| 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 | 44.3 | Very low | 58.4 | Low | 218 Ų | 218 | 90.5 Ų | 90.5 | 100% | 1.074 | 51% | 0.508 | S | S | * | . | 0 | 142.1 | 0 | -79.2 | 77.1 | 152.5 | 0 | 0 | 110.1 | |||||
| 2 | N | 42.3 | Very low | 59.2 | Low | 118 Ų | 118 | 88.2 Ų | 88.2 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | trans | -82.3 | 123.4 | 178.3 | -173.3 | -22.1 | 0 | 0 | 0 | 110.2 | V4 | N2-V4 PolarHBondContact O-N 2.8Å; N2-V4 VanDerWaalsContact O-N 3.1Å; N2-V4 WeakPolarHBondContact OD1-CB 3.05Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.36Å; N2-V4 PolarHBondContact OD1-N 2.88Å; N2-V4 VanDerWaalsContact OD1-N 3.16Å | ||
| 3 | P | 51 | Low | 59.9 | Low | 90 Ų | 90 | 82.9 Ų | 82.9 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.7 | -176.5 | 26.7 | -36.3 | 0 | 0 | 0 | 114.3 | N5 A6 T7 | P3-N5 PolarHBondContact O-N 2.73Å; P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 2.9Å; P3-T7 PolarHBondContact O-N 2.95Å; P3-T7 PolarHBondContact O-OG1 3.34Å; P3-T7 VanDerWaalsContact O-OG1 3.13Å |
| 4 | V | 51.8 | Low | 60.5 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -56 | -35.6 | -179.2 | 174 | 0 | 0 | 0 | 0 | 112.5 | N2 A8 | N2-V4 PolarHBondContact O-N 2.8Å; N2-V4 VanDerWaalsContact O-N 3.1Å; N2-V4 WeakPolarHBondContact OD1-CB 3.05Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.36Å; N2-V4 PolarHBondContact OD1-N 2.88Å; N2-V4 VanDerWaalsContact OD1-N 3.16Å; V4-A8 WeakPolarHBondContact O-CB 3.38Å; V4-A8 PolarHBondContact O-N 3.36Å; V4-A8 VanDerWaalsContact O-N 3.08Å |
| 5 | N | 61.2 | Low | 61 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.3 | -35.2 | 178 | -162.7 | 63.5 | 0 | 0 | 0 | 112.5 | P3 L9 | P3-N5 PolarHBondContact O-N 2.73Å; N5-L9 PolarHBondContact O-N 3.38Å |
| 6 | A | 59.6 | Low | 61.5 | Low | 24 Ų | 24 | 84.8 Ų | 84.8 | 20% | 0.198 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P3 L9 Y10 | P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 2.9Å; A6-L9 PolarHBondContact O-N 2.7Å; A6-Y10 WeakPolarHBondContact O-CB 3.24Å; A6-Y10 PolarHBondContact O-N 2.86Å |
| 7 | T | 61.1 | Low | 61.7 | Low | 74 Ų | 74 | 81.9 Ų | 81.9 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.1 | -46.6 | 0 | 0 | 0 | 0 | 112 | P3 Y10 I11 | P3-T7 PolarHBondContact O-N 2.95Å; P3-T7 PolarHBondContact O-OG1 3.34Å; P3-T7 VanDerWaalsContact O-OG1 3.13Å; T7-Y10 WeakPolarHBondContact O-CB 3.1Å; T7-Y10 PolarHBondContact O-N 3.49Å; T7-I11 HydrophobicContact CG2-CD1 4.03Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.27Å; T7-I11 PolarHBondContact O-N 2.88Å |
| 8 | A | 68.5 | Low | 62.1 | Low | 56 Ų | 56 | 85.4 Ų | 85.4 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V4 I11 S12 | V4-A8 WeakPolarHBondContact O-CB 3.38Å; V4-A8 PolarHBondContact O-N 3.36Å; V4-A8 VanDerWaalsContact O-N 3.08Å; A8-I11 PolarHBondContact O-N 3.34Å; A8-S12 PolarHBondContact O-N 3.08Å; A8-S12 PolarHBondContact O-OG 3.2Å |
| 9 | L | 66.8 | Low | 62.3 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 173.7 | -80 | 166.7 | 0 | 0 | 0 | 112.5 | N5 A6 S12 A13 | N5-L9 PolarHBondContact O-N 3.38Å; A6-L9 PolarHBondContact O-N 2.7Å; L9-S12 PolarHBondContact O-OG 3.32Å; L9-A13 VanDerWaalsContact O-CB 3.24Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.86Å |
| 10 | Y | 65.4 | Low | 62.6 | Low | 62 Ų | 62 | 88.6 Ų | 88.6 | 24% | 0.243 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 174.9 | 175.4 | -125.1 | 0 | 0 | 0 | 112.1 | A6 T7 S12 S14 F38 L72 | A6-Y10 WeakPolarHBondContact O-CB 3.24Å; A6-Y10 PolarHBondContact O-N 2.86Å; T7-Y10 WeakPolarHBondContact O-CB 3.1Å; T7-Y10 PolarHBondContact O-N 3.49Å; Y10-S12 VanDerWaalsContact C-N 3.35Å; Y10-S14 WeakPolarHBondContact CD2-OG 3.12Å; Y10-S14 WeakPolarHBondContact CE2-OG 3.38Å; Y10-S14 WeakPolarHBondContact O-CB 3.32Å; Y10-S14 PolarHBondContact O-N 3.47Å; Y10-S14 PolarHBondContact O-OG 3.02Å; Y10-F38 HydrophobicContact CD2-CD2 4.4Å; Y10-F38 HydrophobicContact CD2-CE1 4.46Å; Y10-F38 AromaticContact CD2-CE2 3.21Å; Y10-F38 HydrophobicContact CD2-CE2 3.21Å; Y10-F38 AromaticContact CD2-CZ 3.21Å; Y10-F38 HydrophobicContact CD2-CZ 3.21Å; Y10-F38 HydrophobicContact CE2-CE2 4.13Å; Y10-F38 AromaticContact CE2-CZ 3.66Å; Y10-F38 HydrophobicContact CE2-CZ 3.66Å; Y10-F38 AromaticContact CG-CE2 3.88Å; Y10-F38 HydrophobicContact CG-CE2 3.88Å; Y10-F38 HydrophobicContact CG-CZ 4.23Å; Y10-L72 HydrophobicContact CE1-CD2 3.67Å; Y10-L72 WeakPolarHBondContact OH-CD2 3.18Å; Y10-L72 WeakPolarHBondContact OH-CG 3.47Å |
| 11 | I | 70 | Confident | 62.8 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | -178.6 | -66.2 | 166 | 0 | 0 | 0 | 110.4 | T7 A8 R15 | T7-I11 HydrophobicContact CG2-CD1 4.03Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.27Å; T7-I11 PolarHBondContact O-N 2.88Å; A8-I11 PolarHBondContact O-N 3.34Å; I11-R15 WeakPolarHBondContact O-CB 3.23Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.39Å |
| 12 | S | 68.1 | Low | 63.6 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 178.3 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | A8 L9 Y10 S14 R15 L16 | A8-S12 PolarHBondContact O-N 3.08Å; A8-S12 PolarHBondContact O-OG 3.2Å; L9-S12 PolarHBondContact O-OG 3.32Å; Y10-S12 VanDerWaalsContact C-N 3.35Å; S12-S14 PolarHBondContact O-N 3.31Å; S12-R15 PolarHBondContact O-N 3.34Å; S12-L16 PolarHBondContact O-N 2.8Å |
