| 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 | 58.2 | Low | 68.6 | Low | 185 Ų | 185 | 123.9 Ų | 123.9 | 91% | 0.911 | 61% | 0.608 | S | S | * | * | 0 | 78.6 | 0 | -72.9 | -164.9 | 164.9 | 0 | 0 | 110.8 | F3 R4 R5 | M1-F3 VanDerWaalsContact C-N 3.28Å; M1-F3 PolarHBondContact O-N 3.29Å; M1-R4 HydrophobicContact CB-CB 3.98Å; M1-R4 PolarHBondContact O-N 2.88Å; M1-R5 PolarHBondContact O-N 2.93Å | |||
| 2 | I | 63.7 | Low | 68.9 | Low | 144 Ų | 144 | 127.3 Ų | 127.3 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 179.5 | -69.3 | 147.3 | 0 | 0 | 0 | 110.7 | R4 R5 L6 | I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 2.96Å; I2-R5 PolarHBondContact O-N 3.49Å; I2-R5 VanDerWaalsContact O-N 3.13Å; I2-L6 WeakPolarHBondContact O-CB 3.38Å; I2-L6 PolarHBondContact O-N 3.44Å |
| 3 | F | 64.8 | Low | 68.4 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 70% | 0.697 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.4 | -40.7 | 176.8 | -142.8 | -90.3 | 0 | 0 | 0 | 112.9 | M1 R5 L6 L7 | M1-F3 VanDerWaalsContact C-N 3.28Å; M1-F3 PolarHBondContact O-N 3.29Å; F3-R5 PolarHBondContact O-N 3.05Å; F3-L6 PolarHBondContact O-N 2.99Å; F3-L7 VanDerWaalsContact O-CB 3.27Å; F3-L7 WeakPolarHBondContact O-CB 3.3Å; F3-L7 PolarHBondContact O-N 3.43Å |
| 4 | R | 74.2 | Confident | 68 | Low | 189 Ų | 189 | 120.4 Ų | 120.4 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.5 | -34.8 | 178.5 | -170.7 | 173.1 | 164 | 177.3 | -4.6 | 112.1 | M1 I2 A8 | M1-R4 HydrophobicContact CB-CB 3.98Å; M1-R4 PolarHBondContact O-N 2.88Å; I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 2.96Å; R4-A8 VanDerWaalsContact O-CB 3.3Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.39Å |
| 5 | R | 74.7 | Confident | 67.6 | Low | 198 Ų | 198 | 121.4 Ų | 121.4 | 75% | 0.747 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73 | -41.1 | 174.8 | -67.6 | -178.5 | 179.1 | 173.2 | -1.7 | 111.7 | M1 I2 F3 A8 A9 | M1-R5 PolarHBondContact O-N 2.93Å; I2-R5 PolarHBondContact O-N 3.49Å; I2-R5 VanDerWaalsContact O-N 3.13Å; F3-R5 PolarHBondContact O-N 3.05Å; R5-A8 PolarHBondContact O-N 3.07Å; R5-A9 WeakPolarHBondContact O-CB 3.24Å; R5-A9 PolarHBondContact O-N 3.46Å |
| 6 | L | 70.9 | Confident | 67.2 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.7 | -48.5 | 173.5 | -168.8 | 82 | 0 | 0 | 0 | 110.2 | I2 F3 A8 A9 L10 | I2-L6 WeakPolarHBondContact O-CB 3.38Å; I2-L6 PolarHBondContact O-N 3.44Å; F3-L6 PolarHBondContact O-N 2.99Å; L6-A8 PolarHBondContact O-N 3.28Å; L6-A9 PolarHBondContact O-N 3.46Å; L6-L10 HydrophobicContact CD1-CD1 4.38Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 WeakPolarHBondContact O-CD1 3.38Å; L6-L10 PolarHBondContact O-N 2.88Å |
| 7 | L | 71.6 | Confident | 66.8 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -43.3 | 178.3 | -154 | 76 | 0 | 0 | 0 | 111.4 | F3 A9 L10 L11 | F3-L7 VanDerWaalsContact O-CB 3.27Å; F3-L7 WeakPolarHBondContact O-CB 3.3Å; F3-L7 PolarHBondContact O-N 3.43Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 2.67Å; L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 WeakPolarHBondContact O-CB 3.23Å; L7-L11 WeakPolarHBondContact O-CD1 3.19Å; L7-L11 PolarHBondContact O-N 3.48Å |
| 8 | A | 73.1 | Confident | 66.5 | Low | 58 Ų | 58 | 116.3 Ų | 116.3 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R4 R5 L6 L11 H12 | R4-A8 VanDerWaalsContact O-CB 3.3Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.39Å; R5-A8 PolarHBondContact O-N 3.07Å; L6-A8 PolarHBondContact O-N 3.28Å; A8-L11 PolarHBondContact O-N 2.92Å; A8-H12 WeakPolarHBondContact O-CB 3.42Å; A8-H12 PolarHBondContact O-N 2.85Å |
| 9 | A | 68.9 | Low | 66.3 | Low | 49 Ų | 49 | 119.3 Ų | 119.3 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.8 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R5 L6 L7 N13 | R5-A9 WeakPolarHBondContact O-CB 3.24Å; R5-A9 PolarHBondContact O-N 3.46Å; L6-A9 PolarHBondContact O-N 3.46Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.41Å; A9-N13 VanDerWaalsContact O-CB 3.28Å; A9-N13 WeakPolarHBondContact O-CB 3.48Å; A9-N13 PolarHBondContact O-N 3.12Å; A9-N13 VanDerWaalsContact O-N 3.13Å |
| 10 | L | 66.6 | Low | 66.1 | Low | 52 Ų | 52 | 116.7 Ų | 116.7 | 27% | 0.272 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -43 | 173.4 | -91 | 76.5 | 0 | 0 | 0 | 111.7 | L6 L7 H12 N13 V17 L20 | L6-L10 HydrophobicContact CD1-CD1 4.38Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 WeakPolarHBondContact O-CD1 3.38Å; L6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 2.67Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.4Å; L10-N13 CarbonylContact O-C 3.48Å; L10-N13 PolarHBondContact O-N 3.26Å; L10-V17 HydrophobicContact CB-CG2 3.93Å; L10-V17 HydrophobicContact CD2-CG2 4.26Å; L10-V17 HydrophobicContact CG-CG2 4.01Å; L10-V17 WeakPolarHBondContact O-CG2 3.37Å; L10-L20 HydrophobicContact CD1-CD1 4.34Å; L10-L20 HydrophobicContact CD2-CD1 4.16Å; L10-L20 HydrophobicContact CG-CD1 4.22Å |
