| 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 | 52.2 | Low | 73.3 | Confident | 229 Ų | 229 | 74.7 Ų | 74.7 | 100% | 1.128 | 42% | 0.418 | S | S | * | . | 0 | 67.4 | 0 | -71.6 | 168 | 62.8 | 0 | 0 | 109.8 | |||||
| 2 | L | 61.6 | Low | 74.1 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | trans | -102 | 18.3 | 177 | -66.7 | -171 | 0 | 0 | 0 | 112.9 | S4 E5 R6 K43 D47 | L2-S4 PolarHBondContact O-N 3.36Å; L2-E5 PolarHBondContact O-N 3.21Å; L2-R6 HydrophobicContact CB-CG 4.36Å; L2-R6 VanDerWaalsContact O-CB 3.29Å; L2-R6 WeakPolarHBondContact O-CB 3.47Å; L2-R6 WeakPolarHBondContact O-CG 3.2Å; L2-R6 PolarHBondContact O-N 3.31Å; L2-K43 HydrophobicContact CD2-CB 4.32Å; L2-K43 HydrophobicContact CD2-CD 4.45Å; L2-D47 HydrophobicContact CD1-CB 3.14Å; L2-D47 VanDerWaalsContact CD1-OD1 3.25Å; L2-D47 WeakPolarHBondContact CD1-OD1 3.48Å; L2-D47 HydrophobicContact CG-CB 4.36Å | ||
| 3 | G | 65.5 | Low | 74.2 | Confident | 56 Ų | 56 | 65 Ų | 65 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.8 | -40 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A7 | G3-A7 VanDerWaalsContact O-CB 3.24Å; G3-A7 WeakPolarHBondContact O-CB 3.34Å; G3-A7 PolarHBondContact O-N 3.32Å |
| 4 | S | 74.8 | Confident | 74.6 | Confident | 89 Ų | 89 | 66 Ų | 66 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.5 | -48.1 | 178.9 | -57 | 0 | 0 | 0 | 0 | 112.3 | L2 A7 V8 | L2-S4 PolarHBondContact O-N 3.36Å; S4-A7 PolarHBondContact O-N 3.22Å; S4-V8 VanDerWaalsContact O-CG2 3.32Å; S4-V8 WeakPolarHBondContact O-CG2 3.35Å; S4-V8 PolarHBondContact O-N 3.47Å |
| 5 | E | 78.4 | Confident | 75 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 177.3 | -71.7 | 92.2 | 127.7 | 0 | 0 | 113 | L2 V8 V9 A40 K43 V44 | L2-E5 PolarHBondContact O-N 3.21Å; E5-V8 PolarHBondContact O-N 3.23Å; E5-V9 VanDerWaalsContact O-CG2 3.26Å; E5-V9 WeakPolarHBondContact O-CG2 3.5Å; E5-V9 PolarHBondContact O-N 2.89Å; E5-V9 VanDerWaalsContact O-N 3.11Å; E5-A40 HydrophobicContact CB-CB 3.9Å; E5-A40 HydrophobicContact CG-CB 3.88Å; E5-K43 HydrophobicContact CG-CD 4.14Å; E5-K43 WeakPolarHBondContact OE1-CD 3.42Å; E5-K43 IonicContact OE1-NZ 2.8Å; E5-K43 PolarHBondContact OE1-NZ 3.36Å; E5-V44 HydrophobicContact CB-CG2 3.96Å |
| 6 | R | 75.3 | Confident | 75 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.8 | -78.5 | 174.7 | 92.4 | 145.8 | -4.1 | 111 | L2 V8 V9 E10 V44 E51 | L2-R6 HydrophobicContact CB-CG 4.36Å; L2-R6 VanDerWaalsContact O-CB 3.29Å; L2-R6 WeakPolarHBondContact O-CB 3.47Å; L2-R6 WeakPolarHBondContact O-CG 3.2Å; L2-R6 PolarHBondContact O-N 3.31Å; R6-V8 PolarHBondContact O-N 2.94Å; R6-V9 PolarHBondContact O-N 3.24Å; R6-E10 WeakPolarHBondContact O-CB 3.29Å; R6-E10 WeakPolarHBondContact O-CG 3.45Å; R6-E10 PolarHBondContact O-N 2.96Å; R6-V44 HydrophobicContact CG-CG1 4.32Å; R6-V44 HydrophobicContact CG-CG2 3.82Å; R6-E51 IonicContact NH1-OE2 3.07Å |
| 7 | A | 79.8 | Confident | 74.9 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G3 S4 V9 E10 E11 | G3-A7 VanDerWaalsContact O-CB 3.24Å; G3-A7 WeakPolarHBondContact O-CB 3.34Å; G3-A7 PolarHBondContact O-N 3.32Å; S4-A7 PolarHBondContact O-N 3.22Å; A7-V9 VanDerWaalsContact C-N 3.28Å; A7-V9 PolarHBondContact O-N 3.35Å; A7-E10 PolarHBondContact O-N 3.25Å; A7-E11 WeakPolarHBondContact O-CB 3.46Å; A7-E11 PolarHBondContact O-N 3.02Å |
| 8 | V | 80.4 | Confident | 75.1 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | S4 E5 R6 W12 L37 A40 | S4-V8 VanDerWaalsContact O-CG2 3.32Å; S4-V8 WeakPolarHBondContact O-CG2 3.35Å; S4-V8 PolarHBondContact O-N 3.47Å; E5-V8 PolarHBondContact O-N 3.23Å; R6-V8 PolarHBondContact O-N 2.94Å; V8-W12 VanDerWaalsContact O-CB 3.25Å; V8-W12 WeakPolarHBondContact O-CB 3.37Å; V8-W12 PolarHBondContact O-N 3.23Å; V8-L37 HydrophobicContact CG1-CD1 3.95Å; V8-A40 HydrophobicContact CB-CB 4.49Å; V8-A40 HydrophobicContact CG1-CB 4.3Å |
| 9 | V | 77.2 | Confident | 74.8 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.024 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.3 | -38.7 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | E5 R6 A7 W12 L13 L37 A40 L41 V44 L60 | E5-V9 VanDerWaalsContact O-CG2 3.26Å; E5-V9 WeakPolarHBondContact O-CG2 3.5Å; E5-V9 PolarHBondContact O-N 2.89Å; E5-V9 VanDerWaalsContact O-N 3.11Å; R6-V9 PolarHBondContact O-N 3.24Å; A7-V9 VanDerWaalsContact C-N 3.28Å; A7-V9 PolarHBondContact O-N 3.35Å; V9-W12 PolarHBondContact O-N 3.34Å; V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.27Å; V9-L13 PolarHBondContact O-N 3.38Å; V9-L37 HydrophobicContact CG2-CD1 4.39Å; V9-A40 HydrophobicContact CG2-CB 4.23Å; V9-L41 HydrophobicContact CG1-CG 4.4Å; V9-L41 HydrophobicContact CG2-CB 4.45Å; V9-L41 HydrophobicContact CG2-CD1 4.05Å; V9-L41 HydrophobicContact CG2-CG 3.94Å; V9-V44 HydrophobicContact CG2-CG2 4.21Å; V9-L60 HydrophobicContact CG1-CD2 3.28Å |
| 10 | E | 78.1 | Confident | 74.8 | Confident | 80 Ų | 80 | 68 Ų | 68 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 176.8 | -77.3 | -172.9 | 143.3 | 0 | 0 | 112.8 | R6 A7 L13 S14 R56 | R6-E10 WeakPolarHBondContact O-CB 3.29Å; R6-E10 WeakPolarHBondContact O-CG 3.45Å; R6-E10 PolarHBondContact O-N 2.96Å; A7-E10 PolarHBondContact O-N 3.25Å; E10-L13 PolarHBondContact O-N 2.85Å; E10-S14 WeakPolarHBondContact O-CB 3.47Å; E10-S14 PolarHBondContact O-N 3.48Å; E10-S14 PolarHBondContact O-OG 3.09Å; E10-R56 IonicContact OE1-CZ 2.61Å; E10-R56 IonicContact OE1-NH1 2.88Å; E10-R56 PolarHBondContact OE1-NH1 3.32Å; E10-R56 IonicContact OE1-NH2 3.73Å; E10-R56 PolarHBondContact OE1-NH2 3.28Å |
| 11 | E | 83.2 | Confident | 74.5 | Confident | 133 Ų | 133 | 70.3 Ų | 70.3 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | 172.3 | -79.1 | -170.9 | 96.4 | 0 | 0 | 110.3 | A7 L13 S14 E15 | A7-E11 WeakPolarHBondContact O-CB 3.46Å; A7-E11 PolarHBondContact O-N 3.02Å; E11-L13 PolarHBondContact O-N 3.36Å; E11-S14 PolarHBondContact O-N 2.85Å; E11-E15 PolarHBondContact O-N 2.94Å |