| 13 | A | 68.9 | Low | 64.9 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 R15 L16 V17 | L9-A13 VanDerWaalsContact O-CB 3.24Å; L9-A13 WeakPolarHBondContact O-CB 3.44Å; L9-A13 PolarHBondContact O-N 2.86Å; A13-R15 PolarHBondContact O-N 3.42Å; A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 2.83Å; A13-L16 VanDerWaalsContact O-N 3.16Å; A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 2.83Å |
| 14 | S | 67.8 | Low | 65.4 | Low | 24 Ų | 24 | 80.8 Ų | 80.8 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64 | -40 | 178.3 | -60.9 | 0 | 0 | 0 | 0 | 112 | Y10 S12 L16 V17 L18 | Y10-S14 WeakPolarHBondContact CD2-OG 3.12Å; Y10-S14 WeakPolarHBondContact CE2-OG 3.38Å; Y10-S14 WeakPolarHBondContact O-CB 3.32Å; Y10-S14 PolarHBondContact O-N 3.47Å; Y10-S14 PolarHBondContact O-OG 3.02Å; S12-S14 PolarHBondContact O-N 3.31Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.82Å; S14-V17 PolarHBondContact O-N 2.76Å; S14-L18 VanDerWaalsContact O-CB 3.27Å; S14-L18 WeakPolarHBondContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CD1 3.34Å; S14-L18 VanDerWaalsContact O-CG 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.33Å; S14-L18 PolarHBondContact O-N 2.9Å |
| 15 | R | 69 | Low | 65.9 | Low | 181 Ų | 181 | 80.6 Ų | 80.6 | 68% | 0.683 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.2 | -37.5 | 173.5 | -78.9 | 179.1 | 170 | 162.5 | -1.1 | 112.2 | I11 S12 A13 N19 | I11-R15 WeakPolarHBondContact O-CB 3.23Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.39Å; S12-R15 PolarHBondContact O-N 3.34Å; A13-R15 PolarHBondContact O-N 3.42Å; R15-N19 WeakPolarHBondContact O-CB 3.32Å; R15-N19 PolarHBondContact O-N 3.49Å |
| 16 | L | 68.1 | Low | 66 | Low | 74 Ų | 74 | 82.7 Ų | 82.7 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.3 | -158.4 | 72.8 | 0 | 0 | 0 | 112 | S12 A13 S14 Y20 E30 I31 L34 | S12-L16 PolarHBondContact O-N 2.8Å; A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 2.83Å; A13-L16 VanDerWaalsContact O-N 3.16Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.82Å; L16-Y20 PolarHBondContact O-N 2.97Å; L16-E30 HydrophobicContact CD2-CG 4.33Å; L16-I31 HydrophobicContact CD2-CG1 3.98Å; L16-I31 HydrophobicContact CG-CG1 4.22Å; L16-L34 HydrophobicContact CD2-CD1 3.72Å |
| 17 | V | 65.9 | Low | 66.3 | Low | 36 Ų | 36 | 82.8 Ų | 82.8 | 22% | 0.218 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | A13 S14 N19 Y20 I31 I79 L80 | A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 2.83Å; S14-V17 PolarHBondContact O-N 2.76Å; V17-N19 VanDerWaalsContact C-N 3.32Å; V17-N19 PolarHBondContact O-N 3.05Å; V17-Y20 WeakPolarHBondContact O-CB 3.48Å; V17-Y20 PolarHBondContact O-N 3.5Å; V17-I31 HydrophobicContact CG2-CD1 4.1Å; V17-I31 HydrophobicContact CG2-CG1 4.1Å; V17-I31 HydrophobicContact CG2-CG2 3.72Å; V17-I79 HydrophobicContact CG1-CG2 4.41Å; V17-L80 HydrophobicContact CG2-CD1 4.48Å |
| 18 | L | 67.2 | Low | 66.4 | Low | 144 Ų | 144 | 85 Ų | 85 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.8 | -28.1 | 180 | -73.9 | 165.4 | 0 | 0 | 0 | 112.9 | S14 Y20 | S14-L18 VanDerWaalsContact O-CB 3.27Å; S14-L18 WeakPolarHBondContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CD1 3.34Å; S14-L18 VanDerWaalsContact O-CG 3.24Å; S14-L18 WeakPolarHBondContact O-CG 3.33Å; S14-L18 PolarHBondContact O-N 2.9Å; L18-Y20 VanDerWaalsContact C-N 3.34Å |
| 19 | N | 66 | Low | 66.3 | Low | 145 Ų | 145 | 85.4 Ų | 85.4 | 78% | 0.775 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 20.5 | 178 | -149.4 | 41.7 | 0 | 0 | 0 | 112.1 | R15 V17 D21 | R15-N19 WeakPolarHBondContact O-CB 3.32Å; R15-N19 PolarHBondContact O-N 3.49Å; V17-N19 VanDerWaalsContact C-N 3.32Å; V17-N19 PolarHBondContact O-N 3.05Å; N19-D21 PolarHBondContact O-N 3.43Å |
| 20 | Y | 69.1 | Low | 66.3 | Low | 90 Ų | 90 | 87.5 Ų | 87.5 | 35% | 0.353 | 47% | 0.469 | S | S | . | . | trans | -64.4 | 120.7 | 179 | 172.8 | -105.5 | 0 | 0 | 0 | 110.7 | L16 V17 L18 P22 A27 F28 I31 | L16-Y20 PolarHBondContact O-N 2.97Å; V17-Y20 WeakPolarHBondContact O-CB 3.48Å; V17-Y20 PolarHBondContact O-N 3.5Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-P22 HydrophobicContact CE1-CB 4.21Å; Y20-A27 HydrophobicContact CD2-CB 3.89Å; Y20-A27 HydrophobicContact CE2-CB 3.99Å; Y20-F28 HydrophobicContact CE2-CB 4.12Å; Y20-I31 HydrophobicContact CD2-CD1 3.87Å; Y20-I31 HydrophobicContact CG-CD1 4.47Å | ||
| 21 | D | 66.9 | Low | 66.5 | Low | 104 Ų | 104 | 85.1 Ų | 85.1 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | trans | -90 | 120.3 | 171.2 | -169 | -84.2 | 0 | 0 | 0 | 109.4 | N19 G23 D24 | N19-D21 PolarHBondContact O-N 3.43Å; D21-G23 PolarHBondContact O-N 3.16Å; D21-G23 VanDerWaalsContact O-N 3.08Å; D21-G23 WeakPolarHBondContact OD1-CA 3.32Å; D21-G23 PolarHBondContact OD1-N 3.46Å; D21-D24 PolarHBondContact O-N 3.03Å | ||
