-NH2 2.91Å; D66-R70 VanDerWaalsContact OD2-NH2 3.13Å |
| 67 | C | 94.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.1 | -164.9 | 0 | 0 | 0 | 0 | 111 | E23 Y26 V64 R69 R70 L71 | E23-C67 PolarHBondContact N-SG 2.96Å; Y26-C67 HydrophobicContact CD2-CB 4.02Å; Y26-C67 HydrophobicContact CE2-CB 4.26Å; V64-C67 PolarHBondContact O-N 3.19Å; C67-R69 VanDerWaalsContact C-N 3.34Å; C67-R69 PolarHBondContact O-N 3.22Å; C67-R70 PolarHBondContact O-N 3.45Å; C67-L71 WeakPolarHBondContact O-CB 3.35Å; C67-L71 PolarHBondContact O-N 3.25Å |
| 68 | R | 94.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 65.4 Ų | 65.4 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.8 | -171.6 | 157.3 | 106.8 | 153 | 8.8 | 112.5 | E23 V64 P65 L71 T72 E107 G108 | E23-R68 WeakPolarHBondContact OE1-CA 3.37Å; E23-R68 WeakPolarHBondContact OE1-CB 3.17Å; E23-R68 VanDerWaalsContact OE1-CD 3.28Å; E23-R68 WeakPolarHBondContact OE1-CD 3.44Å; E23-R68 WeakPolarHBondContact OE1-CG 3.44Å; V64-R68 WeakPolarHBondContact O-CB 3.45Å; V64-R68 PolarHBondContact O-N 3.4Å; P65-R68 PolarHBondContact O-N 3.03Å; R68-L71 PolarHBondContact O-N 2.94Å; R68-T72 WeakPolarHBondContact O-CB 3.33Å; R68-T72 PolarHBondContact O-N 3.21Å; R68-T72 PolarHBondContact O-OG1 3Å; R68-E107 PolarHBondContact NH1-O 3.4Å; R68-E107 PolarHBondContact NH2-O 3.11Å; R68-G108 PolarHBondContact NH2-OXT 2.97Å |
| 69 | R | 96.4 | Very high | 96.3 | Very high | 141 Ų | 141 | 63.2 Ų | 63.2 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.2 | -173.5 | -171.9 | 67.4 | 82 | 1.8 | 111.2 | P65 D66 C67 T72 V73 | P65-R69 WeakPolarHBondContact O-CB 3.39Å; P65-R69 PolarHBondContact O-N 2.86Å; D66-R69 PolarHBondContact O-N 3.33Å; D66-R69 IonicContact OD1-CZ 2.93Å; D66-R69 IonicContact OD1-NE 3.95Å; D66-R69 PolarHBondContact OD1-NE 3.39Å; D66-R69 IonicContact OD1-NH2 2.59Å; D66-R69 PolarHBondContact OD1-NH2 2.86Å; C67-R69 VanDerWaalsContact C-N 3.34Å; C67-R69 PolarHBondContact O-N 3.22Å; R69-T72 PolarHBondContact O-N 3.01Å; R69-V73 WeakPolarHBondContact O-CG2 3.43Å; R69-V73 PolarHBondContact O-N 2.59Å; R69-V73 VanDerWaalsContact O-N 3.08Å |
| 70 | R | 97 | Very high | 96.4 | Very high | 126 Ų | 126 | 63.3 Ų | 63.3 | 48% | 0.475 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.1 | -71 | 173.7 | -176.6 | -159.9 | -3.3 | 111.7 | L19 D66 C67 V73 A74 | L19-R70 HydrophobicContact CD1-CB 4.26Å; L19-R70 HydrophobicContact CD2-CB 3.98Å; D66-R70 VanDerWaalsContact O-CG 3.32Å; D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.92Å; D66-R70 IonicContact OD1-NE 3.62Å; D66-R70 IonicContact OD2-CZ 2.72Å; D66-R70 IonicContact OD2-NE 3.68Å; D66-R70 PolarHBondContact OD2-NE 3.36Å; D66-R70 IonicContact OD2-NH2 2.67Å; D66-R70 PolarHBondContact OD2-NH2 2.91Å; D66-R70 VanDerWaalsContact OD2-NH2 3.13Å; C67-R70 PolarHBondContact O-N 3.45Å; R70-V73 PolarHBondContact O-N 2.67Å; R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.33Å |