| 12 | W | 82.4 | Confident | 75.5 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.019 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.3 | 176.8 | 77.5 | 0 | 0 | 0 | 112.7 | V8 V9 S14 E15 F16 Y27 L31 L37 L41 A63 | V8-W12 VanDerWaalsContact O-CB 3.25Å; V8-W12 WeakPolarHBondContact O-CB 3.37Å; V8-W12 PolarHBondContact O-N 3.23Å; V9-W12 PolarHBondContact O-N 3.34Å; W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.34Å; W12-E15 WeakPolarHBondContact O-CB 3.48Å; W12-E15 PolarHBondContact O-N 2.87Å; W12-F16 HydrophobicContact CH2-CB 4.32Å; W12-F16 HydrophobicContact CH2-CD1 4.47Å; W12-F16 HydrophobicContact CH2-CD2 4.31Å; W12-F16 HydrophobicContact CH2-CG 4.12Å; W12-F16 HydrophobicContact CZ2-CB 4.2Å; W12-F16 AromaticContact CZ2-CD2 3.93Å; W12-F16 HydrophobicContact CZ2-CD2 3.93Å; W12-F16 HydrophobicContact CZ2-CG 4.09Å; W12-F16 VanDerWaalsContact O-CB 3.27Å; W12-F16 WeakPolarHBondContact O-CB 3.3Å; W12-F16 PolarHBondContact O-N 3.4Å; W12-Y27 AromaticContact CD1-CZ 3.99Å; W12-Y27 HydrophobicContact CZ2-CE1 4.39Å; W12-Y27 AromaticContact NE1-CE1 3.37Å; W12-Y27 AromaticContact NE1-CZ 3.7Å; W12-Y27 PolarHBondContact NE1-OH 3.29Å; W12-L31 HydrophobicContact CZ2-CD1 3.76Å; W12-L37 HydrophobicContact CB-CD1 3.57Å; W12-L37 HydrophobicContact CB-CD2 4.28Å; W12-L37 HydrophobicContact CD2-CD1 4.14Å; W12-L37 HydrophobicContact CD2-CD2 3.7Å; W12-L37 HydrophobicContact CD2-CG 4.49Å; W12-L37 HydrophobicContact CG-CD1 3.63Å; W12-L37 HydrophobicContact CG-CD2 3.46Å; W12-L37 VanDerWaalsContact CG-CD2 3.46Å; W12-L37 HydrophobicContact CG-CG 4.18Å; W12-L41 HydrophobicContact CE3-CD1 4.47Å; W12-A63 HydrophobicContact CE3-CB 4.48Å; W12-A63 HydrophobicContact CH2-CB 3.13Å; W12-A63 HydrophobicContact CZ2-CB 4.2Å; W12-A63 HydrophobicContact CZ3-CB 3.29Å |
| 13 | L | 75.7 | Confident | 75.7 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.8 | -82.2 | 169 | 0 | 0 | 0 | 111.8 | V9 E10 E11 F16 K17 L59 L60 | V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.27Å; V9-L13 PolarHBondContact O-N 3.38Å; E10-L13 PolarHBondContact O-N 2.85Å; E11-L13 PolarHBondContact O-N 3.36Å; L13-F16 PolarHBondContact O-N 3.12Å; L13-K17 WeakPolarHBondContact O-CB 3.36Å; L13-K17 VanDerWaalsContact O-CG 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.48Å; L13-K17 PolarHBondContact O-N 3.38Å; L13-L59 HydrophobicContact CD2-CB 3.83Å; L13-L60 HydrophobicContact CD1-CD2 4.09Å |
| 14 | S | 79.6 | Confident | 75.8 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.9 | -43.5 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | E10 E11 W12 F16 K17 A18 | E10-S14 WeakPolarHBondContact O-CB 3.47Å; E10-S14 PolarHBondContact O-N 3.48Å; E10-S14 PolarHBondContact O-OG 3.09Å; E11-S14 PolarHBondContact O-N 2.85Å; W12-S14 VanDerWaalsContact C-N 3.31Å; W12-S14 PolarHBondContact O-N 3.34Å; S14-F16 VanDerWaalsContact C-N 3.35Å; S14-F16 PolarHBondContact O-N 3.4Å; S14-K17 PolarHBondContact O-N 3.01Å; S14-A18 WeakPolarHBondContact O-CB 3.47Å; S14-A18 PolarHBondContact O-N 3.34Å |
| 15 | E | 80.9 | Confident | 75.4 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54.4 | -51.7 | 168.8 | -107.6 | -176.4 | 57.1 | 0 | 0 | 110.3 | E11 W12 K17 A18 L19 Y27 K34 | E11-E15 PolarHBondContact O-N 2.94Å; W12-E15 WeakPolarHBondContact O-CB 3.48Å; W12-E15 PolarHBondContact O-N 2.87Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.01Å; E15-A18 PolarHBondContact O-N 3.02Å; E15-A18 VanDerWaalsContact O-N 3.12Å; E15-L19 WeakPolarHBondContact O-CG 2.97Å; E15-L19 PolarHBondContact O-N 3.08Å; E15-L19 VanDerWaalsContact O-N 3.15Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.46Å; E15-Y27 PolarHBondContact OE1-OH 3.31Å; E15-K34 VanDerWaalsContact CD-NZ 3.28Å; E15-K34 IonicContact OE1-NZ 2.88Å; E15-K34 PolarHBondContact OE1-NZ 3.46Å; E15-K34 IonicContact OE2-NZ 2.87Å; E15-K34 PolarHBondContact OE2-NZ 3.22Å |
| 16 | F | 75.4 | Confident | 74.9 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | -176 | -173.9 | -101.4 | 0 | 0 | 0 | 112.8 | W12 L13 S14 A18 L19 I24 Y27 L66 | W12-F16 HydrophobicContact CH2-CB 4.32Å; W12-F16 HydrophobicContact CH2-CD1 4.47Å; W12-F16 HydrophobicContact CH2-CD2 4.31Å; W12-F16 HydrophobicContact CH2-CG 4.12Å; W12-F16 HydrophobicContact CZ2-CB 4.2Å; W12-F16 AromaticContact CZ2-CD2 3.93Å; W12-F16 HydrophobicContact CZ2-CD2 3.93Å; W12-F16 HydrophobicContact CZ2-CG 4.09Å; W12-F16 VanDerWaalsContact O-CB 3.27Å; W12-F16 WeakPolarHBondContact O-CB 3.3Å; W12-F16 PolarHBondContact O-N 3.4Å; L13-F16 PolarHBondContact O-N 3.12Å; S14-F16 VanDerWaalsContact C-N 3.35Å; S14-F16 PolarHBondContact O-N 3.4Å; F16-A18 VanDerWaalsContact C-N 3.34Å; F16-L19 PolarHBondContact O-N 3.44Å; F16-I24 HydrophobicContact CE2-CG2 3.96Å; F16-I24 HydrophobicContact CZ-CD1 4.33Å; F16-I24 HydrophobicContact CZ-CG2 4.08Å; F16-Y27 HydrophobicContact CB-CE1 4.48Å; F16-Y27 AromaticContact CD2-CD1 3.85Å; F16-Y27 HydrophobicContact CD2-CD1 3.85Å; F16-Y27 AromaticContact CD2-CE1 3.89Å; F16-Y27 HydrophobicContact CD2-CE1 3.89Å; F16-Y27 HydrophobicContact CE2-CD1 4.41Å; F16-L66 HydrophobicContact CE2-CD2 4.08Å; F16-L66 HydrophobicContact CZ-CD2 4.3Å |
| 17 | K | 72.6 | Confident | 74.8 | Confident | 153 Ų | 153 | 67.2 Ų | 67.2 | 67% | 0.665 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.3 | -28.3 | 175.4 | -75.6 | 176.7 | 67.2 | -173.2 | 0 | 113.2 | L13 S14 E15 L19 | L13-K17 WeakPolarHBondContact O-CB 3.36Å; L13-K17 VanDerWaalsContact O-CG 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.48Å; L13-K17 PolarHBondContact O-N 3.38Å; S14-K17 PolarHBondContact O-N 3.01Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.01Å; K17-L19 VanDerWaalsContact C-N 3.3Å |
| 18 | A | 79.5 | Confident | 74.2 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 69% | 0.694 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -79.1 | -15.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S14 E15 F16 | S14-A18 WeakPolarHBondContact O-CB 3.47Å; S14-A18 PolarHBondContact O-N 3.34Å; E15-A18 PolarHBondContact O-N 3.02Å; E15-A18 VanDerWaalsContact O-N 3.12Å; F16-A18 VanDerWaalsContact C-N 3.34Å |
| 19 | L | 68.5 | Low | 73.5 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -77.2 | 135.2 | 178.9 | -71.8 | 167.9 | 0 | 0 | 0 | 111.6 | E15 F16 K17 Q23 Y27 | E15-L19 WeakPolarHBondContact O-CG 2.97Å; E15-L19 PolarHBondContact O-N 3.08Å; E15-L19 VanDerWaalsContact O-N 3.15Å; F16-L19 PolarHBondContact O-N 3.44Å; K17-L19 VanDerWaalsContact C-N 3.3Å; L19-Q23 HydrophobicContact CD2-CB 4.49Å; L19-Y27 HydrophobicContact CD1-CD1 3.59Å; L19-Y27 HydrophobicContact CD1-CD2 3.32Å; L19-Y27 HydrophobicContact CD1-CE1 3.96Å; L19-Y27 HydrophobicContact CD1-CE2 3.71Å; L19-Y27 HydrophobicContact CD1-CG 3.24Å |
| 20 | P | 74.6 | Confident | 73.2 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | trans | -70.1 | 149.5 | 171.8 | 28.7 | -32.6 | 0 | 0 | 0 | 110.6 | T22 Q23 I24 | P20-T22 PolarHBondContact O-N 3.43Å; P20-Q23 HydrophobicContact CG-CB 4.09Å; P20-Q23 HydrophobicContact CG-CG 3.91Å; P20-Q23 PolarHBondContact O-N 3.2Å; P20-I24 PolarHBondContact O-N 3.12Å | ||