| 22 | P | 61.5 | Low | 66.1 | Low | 111 Ų | 111 | 84.9 Ų | 84.9 | 72% | 0.721 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.7 | -177.3 | 28.6 | -34.9 | 0 | 0 | 0 | 113.7 | Y20 | Y20-P22 HydrophobicContact CE1-CB 4.21Š|
| 23 | G | 70.1 | Confident | 66 | Low | 63 Ų | 63 | 89.7 Ų | 89.7 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D21 P25 | D21-G23 PolarHBondContact O-N 3.16Å; D21-G23 VanDerWaalsContact O-N 3.08Å; D21-G23 WeakPolarHBondContact OD1-CA 3.32Å; D21-G23 PolarHBondContact OD1-N 3.46Å; G23-P25 WeakPolarHBondContact O-CD 3.37Å |
| 24 | D | 61.3 | Low | 65.7 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | trans | -111.1 | 106.3 | -174.6 | -167.2 | -87.4 | 0 | 0 | 0 | 112.9 | D21 K26 A27 | D21-D24 PolarHBondContact O-N 3.03Å; D24-K26 PolarHBondContact O-N 3.35Å; D24-K26 WeakPolarHBondContact OD1-CA 3.41Å; D24-K26 VanDerWaalsContact OD1-CB 3.23Å; D24-K26 WeakPolarHBondContact OD1-CB 3.15Å; D24-K26 PolarHBondContact OD1-N 2.89Å; D24-A27 HydrophobicContact CB-CB 4.39Å; D24-A27 PolarHBondContact O-N 3Å; D24-A27 PolarHBondContact OD1-N 3.49Å | ||
| 25 | P | 62.6 | Low | 65.6 | Low | 96 Ų | 96 | 92.6 Ų | 92.6 | 62% | 0.623 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.5 | -14.8 | 179.3 | 27.7 | -33.8 | 0 | 0 | 0 | 113.6 | G23 T29 | G23-P25 WeakPolarHBondContact O-CD 3.37Å; P25-T29 PolarHBondContact O-N 2.92Å; P25-T29 PolarHBondContact O-OG1 3.07Å |
| 26 | K | 63.3 | Low | 65.3 | Low | 163 Ų | 163 | 87 Ų | 87 | 71% | 0.709 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -75.1 | -36.4 | 175.3 | -70.4 | 178.7 | 174.2 | 179.2 | 0 | 111 | D24 F28 T29 E30 | D24-K26 PolarHBondContact O-N 3.35Å; D24-K26 WeakPolarHBondContact OD1-CA 3.41Å; D24-K26 VanDerWaalsContact OD1-CB 3.23Å; D24-K26 WeakPolarHBondContact OD1-CB 3.15Å; D24-K26 PolarHBondContact OD1-N 2.89Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.33Å; K26-T29 WeakPolarHBondContact O-CB 3.21Å; K26-T29 PolarHBondContact O-N 3.18Å; K26-E30 PolarHBondContact O-N 3.48Å |
| 27 | A | 65.1 | Low | 65 | Low | 25 Ų | 25 | 90.3 Ų | 90.3 | 21% | 0.207 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y20 D24 T29 E30 I31 | Y20-A27 HydrophobicContact CD2-CB 3.89Å; Y20-A27 HydrophobicContact CE2-CB 3.99Å; D24-A27 HydrophobicContact CB-CB 4.39Å; D24-A27 PolarHBondContact O-N 3Å; D24-A27 PolarHBondContact OD1-N 3.49Å; A27-T29 PolarHBondContact O-N 2.85Å; A27-E30 PolarHBondContact O-N 3.04Å; A27-I31 WeakPolarHBondContact O-CD1 3.15Å; A27-I31 VanDerWaalsContact O-CG1 3.23Å; A27-I31 WeakPolarHBondContact O-CG1 3.37Å; A27-I31 PolarHBondContact O-N 2.85Å |
| 28 | F | 63.9 | Low | 64.9 | Low | 120 Ų | 120 | 89.9 Ų | 89.9 | 53% | 0.526 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175.4 | -176.9 | -104.1 | 0 | 0 | 0 | 112.6 | Y20 K26 N32 | Y20-F28 HydrophobicContact CE2-CB 4.12Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.33Å; F28-N32 WeakPolarHBondContact CD1-ND2 3.39Å; F28-N32 WeakPolarHBondContact CE1-ND2 3.23Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.49Å; F28-N32 WeakPolarHBondContact O-CB 3.39Å; F28-N32 PolarHBondContact O-N 3.39Å; F28-N32 PolarHBondContact O-ND2 3.02Å |
| 29 | T | 66.6 | Low | 64.6 | Low | 66 Ų | 66 | 87.7 Ų | 87.7 | 41% | 0.405 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111.4 | P25 K26 A27 N32 R33 | P25-T29 PolarHBondContact O-N 2.92Å; P25-T29 PolarHBondContact O-OG1 3.07Å; K26-T29 WeakPolarHBondContact O-CB 3.21Å; K26-T29 PolarHBondContact O-N 3.18Å; A27-T29 PolarHBondContact O-N 2.85Å; T29-N32 PolarHBondContact O-N 2.95Å; T29-R33 WeakPolarHBondContact O-CG 3.48Å; T29-R33 PolarHBondContact O-N 3.42Å |
| 30 | E | 66.9 | Low | 64.3 | Low | 102 Ų | 102 | 87.2 Ų | 87.2 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 177.7 | -154.6 | 85.5 | 148.8 | 0 | 0 | 111.4 | L16 K26 A27 R33 L34 | L16-E30 HydrophobicContact CD2-CG 4.33Å; K26-E30 PolarHBondContact O-N 3.48Å; A27-E30 PolarHBondContact O-N 3.04Å; E30-R33 PolarHBondContact O-N 2.93Å; E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.34Å |
| 31 | I | 67.9 | Low | 63.6 | Low | 12 Ų | 12 | 85 Ų | 85 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 175 | -69.5 | 163.1 | 0 | 0 | 0 | 110.7 | L16 V17 Y20 A27 R33 L34 L35 L80 | L16-I31 HydrophobicContact CD2-CG1 3.98Å; L16-I31 HydrophobicContact CG-CG1 4.22Å; V17-I31 HydrophobicContact CG2-CD1 4.1Å; V17-I31 HydrophobicContact CG2-CG1 4.1Å; V17-I31 HydrophobicContact CG2-CG2 3.72Å; Y20-I31 HydrophobicContact CD2-CD1 3.87Å; Y20-I31 HydrophobicContact CG-CD1 4.47Å; A27-I31 WeakPolarHBondContact O-CD1 3.15Å; A27-I31 VanDerWaalsContact O-CG1 3.23Å; A27-I31 WeakPolarHBondContact O-CG1 3.37Å; A27-I31 PolarHBondContact O-N 2.85Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 2.89Å; I31-L34 VanDerWaalsContact O-N 3.15Å; I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 WeakPolarHBondContact O-CD1 3.23Å; I31-L35 PolarHBondContact O-N 3.46Å; I31-L80 HydrophobicContact CG2-CD2 4.12Å |
| 32 | N | 62.7 | Low | 63 | Low | 73 Ų | 73 | 83.9 Ų | 83.9 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 177.3 | -85.5 | -70.8 | 0 | 0 | 0 | 113.1 | F28 T29 P36 | F28-N32 WeakPolarHBondContact CD1-ND2 3.39Å; F28-N32 WeakPolarHBondContact CE1-ND2 3.23Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.49Å; F28-N32 WeakPolarHBondContact O-CB 3.39Å; F28-N32 PolarHBondContact O-N 3.39Å; F28-N32 PolarHBondContact O-ND2 3.02Å; T29-N32 PolarHBondContact O-N 2.95Å; N32-P36 WeakPolarHBondContact O-CD 3.38Å |