| 71 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -45 | 176.5 | 179.1 | 58.4 | 0 | 0 | 0 | 111.5 | V16 L19 A20 E23 C67 R68 V73 A74 H75 V104 L106 | V16-L71 HydrophobicContact CG1-CD1 4.02Å; L19-L71 HydrophobicContact CB-CB 4.06Å; L19-L71 HydrophobicContact CB-CD1 3.77Å; L19-L71 HydrophobicContact CB-CG 4.46Å; A20-L71 HydrophobicContact CB-CD1 4.15Å; A20-L71 HydrophobicContact CB-CD2 4.21Å; E23-L71 WeakPolarHBondContact OE2-CD2 3.41Å; C67-L71 WeakPolarHBondContact O-CB 3.35Å; C67-L71 PolarHBondContact O-N 3.25Å; R68-L71 PolarHBondContact O-N 2.94Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.03Å; L71-A74 PolarHBondContact O-N 3.28Å; L71-H75 VanDerWaalsContact O-CB 3.27Å; L71-H75 WeakPolarHBondContact O-CB 3.4Å; L71-H75 PolarHBondContact O-N 3.43Å; L71-V104 HydrophobicContact CD1-CG1 4.19Å; L71-V104 HydrophobicContact CD2-CG1 3.81Å; L71-V104 HydrophobicContact CG-CG1 4.09Å; L71-L106 HydrophobicContact CD2-CD2 4.35Å; L71-L106 HydrophobicContact CG-CD2 4.19Å |
| 72 | T | 97.1 | Very high | 96.7 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | R68 R69 H75 A76 | R68-T72 WeakPolarHBondContact O-CB 3.33Å; R68-T72 PolarHBondContact O-N 3.21Å; R68-T72 PolarHBondContact O-OG1 3Å; R69-T72 PolarHBondContact O-N 3.01Å; T72-H75 PolarHBondContact O-N 3.12Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.4Å |
| 73 | V | 97.9 | Very high | 96.8 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | R69 R70 L71 H75 A76 D77 | R69-V73 WeakPolarHBondContact O-CG2 3.43Å; R69-V73 PolarHBondContact O-N 2.59Å; R69-V73 VanDerWaalsContact O-N 3.08Å; R70-V73 PolarHBondContact O-N 2.67Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.03Å; V73-H75 VanDerWaalsContact C-N 3.33Å; V73-H75 PolarHBondContact O-N 3.38Å; V73-A76 PolarHBondContact O-N 2.71Å; V73-D77 VanDerWaalsContact O-CB 3.28Å; V73-D77 WeakPolarHBondContact O-CB 3.4Å; V73-D77 PolarHBondContact O-N 2.99Å |
| 74 | A | 98.3 | Very high | 97 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I15 V16 L19 R70 L71 L78 | I15-A74 HydrophobicContact CG2-CB 3.89Å; V16-A74 HydrophobicContact CG2-CB 4.01Å; V16-A74 WeakPolarHBondContact CG2-O 3.41Å; L19-A74 HydrophobicContact CD1-CB 3.62Å; R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.33Å; L71-A74 PolarHBondContact O-N 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.15Å; A74-L78 PolarHBondContact O-N 3.43Å |
| 75 | H | 98.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -51 | 174.9 | -178.4 | -73.8 | 0 | 0 | 0 | 110.6 | L71 T72 V73 D77 L78 L79 L101 L106 | L71-H75 VanDerWaalsContact O-CB 3.27Å; L71-H75 WeakPolarHBondContact O-CB 3.4Å; L71-H75 PolarHBondContact O-N 3.43Å; T72-H75 PolarHBondContact O-N 3.12Å; V73-H75 VanDerWaalsContact C-N 3.33Å; V73-H75 PolarHBondContact O-N 3.38Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 PolarHBondContact O-N 3.48Å; H75-L78 PolarHBondContact O-N 3.49Å; H75-L79 WeakPolarHBondContact O-CB 3.36Å; H75-L79 PolarHBondContact O-N 3.25Å; H75-L101 HydrophobicContact CB-CD2 4.35Å; H75-L101 VanDerWaalsContact CD2-CD2 3.43Å; H75-L101 WeakPolarHBondContact CD2-CD2 2.81Å; H75-L101 PolarHBondContact NE2-O 3.34Å; H75-L101 VanDerWaalsContact NE2-O 3.08Å; H75-L101 WeakPolarHBondContact O-CD2 3.44Å; H75-L106 HydrophobicContact CB-CD1 4.07Å |
| 76 | A | 97.9 | Very high | 97.1 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T72 V73 L79 Q80 | T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.4Å; V73-A76 PolarHBondContact O-N 2.71Å; A76-L79 PolarHBondContact O-N 2.95Å; A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 PolarHBondContact O-N 3.46Å |