| 11 | L | 68.3 | Low | 65.7 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 73% | 0.733 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -35.7 | 177.6 | -95.3 | 93.9 | 0 | 0 | 0 | 112.4 | L7 A8 N13 | L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 WeakPolarHBondContact O-CB 3.23Å; L7-L11 WeakPolarHBondContact O-CD1 3.19Å; L7-L11 PolarHBondContact O-N 3.48Å; A8-L11 PolarHBondContact O-N 2.92Å; L11-N13 VanDerWaalsContact C-N 3.33Å |
| 12 | H | 72 | Confident | 66 | Low | 164 Ų | 164 | 111.4 Ų | 111.4 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.9 | -16.8 | -178.7 | -162.7 | 58 | 0 | 0 | 0 | 112.8 | A8 L10 | A8-H12 WeakPolarHBondContact O-CB 3.42Å; A8-H12 PolarHBondContact O-N 2.85Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.4Å |
| 13 | N | 62.7 | Low | 66.1 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | trans | -132.4 | 84.6 | -173.7 | -138.1 | -37.5 | 0 | 0 | 0 | 111.5 | A9 L10 L11 Q15 L16 V17 | A9-N13 VanDerWaalsContact O-CB 3.28Å; A9-N13 WeakPolarHBondContact O-CB 3.48Å; A9-N13 PolarHBondContact O-N 3.12Å; A9-N13 VanDerWaalsContact O-N 3.13Å; L10-N13 CarbonylContact O-C 3.48Å; L10-N13 PolarHBondContact O-N 3.26Å; L11-N13 VanDerWaalsContact C-N 3.33Å; N13-Q15 PolarHBondContact O-N 3.42Å; N13-L16 HydrophobicContact CB-CB 4.36Å; N13-L16 HydrophobicContact CB-CD1 3.89Å; N13-L16 HydrophobicContact CB-CG 4.15Å; N13-L16 WeakPolarHBondContact O-CB 3.3Å; N13-L16 PolarHBondContact O-N 3.16Å; N13-V17 PolarHBondContact O-N 3.44Å | ||
| 14 | P | 62.8 | Low | 65.8 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -28.2 | -175.3 | 25.3 | -33.9 | 0 | 0 | 0 | 112.7 | L16 V17 E18 | P14-L16 VanDerWaalsContact C-N 3.31Å; P14-L16 PolarHBondContact O-N 3.26Å; P14-V17 WeakPolarHBondContact O-CB 3.28Å; P14-V17 PolarHBondContact O-N 2.85Å; P14-V17 VanDerWaalsContact O-N 3.15Å; P14-E18 PolarHBondContact O-N 3.04Å |
| 15 | Q | 61.4 | Low | 65.4 | Low | 136 Ų | 136 | 104.1 Ų | 104.1 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -32.7 | 175.7 | -70.6 | 169.8 | -29.5 | 0 | 0 | 112.3 | N13 E18 R19 | N13-Q15 PolarHBondContact O-N 3.42Å; Q15-E18 WeakPolarHBondContact O-CB 3.39Å; Q15-E18 PolarHBondContact O-N 2.87Å; Q15-R19 VanDerWaalsContact O-CG 3.29Å; Q15-R19 WeakPolarHBondContact O-CG 3.37Å; Q15-R19 PolarHBondContact O-N 3.04Å |
| 16 | L | 61 | Low | 64.9 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 172.9 | -74.9 | 176.7 | 0 | 0 | 0 | 111 | N13 P14 E18 R19 L20 | N13-L16 HydrophobicContact CB-CB 4.36Å; N13-L16 HydrophobicContact CB-CD1 3.89Å; N13-L16 HydrophobicContact CB-CG 4.15Å; N13-L16 WeakPolarHBondContact O-CB 3.3Å; N13-L16 PolarHBondContact O-N 3.16Å; P14-L16 VanDerWaalsContact C-N 3.31Å; P14-L16 PolarHBondContact O-N 3.26Å; L16-E18 VanDerWaalsContact C-N 3.28Å; L16-E18 PolarHBondContact O-N 3.38Å; L16-R19 PolarHBondContact O-N 3.2Å; L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.14Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.44Å |
| 17 | V | 61 | Low | 64.5 | Low | 66 Ų | 66 | 101.4 Ų | 101.4 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L10 N13 P14 L20 S21 | L10-V17 HydrophobicContact CB-CG2 3.93Å; L10-V17 HydrophobicContact CD2-CG2 4.26Å; L10-V17 HydrophobicContact CG-CG2 4.01Å; L10-V17 WeakPolarHBondContact O-CG2 3.37Å; N13-V17 PolarHBondContact O-N 3.44Å; P14-V17 WeakPolarHBondContact O-CB 3.28Å; P14-V17 PolarHBondContact O-N 2.85Å; P14-V17 VanDerWaalsContact O-N 3.15Å; V17-L20 PolarHBondContact O-N 3.23Å; V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.19Å; V17-S21 PolarHBondContact O-N 2.92Å; V17-S21 PolarHBondContact O-OG 2.93Å |
| 18 | E | 60.4 | Low | 64.2 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -50.1 | 177.8 | -142.2 | 165.7 | -163.7 | 0 | 0 | 111.5 | P14 Q15 L16 L20 S21 E22 | P14-E18 PolarHBondContact O-N 3.04Å; Q15-E18 WeakPolarHBondContact O-CB 3.39Å; Q15-E18 PolarHBondContact O-N 2.87Å; L16-E18 VanDerWaalsContact C-N 3.28Å; L16-E18 PolarHBondContact O-N 3.38Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 2.98Å; E18-S21 PolarHBondContact O-N 2.81Å; E18-S21 VanDerWaalsContact O-N 3.09Å; E18-S21 PolarHBondContact O-OG 2.94Å; E18-E22 WeakPolarHBondContact O-CG 3.05Å; E18-E22 PolarHBondContact O-N 2.9Å |