| 33 | R | 64.5 | Low | 62.6 | Low | 163 Ų | 163 | 80.1 Ų | 80.1 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71.5 | -33.5 | 173.3 | -80.7 | -178.3 | 169.8 | 146.4 | -1.1 | 113 | T29 E30 I31 P36 Y37 | T29-R33 WeakPolarHBondContact O-CG 3.48Å; T29-R33 PolarHBondContact O-N 3.42Å; E30-R33 PolarHBondContact O-N 2.93Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.46Å; R33-P36 WeakPolarHBondContact O-CD 3.39Å; R33-P36 WeakPolarHBondContact O-CG 3.47Å; R33-Y37 WeakPolarHBondContact O-CD2 3.27Å; R33-Y37 WeakPolarHBondContact O-CE2 3.13Å |
| 34 | L | 63.1 | Low | 61.6 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -81 | -25.2 | -179.9 | -72.2 | 167.3 | 0 | 0 | 0 | 113.1 | L16 E30 I31 Y37 F38 | L16-L34 HydrophobicContact CD2-CD1 3.72Å; E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.34Å; I31-L34 PolarHBondContact O-N 2.89Å; I31-L34 VanDerWaalsContact O-N 3.15Å; L34-Y37 PolarHBondContact O-N 2.96Å; L34-F38 WeakPolarHBondContact O-CB 3.43Å; L34-F38 PolarHBondContact O-N 3.43Å |
| 35 | L | 65.4 | Low | 60.8 | Low | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -51.3 | -47.9 | 177 | -121 | 81.4 | 0 | 0 | 0 | 115.7 | I31 F38 R39 L80 | I31-L35 HydrophobicContact CG2-CD1 3.94Å; I31-L35 WeakPolarHBondContact O-CD1 3.23Å; I31-L35 PolarHBondContact O-N 3.46Å; L35-F38 WeakPolarHBondContact O-CB 3.18Å; L35-F38 PolarHBondContact O-N 3.4Å; L35-R39 PolarHBondContact O-N 2.91Å; L35-L80 HydrophobicContact CD1-CD1 3.77Å; L35-L80 HydrophobicContact CD1-CD2 3.28Å; L35-L80 HydrophobicContact CD1-CG 4.14Å; L35-L80 HydrophobicContact CD2-CD2 3.86Å; L35-L80 HydrophobicContact CG-CD2 4.16Å |
| 36 | P | 64.3 | Low | 59.8 | Low | 64 Ų | 64 | 82.8 Ų | 82.8 | 42% | 0.416 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 178.6 | 22.2 | -32.9 | 0 | 0 | 0 | 112.6 | N32 R33 F38 R39 Q40 | N32-P36 WeakPolarHBondContact O-CD 3.38Å; R33-P36 WeakPolarHBondContact O-CD 3.39Å; R33-P36 WeakPolarHBondContact O-CG 3.47Å; P36-F38 VanDerWaalsContact C-N 3.29Å; P36-F38 PolarHBondContact O-N 2.99Å; P36-R39 WeakPolarHBondContact O-CB 3.11Å; P36-R39 PolarHBondContact O-N 2.96Å; P36-Q40 WeakPolarHBondContact O-CG 3.13Å; P36-Q40 PolarHBondContact O-N 3.02Å |
| 37 | Y | 61.9 | Low | 59.1 | Low | 143 Ų | 143 | 77.7 Ų | 77.7 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.2 | -34.5 | 174.8 | -65.7 | -74.9 | 0 | 0 | 0 | 111.9 | R33 L34 Q40 S41 | R33-Y37 WeakPolarHBondContact O-CD2 3.27Å; R33-Y37 WeakPolarHBondContact O-CE2 3.13Å; L34-Y37 PolarHBondContact O-N 2.96Å; Y37-Q40 PolarHBondContact O-N 3.04Å; Y37-S41 WeakPolarHBondContact O-CB 3.3Å; Y37-S41 PolarHBondContact O-N 2.97Å; Y37-S41 PolarHBondContact O-OG 3.03Å |
| 38 | F | 62.5 | Low | 58 | Low | 28 Ų | 28 | 84.7 Ų | 84.7 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173.6 | -176.3 | -113.1 | 0 | 0 | 0 | 112 | Y10 L34 L35 P36 Q40 S41 L42 | Y10-F38 HydrophobicContact CD2-CD2 4.4Å; Y10-F38 HydrophobicContact CD2-CE1 4.46Å; Y10-F38 AromaticContact CD2-CE2 3.21Å; Y10-F38 HydrophobicContact CD2-CE2 3.21Å; Y10-F38 AromaticContact CD2-CZ 3.21Å; Y10-F38 HydrophobicContact CD2-CZ 3.21Å; Y10-F38 HydrophobicContact CE2-CE2 4.13Å; Y10-F38 AromaticContact CE2-CZ 3.66Å; Y10-F38 HydrophobicContact CE2-CZ 3.66Å; Y10-F38 AromaticContact CG-CE2 3.88Å; Y10-F38 HydrophobicContact CG-CE2 3.88Å; Y10-F38 HydrophobicContact CG-CZ 4.23Å; L34-F38 WeakPolarHBondContact O-CB 3.43Å; L34-F38 PolarHBondContact O-N 3.43Å; L35-F38 WeakPolarHBondContact O-CB 3.18Å; L35-F38 PolarHBondContact O-N 3.4Å; P36-F38 VanDerWaalsContact C-N 3.29Å; P36-F38 PolarHBondContact O-N 2.99Å; F38-Q40 VanDerWaalsContact C-N 3.31Å; F38-Q40 PolarHBondContact O-N 3.27Å; F38-S41 PolarHBondContact O-N 3.15Å; F38-L42 HydrophobicContact CD1-CD1 4.18Å; F38-L42 HydrophobicContact CD2-CD1 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.48Å; F38-L42 VanDerWaalsContact CE1-CD1 3.48Å; F38-L42 HydrophobicContact CE2-CD1 3.61Å; F38-L42 HydrophobicContact CE2-CG 4.02Å; F38-L42 HydrophobicContact CZ-CD1 3.16Å; F38-L42 HydrophobicContact CZ-CG 4.08Å; F38-L42 PolarHBondContact O-N 3.36Å |
| 39 | R | 61 | Low | 57.2 | Low | 98 Ų | 98 | 81.6 Ų | 81.6 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 171.7 | -93.3 | -72.2 | -154.1 | -123.4 | 6.5 | 112.2 | L35 P36 S43 | L35-R39 PolarHBondContact O-N 2.91Å; P36-R39 WeakPolarHBondContact O-CB 3.11Å; P36-R39 PolarHBondContact O-N 2.96Å; R39-S43 WeakPolarHBondContact O-CB 3.4Å; R39-S43 PolarHBondContact O-N 3.02Å |
| 40 | Q | 59.1 | Low | 55.9 | Low | 135 Ų | 135 | 81.3 Ų | 81.3 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 177.2 | -76.1 | 174.2 | -13.6 | 0 | 0 | 112.5 | P36 Y37 F38 L42 S43 | P36-Q40 WeakPolarHBondContact O-CG 3.13Å; P36-Q40 PolarHBondContact O-N 3.02Å; Y37-Q40 PolarHBondContact O-N 3.04Å; F38-Q40 VanDerWaalsContact C-N 3.31Å; F38-Q40 PolarHBondContact O-N 3.27Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 3.24Å; Q40-S43 PolarHBondContact O-N 3.42Å |