| 21 | D | 68.4 | Low | 72.7 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.2 | -31 | -177.6 | -66.9 | -85.3 | 0 | 0 | 0 | 113.6 | Q23 I24 | D21-Q23 VanDerWaalsContact C-N 3.26Å; D21-Q23 PolarHBondContact O-N 2.99Å; D21-I24 HydrophobicContact CB-CD1 4.43Å; D21-I24 PolarHBondContact O-N 2.73Å |
| 22 | T | 73 | Confident | 71.9 | Confident | 124 Ų | 124 | 65.8 Ų | 65.8 | 76% | 0.761 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.4 | -25.9 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | P20 | P20-T22 PolarHBondContact O-N 3.43Å |
| 23 | Q | 66.8 | Low | 71.2 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -100.7 | -6.7 | -178.3 | -66.3 | -169.4 | 77.5 | 0 | 0 | 113.1 | L19 P20 D21 T25 S26 Y27 | L19-Q23 HydrophobicContact CD2-CB 4.49Å; P20-Q23 HydrophobicContact CG-CB 4.09Å; P20-Q23 HydrophobicContact CG-CG 3.91Å; P20-Q23 PolarHBondContact O-N 3.2Å; D21-Q23 VanDerWaalsContact C-N 3.26Å; D21-Q23 PolarHBondContact O-N 2.99Å; Q23-T25 VanDerWaalsContact C-N 3.3Å; Q23-T25 PolarHBondContact O-N 3.03Å; Q23-S26 PolarHBondContact O-N 3.33Å; Q23-Y27 WeakPolarHBondContact O-CB 3.48Å; Q23-Y27 PolarHBondContact O-N 3.19Å |
| 24 | I | 67.6 | Low | 70.9 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 9% | 0.087 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 179.5 | -68 | -175.4 | 0 | 0 | 0 | 111.3 | F16 P20 D21 Y27 A28 L66 K87 | F16-I24 HydrophobicContact CE2-CG2 3.96Å; F16-I24 HydrophobicContact CZ-CD1 4.33Å; F16-I24 HydrophobicContact CZ-CG2 4.08Å; P20-I24 PolarHBondContact O-N 3.12Å; D21-I24 HydrophobicContact CB-CD1 4.43Å; D21-I24 PolarHBondContact O-N 2.73Å; I24-Y27 PolarHBondContact O-N 3.41Å; I24-A28 WeakPolarHBondContact O-CB 3.27Å; I24-A28 PolarHBondContact O-N 3.45Å; I24-L66 HydrophobicContact CG2-CD2 4.47Å; I24-K87 VanDerWaalsContact CD1-CE 3.41Å |
| 25 | T | 65.9 | Low | 70.4 | Confident | 91 Ų | 91 | 82 Ų | 82 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 178.7 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | Q23 Y27 A28 A29 | Q23-T25 VanDerWaalsContact C-N 3.3Å; Q23-T25 PolarHBondContact O-N 3.03Å; T25-Y27 VanDerWaalsContact C-N 3.33Å; T25-A28 PolarHBondContact O-N 3.13Å; T25-A29 PolarHBondContact O-N 3.21Å |
| 26 | S | 68.8 | Low | 69.9 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | Q23 A29 T30 | Q23-S26 PolarHBondContact O-N 3.33Å; S26-A29 WeakPolarHBondContact O-CB 3.36Å; S26-A29 PolarHBondContact O-N 3.12Å; S26-T30 PolarHBondContact O-N 3.12Å |
| 27 | Y | 71.7 | Confident | 69.8 | Low | 24 Ų | 24 | 81.3 Ų | 81.3 | 9% | 0.094 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 175.6 | -171.6 | -105.3 | 0 | 0 | 0 | 113 | W12 E15 F16 L19 Q23 I24 T25 A29 T30 L31 | W12-Y27 AromaticContact CD1-CZ 3.99Å; W12-Y27 HydrophobicContact CZ2-CE1 4.39Å; W12-Y27 AromaticContact NE1-CE1 3.37Å; W12-Y27 AromaticContact NE1-CZ 3.7Å; W12-Y27 PolarHBondContact NE1-OH 3.29Å; E15-Y27 WeakPolarHBondContact OE1-CE2 3.46Å; E15-Y27 PolarHBondContact OE1-OH 3.31Å; F16-Y27 HydrophobicContact CB-CE1 4.48Å; F16-Y27 AromaticContact CD2-CD1 3.85Å; F16-Y27 HydrophobicContact CD2-CD1 3.85Å; F16-Y27 AromaticContact CD2-CE1 3.89Å; F16-Y27 HydrophobicContact CD2-CE1 3.89Å; F16-Y27 HydrophobicContact CE2-CD1 4.41Å; L19-Y27 HydrophobicContact CD1-CD1 3.59Å; L19-Y27 HydrophobicContact CD1-CD2 3.32Å; L19-Y27 HydrophobicContact CD1-CE1 3.96Å; L19-Y27 HydrophobicContact CD1-CE2 3.71Å; L19-Y27 HydrophobicContact CD1-CG 3.24Å; Q23-Y27 WeakPolarHBondContact O-CB 3.48Å; Q23-Y27 PolarHBondContact O-N 3.19Å; I24-Y27 PolarHBondContact O-N 3.41Å; T25-Y27 VanDerWaalsContact C-N 3.33Å; Y27-A29 PolarHBondContact O-N 3.12Å; Y27-T30 PolarHBondContact O-N 3.14Å; Y27-T30 VanDerWaalsContact O-N 3.09Å; Y27-T30 PolarHBondContact O-OG1 3.32Å; Y27-L31 HydrophobicContact CD1-CD1 3.7Å; Y27-L31 HydrophobicContact CE1-CD1 3.6Å; Y27-L31 PolarHBondContact O-N 2.87Å |
| 28 | A | 67 | Low | 69.8 | Low | 16 Ų | 16 | 76.6 Ų | 76.6 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I24 T25 T30 L31 L66 | I24-A28 WeakPolarHBondContact O-CB 3.27Å; I24-A28 PolarHBondContact O-N 3.45Å; T25-A28 PolarHBondContact O-N 3.13Å; A28-T30 VanDerWaalsContact C-N 3.33Å; A28-T30 PolarHBondContact O-N 3.24Å; A28-L31 VanDerWaalsContact O-CB 3.29Å; A28-L31 WeakPolarHBondContact O-CB 3.46Å; A28-L31 PolarHBondContact O-N 2.88Å; A28-L66 HydrophobicContact CB-CD2 3.99Å |
| 29 | A | 67.3 | Low | 69.4 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.3 | -31.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T25 S26 Y27 | T25-A29 PolarHBondContact O-N 3.21Å; S26-A29 WeakPolarHBondContact O-CB 3.36Å; S26-A29 PolarHBondContact O-N 3.12Å; Y27-A29 PolarHBondContact O-N 3.12Å |
| 30 | T | 69.6 | Low | 69.7 | Low | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -84.9 | -18.5 | 177 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | S26 Y27 A28 H32 R33 | S26-T30 PolarHBondContact O-N 3.12Å; Y27-T30 PolarHBondContact O-N 3.14Å; Y27-T30 VanDerWaalsContact O-N 3.09Å; Y27-T30 PolarHBondContact O-OG1 3.32Å; A28-T30 VanDerWaalsContact C-N 3.33Å; A28-T30 PolarHBondContact O-N 3.24Å; T30-H32 PolarHBondContact O-N 3.23Å; T30-R33 WeakPolarHBondContact O-CA 3.32Å; T30-R33 WeakPolarHBondContact O-CB 3.43Å; T30-R33 PolarHBondContact O-N 2.66Å |
| 31 | L | 68.8 | Low | 69.7 | Low | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.4 | -32.3 | 179.5 | -133.6 | 132.2 | 0 | 0 | 0 | 113.3 | W12 Y27 A28 R33 K34 L37 K67 | W12-L31 HydrophobicContact CZ2-CD1 3.76Å; Y27-L31 HydrophobicContact CD1-CD1 3.7Å; Y27-L31 HydrophobicContact CE1-CD1 3.6Å; Y27-L31 PolarHBondContact O-N 2.87Å; A28-L31 VanDerWaalsContact O-CB 3.29Å; A28-L31 WeakPolarHBondContact O-CB 3.46Å; A28-L31 PolarHBondContact O-N 2.88Å; L31-R33 PolarHBondContact O-N 3.47Å; L31-K34 PolarHBondContact O-N 3.41Å; L31-L37 HydrophobicContact CD2-CD2 3.8Å; L31-L37 HydrophobicContact CG-CD2 4.37Å; L31-K67 HydrophobicContact CD2-CD 4.23Å |
| 32 | H | 65.8 | Low | 69.9 | Low | 126 Ų | 126 | 73.7 Ų | 73.7 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26 | 173.3 | -178.5 | -103.1 | 0 | 0 | 0 | 112.7 | T30 | T30-H32 PolarHBondContact O-N 3.23Š|