| 19 | R | 62.7 | Low | 64 | Low | 173 Ų | 173 | 104.7 Ų | 104.7 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -37.3 | 174.6 | -67.4 | -57.1 | -168 | -174.9 | 1.4 | 113.4 | Q15 L16 E22 S23 | Q15-R19 VanDerWaalsContact O-CG 3.29Å; Q15-R19 WeakPolarHBondContact O-CG 3.37Å; Q15-R19 PolarHBondContact O-N 3.04Å; L16-R19 PolarHBondContact O-N 3.2Å; R19-E22 VanDerWaalsContact CD-OE2 3.28Å; R19-E22 WeakPolarHBondContact CD-OE2 3.4Å; R19-E22 IonicContact CZ-OE2 3.88Å; R19-E22 IonicContact NH1-OE1 3.95Å; R19-E22 IonicContact NH1-OE2 2.94Å; R19-E22 PolarHBondContact NH1-OE2 3.26Å; R19-S23 PolarHBondContact O-N 2.82Å |
| 20 | L | 62.7 | Low | 64.1 | Low | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.346 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 173.6 | -77.4 | 171 | 0 | 0 | 0 | 110.4 | L10 L16 V17 E18 S23 I26 | L10-L20 HydrophobicContact CD1-CD1 4.34Å; L10-L20 HydrophobicContact CD2-CD1 4.16Å; L10-L20 HydrophobicContact CG-CD1 4.22Å; L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 WeakPolarHBondContact O-CD1 3.14Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.44Å; V17-L20 PolarHBondContact O-N 3.23Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 2.98Å; L20-S23 WeakPolarHBondContact O-CA 3.31Å; L20-S23 VanDerWaalsContact O-CB 3.27Å; L20-S23 WeakPolarHBondContact O-CB 3.14Å; L20-S23 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-OG 3.33Å; L20-I26 HydrophobicContact CB-CD1 3.39Å; L20-I26 HydrophobicContact CD1-CD1 4.42Å; L20-I26 HydrophobicContact CD2-CD1 3.23Å; L20-I26 HydrophobicContact CG-CD1 3.79Å; L20-I26 VanDerWaalsContact O-CB 3.23Å; L20-I26 WeakPolarHBondContact O-CB 3.38Å; L20-I26 WeakPolarHBondContact O-CD1 3.33Å |
| 21 | S | 58.7 | Low | 64.2 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -30.5 | 176.9 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | V17 E18 S23 | V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.19Å; V17-S21 PolarHBondContact O-N 2.92Å; V17-S21 PolarHBondContact O-OG 2.93Å; E18-S21 PolarHBondContact O-N 2.81Å; E18-S21 VanDerWaalsContact O-N 3.09Å; E18-S21 PolarHBondContact O-OG 2.94Å; S21-S23 PolarHBondContact O-N 3.46Å |
| 22 | E | 63.7 | Low | 64.2 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -25.7 | 168.9 | -75.3 | -178.4 | 153.6 | 0 | 0 | 111.5 | E18 R19 R24 | E18-E22 WeakPolarHBondContact O-CG 3.05Å; E18-E22 PolarHBondContact O-N 2.9Å; R19-E22 VanDerWaalsContact CD-OE2 3.28Å; R19-E22 WeakPolarHBondContact CD-OE2 3.4Å; R19-E22 IonicContact CZ-OE2 3.88Å; R19-E22 IonicContact NH1-OE1 3.95Å; R19-E22 IonicContact NH1-OE2 2.94Å; R19-E22 PolarHBondContact NH1-OE2 3.26Å; E22-R24 PolarHBondContact O-N 3.47Å |
| 23 | S | 66.3 | Low | 64.1 | Low | 35 Ų | 35 | 102 Ų | 102 | 25% | 0.245 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -73.4 | 121.1 | 176.4 | 85.8 | 0 | 0 | 0 | 0 | 111.1 | R19 L20 S21 P25 I26 R27 | R19-S23 PolarHBondContact O-N 2.82Å; L20-S23 WeakPolarHBondContact O-CA 3.31Å; L20-S23 VanDerWaalsContact O-CB 3.27Å; L20-S23 WeakPolarHBondContact O-CB 3.14Å; L20-S23 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-OG 3.33Å; S21-S23 PolarHBondContact O-N 3.46Å; S23-P25 VanDerWaalsContact C-N 3.3Å; S23-I26 PolarHBondContact O-N 2.8Å; S23-I26 VanDerWaalsContact O-N 3.09Å; S23-I26 WeakPolarHBondContact OG-CG1 3.22Å; S23-R27 PolarHBondContact O-N 3.18Å |
| 24 | R | 58 | Low | 64.3 | Low | 214 Ų | 214 | 101.7 Ų | 101.7 | 81% | 0.808 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -45.6 | -40.7 | 173.3 | -64.6 | -178.8 | -174.7 | 179.9 | 1.7 | 114.7 | E22 I26 R27 R28 | E22-R24 PolarHBondContact O-N 3.47Å; R24-I26 VanDerWaalsContact C-N 3.33Å; R24-I26 PolarHBondContact O-N 3.13Å; R24-R27 PolarHBondContact O-N 2.76Å; R24-R28 WeakPolarHBondContact O-CG 3.27Å; R24-R28 PolarHBondContact O-N 2.97Å |
| 25 | P | 65.9 | Low | 64.5 | Low | 89 Ų | 89 | 103.2 Ų | 103.2 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -31.9 | -179.4 | 23.5 | -34.7 | 0 | 0 | 0 | 113.7 | S23 R28 A29 | S23-P25 VanDerWaalsContact C-N 3.3Å; P25-R28 PolarHBondContact O-N 2.92Å; P25-A29 WeakPolarHBondContact O-CB 3.5Å; P25-A29 PolarHBondContact O-N 2.79Å |
| 26 | I | 65.3 | Low | 65.1 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -80.4 | -35.7 | -179.1 | -68 | 179.6 | 0 | 0 | 0 | 110.9 | L20 S23 R24 R28 A29 A30 | L20-I26 HydrophobicContact CB-CD1 3.39Å; L20-I26 HydrophobicContact CD1-CD1 4.42Å; L20-I26 HydrophobicContact CD2-CD1 3.23Å; L20-I26 HydrophobicContact CG-CD1 3.79Å; L20-I26 VanDerWaalsContact O-CB 3.23Å; L20-I26 WeakPolarHBondContact O-CB 3.38Å; L20-I26 WeakPolarHBondContact O-CD1 3.33Å; S23-I26 PolarHBondContact O-N 2.8Å; S23-I26 VanDerWaalsContact O-N 3.09Å; S23-I26 WeakPolarHBondContact OG-CG1 3.22Å; R24-I26 VanDerWaalsContact C-N 3.33Å; R24-I26 PolarHBondContact O-N 3.13Å; I26-R28 VanDerWaalsContact C-N 3.25Å; I26-R28 PolarHBondContact O-N 3.33Å; I26-A29 PolarHBondContact O-N 3.45Å; I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 3.47Å |