| 41 | S | 55.9 | Low | 54.7 | Low | 44 Ų | 44 | 84.3 Ų | 84.3 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.6 | -27.2 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | Y37 F38 | Y37-S41 WeakPolarHBondContact O-CB 3.3Å; Y37-S41 PolarHBondContact O-N 2.97Å; Y37-S41 PolarHBondContact O-OG 3.03Å; F38-S41 PolarHBondContact O-N 3.15Å |
| 42 | L | 54.6 | Low | 53.4 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -96.9 | -9.5 | 175 | -67.9 | -178 | 0 | 0 | 0 | 113.7 | F38 Q40 C44 | F38-L42 HydrophobicContact CD1-CD1 4.18Å; F38-L42 HydrophobicContact CD2-CD1 4.35Å; F38-L42 HydrophobicContact CE1-CD1 3.48Å; F38-L42 VanDerWaalsContact CE1-CD1 3.48Å; F38-L42 HydrophobicContact CE2-CD1 3.61Å; F38-L42 HydrophobicContact CE2-CG 4.02Å; F38-L42 HydrophobicContact CZ-CD1 3.16Å; F38-L42 HydrophobicContact CZ-CG 4.08Å; F38-L42 PolarHBondContact O-N 3.36Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 3.24Å; L42-C44 PolarHBondContact O-N 2.56Å; L42-C44 VanDerWaalsContact O-N 3.15Å |
| 43 | S | 52.9 | Low | 52.2 | Low | 31 Ų | 31 | 94.9 Ų | 94.9 | 22% | 0.217 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -64.9 | 117 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | R39 Q40 C45 W51 | R39-S43 WeakPolarHBondContact O-CB 3.4Å; R39-S43 PolarHBondContact O-N 3.02Å; Q40-S43 PolarHBondContact O-N 3.42Å; S43-C45 PolarHBondContact O-N 3.42Å; S43-W51 PolarHBondContact OG-NE1 3.08Å |
| 44 | C | 48.1 | Very low | 51.3 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 43% | 0.432 | 51% | 0.511 | S | S | . | . | trans | -41.1 | 122.5 | 169.7 | 26.7 | 0 | 0 | 0 | 0 | 110.1 | L42 V46 C47 | L42-C44 PolarHBondContact O-N 2.56Å; L42-C44 VanDerWaalsContact O-N 3.15Å; C44-V46 HydrophobicContact CB-CB 4.48Å; C44-V46 PolarHBondContact O-N 2.97Å; C44-C47 HydrophobicContact CB-CB 4.06Å; C44-C47 WeakPolarHBondContact CB-SG 3.46Å; C44-C47 PolarHBondContact O-N 2.75Å; C44-C47 WeakPolarHBondContact SG-CB 3.44Å; C44-C47 CovalentContact SG-SG 2.05Å; C44-C47 PolarHBondContact SG-SG 3.48Å | ||
| 45 | C | 44.5 | Very low | 50.1 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 4.9 | 164.7 | -59 | 0 | 0 | 0 | 0 | 112.8 | S43 E48 | S43-C45 PolarHBondContact O-N 3.42Å; C45-E48 WeakPolarHBondContact O-CG 3.24Å; C45-E48 VanDerWaalsContact O-OE1 3.09Å |
| 46 | V | 42.4 | Very low | 48.7 | Very low | 139 Ų | 139 | 101.7 Ų | 101.7 | 84% | 0.842 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -9.3 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 111 | C44 | C44-V46 HydrophobicContact CB-CB 4.48Å; C44-V46 PolarHBondContact O-N 2.97Å |
| 47 | C | 48.5 | Very low | 47.6 | Very low | 56 Ų | 56 | 104.4 Ų | 104.4 | 38% | 0.378 | 57% | 0.574 | S | S | . | * | trans | -107.3 | 43.1 | 179.8 | -49.3 | 0 | 0 | 0 | 0 | 110.2 | C44 G49 | C44-C47 HydrophobicContact CB-CB 4.06Å; C44-C47 WeakPolarHBondContact CB-SG 3.46Å; C44-C47 PolarHBondContact O-N 2.75Å; C44-C47 WeakPolarHBondContact SG-CB 3.44Å; C44-C47 CovalentContact SG-SG 2.05Å; C44-C47 PolarHBondContact SG-SG 3.48Å; C47-G49 PolarHBondContact O-N 2.72Å | ||
| 48 | E | 42.1 | Very low | 47.2 | Very low | 172 Ų | 172 | 103.3 Ų | 103.3 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 65 | 175.2 | -42.4 | -167.9 | 168.6 | 0 | 0 | 109.8 | C45 | C45-E48 WeakPolarHBondContact O-CG 3.24Å; C45-E48 VanDerWaalsContact O-OE1 3.09Å |
| 49 | G | 46 | Very low | 45.8 | Very low | 54 Ų | 54 | 106.7 Ų | 106.7 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.9 | 1.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | C47 | C47-G49 PolarHBondContact O-N 2.72Š|
| 50 | G | 40.1 | Very low | 45.1 | Very low | 60 Ų | 60 | 113 Ų | 113 | 62% | 0.619 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -124.7 | -13.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 51 | W | 40.9 | Very low | 44.1 | Very low | 165 Ų | 165 | 113.5 Ų | 113.5 | 63% | 0.625 | 65% | 0.648 | S | S | * | * | trans | -98.4 | 3.5 | -170.7 | -66.3 | 102.7 | 0 | 0 | 0 | 115.2 | S43 N53 | S43-W51 PolarHBondContact OG-NE1 3.08Å; W51-N53 PolarHBondContact O-N 3.3Å | ||
| 52 | Y | 40.5 | Very low | 43.4 | Very low | 181 Ų | 181 | 119.4 Ų | 119.4 | 71% | 0.71 | 68% | 0.675 | S | S | * | * | trans | -84.1 | 92.8 | 163.9 | 72 | -83.8 | 0 | 0 | 0 | 107.7 | ||||
| 53 | N | 38.2 | Very low | 42.8 | Very low | 126 Ų | 126 | 121 Ų | 121 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | 163 | 76.1 | 153 | -93.3 | -66 | 0 | 0 | 0 | 106 | W51 D55 | W51-N53 PolarHBondContact O-N 3.3Å; N53-D55 PolarHBondContact O-N 3.19Å | ||
| 54 | L | 45 | Very low | 42 | Very low | 178 Ų | 178 | 123 Ų | 123 | 93% | 0.932 | 71% | 0.712 | S | S | * | * | trans | -77.2 | 60.3 | 165.5 | -155.6 | 79.3 | 0 | 0 | 0 | 108.2 | ||||
| 55 | D | 39 | Very low | 41.7 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | -152.2 | 48.2 | 170.6 | -148.3 | -82.2 | 0 | 0 | 0 | 111.1 | N53 | N53-D55 PolarHBondContact O-N 3.19Š| ||