| 77 | D | 98.2 | Very high | 97.2 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177.5 | 177 | 47.7 | 0 | 0 | 0 | 112.8 | K12 V73 H75 L81 | K12-D77 WeakPolarHBondContact CD-OD2 3.5Å; K12-D77 IonicContact NZ-OD1 3.05Å; K12-D77 PolarHBondContact NZ-OD1 3.27Å; K12-D77 IonicContact NZ-OD2 3.39Å; K12-D77 PolarHBondContact NZ-OD2 2.89Å; V73-D77 VanDerWaalsContact O-CB 3.28Å; V73-D77 WeakPolarHBondContact O-CB 3.4Å; V73-D77 PolarHBondContact O-N 2.99Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 PolarHBondContact O-N 3.48Å; D77-L81 PolarHBondContact O-N 2.99Å |
| 78 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 173.4 | 177.1 | 61.9 | 0 | 0 | 0 | 111.5 | K12 V16 A74 H75 L81 L82 A97 L101 | K12-L78 HydrophobicContact CB-CB 4.29Å; K12-L78 HydrophobicContact CB-CD1 3.74Å; V16-L78 HydrophobicContact CB-CD2 4.34Å; V16-L78 HydrophobicContact CG2-CB 4.11Å; V16-L78 HydrophobicContact CG2-CD2 3.84Å; A74-L78 WeakPolarHBondContact O-CB 3.15Å; A74-L78 PolarHBondContact O-N 3.43Å; H75-L78 PolarHBondContact O-N 3.49Å; L78-L81 PolarHBondContact O-N 3.46Å; L78-L82 HydrophobicContact CD1-CD2 4.43Å; L78-L82 HydrophobicContact CD1-CG 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.15Å; L78-A97 HydrophobicContact CD1-CB 4.18Å; L78-A97 HydrophobicContact CD2-CB 4.4Å; L78-L101 HydrophobicContact CB-CD2 4.05Å; L78-L101 HydrophobicContact CD2-CD1 4.44Å; L78-L101 HydrophobicContact CD2-CD2 3.82Å; L78-L101 HydrophobicContact CD2-CG 3.91Å; L78-L101 HydrophobicContact CG-CD1 4.17Å; L78-L101 HydrophobicContact CG-CD2 4.01Å; L78-L101 HydrophobicContact CG-CG 4.15Å |
| 79 | L | 98 | Very high | 97.4 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 177.1 | 177.9 | 63.3 | 0 | 0 | 0 | 111.1 | H75 A76 L81 L82 E83 L101 | H75-L79 WeakPolarHBondContact O-CB 3.36Å; H75-L79 PolarHBondContact O-N 3.25Å; A76-L79 PolarHBondContact O-N 2.95Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.92Å; L79-L82 PolarHBondContact O-N 2.94Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L79-E83 WeakPolarHBondContact O-CG 3.26Å; L79-E83 PolarHBondContact O-N 3.24Å; L79-L101 HydrophobicContact CB-CD1 4.07Å; L79-L101 HydrophobicContact CD1-CD1 4.08Å |
| 80 | Q | 98.3 | Very high | 97.4 | Very high | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.2 | -38.3 | 178.3 | -174.5 | 178.9 | 9.5 | 0 | 0 | 112 | A76 E83 T84 | A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 PolarHBondContact O-N 3.46Å; Q80-E83 PolarHBondContact O-N 3Å; Q80-T84 PolarHBondContact O-N 3.38Å; Q80-T84 PolarHBondContact O-OG1 3.42Å |
| 81 | L | 97.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.1 | 179 | 65.1 | 0 | 0 | 0 | 111.2 | Q8 I9 K12 D77 L78 L79 E83 T84 E85 | Q8-L81 HydrophobicContact CB-CD2 4.28Å; Q8-L81 HydrophobicContact CG-CD2 3.88Å; I9-L81 HydrophobicContact CG1-CD2 3.84Å; I9-L81 HydrophobicContact CG1-CG 4.29Å; K12-L81 HydrophobicContact CD-CB 4.29Å; K12-L81 HydrophobicContact CD-CD2 3.65Å; K12-L81 HydrophobicContact CG-CD2 4.47Å; D77-L81 PolarHBondContact O-N 2.99Å; L78-L81 PolarHBondContact O-N 3.46Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-L81 PolarHBondContact O-N 2.92Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.17Å; L81-T84 PolarHBondContact O-N 3.39Å; L81-E85 HydrophobicContact CD1-CG 3.76Å; L81-E85 HydrophobicContact CG-CG 4.34Å; L81-E85 WeakPolarHBondContact O-CB 3.44Å; L81-E85 WeakPolarHBondContact O-CG 3.27Å; L81-E85 PolarHBondContact O-N 3.05Å |