| 27 | R | 61.3 | Low | 65.6 | Low | 171 Ų | 171 | 99.9 Ų | 99.9 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -40.3 | 167.9 | -166.1 | 171.3 | 178.3 | -174.5 | -0.7 | 111.4 | S23 R24 Q31 | S23-R27 PolarHBondContact O-N 3.18Å; R24-R27 PolarHBondContact O-N 2.76Å; R27-Q31 WeakPolarHBondContact O-CB 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.39Å; R27-Q31 PolarHBondContact O-N 2.67Å |
| 28 | R | 64.5 | Low | 66.1 | Low | 171 Ų | 171 | 101.3 Ų | 101.3 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 174.2 | -71 | -65.3 | -171.9 | -179 | 3.9 | 112.5 | R24 P25 I26 Q31 L32 | R24-R28 WeakPolarHBondContact O-CG 3.27Å; R24-R28 PolarHBondContact O-N 2.97Å; P25-R28 PolarHBondContact O-N 2.92Å; I26-R28 VanDerWaalsContact C-N 3.25Å; I26-R28 PolarHBondContact O-N 3.33Å; R28-Q31 PolarHBondContact O-N 3.23Å; R28-L32 WeakPolarHBondContact O-CB 3.31Å; R28-L32 VanDerWaalsContact O-CG 3.26Å; R28-L32 WeakPolarHBondContact O-CG 3.15Å; R28-L32 PolarHBondContact O-N 3.37Å |
| 29 | A | 70.4 | Confident | 66.5 | Low | 49 Ų | 49 | 99 Ų | 99 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P25 I26 L32 T33 | P25-A29 WeakPolarHBondContact O-CB 3.5Å; P25-A29 PolarHBondContact O-N 2.79Å; I26-A29 PolarHBondContact O-N 3.45Å; A29-L32 PolarHBondContact O-N 3.35Å; A29-T33 WeakPolarHBondContact O-CB 2.87Å; A29-T33 PolarHBondContact O-N 3.47Å; A29-T33 PolarHBondContact O-OG1 3.13Å |
| 30 | A | 70.4 | Confident | 66.8 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I26 T33 A34 | I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 3.47Å; A30-T33 PolarHBondContact O-N 3.41Å; A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.31Å; A30-A34 PolarHBondContact O-N 2.98Å |
| 31 | Q | 69.3 | Low | 67 | Low | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 173.3 | -77.6 | 173 | -13.3 | 0 | 0 | 111.9 | R27 R28 T33 A34 F35 | R27-Q31 WeakPolarHBondContact O-CB 3.3Å; R27-Q31 WeakPolarHBondContact O-CG 3.39Å; R27-Q31 PolarHBondContact O-N 2.67Å; R28-Q31 PolarHBondContact O-N 3.23Å; Q31-T33 VanDerWaalsContact C-N 3.32Å; Q31-T33 PolarHBondContact O-N 3.29Å; Q31-A34 PolarHBondContact O-N 2.83Å; Q31-F35 WeakPolarHBondContact O-CB 3.42Å; Q31-F35 PolarHBondContact O-N 3.42Å |
| 32 | L | 68.1 | Low | 67.2 | Low | 116 Ų | 116 | 100.8 Ų | 100.8 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 175.7 | -75.2 | 171.1 | 0 | 0 | 0 | 111.4 | R28 A29 A36 | R28-L32 WeakPolarHBondContact O-CB 3.31Å; R28-L32 VanDerWaalsContact O-CG 3.26Å; R28-L32 WeakPolarHBondContact O-CG 3.15Å; R28-L32 PolarHBondContact O-N 3.37Å; A29-L32 PolarHBondContact O-N 3.35Å; L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.33Å |
| 33 | T | 68.5 | Low | 67 | Low | 86 Ų | 86 | 103.6 Ų | 103.6 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -48.8 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | A29 A30 Q31 F35 A36 L37 | A29-T33 WeakPolarHBondContact O-CB 2.87Å; A29-T33 PolarHBondContact O-N 3.47Å; A29-T33 PolarHBondContact O-OG1 3.13Å; A30-T33 PolarHBondContact O-N 3.41Å; Q31-T33 VanDerWaalsContact C-N 3.32Å; Q31-T33 PolarHBondContact O-N 3.29Å; T33-F35 VanDerWaalsContact C-N 3.31Å; T33-F35 PolarHBondContact O-N 3.47Å; T33-A36 PolarHBondContact O-N 2.83Å; T33-L37 VanDerWaalsContact O-CB 3.29Å; T33-L37 WeakPolarHBondContact O-CB 3.48Å; T33-L37 PolarHBondContact O-N 3.5Å |
| 34 | A | 67.2 | Low | 66.7 | Low | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A30 Q31 L37 L38 | A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.31Å; A30-A34 PolarHBondContact O-N 2.98Å; Q31-A34 PolarHBondContact O-N 2.83Å; A34-L37 PolarHBondContact O-N 2.83Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 2.74Å |
| 35 | F | 68.6 | Low | 66.8 | Low | 123 Ų | 123 | 98.6 Ų | 98.6 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 176.2 | -176.8 | -117.4 | 0 | 0 | 0 | 112.2 | Q31 T33 L38 Q39 | Q31-F35 WeakPolarHBondContact O-CB 3.42Å; Q31-F35 PolarHBondContact O-N 3.42Å; T33-F35 VanDerWaalsContact C-N 3.31Å; T33-F35 PolarHBondContact O-N 3.47Å; F35-L38 PolarHBondContact O-N 3.46Å; F35-Q39 HydrophobicContact CE2-CG 4.29Å; F35-Q39 HydrophobicContact CZ-CG 4.33Å; F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.09Å; F35-Q39 WeakPolarHBondContact O-CG 3.05Å; F35-Q39 PolarHBondContact O-N 2.71Å |