| 56 | A | 36 | Very low | 41.3 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -144.1 | 113.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | P | 40.9 | Very low | 41.1 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -85.7 | -179.7 | 160.5 | 38.1 | -32.9 | 0 | 0 | 0 | 110.1 | ||||
| 58 | P | 52 | Low | 40.8 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | -96.1 | 122.8 | -97.5 | 33.5 | -15.8 | 0 | 0 | 0 | 112.9 | |||||
| 59 | A | 34.7 | Very low | 41 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -115.7 | 99.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 60 | R | 45.8 | Very low | 41 | Very low | 231 Ų | 231 | 123.5 Ų | 123.5 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | 33.6 | 116.5 | 85.9 | -60.2 | -167.1 | 78.9 | 179.7 | 3.2 | 110.9 | |||||
| 61 | D | 38.9 | Very low | 41.2 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | trans | 81.1 | 83.5 | 166.5 | -134.7 | -86.7 | 0 | 0 | 0 | 116 | ||||
| 62 | L | 40.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | -140.3 | 83.9 | 143.1 | -114.1 | 115.8 | 0 | 0 | 0 | 108.8 | A64 | L62-A64 PolarHBondContact O-N 3.13Š| ||
| 63 | S | 41.9 | Very low | 41.9 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -62.9 | 108.4 | 153.2 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 64 | A | 35.5 | Very low | 42.3 | Very low | 74 Ų | 74 | 111.5 Ų | 111.5 | 61% | 0.612 | 68% | 0.681 | S | S | * | * | trans | -132.5 | 121.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | L62 | L62-A64 PolarHBondContact O-N 3.13Š| ||
| 65 | P | 42.3 | Very low | 42.7 | Very low | 131 Ų | 131 | 107.6 Ų | 107.6 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | trans | -85.4 | 141.2 | -170.8 | 32.7 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 66 | G | 35.7 | Very low | 43.3 | Very low | 81 Ų | 81 | 101.5 Ų | 101.5 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | trans | 102.6 | 63.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 67 | S | 37.9 | Very low | 44.1 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 38% | 0.378 | 61% | 0.611 | S | S | . | * | trans | -148.7 | 127.7 | 142.5 | 110.2 | 0 | 0 | 0 | 0 | 109.6 | T69 D70 | S67-T69 PolarHBondContact O-N 3.01Å; S67-T69 PolarHBondContact OG-N 3.01Å; S67-T69 PolarHBondContact OG-OG1 3.1Å; S67-D70 WeakPolarHBondContact CB-OD2 3.45Å; S67-D70 WeakPolarHBondContact O-CB 3.43Å; S67-D70 PolarHBondContact O-N 3.47Å; S67-D70 PolarHBondContact OG-OD2 3.19Å | ||
| 68 | T | 43 | Very low | 44.5 | Very low | 152 Ų | 152 | 101.6 Ų | 101.6 | 93% | 0.933 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -3.5 | 180 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 69 | T | 46 | Very low | 44.6 | Very low | 93 Ų | 93 | 99.8 Ų | 99.8 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11 | 173.5 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | S67 K73 | S67-T69 PolarHBondContact O-N 3.01Å; S67-T69 PolarHBondContact OG-N 3.01Å; S67-T69 PolarHBondContact OG-OG1 3.1Å; T69-K73 WeakPolarHBondContact O-CG 3.4Å; T69-K73 PolarHBondContact OG1-NZ 3.43Å |
| 70 | D | 46.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 97.5 Ų | 97.5 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.5 | -34.3 | -179.4 | -71.1 | -89.7 | 0 | 0 | 0 | 113.5 | S67 L72 K73 D74 | S67-D70 WeakPolarHBondContact CB-OD2 3.45Å; S67-D70 WeakPolarHBondContact O-CB 3.43Å; S67-D70 PolarHBondContact O-N 3.47Å; S67-D70 PolarHBondContact OG-OD2 3.19Å; D70-L72 VanDerWaalsContact C-N 3.35Å; D70-L72 PolarHBondContact O-N 2.81Å; D70-K73 WeakPolarHBondContact O-CG 3.4Å; D70-K73 PolarHBondContact O-N 3.45Å; D70-K73 WeakPolarHBondContact OD1-CE 3.06Å; D70-K73 IonicContact OD1-NZ 2.72Å; D70-K73 PolarHBondContact OD1-NZ 3.47Å; D70-K73 IonicContact OD2-NZ 2.97Å; D70-K73 PolarHBondContact OD2-NZ 2.94Å; D70-D74 WeakPolarHBondContact O-CB 3.48Å; D70-D74 PolarHBondContact O-N 3.06Å |
| 71 | G | 43.4 | Very low | 45.4 | Very low | 39 Ų | 39 | 92.1 Ų | 92.1 | 40% | 0.402 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D74 I75 | G71-D74 PolarHBondContact O-N 3.45Å; G71-I75 WeakPolarHBondContact O-CB 3.47Å; G71-I75 VanDerWaalsContact O-CD1 3.32Å; G71-I75 WeakPolarHBondContact O-CD1 3.2Å; G71-I75 WeakPolarHBondContact O-CG1 3.39Å; G71-I75 PolarHBondContact O-N 3.23Å |
| 72 | L | 47.3 | Very low | 45.4 | Very low | 93 Ų | 93 | 92.6 Ų | 92.6 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71 | -37.1 | -177.1 | -142.1 | 74.3 | 0 | 0 | 0 | 112 | Y10 D70 C76 | Y10-L72 HydrophobicContact CE1-CD2 3.67Å; Y10-L72 WeakPolarHBondContact OH-CD2 3.18Å; Y10-L72 WeakPolarHBondContact OH-CG 3.47Å; D70-L72 VanDerWaalsContact C-N 3.35Å; D70-L72 PolarHBondContact O-N 2.81Å; L72-C76 VanDerWaalsContact O-CB 3.27Å; L72-C76 WeakPolarHBondContact O-CB 3.33Å; L72-C76 PolarHBondContact O-N 3.25Å |
| 73 | K | 49.5 | Very low | 45.5 | Very low | 65 Ų | 65 | 88.3 Ų | 88.3 | 28% | 0.283 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -36 | 172.8 | 56.5 | -171.7 | -175.2 | -108.7 | 0 | 111.9 | T69 D70 F77 | T69-K73 WeakPolarHBondContact O-CG 3.4Å; T69-K73 PolarHBondContact OG1-NZ 3.43Å; D70-K73 WeakPolarHBondContact O-CG 3.4Å; D70-K73 PolarHBondContact O-N 3.45Å; D70-K73 WeakPolarHBondContact OD1-CE 3.06Å; D70-K73 IonicContact OD1-NZ 2.72Å; D70-K73 PolarHBondContact OD1-NZ 3.47Å; D70-K73 IonicContact OD2-NZ 2.97Å; D70-K73 PolarHBondContact OD2-NZ 2.94Å; K73-F77 WeakPolarHBondContact O-CB 2.76Å; K73-F77 PolarHBondContact O-N 2.94Å |