| 82 | L | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.5 | -64.6 | -169.1 | 0 | 0 | 0 | 112.3 | I9 L78 L79 T84 A86 Y94 A97 R98 L101 | I9-L82 HydrophobicContact CD1-CD2 4.13Å; I9-L82 HydrophobicContact CG1-CD2 4.15Å; I9-L82 HydrophobicContact CG2-CD2 4.03Å; L78-L82 HydrophobicContact CD1-CD2 4.43Å; L78-L82 HydrophobicContact CD1-CG 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.15Å; L79-L82 PolarHBondContact O-N 2.94Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L82-T84 VanDerWaalsContact C-N 3.34Å; L82-A86 PolarHBondContact O-N 3.02Å; L82-Y94 HydrophobicContact CB-CE1 4.41Å; L82-Y94 HydrophobicContact CB-CE2 3.76Å; L82-Y94 HydrophobicContact CD1-CE1 4.41Å; L82-Y94 HydrophobicContact CD2-CD2 3.66Å; L82-Y94 HydrophobicContact CD2-CE2 3.77Å; L82-Y94 HydrophobicContact CD2-CG 4.04Å; L82-Y94 HydrophobicContact CG-CE2 4.27Å; L82-Y94 WeakPolarHBondContact O-CE2 3.41Å; L82-Y94 PolarHBondContact O-OH 3.2Å; L82-A97 HydrophobicContact CD1-CB 3.79Å; L82-A97 HydrophobicContact CD2-CB 3.85Å; L82-A97 HydrophobicContact CG-CB 4.33Å; L82-R98 HydrophobicContact CD1-CB 4.27Å; L82-L101 HydrophobicContact CD1-CD1 3.67Å |
| 83 | E | 97.2 | Very high | 97.3 | Very high | 126 Ų | 126 | 60.2 Ų | 60.2 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 174.1 | -71.2 | 174.4 | 171.5 | 0 | 0 | 111.9 | L79 Q80 L81 | L79-E83 WeakPolarHBondContact O-CG 3.26Å; L79-E83 PolarHBondContact O-N 3.24Å; Q80-E83 PolarHBondContact O-N 3Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.17Å |
| 84 | T | 97.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.2 | -35.2 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | Q80 L81 L82 | Q80-T84 PolarHBondContact O-N 3.38Å; Q80-T84 PolarHBondContact O-OG1 3.42Å; L81-T84 PolarHBondContact O-N 3.39Å; L82-T84 VanDerWaalsContact C-N 3.34Å |
| 85 | E | 96.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 37.1 | -175.9 | -57.2 | -68.6 | -176.9 | 0 | 0 | 111.8 | R5 L81 D87 L88 Y94 | R5-E85 VanDerWaalsContact CD-OE2 3.29Å; R5-E85 WeakPolarHBondContact CD-OE2 3.37Å; R5-E85 IonicContact CZ-OE2 3.24Å; R5-E85 IonicContact NE-OE2 2.8Å; R5-E85 IonicContact NH1-OE2 2.71Å; R5-E85 PolarHBondContact NH1-OE2 3.1Å; L81-E85 HydrophobicContact CD1-CG 3.76Å; L81-E85 HydrophobicContact CG-CG 4.34Å; L81-E85 WeakPolarHBondContact O-CB 3.44Å; L81-E85 WeakPolarHBondContact O-CG 3.27Å; L81-E85 PolarHBondContact O-N 3.05Å; E85-D87 PolarHBondContact O-N 3.3Å; E85-D87 VanDerWaalsContact O-N 3.16Å; E85-L88 HydrophobicContact CB-CD1 4.17Å; E85-L88 WeakPolarHBondContact O-CB 3.4Å; E85-L88 PolarHBondContact O-N 2.94Å; E85-Y94 WeakPolarHBondContact O-CE2 3.49Å |
| 86 | A | 96 | Very high | 97.3 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -62.4 | -21 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | L82 L88 A89 | L82-A86 PolarHBondContact O-N 3.02Å; A86-L88 PolarHBondContact O-N 3.16Å; A86-A89 VanDerWaalsContact O-CB 3.28Å; A86-A89 WeakPolarHBondContact O-CB 3.44Å; A86-A89 PolarHBondContact O-N 3.21Å |
| 87 | D | 96.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 57% | 0.567 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -63.2 | -19.2 | 171.3 | 63 | -56.3 | 0 | 0 | 0 | 113 | R5 E85 | R5-D87 IonicContact CZ-OD2 3.61Å; R5-D87 IonicContact NH1-OD1 2.79Å; R5-D87 PolarHBondContact NH1-OD1 3.06Å; R5-D87 IonicContact NH1-OD2 2.78Å; R5-D87 PolarHBondContact NH1-OD2 3.19Å; R5-D87 IonicContact NH2-OD2 3.79Å; R5-D87 PolarHBondContact NH2-OD2 3.24Å; E85-D87 PolarHBondContact O-N 3.3Å; E85-D87 VanDerWaalsContact O-N 3.16Å |