| 36 | A | 73.9 | Confident | 66.6 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L32 T33 L40 | L32-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.33Å; T33-A36 PolarHBondContact O-N 2.83Å; A36-L40 WeakPolarHBondContact O-CA 3.2Å; A36-L40 WeakPolarHBondContact O-CB 2.88Å; A36-L40 PolarHBondContact O-N 2.91Å |
| 37 | L | 71.1 | Confident | 66.2 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.2 | -136.7 | 103.2 | 0 | 0 | 0 | 110.9 | T33 A34 L40 Q41 | T33-L37 VanDerWaalsContact O-CB 3.29Å; T33-L37 WeakPolarHBondContact O-CB 3.48Å; T33-L37 PolarHBondContact O-N 3.5Å; A34-L37 PolarHBondContact O-N 2.83Å; L37-L40 CarbonylContact O-C 3.57Å; L37-L40 PolarHBondContact O-N 2.67Å; L37-Q41 WeakPolarHBondContact O-CB 3.28Å; L37-Q41 VanDerWaalsContact O-CG 3.3Å; L37-Q41 WeakPolarHBondContact O-CG 3.35Å; L37-Q41 PolarHBondContact O-N 3.37Å |
| 38 | L | 71.4 | Confident | 66 | Low | 95 Ų | 95 | 91.7 Ų | 91.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 178.6 | -174.4 | 63.6 | 0 | 0 | 0 | 110.9 | A34 F35 L40 Q41 L42 | A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 2.74Å; F35-L38 PolarHBondContact O-N 3.46Å; L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.39Å; L38-Q41 PolarHBondContact O-N 2.87Å; L38-L42 HydrophobicContact CD1-CD1 4.38Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 WeakPolarHBondContact O-CB 3.04Å; L38-L42 WeakPolarHBondContact O-CD1 3.11Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.15Å; L38-L42 PolarHBondContact O-N 3.18Å |
| 39 | Q | 68.6 | Low | 65.8 | Low | 75 Ų | 75 | 92 Ų | 92 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 171.3 | -79.7 | -158.1 | 61.3 | 0 | 0 | 112.1 | F35 Q41 L42 R43 | F35-Q39 HydrophobicContact CE2-CG 4.29Å; F35-Q39 HydrophobicContact CZ-CG 4.33Å; F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.09Å; F35-Q39 WeakPolarHBondContact O-CG 3.05Å; F35-Q39 PolarHBondContact O-N 2.71Å; Q39-Q41 VanDerWaalsContact C-N 3.34Å; Q39-L42 PolarHBondContact O-N 3.45Å; Q39-R43 VanDerWaalsContact O-CB 3.28Å; Q39-R43 WeakPolarHBondContact O-CB 3.48Å; Q39-R43 PolarHBondContact O-N 3.38Å |
| 40 | L | 68.1 | Low | 65.3 | Low | 120 Ų | 120 | 98.3 Ų | 98.3 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.5 | -31.7 | 174.3 | -176.4 | 65.6 | 0 | 0 | 0 | 111.3 | A36 L37 L38 G44 | A36-L40 WeakPolarHBondContact O-CA 3.2Å; A36-L40 WeakPolarHBondContact O-CB 2.88Å; A36-L40 PolarHBondContact O-N 2.91Å; L37-L40 CarbonylContact O-C 3.57Å; L37-L40 PolarHBondContact O-N 2.67Å; L38-L40 VanDerWaalsContact C-N 3.29Å; L38-L40 PolarHBondContact O-N 3.39Å; L40-G44 WeakPolarHBondContact O-CA 3.48Å; L40-G44 PolarHBondContact O-N 2.84Å |
| 41 | Q | 66.9 | Low | 64.6 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.7 | -38 | 174.1 | -79 | 178.8 | -28.5 | 0 | 0 | 111.3 | L37 L38 Q39 H45 | L37-Q41 WeakPolarHBondContact O-CB 3.28Å; L37-Q41 VanDerWaalsContact O-CG 3.3Å; L37-Q41 WeakPolarHBondContact O-CG 3.35Å; L37-Q41 PolarHBondContact O-N 3.37Å; L38-Q41 PolarHBondContact O-N 2.87Å; Q39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-H45 WeakPolarHBondContact O-CA 3.28Å; Q41-H45 WeakPolarHBondContact O-CB 3.18Å; Q41-H45 PolarHBondContact O-CD2 3.45Å; Q41-H45 VanDerWaalsContact O-CD2 3.3Å; Q41-H45 PolarHBondContact O-N 2.91Å |
| 42 | L | 63.5 | Low | 64.1 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.7 | -55.9 | 176.1 | -75 | 156.6 | 0 | 0 | 0 | 110.9 | L38 Q39 G44 D46 | L38-L42 HydrophobicContact CD1-CD1 4.38Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 WeakPolarHBondContact O-CB 3.04Å; L38-L42 WeakPolarHBondContact O-CD1 3.11Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.15Å; L38-L42 PolarHBondContact O-N 3.18Å; Q39-L42 PolarHBondContact O-N 3.45Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-D46 PolarHBondContact O-N 3.47Å |
| 43 | R | 60.6 | Low | 63.7 | Low | 188 Ų | 188 | 104.7 Ų | 104.7 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.6 | -30.3 | 176 | -74.5 | -172.6 | 165.8 | 172.8 | -2.1 | 112.7 | Q39 A47 | Q39-R43 VanDerWaalsContact O-CB 3.28Å; Q39-R43 WeakPolarHBondContact O-CB 3.48Å; Q39-R43 PolarHBondContact O-N 3.38Å; R43-A47 VanDerWaalsContact O-CB 3.22Å; R43-A47 WeakPolarHBondContact O-CB 3.28Å; R43-A47 PolarHBondContact O-N 2.86Å |
| 44 | G | 59.1 | Low | 63 | Low | 20 Ų | 20 | 104.9 Ų | 104.9 | 21% | 0.206 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -81.5 | -22.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | L40 L42 A48 | L40-G44 WeakPolarHBondContact O-CA 3.48Å; L40-G44 PolarHBondContact O-N 2.84Å; L42-G44 VanDerWaalsContact C-N 3.34Å; G44-A48 VanDerWaalsContact O-CA 3.31Å; G44-A48 WeakPolarHBondContact O-CA 3.33Å; G44-A48 WeakPolarHBondContact O-CB 3.38Å; G44-A48 PolarHBondContact O-N 3.3Å |