| 74 | D | 46.8 | Very low | 45.4 | Very low | 83 Ų | 83 | 88.5 Ų | 88.5 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 173.1 | -162.3 | -99.6 | 0 | 0 | 0 | 112 | D70 G71 F77 K78 | D70-D74 WeakPolarHBondContact O-CB 3.48Å; D70-D74 PolarHBondContact O-N 3.06Å; G71-D74 PolarHBondContact O-N 3.45Å; D74-F77 PolarHBondContact O-N 2.88Å; D74-K78 VanDerWaalsContact O-CB 3.3Å; D74-K78 WeakPolarHBondContact O-CB 3.49Å; D74-K78 WeakPolarHBondContact O-CG 3.42Å; D74-K78 PolarHBondContact O-N 3.3Å; D74-K78 IonicContact OD1-NZ 2.8Å; D74-K78 PolarHBondContact OD1-NZ 3.31Å |
| 75 | I | 52.7 | Low | 45.6 | Very low | 95 Ų | 95 | 90.2 Ų | 90.2 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 176.6 | -67.9 | 161.1 | 0 | 0 | 0 | 110.5 | G71 F77 K78 I79 | G71-I75 WeakPolarHBondContact O-CB 3.47Å; G71-I75 VanDerWaalsContact O-CD1 3.32Å; G71-I75 WeakPolarHBondContact O-CD1 3.2Å; G71-I75 WeakPolarHBondContact O-CG1 3.39Å; G71-I75 PolarHBondContact O-N 3.23Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 PolarHBondContact O-N 3.15Å; I75-K78 PolarHBondContact O-N 3.34Å; I75-I79 HydrophobicContact CG2-CD1 3.7Å; I75-I79 HydrophobicContact CG2-CG1 4.45Å; I75-I79 WeakPolarHBondContact O-CB 3.33Å; I75-I79 VanDerWaalsContact O-CG1 3.23Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 2.89Å |
| 76 | C | 51.6 | Low | 45.6 | Very low | 19 Ų | 19 | 89.2 Ų | 89.2 | 13% | 0.128 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66.6 | -37.4 | -179.7 | -158.4 | 0 | 0 | 0 | 0 | 111.7 | L72 I79 L80 | L72-C76 VanDerWaalsContact O-CB 3.27Å; L72-C76 WeakPolarHBondContact O-CB 3.33Å; L72-C76 PolarHBondContact O-N 3.25Å; C76-I79 PolarHBondContact O-N 2.05Å; C76-L80 WeakPolarHBondContact O-CB 3.49Å; C76-L80 PolarHBondContact O-N 3.33Å |
| 77 | F | 53.5 | Low | 45.8 | Very low | 78 Ų | 78 | 91.1 Ų | 91.1 | 34% | 0.342 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 176 | -149.6 | -112.5 | 0 | 0 | 0 | 111.6 | K73 D74 I75 L80 L81 | K73-F77 WeakPolarHBondContact O-CB 2.76Å; K73-F77 PolarHBondContact O-N 2.94Å; D74-F77 PolarHBondContact O-N 2.88Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 PolarHBondContact O-N 3.15Å; F77-L80 PolarHBondContact O-N 3.16Å; F77-L81 HydrophobicContact CD1-CD1 3.41Å; F77-L81 VanDerWaalsContact CD1-CD1 3.41Å; F77-L81 HydrophobicContact CD1-CG 4.31Å; F77-L81 HydrophobicContact CE1-CD1 3.18Å; F77-L81 HydrophobicContact CE1-CG 4.14Å; F77-L81 HydrophobicContact CG-CD1 4.34Å; F77-L81 HydrophobicContact CZ-CD1 3.94Å; F77-L81 WeakPolarHBondContact O-CB 3.45Å; F77-L81 PolarHBondContact O-N 3.18Å |
| 78 | K | 49.3 | Very low | 45.9 | Very low | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 169.4 | -88.8 | 175.2 | 173.5 | 141.9 | 0 | 112.6 | D74 I75 L80 H82 | D74-K78 VanDerWaalsContact O-CB 3.3Å; D74-K78 WeakPolarHBondContact O-CB 3.49Å; D74-K78 WeakPolarHBondContact O-CG 3.42Å; D74-K78 PolarHBondContact O-N 3.3Å; D74-K78 IonicContact OD1-NZ 2.8Å; D74-K78 PolarHBondContact OD1-NZ 3.31Å; I75-K78 PolarHBondContact O-N 3.34Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.93Å; K78-H82 CarbonylContact O-C 3.49Å; K78-H82 WeakPolarHBondContact O-CA 3.33Å; K78-H82 VanDerWaalsContact O-CB 3.29Å; K78-H82 WeakPolarHBondContact O-CB 3.06Å; K78-H82 PolarHBondContact O-N 2.9Å |
| 79 | I | 53.8 | Low | 45.8 | Very low | 82 Ų | 82 | 92.3 Ų | 92.3 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 176.8 | -69.9 | 165.5 | 0 | 0 | 0 | 111.5 | V17 I75 C76 H82 | V17-I79 HydrophobicContact CG1-CG2 4.41Å; I75-I79 HydrophobicContact CG2-CD1 3.7Å; I75-I79 HydrophobicContact CG2-CG1 4.45Å; I75-I79 WeakPolarHBondContact O-CB 3.33Å; I75-I79 VanDerWaalsContact O-CG1 3.23Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 2.89Å; C76-I79 PolarHBondContact O-N 2.05Å; I79-H82 CarbonylContact O-C 3.44Å; I79-H82 VanDerWaalsContact O-O 3.13Å |
| 80 | L | 51.5 | Low | 45.5 | Very low | 51 Ų | 51 | 93.8 Ų | 93.8 | 27% | 0.267 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -86 | -34.1 | 179.5 | -102.9 | 134.3 | 0 | 0 | 0 | 114.7 | V17 I31 L35 C76 F77 K78 | V17-L80 HydrophobicContact CG2-CD1 4.48Å; I31-L80 HydrophobicContact CG2-CD2 4.12Å; L35-L80 HydrophobicContact CD1-CD1 3.77Å; L35-L80 HydrophobicContact CD1-CD2 3.28Å; L35-L80 HydrophobicContact CD1-CG 4.14Å; L35-L80 HydrophobicContact CD2-CD2 3.86Å; L35-L80 HydrophobicContact CG-CD2 4.16Å; C76-L80 WeakPolarHBondContact O-CB 3.49Å; C76-L80 PolarHBondContact O-N 3.33Å; F77-L80 PolarHBondContact O-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.93Å |
| 81 | L | 45.3 | Very low | 45.3 | Very low | 119 Ų | 119 | 97.6 Ų | 97.6 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -86.4 | -31 | 176.2 | -84.9 | 172 | 0 | 0 | 0 | 113.3 | F77 P83 | F77-L81 HydrophobicContact CD1-CD1 3.41Å; F77-L81 VanDerWaalsContact CD1-CD1 3.41Å; F77-L81 HydrophobicContact CD1-CG 4.31Å; F77-L81 HydrophobicContact CE1-CD1 3.18Å; F77-L81 HydrophobicContact CE1-CG 4.14Å; F77-L81 HydrophobicContact CG-CD1 4.34Å; F77-L81 HydrophobicContact CZ-CD1 3.94Å; F77-L81 WeakPolarHBondContact O-CB 3.45Å; F77-L81 PolarHBondContact O-N 3.18Å; L81-P83 VanDerWaalsContact C-CD 3.43Å; L81-P83 WeakPolarHBondContact O-CD 3.36Å |