| 33 | R | 67.1 | Low | 69.9 | Low | 210 Ų | 210 | 72.6 Ų | 72.6 | 79% | 0.792 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -28 | 174.8 | -56.7 | -178.7 | 179.1 | 177.8 | -0.9 | 112.1 | T30 L31 K35 | T30-R33 WeakPolarHBondContact O-CA 3.32Å; T30-R33 WeakPolarHBondContact O-CB 3.43Å; T30-R33 PolarHBondContact O-N 2.66Å; L31-R33 PolarHBondContact O-N 3.47Å; R33-K35 PolarHBondContact O-N 2.82Å |
| 34 | K | 70.1 | Confident | 70.2 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | trans | -79.3 | 62.5 | 173.6 | -74 | -175.6 | 170.4 | -170.5 | 0 | 110.1 | E15 L31 A36 L37 | E15-K34 VanDerWaalsContact CD-NZ 3.28Å; E15-K34 IonicContact OE1-NZ 2.88Å; E15-K34 PolarHBondContact OE1-NZ 3.46Å; E15-K34 IonicContact OE2-NZ 2.87Å; E15-K34 PolarHBondContact OE2-NZ 3.22Å; L31-K34 PolarHBondContact O-N 3.41Å; K34-A36 PolarHBondContact O-N 2.89Å; K34-L37 HydrophobicContact CB-CB 4.09Å; K34-L37 HydrophobicContact CB-CD2 4.49Å; K34-L37 VanDerWaalsContact O-CB 3.3Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 3.38Å; K34-L37 VanDerWaalsContact O-N 3.12Å | ||
| 35 | K | 69.2 | Low | 70.4 | Confident | 154 Ų | 154 | 70 Ų | 70 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.7 | 179.7 | -75.8 | -170.7 | 176.6 | 179 | 0 | 114 | R33 P39 | R33-K35 PolarHBondContact O-N 2.82Å; K35-P39 WeakPolarHBondContact O-CD 3.48Å |
| 36 | A | 70.7 | Confident | 70.5 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K34 V38 P39 A40 | K34-A36 PolarHBondContact O-N 2.89Å; A36-V38 VanDerWaalsContact C-N 3.31Å; A36-V38 PolarHBondContact O-N 2.9Å; A36-P39 WeakPolarHBondContact O-CD 3.37Å; A36-P39 WeakPolarHBondContact O-CG 3.36Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 3.15Å |
| 37 | L | 73.1 | Confident | 70.4 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 178.1 | 179.3 | 67.8 | 0 | 0 | 0 | 111.9 | V8 V9 W12 L31 K34 A40 L41 | V8-L37 HydrophobicContact CG1-CD1 3.95Å; V9-L37 HydrophobicContact CG2-CD1 4.39Å; W12-L37 HydrophobicContact CB-CD1 3.57Å; W12-L37 HydrophobicContact CB-CD2 4.28Å; W12-L37 HydrophobicContact CD2-CD1 4.14Å; W12-L37 HydrophobicContact CD2-CD2 3.7Å; W12-L37 HydrophobicContact CD2-CG 4.49Å; W12-L37 HydrophobicContact CG-CD1 3.63Å; W12-L37 HydrophobicContact CG-CD2 3.46Å; W12-L37 VanDerWaalsContact CG-CD2 3.46Å; W12-L37 HydrophobicContact CG-CG 4.18Å; L31-L37 HydrophobicContact CD2-CD2 3.8Å; L31-L37 HydrophobicContact CG-CD2 4.37Å; K34-L37 HydrophobicContact CB-CB 4.09Å; K34-L37 HydrophobicContact CB-CD2 4.49Å; K34-L37 VanDerWaalsContact O-CB 3.3Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 3.38Å; K34-L37 VanDerWaalsContact O-N 3.12Å; L37-A40 PolarHBondContact O-N 3.12Å; L37-L41 HydrophobicContact CD1-CD1 3.62Å; L37-L41 HydrophobicContact CD2-CD1 4.26Å; L37-L41 HydrophobicContact CG-CD1 3.59Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 3.43Å |
| 38 | V | 71.5 | Confident | 69.8 | Low | 53 Ų | 53 | 70.5 Ų | 70.5 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65 | -55.7 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | A36 A40 L41 Y42 K67 | A36-V38 VanDerWaalsContact C-N 3.31Å; A36-V38 PolarHBondContact O-N 2.9Å; V38-A40 PolarHBondContact O-N 3.02Å; V38-L41 PolarHBondContact O-N 3.5Å; V38-Y42 PolarHBondContact O-N 3.41Å; V38-K67 HydrophobicContact CG2-CD 4.03Å; V38-K67 VanDerWaalsContact CG2-CE 3.47Å |
| 39 | P | 71.3 | Confident | 69.3 | Low | 69 Ų | 69 | 77 Ų | 77 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.1 | -30 | 175.4 | 27.4 | -34.3 | 0 | 0 | 0 | 111.5 | K35 A36 Y42 K43 | K35-P39 WeakPolarHBondContact O-CD 3.48Å; A36-P39 WeakPolarHBondContact O-CD 3.37Å; A36-P39 WeakPolarHBondContact O-CG 3.36Å; P39-Y42 PolarHBondContact O-N 3.41Å; P39-K43 WeakPolarHBondContact O-CB 3.44Å; P39-K43 WeakPolarHBondContact O-CG 3.24Å; P39-K43 PolarHBondContact O-N 2.96Å |
| 40 | A | 76.4 | Confident | 68.5 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 5% | 0.05 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E5 V8 V9 A36 L37 V38 Y42 K43 V44 | E5-A40 HydrophobicContact CB-CB 3.9Å; E5-A40 HydrophobicContact CG-CB 3.88Å; V8-A40 HydrophobicContact CB-CB 4.49Å; V8-A40 HydrophobicContact CG1-CB 4.3Å; V9-A40 HydrophobicContact CG2-CB 4.23Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 3.15Å; L37-A40 PolarHBondContact O-N 3.12Å; V38-A40 PolarHBondContact O-N 3.02Å; A40-Y42 VanDerWaalsContact C-N 3.33Å; A40-Y42 PolarHBondContact O-N 3.27Å; A40-K43 PolarHBondContact O-N 3.45Å; A40-V44 WeakPolarHBondContact O-CB 3.46Å; A40-V44 WeakPolarHBondContact O-CG2 3.47Å; A40-V44 PolarHBondContact O-N 2.98Å |
| 41 | L | 73.7 | Confident | 67.8 | Low | 12 Ų | 12 | 83.8 Ų | 83.8 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 173.9 | -106.6 | 115 | 0 | 0 | 0 | 111.5 | V9 W12 L37 V38 V44 I45 L60 A63 V64 | V9-L41 HydrophobicContact CG1-CG 4.4Å; V9-L41 HydrophobicContact CG2-CB 4.45Å; V9-L41 HydrophobicContact CG2-CD1 4.05Å; V9-L41 HydrophobicContact CG2-CG 3.94Å; W12-L41 HydrophobicContact CE3-CD1 4.47Å; L37-L41 HydrophobicContact CD1-CD1 3.62Å; L37-L41 HydrophobicContact CD2-CD1 4.26Å; L37-L41 HydrophobicContact CG-CD1 3.59Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 3.5Å; L41-V44 PolarHBondContact O-N 2.91Å; L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 WeakPolarHBondContact O-CB 3.32Å; L41-I45 WeakPolarHBondContact O-CD1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.25Å; L41-I45 PolarHBondContact O-N 3.43Å; L41-L60 HydrophobicContact CD2-CB 4.43Å; L41-L60 HydrophobicContact CD2-CD2 3.74Å; L41-L60 HydrophobicContact CG-CD2 4.15Å; L41-A63 HydrophobicContact CD2-CB 4.12Å; L41-V64 HydrophobicContact CD2-CG2 3.66Å |
| 42 | Y | 71.8 | Confident | 66.9 | Low | 155 Ų | 155 | 84.8 Ų | 84.8 | 61% | 0.608 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | -177.8 | -158.5 | -97 | 0 | 0 | 0 | 111.9 | V38 P39 A40 I45 Q46 | V38-Y42 PolarHBondContact O-N 3.41Å; P39-Y42 PolarHBondContact O-N 3.41Å; A40-Y42 VanDerWaalsContact C-N 3.33Å; A40-Y42 PolarHBondContact O-N 3.27Å; Y42-I45 PolarHBondContact O-N 2.94Å; Y42-Q46 HydrophobicContact CD1-CG 4.18Å; Y42-Q46 HydrophobicContact CE1-CG 4.09Å; Y42-Q46 VanDerWaalsContact CE1-NE2 3.28Å; Y42-Q46 WeakPolarHBondContact O-CB 3.36Å; Y42-Q46 WeakPolarHBondContact O-CG 3.11Å; Y42-Q46 PolarHBondContact O-N 3.02Å |