| 45 | H | 59.5 | Low | 62.3 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.1 | -40.7 | 166 | -97.5 | -56.9 | 0 | 0 | 0 | 110.6 | Q41 R49 | Q41-H45 WeakPolarHBondContact O-CA 3.28Å; Q41-H45 WeakPolarHBondContact O-CB 3.18Å; Q41-H45 PolarHBondContact O-CD2 3.45Å; Q41-H45 VanDerWaalsContact O-CD2 3.3Å; Q41-H45 PolarHBondContact O-N 2.91Å; H45-R49 WeakPolarHBondContact O-CB 3.42Å; H45-R49 PolarHBondContact O-N 2.68Å |
| 46 | D | 62.1 | Low | 61.6 | Low | 85 Ų | 85 | 102 Ų | 102 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 173.6 | -85.1 | -29.1 | 0 | 0 | 0 | 112.4 | L42 R49 R50 | L42-D46 PolarHBondContact O-N 3.47Å; D46-R49 PolarHBondContact O-N 2.75Å; D46-R50 VanDerWaalsContact O-CB 3.28Å; D46-R50 WeakPolarHBondContact O-CB 3.46Å; D46-R50 WeakPolarHBondContact O-CG 3.32Å; D46-R50 PolarHBondContact O-N 3.46Å |
| 47 | A | 57.6 | Low | 60.8 | Low | 47 Ų | 47 | 104.9 Ų | 104.9 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R43 L51 | R43-A47 VanDerWaalsContact O-CB 3.22Å; R43-A47 WeakPolarHBondContact O-CB 3.28Å; R43-A47 PolarHBondContact O-N 2.86Å; A47-L51 WeakPolarHBondContact O-CA 3.29Å; A47-L51 WeakPolarHBondContact O-CB 3.26Å; A47-L51 WeakPolarHBondContact O-CD1 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.11Å; A47-L51 PolarHBondContact O-N 2.76Å |
| 48 | A | 55.9 | Low | 60 | Low | 49 Ų | 49 | 104.6 Ų | 104.6 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G44 L51 R52 | G44-A48 VanDerWaalsContact O-CA 3.31Å; G44-A48 WeakPolarHBondContact O-CA 3.33Å; G44-A48 WeakPolarHBondContact O-CB 3.38Å; G44-A48 PolarHBondContact O-N 3.3Å; A48-L51 CarbonylContact O-C 3.45Å; A48-L51 PolarHBondContact O-N 3.45Å; A48-R52 VanDerWaalsContact O-CB 3.31Å; A48-R52 WeakPolarHBondContact O-CB 3.39Å; A48-R52 PolarHBondContact O-N 2.8Å |
| 49 | R | 60.8 | Low | 59.3 | Low | 176 Ų | 176 | 106.8 Ų | 106.8 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -41.3 | 173.6 | -165.8 | -175.2 | -64.3 | -173.2 | 0.3 | 110.7 | H45 D46 R52 A53 | H45-R49 WeakPolarHBondContact O-CB 3.42Å; H45-R49 PolarHBondContact O-N 2.68Å; D46-R49 PolarHBondContact O-N 2.75Å; R49-R52 PolarHBondContact O-N 3.5Å; R49-A53 WeakPolarHBondContact O-CB 3.47Å; R49-A53 PolarHBondContact O-N 2.81Å |
| 50 | R | 60.4 | Low | 58.8 | Low | 182 Ų | 182 | 105.4 Ų | 105.4 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.8 | -39.3 | 170.4 | -73 | 173.6 | -176.3 | -178.4 | 2.2 | 112.2 | D46 A53 L54 | D46-R50 VanDerWaalsContact O-CB 3.28Å; D46-R50 WeakPolarHBondContact O-CB 3.46Å; D46-R50 WeakPolarHBondContact O-CG 3.32Å; D46-R50 PolarHBondContact O-N 3.46Å; R50-A53 PolarHBondContact O-N 3.13Å; R50-L54 WeakPolarHBondContact O-CB 3.16Å; R50-L54 WeakPolarHBondContact O-CG 3.26Å; R50-L54 PolarHBondContact O-N 3.41Å |
| 51 | L | 55.4 | Low | 58.4 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 174 | -79.7 | 167.1 | 0 | 0 | 0 | 111.5 | A47 A48 L54 A55 | A47-L51 WeakPolarHBondContact O-CA 3.29Å; A47-L51 WeakPolarHBondContact O-CB 3.26Å; A47-L51 WeakPolarHBondContact O-CD1 3.3Å; A47-L51 WeakPolarHBondContact O-CG 3.11Å; A47-L51 PolarHBondContact O-N 2.76Å; A48-L51 CarbonylContact O-C 3.45Å; A48-L51 PolarHBondContact O-N 3.45Å; L51-L54 CarbonylContact O-C 3.53Å; L51-L54 PolarHBondContact O-N 2.81Å; L51-A55 WeakPolarHBondContact O-CA 3.38Å; L51-A55 WeakPolarHBondContact O-CB 3.1Å; L51-A55 PolarHBondContact O-N 2.88Å |
| 52 | R | 58.6 | Low | 58.2 | Low | 215 Ų | 215 | 98.8 Ų | 98.8 | 81% | 0.811 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 172.1 | -117.8 | 171.4 | 175.5 | 159.5 | -2.1 | 111.4 | A48 R49 L54 A55 G56 | A48-R52 VanDerWaalsContact O-CB 3.31Å; A48-R52 WeakPolarHBondContact O-CB 3.39Å; A48-R52 PolarHBondContact O-N 2.8Å; R49-R52 PolarHBondContact O-N 3.5Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.5Å; R52-A55 PolarHBondContact O-N 2.88Å; R52-G56 PolarHBondContact O-N 3.39Å |
| 53 | A | 60.3 | Low | 58.3 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R49 R50 | R49-A53 WeakPolarHBondContact O-CB 3.47Å; R49-A53 PolarHBondContact O-N 2.81Å; R50-A53 PolarHBondContact O-N 3.13Å |
| 54 | L | 53.1 | Low | 58.6 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.2 | -26.2 | 173.3 | -71.1 | 166.3 | 0 | 0 | 0 | 113.3 | R50 L51 R52 G56 Q57 L62 | R50-L54 WeakPolarHBondContact O-CB 3.16Å; R50-L54 WeakPolarHBondContact O-CG 3.26Å; R50-L54 PolarHBondContact O-N 3.41Å; L51-L54 CarbonylContact O-C 3.53Å; L51-L54 PolarHBondContact O-N 2.81Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.5Å; L54-G56 PolarHBondContact O-N 2.73Å; L54-Q57 VanDerWaalsContact O-CB 3.27Å; L54-Q57 WeakPolarHBondContact O-CB 3.35Å; L54-Q57 PolarHBondContact O-N 2.8Å; L54-L62 HydrophobicContact CB-CD1 4.43Å; L54-L62 HydrophobicContact CB-CD2 4.38Å; L54-L62 WeakPolarHBondContact O-CD1 3.26Å |