| 88 | L | 96.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -94.1 | 10.1 | 177.7 | -58.8 | 179.3 | 0 | 0 | 0 | 113.6 | R5 I6 I9 E85 A86 E90 S91 Y94 | R5-L88 HydrophobicContact CB-CD1 3.77Å; I6-L88 HydrophobicContact CD1-CB 4.4Å; I6-L88 HydrophobicContact CD1-CD1 3.91Å; I6-L88 HydrophobicContact CD1-CD2 4.33Å; I6-L88 HydrophobicContact CD1-CG 4.46Å; I6-L88 HydrophobicContact CG1-CD1 4.31Å; I9-L88 HydrophobicContact CD1-CD1 4.16Å; E85-L88 HydrophobicContact CB-CD1 4.17Å; E85-L88 WeakPolarHBondContact O-CB 3.4Å; E85-L88 PolarHBondContact O-N 2.94Å; A86-L88 PolarHBondContact O-N 3.16Å; L88-E90 PolarHBondContact O-N 2.93Å; L88-S91 WeakPolarHBondContact O-CB 3.42Å; L88-S91 PolarHBondContact O-N 2.72Å; L88-S91 PolarHBondContact O-OG 2.92Å; L88-Y94 HydrophobicContact CB-CD2 4.24Å; L88-Y94 WeakPolarHBondContact O-CB 3.42Å |
| 89 | A | 96.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 69.5 Ų | 69.5 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A86 S91 Y94 K95 | A86-A89 VanDerWaalsContact O-CB 3.28Å; A86-A89 WeakPolarHBondContact O-CB 3.44Å; A86-A89 PolarHBondContact O-N 3.21Å; A89-S91 VanDerWaalsContact C-N 3.35Å; A89-Y94 HydrophobicContact CB-CD1 4.31Å; A89-Y94 HydrophobicContact CB-CE1 4.18Å; A89-K95 WeakPolarHBondContact O-CE 3.16Å |
| 90 | E | 96.6 | Very high | 97.3 | Very high | 148 Ų | 148 | 67.3 Ų | 67.3 | 69% | 0.692 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12 | 178.4 | -69.1 | -52.6 | 137.3 | 0 | 0 | 114.4 | L88 K95 | L88-E90 PolarHBondContact O-N 2.93Å; E90-K95 PolarHBondContact O-NZ 3.05Å; E90-K95 WeakPolarHBondContact OE2-CE 3.23Å; E90-K95 IonicContact OE2-NZ 3.44Å; E90-K95 PolarHBondContact OE2-NZ 3.3Å |
| 91 | S | 96.7 | Very high | 97.2 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -69.3 | 144.3 | 176.3 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | I6 L88 A89 E93 Y94 K95 | I6-S91 WeakPolarHBondContact CD1-OG 3.43Å; L88-S91 WeakPolarHBondContact O-CB 3.42Å; L88-S91 PolarHBondContact O-N 2.72Å; L88-S91 PolarHBondContact O-OG 2.92Å; A89-S91 VanDerWaalsContact C-N 3.35Å; S91-E93 PolarHBondContact O-N 3.42Å; S91-Y94 PolarHBondContact O-N 3.45Å; S91-Y94 VanDerWaalsContact OG-CB 3.23Å; S91-Y94 WeakPolarHBondContact OG-CB 3.28Å; S91-Y94 PolarHBondContact OG-N 3.09Å; S91-K95 WeakPolarHBondContact O-CG 3.4Å; S91-K95 PolarHBondContact O-N 3.24Å; S91-K95 VanDerWaalsContact O-N 3.09Å |
| 92 | E | 97.1 | Very high | 97.1 | Very high | 137 Ų | 137 | 66.2 Ų | 66.2 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60 | -35.3 | 177.1 | -67 | -56.2 | 131.8 | 0 | 0 | 111.7 | K95 E96 | E92-K95 PolarHBondContact O-N 3.29Å; E92-E96 VanDerWaalsContact O-CB 3.31Å; E92-E96 WeakPolarHBondContact O-CB 3.36Å; E92-E96 PolarHBondContact O-N 2.78Å |
| 93 | E | 97.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.5 | -70.9 | 85.2 | 176.5 | 0 | 0 | 113.6 | I6 I9 K10 S91 A97 | I6-E93 HydrophobicContact CD1-CB 4.45Å; I6-E93 HydrophobicContact CG2-CB 4.1Å; I6-E93 VanDerWaalsContact CG2-CD 3.48Å; I6-E93 HydrophobicContact CG2-CG 3.59Å; I9-E93 HydrophobicContact CG2-CB 4.18Å; I9-E93 WeakPolarHBondContact CG2-O 3.45Å; K10-E93 HydrophobicContact CD-CG 4.05Å; K10-E93 WeakPolarHBondContact CE-OE1 3.44Å; K10-E93 HydrophobicContact CG-CB 4.43Å; K10-E93 HydrophobicContact CG-CG 3.68Å; K10-E93 IonicContact NZ-OE1 2.84Å; K10-E93 PolarHBondContact NZ-OE1 2.91Å; S91-E93 PolarHBondContact O-N 3.42Å; E93-A97 VanDerWaalsContact O-CB 3.27Å; E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 3.38Å |