| 43 | K | 74.3 | Confident | 66 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.3 | -78 | -173.2 | -179.4 | -173.3 | 0 | 112.3 | L2 E5 P39 A40 I45 Q46 D47 | L2-K43 HydrophobicContact CD2-CB 4.32Å; L2-K43 HydrophobicContact CD2-CD 4.45Å; E5-K43 HydrophobicContact CG-CD 4.14Å; E5-K43 WeakPolarHBondContact OE1-CD 3.42Å; E5-K43 IonicContact OE1-NZ 2.8Å; E5-K43 PolarHBondContact OE1-NZ 3.36Å; P39-K43 WeakPolarHBondContact O-CB 3.44Å; P39-K43 WeakPolarHBondContact O-CG 3.24Å; P39-K43 PolarHBondContact O-N 2.96Å; A40-K43 PolarHBondContact O-N 3.45Å; K43-I45 VanDerWaalsContact C-N 3.31Å; K43-I45 PolarHBondContact O-N 3.41Å; K43-Q46 PolarHBondContact O-N 3.39Å; K43-D47 VanDerWaalsContact O-CB 3.3Å; K43-D47 WeakPolarHBondContact O-CB 3.39Å; K43-D47 PolarHBondContact O-N 3.48Å |
| 44 | V | 73.1 | Confident | 65.2 | Low | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.012 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | E5 R6 V9 A40 L41 S48 M52 | E5-V44 HydrophobicContact CB-CG2 3.96Å; R6-V44 HydrophobicContact CG-CG1 4.32Å; R6-V44 HydrophobicContact CG-CG2 3.82Å; V9-V44 HydrophobicContact CG2-CG2 4.21Å; A40-V44 WeakPolarHBondContact O-CB 3.46Å; A40-V44 WeakPolarHBondContact O-CG2 3.47Å; A40-V44 PolarHBondContact O-N 2.98Å; L41-V44 PolarHBondContact O-N 2.91Å; V44-S48 WeakPolarHBondContact O-CA 3.33Å; V44-S48 WeakPolarHBondContact O-CB 3.25Å; V44-S48 PolarHBondContact O-N 3.37Å; V44-S48 PolarHBondContact O-OG 3.08Å; V44-M52 HydrophobicContact CG1-CE 3.66Å |
| 45 | I | 71.1 | Confident | 64.4 | Low | 64 Ų | 64 | 80 Ų | 80 | 33% | 0.328 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 177.9 | -68.3 | 162.4 | 0 | 0 | 0 | 111.6 | L41 Y42 K43 D47 S48 N49 V64 | L41-I45 HydrophobicContact CD2-CD1 4.3Å; L41-I45 WeakPolarHBondContact O-CB 3.32Å; L41-I45 WeakPolarHBondContact O-CD1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.25Å; L41-I45 PolarHBondContact O-N 3.43Å; Y42-I45 PolarHBondContact O-N 2.94Å; K43-I45 VanDerWaalsContact C-N 3.31Å; K43-I45 PolarHBondContact O-N 3.41Å; I45-D47 VanDerWaalsContact C-N 3.3Å; I45-D47 PolarHBondContact O-N 2.82Å; I45-S48 PolarHBondContact O-N 3.39Å; I45-N49 PolarHBondContact O-N 3.36Å; I45-N49 VanDerWaalsContact O-N 3.1Å; I45-V64 HydrophobicContact CD1-CG2 3.7Å |
| 46 | Q | 69.4 | Low | 63.8 | Low | 125 Ų | 125 | 76.3 Ų | 76.3 | 58% | 0.584 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.6 | -40.4 | 179.3 | -79.9 | -172.4 | -35.3 | 0 | 0 | 112.5 | Y42 K43 | Y42-Q46 HydrophobicContact CD1-CG 4.18Å; Y42-Q46 HydrophobicContact CE1-CG 4.09Å; Y42-Q46 VanDerWaalsContact CE1-NE2 3.28Å; Y42-Q46 WeakPolarHBondContact O-CB 3.36Å; Y42-Q46 WeakPolarHBondContact O-CG 3.11Å; Y42-Q46 PolarHBondContact O-N 3.02Å; K43-Q46 PolarHBondContact O-N 3.39Å |
| 47 | D | 66.2 | Low | 63.2 | Low | 75 Ų | 75 | 77 Ų | 77 | 40% | 0.401 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -81.7 | -36.9 | -179 | -157 | -97.4 | 0 | 0 | 0 | 111.5 | L2 K43 I45 N49 N50 | L2-D47 HydrophobicContact CD1-CB 3.14Å; L2-D47 VanDerWaalsContact CD1-OD1 3.25Å; L2-D47 WeakPolarHBondContact CD1-OD1 3.48Å; L2-D47 HydrophobicContact CG-CB 4.36Å; K43-D47 VanDerWaalsContact O-CB 3.3Å; K43-D47 WeakPolarHBondContact O-CB 3.39Å; K43-D47 PolarHBondContact O-N 3.48Å; I45-D47 VanDerWaalsContact C-N 3.3Å; I45-D47 PolarHBondContact O-N 2.82Å; D47-N49 PolarHBondContact O-N 3.39Å; D47-N50 VanDerWaalsContact O-CB 3.31Å; D47-N50 WeakPolarHBondContact O-CB 3.4Å; D47-N50 PolarHBondContact O-N 2.96Å; D47-N50 VanDerWaalsContact O-N 3.12Å |
| 48 | S | 58.9 | Low | 62.5 | Low | 7 Ų | 7 | 79.3 Ų | 79.3 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.2 | -21.3 | 176 | -86.2 | 0 | 0 | 0 | 0 | 114.9 | V44 I45 N50 E51 M52 | V44-S48 WeakPolarHBondContact O-CA 3.33Å; V44-S48 WeakPolarHBondContact O-CB 3.25Å; V44-S48 PolarHBondContact O-N 3.37Å; V44-S48 PolarHBondContact O-OG 3.08Å; I45-S48 PolarHBondContact O-N 3.39Å; S48-N50 PolarHBondContact O-N 3.48Å; S48-E51 PolarHBondContact O-N 3.24Å; S48-E51 VanDerWaalsContact O-N 3.11Å; S48-M52 WeakPolarHBondContact CB-SD 3.41Å; S48-M52 WeakPolarHBondContact O-CB 3.18Å; S48-M52 PolarHBondContact O-N 2.97Å; S48-M52 WeakPolarHBondContact OG-CE 3.2Å; S48-M52 WeakPolarHBondContact OG-CG 3.43Å; S48-M52 PolarHBondContact OG-SD 3.26Å |
| 49 | N | 55.3 | Low | 61.9 | Low | 154 Ų | 154 | 79.9 Ų | 79.9 | 82% | 0.824 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.1 | 172 | -149.1 | 64.4 | 0 | 0 | 0 | 112.3 | I45 D47 | I45-N49 PolarHBondContact O-N 3.36Å; I45-N49 VanDerWaalsContact O-N 3.1Å; D47-N49 PolarHBondContact O-N 3.39Å |
| 50 | N | 51.4 | Low | 61.4 | Low | 144 Ų | 144 | 76.8 Ų | 76.8 | 77% | 0.77 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -18.4 | 177.7 | -152.1 | 19 | 0 | 0 | 0 | 114.3 | D47 S48 | D47-N50 VanDerWaalsContact O-CB 3.31Å; D47-N50 WeakPolarHBondContact O-CB 3.4Å; D47-N50 PolarHBondContact O-N 2.96Å; D47-N50 VanDerWaalsContact O-N 3.12Å; S48-N50 PolarHBondContact O-N 3.48Å |
| 51 | E | 54.3 | Low | 60.5 | Low | 129 Ų | 129 | 80.1 Ų | 80.1 | 60% | 0.603 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.8 | 7.6 | -169.4 | 60.2 | 177.2 | 82 | 0 | 0 | 118 | R6 S48 | R6-E51 IonicContact NH1-OE2 3.07Å; S48-E51 PolarHBondContact O-N 3.24Å; S48-E51 VanDerWaalsContact O-N 3.11Å |
| 52 | M | 50.8 | Low | 59.8 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | trans | -81 | 132.9 | -165.7 | -141.8 | -178.1 | -154.7 | 0 | 0 | 115.6 | V44 S48 R56 L57 L60 | V44-M52 HydrophobicContact CG1-CE 3.66Å; S48-M52 WeakPolarHBondContact CB-SD 3.41Å; S48-M52 WeakPolarHBondContact O-CB 3.18Å; S48-M52 PolarHBondContact O-N 2.97Å; S48-M52 WeakPolarHBondContact OG-CE 3.2Å; S48-M52 WeakPolarHBondContact OG-CG 3.43Å; S48-M52 PolarHBondContact OG-SD 3.26Å; M52-R56 HydrophobicContact CE-CB 4.22Å; M52-R56 HydrophobicContact SD-CB 4.26Å; M52-L57 HydrophobicContact CB-CD1 4.02Å; M52-L57 HydrophobicContact SD-CD1 4.18Å; M52-L60 HydrophobicContact CE-CD1 3.63Å; M52-L60 HydrophobicContact SD-CD1 3.77Å | ||
| 53 | Q | 46.7 | Very low | 59.2 | Low | 122 Ų | 122 | 73.7 Ų | 73.7 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | trans | -57.2 | 135.2 | 169.9 | -67.8 | -176.3 | -20.8 | 0 | 0 | 112 | P55 R56 | Q53-P55 WeakPolarHBondContact O-CD 3.37Å; Q53-R56 PolarHBondContact O-N 3.1Å | ||
| 54 | P | 50.8 | Low | 58.5 | Low | 110 Ų | 110 | 71.5 Ų | 71.5 | 71% | 0.714 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | -171.4 | 19.4 | -29.8 | 0 | 0 | 0 | 117.4 | R56 P58 | P54-R56 PolarHBondContact O-N 3.28Å; P54-P58 WeakPolarHBondContact O-CD 3.38Å |
| 55 | P | 52.6 | Low | 57.6 | Low | 85 Ų | 85 | 74.1 Ų | 74.1 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.7 | -175.3 | 27.4 | -34.8 | 0 | 0 | 0 | 114.2 | Q53 | Q53-P55 WeakPolarHBondContact O-CD 3.37Š|