| 55 | A | 52.3 | Low | 59.1 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.8 | -6.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L51 R52 Q57 L62 | L51-A55 WeakPolarHBondContact O-CA 3.38Å; L51-A55 WeakPolarHBondContact O-CB 3.1Å; L51-A55 PolarHBondContact O-N 2.88Å; R52-A55 PolarHBondContact O-N 2.88Å; A55-Q57 PolarHBondContact O-N 3.25Å; A55-L62 HydrophobicContact CB-CD1 4.48Å |
| 56 | G | 54.7 | Low | 59.8 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R52 L54 | R52-G56 PolarHBondContact O-N 3.39Å; L54-G56 PolarHBondContact O-N 2.73Å |
| 57 | Q | 56.7 | Low | 60.5 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -95.3 | 152.9 | 169.7 | -103.8 | -122.8 | 75.1 | 0 | 0 | 111.5 | L54 A55 L59 | L54-Q57 VanDerWaalsContact O-CB 3.27Å; L54-Q57 WeakPolarHBondContact O-CB 3.35Å; L54-Q57 PolarHBondContact O-N 2.8Å; A55-Q57 PolarHBondContact O-N 3.25Å; Q57-L59 PolarHBondContact O-N 3.41Å |
| 58 | P | 53.7 | Low | 61.6 | Low | 87 Ų | 87 | 105 Ų | 105 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | trans | -55.7 | 124.8 | -169.9 | -19.8 | 31.7 | 0 | 0 | 0 | 111.1 | G60 S61 | P58-G60 PolarHBondContact O-N 2.82Å; P58-S61 PolarHBondContact O-N 2.77Å; P58-S61 PolarHBondContact O-OG 3.27Å; P58-S61 VanDerWaalsContact O-OG 3.07Å | ||
| 59 | L | 58.1 | Low | 63 | Low | 141 Ų | 141 | 109.6 Ų | 109.6 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -45.6 | -27.8 | -178.3 | -114.7 | 73.3 | 0 | 0 | 0 | 113.9 | Q57 S61 G63 | Q57-L59 PolarHBondContact O-N 3.41Å; L59-S61 PolarHBondContact O-N 3.49Å; L59-G63 PolarHBondContact O-N 3.31Å |
| 60 | G | 58.2 | Low | 64 | Low | 47 Ų | 47 | 106.8 Ų | 106.8 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.2 | -22.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P58 | P58-G60 PolarHBondContact O-N 2.82Å |
| 61 | S | 59.1 | Low | 65.2 | Low | 43 Ų | 43 | 102 Ų | 102 | 30% | 0.301 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -85.1 | -37.6 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | P58 L59 R65 | P58-S61 PolarHBondContact O-N 2.77Å; P58-S61 PolarHBondContact O-OG 3.27Å; P58-S61 VanDerWaalsContact O-OG 3.07Å; L59-S61 PolarHBondContact O-N 3.49Å; S61-R65 PolarHBondContact O-N 3.29Å; S61-R65 VanDerWaalsContact O-N 3.16Å |
| 62 | L | 62.8 | Low | 66.6 | Low | 43 Ų | 43 | 101.1 Ų | 101.1 | 23% | 0.225 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 174.1 | -81.8 | 165.9 | 0 | 0 | 0 | 111.7 | L54 A55 R64 R65 A66 | L54-L62 HydrophobicContact CB-CD1 4.43Å; L54-L62 HydrophobicContact CB-CD2 4.38Å; L54-L62 WeakPolarHBondContact O-CD1 3.26Å; A55-L62 HydrophobicContact CB-CD1 4.48Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.48Å; L62-R65 PolarHBondContact O-N 3.41Å; L62-A66 VanDerWaalsContact O-CB 3.28Å; L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 2.75Å |
| 63 | G | 64.8 | Low | 67.9 | Low | 37 Ų | 37 | 96.1 Ų | 96.1 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L59 R65 A66 T67 | L59-G63 PolarHBondContact O-N 3.31Å; G63-R65 PolarHBondContact O-N 3.5Å; G63-A66 PolarHBondContact O-N 2.8Å; G63-T67 PolarHBondContact O-N 2.71Å; G63-T67 PolarHBondContact O-OG1 3.18Å |
| 64 | R | 67.5 | Low | 69.3 | Low | 184 Ų | 184 | 95.5 Ų | 95.5 | 69% | 0.694 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 177 | -83.8 | -171.8 | -106.5 | -160.7 | -6 | 113.2 | L62 R68 | L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.48Å; R64-R68 WeakPolarHBondContact O-CG 3.37Å; R64-R68 PolarHBondContact O-N 3.3Å; R64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 68.9 | Low | 70.9 | Confident | 180 Ų | 180 | 97.2 Ų | 97.2 | 68% | 0.679 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -40.1 | 176.2 | -77.1 | 179.1 | 179.5 | 179.9 | 0.1 | 112.1 | S61 L62 G63 R68 F69 | S61-R65 PolarHBondContact O-N 3.29Å; S61-R65 VanDerWaalsContact O-N 3.16Å; L62-R65 PolarHBondContact O-N 3.41Å; G63-R65 PolarHBondContact O-N 3.5Å; R65-R68 PolarHBondContact O-N 2.86Å; R65-F69 WeakPolarHBondContact O-CB 3.46Å; R65-F69 PolarHBondContact O-N 2.79Å |
| 66 | A | 74.7 | Confident | 72.5 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L62 G63 F69 K70 | L62-A66 VanDerWaalsContact O-CB 3.28Å; L62-A66 WeakPolarHBondContact O-CB 3.3Å; L62-A66 PolarHBondContact O-N 2.75Å; G63-A66 PolarHBondContact O-N 2.8Å; A66-F69 PolarHBondContact O-N 2.82Å; A66-K70 VanDerWaalsContact O-CB 3.31Å; A66-K70 WeakPolarHBondContact O-CB 3.29Å; A66-K70 PolarHBondContact O-N 3.24Å |