| 94 | Y | 97.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 65 Ų | 65 | 11% | 0.106 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 177 | -170.8 | -70.6 | 0 | 0 | 0 | 110.5 | I9 L82 E85 L88 A89 S91 E96 A97 R98 | I9-Y94 HydrophobicContact CD1-CD2 4.22Å; L82-Y94 HydrophobicContact CB-CE1 4.41Å; L82-Y94 HydrophobicContact CB-CE2 3.76Å; L82-Y94 HydrophobicContact CD1-CE1 4.41Å; L82-Y94 HydrophobicContact CD2-CD2 3.66Å; L82-Y94 HydrophobicContact CD2-CE2 3.77Å; L82-Y94 HydrophobicContact CD2-CG 4.04Å; L82-Y94 HydrophobicContact CG-CE2 4.27Å; L82-Y94 WeakPolarHBondContact O-CE2 3.41Å; L82-Y94 PolarHBondContact O-OH 3.2Å; E85-Y94 WeakPolarHBondContact O-CE2 3.49Å; L88-Y94 HydrophobicContact CB-CD2 4.24Å; L88-Y94 WeakPolarHBondContact O-CB 3.42Å; A89-Y94 HydrophobicContact CB-CD1 4.31Å; A89-Y94 HydrophobicContact CB-CE1 4.18Å; S91-Y94 PolarHBondContact O-N 3.45Å; S91-Y94 VanDerWaalsContact OG-CB 3.23Å; S91-Y94 WeakPolarHBondContact OG-CB 3.28Å; S91-Y94 PolarHBondContact OG-N 3.09Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.07Å; Y94-A97 WeakPolarHBondContact O-CB 3.42Å; Y94-A97 PolarHBondContact O-N 3.44Å; Y94-R98 PolarHBondContact O-N 2.7Å |
| 95 | K | 98.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 178.6 | -69.8 | 171.4 | 179.5 | 161.2 | 0 | 111.5 | A89 E90 S91 E92 R98 K99 | A89-K95 WeakPolarHBondContact O-CE 3.16Å; E90-K95 PolarHBondContact O-NZ 3.05Å; E90-K95 WeakPolarHBondContact OE2-CE 3.23Å; E90-K95 IonicContact OE2-NZ 3.44Å; E90-K95 PolarHBondContact OE2-NZ 3.3Å; S91-K95 WeakPolarHBondContact O-CG 3.4Å; S91-K95 PolarHBondContact O-N 3.24Å; S91-K95 VanDerWaalsContact O-N 3.09Å; E92-K95 PolarHBondContact O-N 3.29Å; K95-R98 PolarHBondContact O-N 2.66Å; K95-K99 WeakPolarHBondContact O-CB 3.46Å; K95-K99 PolarHBondContact O-N 2.83Å |
| 96 | E | 98.1 | Very high | 95 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.9 | 178.2 | 60.5 | -169.4 | 0 | 0 | 112 | K17 E92 Y94 R98 K99 V100 | K17-E96 WeakPolarHBondContact CE-OE1 3.35Å; K17-E96 IonicContact NZ-OE1 3.3Å; K17-E96 PolarHBondContact NZ-OE1 3.47Å; E92-E96 VanDerWaalsContact O-CB 3.31Å; E92-E96 WeakPolarHBondContact O-CB 3.36Å; E92-E96 PolarHBondContact O-N 2.78Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.07Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 2.96Å; E96-K99 PolarHBondContact O-N 3.37Å; E96-V100 VanDerWaalsContact O-CG2 3.26Å; E96-V100 WeakPolarHBondContact O-CG2 3.38Å; E96-V100 PolarHBondContact O-N 3.04Å |
| 97 | A | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | I9 T13 L78 L82 E93 Y94 V100 L101 | I9-A97 HydrophobicContact CG2-CB 3.68Å; T13-A97 HydrophobicContact CG2-CB 4.44Å; T13-A97 WeakPolarHBondContact OG1-CB 3.49Å; L78-A97 HydrophobicContact CD1-CB 4.18Å; L78-A97 HydrophobicContact CD2-CB 4.4Å; L82-A97 HydrophobicContact CD1-CB 3.79Å; L82-A97 HydrophobicContact CD2-CB 3.85Å; L82-A97 HydrophobicContact CG-CB 4.33Å; E93-A97 VanDerWaalsContact O-CB 3.27Å; E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 3.38Å; Y94-A97 WeakPolarHBondContact O-CB 3.42Å; Y94-A97 PolarHBondContact O-N 3.44Å; A97-V100 WeakPolarHBondContact O-CB 3.29Å; A97-V100 PolarHBondContact O-N 3.36Å; A97-L101 WeakPolarHBondContact O-CG 3.5Å; A97-L101 PolarHBondContact O-N 3.07Å |