| 56 | R | 57.6 | Low | 56.8 | Low | 76 Ų | 76 | 72.3 Ų | 72.3 | 29% | 0.287 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -27.9 | -174.2 | -59.3 | -176.3 | -178.4 | -163.9 | -7.1 | 113.3 | E10 M52 Q53 P54 L60 | E10-R56 IonicContact OE1-CZ 2.61Å; E10-R56 IonicContact OE1-NH1 2.88Å; E10-R56 PolarHBondContact OE1-NH1 3.32Å; E10-R56 IonicContact OE1-NH2 3.73Å; E10-R56 PolarHBondContact OE1-NH2 3.28Å; M52-R56 HydrophobicContact CE-CB 4.22Å; M52-R56 HydrophobicContact SD-CB 4.26Å; Q53-R56 PolarHBondContact O-N 3.1Å; P54-R56 PolarHBondContact O-N 3.28Å; R56-L60 WeakPolarHBondContact O-CD1 3.26Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.11Å; R56-L60 VanDerWaalsContact O-N 3.13Å |
| 57 | L | 56.2 | Low | 55.9 | Low | 88 Ų | 88 | 68.9 Ų | 68.9 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 176.8 | -127.2 | 94.8 | 0 | 0 | 0 | 113.9 | M52 L59 L60 C61 | M52-L57 HydrophobicContact CB-CD1 4.02Å; M52-L57 HydrophobicContact SD-CD1 4.18Å; L57-L59 PolarHBondContact O-N 3.37Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-C61 PolarHBondContact O-N 3.32Å; L57-C61 PolarHBondContact O-SG 3.37Å; L57-C61 VanDerWaalsContact O-SG 3.4Å |
| 58 | P | 58.6 | Low | 54.9 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | -174.7 | 23.5 | -32.3 | 0 | 0 | 0 | 112.3 | P54 C61 T62 L90 | P54-P58 WeakPolarHBondContact O-CD 3.38Å; P58-C61 PolarHBondContact O-N 3.06Å; P58-T62 WeakPolarHBondContact O-CB 3.47Å; P58-T62 PolarHBondContact O-N 3.06Å; P58-T62 PolarHBondContact O-OG1 2.84Å; P58-L90 HydrophobicContact CB-CD2 4.45Å |
| 59 | L | 59.4 | Low | 54.3 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 176.3 | -78.7 | 163.5 | 0 | 0 | 0 | 112.1 | L13 L57 T62 A63 | L13-L59 HydrophobicContact CD2-CB 3.83Å; L57-L59 PolarHBondContact O-N 3.37Å; L59-T62 PolarHBondContact O-N 3.49Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.2Å |
| 60 | L | 60.8 | Low | 53.8 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 175.9 | -68.1 | 169.6 | 0 | 0 | 0 | 111.9 | V9 L13 L41 M52 R56 L57 T62 A63 V64 | V9-L60 HydrophobicContact CG1-CD2 3.28Å; L13-L60 HydrophobicContact CD1-CD2 4.09Å; L41-L60 HydrophobicContact CD2-CB 4.43Å; L41-L60 HydrophobicContact CD2-CD2 3.74Å; L41-L60 HydrophobicContact CG-CD2 4.15Å; M52-L60 HydrophobicContact CE-CD1 3.63Å; M52-L60 HydrophobicContact SD-CD1 3.77Å; R56-L60 WeakPolarHBondContact O-CD1 3.26Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.11Å; R56-L60 VanDerWaalsContact O-N 3.13Å; L57-L60 PolarHBondContact O-N 3.03Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.23Å; L60-A63 WeakPolarHBondContact O-CB 3.29Å; L60-A63 PolarHBondContact O-N 3.41Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 3.49Å |
| 61 | C | 56.9 | Low | 53.2 | Low | 77 Ų | 77 | 63.3 Ų | 63.3 | 52% | 0.52 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.8 | -72.3 | 0 | 0 | 0 | 0 | 111.4 | L57 P58 A63 V64 S65 | L57-C61 PolarHBondContact O-N 3.32Å; L57-C61 PolarHBondContact O-SG 3.37Å; L57-C61 VanDerWaalsContact O-SG 3.4Å; P58-C61 PolarHBondContact O-N 3.06Å; C61-A63 VanDerWaalsContact C-N 3.35Å; C61-A63 PolarHBondContact O-N 2.86Å; C61-V64 PolarHBondContact O-N 2.94Å; C61-S65 WeakPolarHBondContact O-CB 3.43Å; C61-S65 PolarHBondContact O-N 2.93Å |
| 62 | T | 60.4 | Low | 52.2 | Low | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | P58 L59 L60 S65 L66 L90 | P58-T62 WeakPolarHBondContact O-CB 3.47Å; P58-T62 PolarHBondContact O-N 3.06Å; P58-T62 PolarHBondContact O-OG1 2.84Å; L59-T62 PolarHBondContact O-N 3.49Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.23Å; T62-S65 PolarHBondContact O-N 2.82Å; T62-L66 PolarHBondContact O-N 2.8Å; T62-L90 HydrophobicContact CG2-CD1 4.45Å; T62-L90 WeakPolarHBondContact OG1-CD1 3.2Å |
| 63 | A | 59.4 | Low | 51.6 | Low | 6 Ų | 6 | 68 Ų | 68 | 5% | 0.05 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W12 L41 L59 L60 C61 S65 L66 K67 | W12-A63 HydrophobicContact CE3-CB 4.48Å; W12-A63 HydrophobicContact CH2-CB 3.13Å; W12-A63 HydrophobicContact CZ2-CB 4.2Å; W12-A63 HydrophobicContact CZ3-CB 3.29Å; L41-A63 HydrophobicContact CD2-CB 4.12Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.2Å; L60-A63 WeakPolarHBondContact O-CB 3.29Å; L60-A63 PolarHBondContact O-N 3.41Å; C61-A63 VanDerWaalsContact C-N 3.35Å; C61-A63 PolarHBondContact O-N 2.86Å; A63-S65 VanDerWaalsContact C-N 3.35Å; A63-L66 WeakPolarHBondContact O-CB 3.41Å; A63-L66 PolarHBondContact O-N 3.35Å; A63-K67 PolarHBondContact O-N 3.46Å; A63-K67 VanDerWaalsContact O-N 3.12Å |
| 64 | V | 58.8 | Low | 51.3 | Low | 56 Ų | 56 | 71.2 Ų | 71.2 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L41 I45 L60 C61 L66 K67 T68 | L41-V64 HydrophobicContact CD2-CG2 3.66Å; I45-V64 HydrophobicContact CD1-CG2 3.7Å; L60-V64 WeakPolarHBondContact O-CG2 3.38Å; L60-V64 PolarHBondContact O-N 3.49Å; C61-V64 PolarHBondContact O-N 2.94Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.9Å; V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.47Å; V64-K67 PolarHBondContact O-N 2.95Å; V64-K67 VanDerWaalsContact O-N 3.12Å; V64-T68 PolarHBondContact O-N 3.44Å; V64-T68 PolarHBondContact O-OG1 2.93Å |
| 65 | S | 54.9 | Low | 50.6 | Low | 56 Ų | 56 | 71.6 Ų | 71.6 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.2 | -135.4 | 0 | 0 | 0 | 0 | 111.8 | C61 T62 A63 K67 T68 V69 | C61-S65 WeakPolarHBondContact O-CB 3.43Å; C61-S65 PolarHBondContact O-N 2.93Å; T62-S65 PolarHBondContact O-N 2.82Å; A63-S65 VanDerWaalsContact C-N 3.35Å; S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 3.45Å; S65-T68 PolarHBondContact O-N 2.86Å; S65-V69 WeakPolarHBondContact O-CB 3.3Å; S65-V69 VanDerWaalsContact O-CG2 3.27Å; S65-V69 WeakPolarHBondContact O-CG2 3.42Å; S65-V69 PolarHBondContact O-N 3.47Å |
| 66 | L | 53.1 | Low | 49.8 | Very low | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -35 | 174.7 | -139.8 | 77.4 | 0 | 0 | 0 | 112.2 | F16 I24 A28 T62 A63 V64 S70 I83 | F16-L66 HydrophobicContact CE2-CD2 4.08Å; F16-L66 HydrophobicContact CZ-CD2 4.3Å; I24-L66 HydrophobicContact CG2-CD2 4.47Å; A28-L66 HydrophobicContact CB-CD2 3.99Å; T62-L66 PolarHBondContact O-N 2.8Å; A63-L66 WeakPolarHBondContact O-CB 3.41Å; A63-L66 PolarHBondContact O-N 3.35Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.9Å; L66-S70 WeakPolarHBondContact O-CB 2.89Å; L66-S70 PolarHBondContact O-N 2.66Å; L66-S70 PolarHBondContact O-OG 3.37Å; L66-I83 HydrophobicContact CD1-CG2 4.48Å |