| 82 | H | 39.5 | Very low | 45.2 | Very low | 154 Ų | 154 | 101.7 Ų | 101.7 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -109.7 | 83.8 | 163.4 | -90.4 | -176.1 | 0 | 0 | 0 | 107.1 | K78 I79 | K78-H82 CarbonylContact O-C 3.49Å; K78-H82 WeakPolarHBondContact O-CA 3.33Å; K78-H82 VanDerWaalsContact O-CB 3.29Å; K78-H82 WeakPolarHBondContact O-CB 3.06Å; K78-H82 PolarHBondContact O-N 2.9Å; I79-H82 CarbonylContact O-C 3.44Å; I79-H82 VanDerWaalsContact O-O 3.13Å |
| 83 | P | 41.7 | Very low | 44.8 | Very low | 78 Ų | 78 | 102 Ų | 102 | 51% | 0.506 | 59% | 0.592 | S | S | . | * | trans | -50.6 | 135.3 | 152.5 | 25.8 | -32.4 | 0 | 0 | 0 | 106 | L81 T85 | L81-P83 VanDerWaalsContact C-CD 3.43Å; L81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-T85 PolarHBondContact O-N 2.89Å | ||
| 84 | P | 41.6 | Very low | 44.3 | Very low | 117 Ų | 117 | 106.4 Ų | 106.4 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | trans | -56.5 | 101 | 167.7 | 24.4 | -31.4 | 0 | 0 | 0 | 105.4 | P86 | P84-P86 WeakPolarHBondContact O-CD 3.19Å; P84-P86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | T | 38.8 | Very low | 44 | Very low | 110 Ų | 110 | 108.5 Ų | 108.5 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | trans | -57.3 | 123.3 | 171.9 | 38.1 | 0 | 0 | 0 | 0 | 104.2 | P83 | P83-T85 PolarHBondContact O-N 2.89Š| ||
| 86 | P | 43.1 | Very low | 43.5 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 71% | 0.714 | 64% | 0.642 | S | S | * | * | trans | -52 | 133.4 | 162.2 | 24.7 | -31.6 | 0 | 0 | 0 | 105.1 | P84 A88 | P84-P86 WeakPolarHBondContact O-CD 3.19Å; P84-P86 VanDerWaalsContact O-N 3.11Å; P86-A88 PolarHBondContact O-N 2.83Å | ||
| 87 | P | 39.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | -52.2 | 107 | -174.9 | 20.5 | -32.3 | 0 | 0 | 0 | 108 | N89 | P87-N89 PolarHBondContact O-N 3.26Š| ||
| 88 | A | 40 | Very low | 42.4 | Very low | 96 Ų | 96 | 119 Ų | 119 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | trans | -75 | 69.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P86 | P86-A88 PolarHBondContact O-N 2.83Š| ||
| 89 | N | 40.3 | Very low | 42.2 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -135.8 | 115.7 | 154.4 | -113.3 | 6.6 | 0 | 0 | 0 | 108.5 | P87 | P87-N89 PolarHBondContact O-N 3.26Š|
| 90 | T | 41.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | 65.7 | 74.1 | 156.1 | 42.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 91 | M | 40.5 | Very low | 40.9 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | -149.6 | 56.4 | 142.7 | -77.8 | -157.8 | 174 | 0 | 0 | 112.7 | K94 | M91-K94 HydrophobicContact CE-CB 4.48Å; M91-K94 WeakPolarHBondContact CE-O 3.34Å | ||
| 92 | S | 41.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | S | Bend | -82.8 | 117.7 | 125.6 | -62.4 | 0 | 0 | 0 | 0 | 105.3 | |||
| 93 | A | 40 | Very low | 40.8 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 97.1 | 16.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||
| 94 | K | 37.8 | Very low | 40.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -134.4 | 114.3 | 157.1 | -72.4 | -160 | 177.6 | -174.3 | 0 | 113.7 | M91 | M91-K94 HydrophobicContact CE-CB 4.48Å; M91-K94 WeakPolarHBondContact CE-O 3.34Å | ||
| 95 | L | 40.2 | Very low | 40.7 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 94.7 | 70.3 | 139.3 | -109.8 | 79.4 | 0 | 0 | 0 | 119.1 | K97 | L95-K97 HydrophobicContact CB-CB 4.34Å; L95-K97 HydrophobicContact CD1-CB 4.27Å; L95-K97 HydrophobicContact CD2-CB 3.45Å; L95-K97 VanDerWaalsContact CD2-CB 3.45Å; L95-K97 HydrophobicContact CD2-CG 4.41Å; L95-K97 HydrophobicContact CG-CB 3.36Å; L95-K97 PolarHBondContact O-N 2.98Å | ||
| 96 | V | 43.2 | Very low | 40.8 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 92% | 0.915 | 81% | 0.807 | S | S | * | * | -50.1 | 77.6 | 118.4 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 97 | K | 44.3 | Very low | 40.6 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 58.5 | 163.3 | -156.2 | 116.7 | -179.3 | 175 | 0 | 111.7 | L95 | L95-K97 HydrophobicContact CB-CB 4.34Å; L95-K97 HydrophobicContact CD1-CB 4.27Å; L95-K97 HydrophobicContact CD2-CB 3.45Å; L95-K97 VanDerWaalsContact CD2-CB 3.45Å; L95-K97 HydrophobicContact CD2-CG 4.41Å; L95-K97 HydrophobicContact CG-CB 3.36Å; L95-K97 PolarHBondContact O-N 2.98Å | ||
| 98 | A | 36.4 | Very low | 40.7 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -130.2 | 34 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | R | 45.9 | Very low | 40.8 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -109.2 | 80.1 | 153.9 | -85.3 | -169.2 | 178.3 | 166.5 | 0.6 | 107.7 | ||||
| 100 | K | 37.8 | Very low | 40.8 | Very low | 269 Ų | 269 | 155.1 Ų | 155.1 | 100% | 1.17 | 83% | 0.826 | S | S | * | * | trans | -157.3 | 0 | 143.4 | -145.4 | -178.3 | -174.2 | -169.5 | 0 | 108.7 |
Retrieved 100 of 100 residues in 99.2 ms
(Link to these results)