| 98 | R | 97.9 | Very high | 90.7 | Very high | 112 Ų | 112 | 76 Ų | 76 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 177 | -174.2 | 58.1 | 175.7 | -129.6 | 3.2 | 111.8 | L82 Y94 K95 E96 V100 L101 D102 | L82-R98 HydrophobicContact CD1-CB 4.27Å; Y94-R98 PolarHBondContact O-N 2.7Å; K95-R98 PolarHBondContact O-N 2.66Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 2.96Å; R98-V100 PolarHBondContact O-N 3.11Å; R98-L101 WeakPolarHBondContact O-CB 3.3Å; R98-L101 PolarHBondContact O-N 3.05Å; R98-L101 VanDerWaalsContact O-N 3.13Å; R98-D102 IonicContact NE-OD1 2.83Å; R98-D102 IonicContact NE-OD2 2.66Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.97Å |
| 99 | K | 97.8 | Very high | 90.5 | Very high | 141 Ų | 141 | 78.9 Ų | 78.9 | 61% | 0.613 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.3 | -39.1 | 175.1 | -175.4 | -177.8 | 179.6 | -178 | 0 | 112.2 | K95 E96 D102 S103 | K95-K99 WeakPolarHBondContact O-CB 3.46Å; K95-K99 PolarHBondContact O-N 2.83Å; E96-K99 PolarHBondContact O-N 3.37Å; K99-D102 PolarHBondContact O-N 3.33Å; K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 2.8Å; K99-S103 PolarHBondContact O-OG 3.03Å |
| 100 | V | 97.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 81.2 Ų | 81.2 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | T13 V16 K17 E96 A97 R98 D102 S103 V104 | T13-V100 HydrophobicContact CG2-CB 4.19Å; T13-V100 HydrophobicContact CG2-CG1 4.37Å; T13-V100 HydrophobicContact CG2-CG2 3.84Å; V16-V100 HydrophobicContact CB-CG1 4.18Å; V16-V100 HydrophobicContact CG1-CG1 3.7Å; K17-V100 HydrophobicContact CD-CG2 4.23Å; K17-V100 HydrophobicContact CG-CG1 3.93Å; K17-V100 HydrophobicContact CG-CG2 4.01Å; E96-V100 VanDerWaalsContact O-CG2 3.26Å; E96-V100 WeakPolarHBondContact O-CG2 3.38Å; E96-V100 PolarHBondContact O-N 3.04Å; A97-V100 WeakPolarHBondContact O-CB 3.29Å; A97-V100 PolarHBondContact O-N 3.36Å; R98-V100 PolarHBondContact O-N 3.11Å; V100-D102 VanDerWaalsContact C-N 3.26Å; V100-D102 PolarHBondContact O-N 2.71Å; V100-S103 PolarHBondContact O-N 2.84Å; V100-S103 VanDerWaalsContact O-N 3.11Å; V100-S103 PolarHBondContact O-OG 2.99Å; V100-V104 WeakPolarHBondContact O-CG2 3.26Å; V100-V104 PolarHBondContact O-N 3.21Å |
| 101 | L | 97.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 176.3 | -70.3 | 173.3 | 0 | 0 | 0 | 111.8 | H75 L78 L79 L82 A97 R98 S103 V104 | H75-L101 HydrophobicContact CB-CD2 4.35Å; H75-L101 VanDerWaalsContact CD2-CD2 3.43Å; H75-L101 WeakPolarHBondContact CD2-CD2 2.81Å; H75-L101 PolarHBondContact NE2-O 3.34Å; H75-L101 VanDerWaalsContact NE2-O 3.08Å; H75-L101 WeakPolarHBondContact O-CD2 3.44Å; L78-L101 HydrophobicContact CB-CD2 4.05Å; L78-L101 HydrophobicContact CD2-CD1 4.44Å; L78-L101 HydrophobicContact CD2-CD2 3.82Å; L78-L101 HydrophobicContact CD2-CG 3.91Å; L78-L101 HydrophobicContact CG-CD1 4.17Å; L78-L101 HydrophobicContact CG-CD2 4.01Å; L78-L101 HydrophobicContact CG-CG 4.15Å; L79-L101 HydrophobicContact CB-CD1 4.07Å; L79-L101 HydrophobicContact CD1-CD1 4.08Å; L82-L101 HydrophobicContact CD1-CD1 3.67Å; A97-L101 WeakPolarHBondContact O-CG 3.5Å; A97-L101 PolarHBondContact O-N 3.07Å; R98-L101 WeakPolarHBondContact O-CB 3.3Å; R98-L101 PolarHBondContact O-N 3.05Å; R98-L101 VanDerWaalsContact O-N 3.13Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.1Å; L101-V104 PolarHBondContact O-N 2.79Å |