| 67 | K | 50.5 | Low | 49.1 | Very low | 54 Ų | 54 | 71.4 Ų | 71.4 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 175.8 | -170.4 | 89.5 | -166 | -44.8 | 0 | 112.2 | L31 V38 A63 V64 S65 V69 S70 S71 | L31-K67 HydrophobicContact CD2-CD 4.23Å; V38-K67 HydrophobicContact CG2-CD 4.03Å; V38-K67 VanDerWaalsContact CG2-CE 3.47Å; A63-K67 PolarHBondContact O-N 3.46Å; A63-K67 VanDerWaalsContact O-N 3.12Å; V64-K67 VanDerWaalsContact O-CB 3.32Å; V64-K67 WeakPolarHBondContact O-CB 3.47Å; V64-K67 PolarHBondContact O-N 2.95Å; V64-K67 VanDerWaalsContact O-N 3.12Å; S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 3.45Å; K67-V69 VanDerWaalsContact C-N 3.27Å; K67-V69 PolarHBondContact O-N 3.42Å; K67-S70 WeakPolarHBondContact CA-OG 3.25Å; K67-S70 PolarHBondContact O-N 2.96Å; K67-S70 PolarHBondContact O-OG 3.3Å; K67-S70 VanDerWaalsContact O-OG 3.12Å; K67-S71 WeakPolarHBondContact O-CB 3.15Å; K67-S71 PolarHBondContact O-N 3.09Å |
| 68 | T | 45.8 | Very low | 48.4 | Very low | 75 Ų | 75 | 74.4 Ų | 74.4 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.5 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | V64 S65 S71 W72 | V64-T68 PolarHBondContact O-N 3.44Å; V64-T68 PolarHBondContact O-OG1 2.93Å; S65-T68 PolarHBondContact O-N 2.86Å; T68-S71 PolarHBondContact O-N 3.18Å; T68-W72 WeakPolarHBondContact O-CB 3.41Å; T68-W72 PolarHBondContact O-N 2.81Å; T68-W72 VanDerWaalsContact O-N 3.12Å |
| 69 | V | 45.3 | Very low | 47.3 | Very low | 34 Ų | 34 | 74.8 Ų | 74.8 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.7 | 166 | 0 | 0 | 0 | 0 | 112.8 | S65 K67 S71 W72 S73 I83 | S65-V69 WeakPolarHBondContact O-CB 3.3Å; S65-V69 VanDerWaalsContact O-CG2 3.27Å; S65-V69 WeakPolarHBondContact O-CG2 3.42Å; S65-V69 PolarHBondContact O-N 3.47Å; K67-V69 VanDerWaalsContact C-N 3.27Å; K67-V69 PolarHBondContact O-N 3.42Å; V69-S71 VanDerWaalsContact C-N 3.26Å; V69-S71 PolarHBondContact O-N 3.35Å; V69-W72 PolarHBondContact O-N 3.47Å; V69-W72 VanDerWaalsContact O-N 3.08Å; V69-S73 PolarHBondContact O-N 3.13Å; V69-I83 HydrophobicContact CB-CD1 4.27Å; V69-I83 HydrophobicContact CB-CG1 4.41Å; V69-I83 HydrophobicContact CG1-CB 4.35Å; V69-I83 HydrophobicContact CG1-CD1 3.21Å; V69-I83 HydrophobicContact CG1-CG1 3.73Å; V69-I83 HydrophobicContact CG1-CG2 3.96Å; V69-I83 HydrophobicContact CG2-CD1 4.06Å; V69-I83 HydrophobicContact CG2-CG1 3.81Å; V69-I83 HydrophobicContact CG2-CG2 4.29Å |
| 70 | S | 45.3 | Very low | 46.4 | Very low | 54 Ų | 54 | 75.4 Ų | 75.4 | 38% | 0.378 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.8 | -25.1 | 177.7 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | L66 K67 | L66-S70 WeakPolarHBondContact O-CB 2.89Å; L66-S70 PolarHBondContact O-N 2.66Å; L66-S70 PolarHBondContact O-OG 3.37Å; K67-S70 WeakPolarHBondContact CA-OG 3.25Å; K67-S70 PolarHBondContact O-N 2.96Å; K67-S70 PolarHBondContact O-OG 3.3Å; K67-S70 VanDerWaalsContact O-OG 3.12Å |
| 71 | S | 40 | Very low | 45.4 | Very low | 100 Ų | 100 | 79.9 Ų | 79.9 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -79.3 | -15.6 | 170.5 | -164.5 | 0 | 0 | 0 | 0 | 113.7 | K67 T68 V69 | K67-S71 WeakPolarHBondContact O-CB 3.15Å; K67-S71 PolarHBondContact O-N 3.09Å; T68-S71 PolarHBondContact O-N 3.18Å; V69-S71 VanDerWaalsContact C-N 3.26Å; V69-S71 PolarHBondContact O-N 3.35Å |
| 72 | W | 32 | Very low | 44.3 | Very low | 223 Ų | 223 | 79.7 Ų | 79.7 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -104 | -0.5 | 179.5 | -99.2 | -0.7 | 0 | 0 | 0 | 115.2 | T68 V69 | T68-W72 WeakPolarHBondContact O-CB 3.41Å; T68-W72 PolarHBondContact O-N 2.81Å; T68-W72 VanDerWaalsContact O-N 3.12Å; V69-W72 PolarHBondContact O-N 3.47Å; V69-W72 VanDerWaalsContact O-N 3.08Å |
| 73 | S | 37.8 | Very low | 43.3 | Very low | 35 Ų | 35 | 80.5 Ų | 80.5 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | trans | -124.4 | 92 | -179.9 | -153.9 | 0 | 0 | 0 | 0 | 113.6 | V69 A76 | V69-S73 PolarHBondContact O-N 3.13Å; S73-A76 PolarHBondContact OG-N 3.03Å; S73-A76 PolarHBondContact OG-O 3.28Å | ||
| 74 | L | 40.2 | Very low | 42.4 | Very low | 190 Ų | 190 | 84.4 Ų | 84.4 | 100% | 0.995 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -112.7 | 6.4 | 136.1 | -103.2 | 109.1 | 0 | 0 | 0 | 112.8 | ||
| 75 | S | 36.3 | Very low | 41.5 | Very low | 119 Ų | 119 | 83.7 Ų | 83.7 | 83% | 0.832 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -115.8 | -7.4 | -176.9 | -163.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 76 | A | 36.8 | Very low | 40.6 | Very low | 38 Ų | 38 | 86.7 Ų | 86.7 | 31% | 0.314 | 51% | 0.506 | S | S | . | . | trans | -143.1 | 78.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S73 N78 C79 | S73-A76 PolarHBondContact OG-N 3.03Å; S73-A76 PolarHBondContact OG-O 3.28Å; A76-N78 PolarHBondContact O-N 2.61Å; A76-C79 HydrophobicContact CB-CB 4.3Å; A76-C79 PolarHBondContact O-N 2.88Å | ||
| 77 | T | 43.5 | Very low | 40.1 | Very low | 119 Ų | 119 | 88.4 Ų | 88.4 | 73% | 0.73 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -61.5 | -18.4 | 168.3 | 35.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 78 | N | 40.4 | Very low | 39.3 | Very low | 151 Ų | 151 | 90.9 Ų | 90.9 | 81% | 0.807 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -82 | -11.8 | 177.5 | -69.7 | -34.3 | 0 | 0 | 0 | 114.8 | A76 | A76-N78 PolarHBondContact O-N 2.61Š|
| 79 | C | 36.1 | Very low | 38.6 | Very low | 65 Ų | 65 | 92.3 Ų | 92.3 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -92.3 | -10.2 | -179.9 | -70.7 | 0 | 0 | 0 | 0 | 114 | A76 S81 S82 I83 | A76-C79 HydrophobicContact CB-CB 4.3Å; A76-C79 PolarHBondContact O-N 2.88Å; C79-S81 PolarHBondContact O-N 3Å; C79-S82 WeakPolarHBondContact O-CB 3.17Å; C79-S82 PolarHBondContact O-N 3.39Å; C79-I83 WeakPolarHBondContact O-CD1 3.31Å; C79-I83 PolarHBondContact O-N 3.35Å |
| 80 | L | 40.8 | Very low | 38.3 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -29.5 | -175.9 | -70.1 | 169.9 | 0 | 0 | 0 | 112.6 | S82 I83 V84 | L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 2.93Å; L80-I83 HydrophobicContact CD2-CD1 4.48Å; L80-I83 PolarHBondContact O-N 3.44Å; L80-V84 PolarHBondContact O-N 2.93Å |
| 81 | S | 39.7 | Very low | 38.1 | Very low | 98 Ų | 98 | 102.2 Ų | 102.2 | 69% | 0.685 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -36.1 | 173 | -61.9 | 0 | 0 | 0 | 0 | 113 | C79 A85 | C79-S81 PolarHBondContact O-N 3Å; S81-A85 WeakPolarHBondContact O-CB 3.19Å; S81-A85 PolarHBondContact O-N 3.4Å; S81-A85 VanDerWaalsContact O-N 3.13Å |