| 102 | D | 95.4 | Very high | 89.4 | Confident | 111 Ų | 111 | 80.6 Ų | 80.6 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.3 | -28.1 | 179.4 | -62.1 | -23.1 | 0 | 0 | 0 | 112.3 | R98 K99 V100 | R98-D102 IonicContact NE-OD1 2.83Å; R98-D102 IonicContact NE-OD2 2.66Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.97Å; K99-D102 PolarHBondContact O-N 3.33Å; V100-D102 VanDerWaalsContact C-N 3.26Å; V100-D102 PolarHBondContact O-N 2.71Å |
| 103 | S | 93.9 | Very high | 88.9 | Confident | 83 Ų | 83 | 77.1 Ų | 77.1 | 58% | 0.58 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -78.4 | -21.5 | 178.1 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | K99 V100 L101 K105 | K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 2.8Å; K99-S103 PolarHBondContact O-OG 3.03Å; V100-S103 PolarHBondContact O-N 2.84Å; V100-S103 VanDerWaalsContact O-N 3.11Å; V100-S103 PolarHBondContact O-OG 2.99Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.1Å; S103-K105 PolarHBondContact O-N 3.44Å |
| 104 | V | 92.3 | Very high | 88.3 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 11% | 0.109 | 42% | 0.424 | C | S | . | . | trans | -83 | 113.3 | 179.5 | 172.9 | 0 | 0 | 0 | 0 | 109 | V16 A20 L71 V100 L101 L106 | V16-V104 HydrophobicContact CG1-CG2 3.82Å; A20-V104 HydrophobicContact CB-CG2 3.97Å; L71-V104 HydrophobicContact CD1-CG1 4.19Å; L71-V104 HydrophobicContact CD2-CG1 3.81Å; L71-V104 HydrophobicContact CG-CG1 4.09Å; V100-V104 WeakPolarHBondContact O-CG2 3.26Å; V100-V104 PolarHBondContact O-N 3.21Å; L101-V104 PolarHBondContact O-N 2.79Å; V104-L106 HydrophobicContact CG1-CD2 3.78Å; V104-L106 HydrophobicContact CG1-CG 4.11Å; V104-L106 PolarHBondContact O-N 3.39Å | ||
| 105 | K | 80.5 | Confident | 87.6 | Confident | 177 Ų | 177 | 82.6 Ų | 82.6 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | trans | -85 | 101.3 | 173.3 | -63.5 | -172.8 | -178.9 | -175.9 | 0 | 109.6 | S103 E107 | S103-K105 PolarHBondContact O-N 3.44Å; K105-E107 PolarHBondContact O-N 3.1Å | ||
| 106 | L | 76.4 | Confident | 86.8 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | trans | -83.8 | 97.6 | 167.2 | -58.6 | 178.1 | 0 | 0 | 0 | 107.6 | L71 H75 V104 | L71-L106 HydrophobicContact CD2-CD2 4.35Å; L71-L106 HydrophobicContact CG-CD2 4.19Å; H75-L106 HydrophobicContact CB-CD1 4.07Å; V104-L106 HydrophobicContact CG1-CD2 3.78Å; V104-L106 HydrophobicContact CG1-CG 4.11Å; V104-L106 PolarHBondContact O-N 3.39Å | ||
| 107 | E | 58.5 | Low | 85.9 | Confident | 145 Ų | 145 | 83 Ų | 83 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | trans | -73.6 | 130 | 168 | -67.7 | -172.1 | 165 | 0 | 0 | 108.8 | R68 K105 | R68-E107 PolarHBondContact NH1-O 3.4Å; R68-E107 PolarHBondContact NH2-O 3.11Å; K105-E107 PolarHBondContact O-N 3.1Å | ||
| 108 | G | 44.8 | Very low | 84.8 | Confident | 130 Ų | 130 | 90.5 Ų | 90.5 | 100% | 1.34 | 50% | 0.502 | S | S | * | . | trans | -65.4 | 0 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R68 | R68-G108 PolarHBondContact NH2-OXT 2.97Š|
Retrieved 108 of 108 residues in 98.5 ms
(Link to these results)