| 82 | S | 33.8 | Very low | 37.9 | Very low | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.7 | -27.1 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 113 | C79 L80 A85 L86 | C79-S82 WeakPolarHBondContact O-CB 3.17Å; C79-S82 PolarHBondContact O-N 3.39Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 2.93Å; S82-A85 WeakPolarHBondContact O-CB 3.41Å; S82-L86 PolarHBondContact O-N 3.26Å; S82-L86 VanDerWaalsContact O-N 3.08Å |
| 83 | I | 38.6 | Very low | 38 | Very low | 42 Ų | 42 | 93.4 Ų | 93.4 | 22% | 0.215 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -78.2 | -38.8 | 178.8 | -71.8 | 138.2 | 0 | 0 | 0 | 111.3 | L66 V69 C79 L80 A85 L86 K87 | L66-I83 HydrophobicContact CD1-CG2 4.48Å; V69-I83 HydrophobicContact CB-CD1 4.27Å; V69-I83 HydrophobicContact CB-CG1 4.41Å; V69-I83 HydrophobicContact CG1-CB 4.35Å; V69-I83 HydrophobicContact CG1-CD1 3.21Å; V69-I83 HydrophobicContact CG1-CG1 3.73Å; V69-I83 HydrophobicContact CG1-CG2 3.96Å; V69-I83 HydrophobicContact CG2-CD1 4.06Å; V69-I83 HydrophobicContact CG2-CG1 3.81Å; V69-I83 HydrophobicContact CG2-CG2 4.29Å; C79-I83 WeakPolarHBondContact O-CD1 3.31Å; C79-I83 PolarHBondContact O-N 3.35Å; L80-I83 HydrophobicContact CD2-CD1 4.48Å; L80-I83 PolarHBondContact O-N 3.44Å; I83-A85 VanDerWaalsContact C-N 3.26Å; I83-L86 PolarHBondContact O-N 3.36Å; I83-K87 PolarHBondContact O-N 2.79Å |
| 84 | V | 41.4 | Very low | 38 | Very low | 89 Ų | 89 | 100.4 Ų | 100.4 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.4 | -35.5 | 171.1 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | L80 K87 F88 | L80-V84 PolarHBondContact O-N 2.93Å; V84-K87 WeakPolarHBondContact O-CB 3.38Å; V84-K87 PolarHBondContact O-N 3.1Å; V84-K87 VanDerWaalsContact O-N 3.14Å; V84-F88 PolarHBondContact O-N 3.42Å |
| 85 | A | 38.5 | Very low | 37.7 | Very low | 40 Ų | 40 | 96 Ų | 96 | 33% | 0.331 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S81 S82 I83 K87 F88 D89 | S81-A85 WeakPolarHBondContact O-CB 3.19Å; S81-A85 PolarHBondContact O-N 3.4Å; S81-A85 VanDerWaalsContact O-N 3.13Å; S82-A85 WeakPolarHBondContact O-CB 3.41Å; I83-A85 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3.41Å; A85-F88 PolarHBondContact O-N 2.94Å; A85-D89 PolarHBondContact O-N 3.12Å |
| 86 | L | 37.8 | Very low | 37.8 | Very low | 119 Ų | 119 | 95.1 Ų | 95.1 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61 | -30.4 | 174 | -122 | 104.5 | 0 | 0 | 0 | 113 | S82 I83 F88 | S82-L86 PolarHBondContact O-N 3.26Å; S82-L86 VanDerWaalsContact O-N 3.08Å; I83-L86 PolarHBondContact O-N 3.36Å; L86-F88 VanDerWaalsContact C-N 3.34Å |
| 87 | K | 41.1 | Very low | 37.8 | Very low | 62 Ų | 62 | 98.3 Ų | 98.3 | 27% | 0.27 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.5 | -19.1 | 176.6 | -174.5 | 155.5 | 152.2 | 61.8 | 0 | 112.8 | I24 I83 V84 A85 | I24-K87 VanDerWaalsContact CD1-CE 3.41Å; I83-K87 PolarHBondContact O-N 2.79Å; V84-K87 WeakPolarHBondContact O-CB 3.38Å; V84-K87 PolarHBondContact O-N 3.1Å; V84-K87 VanDerWaalsContact O-N 3.14Å; A85-K87 PolarHBondContact O-N 3.41Å |
| 88 | F | 33.4 | Very low | 37 | Very low | 106 Ų | 106 | 98.8 Ų | 98.8 | 47% | 0.465 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -85.1 | -28.3 | 176.5 | -130.4 | -91.6 | 0 | 0 | 0 | 113 | V84 A85 L86 L90 R91 | V84-F88 PolarHBondContact O-N 3.42Å; A85-F88 PolarHBondContact O-N 2.94Å; L86-F88 VanDerWaalsContact C-N 3.34Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 3.21Å; F88-R91 PolarHBondContact O-N 3.4Å; F88-R91 VanDerWaalsContact O-N 3.1Å |
| 89 | D | 31.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 96.9 Ų | 96.9 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.4 | -33.8 | -178.8 | -157.7 | -103.7 | 0 | 0 | 0 | 112.8 | A85 R91 G92 | A85-D89 PolarHBondContact O-N 3.12Å; D89-R91 PolarHBondContact O-N 3.28Å; D89-R91 VanDerWaalsContact O-N 3.09Å; D89-G92 PolarHBondContact O-N 3Å |
| 90 | L | 39.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -7.2 | 174.9 | -83.5 | 157.4 | 0 | 0 | 0 | 114.8 | P58 T62 F88 | P58-L90 HydrophobicContact CB-CD2 4.45Å; T62-L90 HydrophobicContact CG2-CD1 4.45Å; T62-L90 WeakPolarHBondContact OG1-CD1 3.2Å; F88-L90 VanDerWaalsContact C-N 3.31Å; F88-L90 PolarHBondContact O-N 3.21Å |
| 91 | R | 40.3 | Very low | 36.7 | Very low | 181 Ų | 181 | 106.5 Ų | 106.5 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 7.3 | -179.6 | -165.8 | 155.5 | 144.8 | -115.8 | 0.7 | 113.5 | F88 D89 | F88-R91 PolarHBondContact O-N 3.4Å; F88-R91 VanDerWaalsContact O-N 3.1Å; D89-R91 PolarHBondContact O-N 3.28Å; D89-R91 VanDerWaalsContact O-N 3.09Å |
| 92 | G | 36.1 | Very low | 36.6 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 68% | 0.68 | 62% | 0.62 | S | S | * | * | trans | 72.5 | 58.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D89 | D89-G92 PolarHBondContact O-N 3Š| ||
| 93 | S | 35.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 108.8 Ų | 108.8 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | trans | -139 | 121.4 | 167.2 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | C95 | S93-C95 PolarHBondContact O-N 3Š| ||
| 94 | H | 35.9 | Very low | 36.6 | Very low | 183 Ų | 183 | 112.8 Ų | 112.8 | 85% | 0.847 | 65% | 0.65 | S | S | * | * | trans | -41.8 | 118.2 | 178.4 | -83.7 | -155.3 | 0 | 0 | 0 | 111.6 | S96 | H94-S96 PolarHBondContact O-N 3.11Š| ||
| 95 | C | 34.3 | Very low | 36.3 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | trans | -72.6 | 82.4 | 167.7 | -108.8 | 0 | 0 | 0 | 0 | 109.1 | S93 | S93-C95 PolarHBondContact O-N 3Š| ||
| 96 | S | 37.8 | Very low | 36.2 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -89.6 | 119.1 | 163.4 | -53.1 | 0 | 0 | 0 | 0 | 107.7 | H94 | H94-S96 PolarHBondContact O-N 3.11Š| ||
| 97 | S | 36.8 | Very low | 36 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | 98.8 | 90.8 | 164.4 | -146.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 98 | C | 28.1 | Very low | 35.7 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -102.9 | 111.7 | 136.3 | -63.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 99 | P | 37.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | -77.6 | 149 | 156.9 | 27.9 | -21.2 | 0 | 0 | 0 | 109.7 | ||||
| 100 | N | 37.2 | Very low | 36.2 | Very low | 237 Ų | 237 | 126.9 Ų | 126.9 | 100% | 1.267 | 75% | 0.751 | S | S | * | * | trans | -39 | 0 | -169 | -161.8 | -104.1 | 0 | 0 | 0 | 116.4 |
Retrieved 100 of 100 residues in 191.8 ms
(Link to these results)