| 67 | T | 77.1 | Confident | 73.9 | Confident | 70 Ų | 70 | 101 Ų | 101 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | G63 F69 K70 D71 | G63-T67 PolarHBondContact O-N 2.71Å; G63-T67 PolarHBondContact O-OG1 3.18Å; T67-F69 PolarHBondContact O-N 2.83Å; T67-K70 WeakPolarHBondContact O-CB 3.37Å; T67-K70 PolarHBondContact O-N 3.45Å; T67-D71 PolarHBondContact O-N 3.15Å |
| 68 | R | 79.8 | Confident | 75.1 | Confident | 180 Ų | 180 | 103.5 Ų | 103.5 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 176.6 | -73.4 | -179.6 | -177.9 | -171.9 | 0.1 | 112.4 | R64 R65 K70 D71 T72 | R64-R68 WeakPolarHBondContact O-CG 3.37Å; R64-R68 PolarHBondContact O-N 3.3Å; R64-R68 VanDerWaalsContact O-N 3.12Å; R65-R68 PolarHBondContact O-N 2.86Å; R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 3.49Å; R68-D71 PolarHBondContact O-N 3.42Å; R68-T72 PolarHBondContact O-N 2.96Å; R68-T72 PolarHBondContact O-OG1 2.86Å |
| 69 | F | 85.4 | Confident | 76.2 | Confident | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -45.1 | 176.6 | 177.4 | -95 | 0 | 0 | 0 | 111.6 | R65 A66 T67 D71 T72 F73 | R65-F69 WeakPolarHBondContact O-CB 3.46Å; R65-F69 PolarHBondContact O-N 2.79Å; A66-F69 PolarHBondContact O-N 2.82Å; T67-F69 PolarHBondContact O-N 2.83Å; F69-D71 VanDerWaalsContact C-N 3.34Å; F69-D71 PolarHBondContact O-N 3.47Å; F69-T72 PolarHBondContact O-N 3.48Å; F69-F73 HydrophobicContact CE1-CB 4.46Å; F69-F73 WeakPolarHBondContact O-CB 3.4Å; F69-F73 PolarHBondContact O-N 2.82Å |
| 70 | K | 81.6 | Confident | 77.2 | Confident | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.6 | -178.8 | -158.2 | 68.6 | 173.5 | 0 | 111.3 | A66 T67 R68 F73 T74 | A66-K70 VanDerWaalsContact O-CB 3.31Å; A66-K70 WeakPolarHBondContact O-CB 3.29Å; A66-K70 PolarHBondContact O-N 3.24Å; T67-K70 WeakPolarHBondContact O-CB 3.37Å; T67-K70 PolarHBondContact O-N 3.45Å; R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 3.49Å; K70-F73 PolarHBondContact O-N 3.07Å; K70-T74 VanDerWaalsContact O-CB 3.3Å; K70-T74 WeakPolarHBondContact O-CB 3.08Å; K70-T74 PolarHBondContact O-N 2.93Å; K70-T74 PolarHBondContact O-OG1 2.79Å |
| 71 | D | 86 | Confident | 78 | Confident | 82 Ų | 82 | 105.5 Ų | 105.5 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | -179 | -64.1 | -20.9 | 0 | 0 | 0 | 110.9 | T67 R68 F69 T74 Q75 | T67-D71 PolarHBondContact O-N 3.15Å; R68-D71 PolarHBondContact O-N 3.42Å; F69-D71 VanDerWaalsContact C-N 3.34Å; F69-D71 PolarHBondContact O-N 3.47Å; D71-T74 PolarHBondContact O-N 3.46Å; D71-Q75 WeakPolarHBondContact O-CB 3.5Å; D71-Q75 PolarHBondContact O-N 3.42Å |
| 72 | T | 85.1 | Confident | 78.4 | Confident | 81 Ų | 81 | 112.9 Ų | 112.9 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | R68 F69 T74 Q75 E76 | R68-T72 PolarHBondContact O-N 2.96Å; R68-T72 PolarHBondContact O-OG1 2.86Å; F69-T72 PolarHBondContact O-N 3.48Å; T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 3.36Å; T72-Q75 PolarHBondContact O-N 2.58Å; T72-E76 HydrophobicContact CG2-CG 4.44Å; T72-E76 WeakPolarHBondContact O-CG 3.14Å; T72-E76 PolarHBondContact O-N 3.27Å |
| 73 | F | 86.5 | Confident | 78.4 | Confident | 111 Ų | 111 | 116.2 Ų | 116.2 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -42.3 | 177.3 | -178.3 | -96.3 | 0 | 0 | 0 | 111.6 | F69 K70 Q75 E76 L77 | F69-F73 HydrophobicContact CE1-CB 4.46Å; F69-F73 WeakPolarHBondContact O-CB 3.4Å; F69-F73 PolarHBondContact O-N 2.82Å; K70-F73 PolarHBondContact O-N 3.07Å; F73-Q75 VanDerWaalsContact C-N 3.29Å; F73-Q75 PolarHBondContact O-N 3.05Å; F73-E76 PolarHBondContact O-N 3.09Å; F73-L77 HydrophobicContact CE1-CD1 4.26Å; F73-L77 HydrophobicContact CE1-CD2 4.34Å; F73-L77 HydrophobicContact CZ-CD1 4.12Å; F73-L77 WeakPolarHBondContact O-CB 3.27Å; F73-L77 PolarHBondContact O-N 3.35Å |
| 74 | T | 90.3 | Very high | 77.5 | Confident | 68 Ų | 68 | 121.4 Ų | 121.4 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -36.8 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | K70 D71 T72 R78 | K70-T74 VanDerWaalsContact O-CB 3.3Å; K70-T74 WeakPolarHBondContact O-CB 3.08Å; K70-T74 PolarHBondContact O-N 2.93Å; K70-T74 PolarHBondContact O-OG1 2.79Å; D71-T74 PolarHBondContact O-N 3.46Å; T72-T74 VanDerWaalsContact C-N 3.34Å; T72-T74 PolarHBondContact O-N 3.36Å; T74-R78 WeakPolarHBondContact O-CB 3.49Å; T74-R78 PolarHBondContact O-N 3.45Å |
| 75 | Q | 86 | Confident | 76.6 | Confident | 126 Ų | 126 | 118.9 Ų | 118.9 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.3 | -47 | 176.6 | -174.7 | 167 | -0 | 0 | 0 | 111.8 | D71 T72 F73 R78 R79 | D71-Q75 WeakPolarHBondContact O-CB 3.5Å; D71-Q75 PolarHBondContact O-N 3.42Å; T72-Q75 PolarHBondContact O-N 2.58Å; F73-Q75 VanDerWaalsContact C-N 3.29Å; F73-Q75 PolarHBondContact O-N 3.05Å; Q75-R78 PolarHBondContact O-N 3.4Å; Q75-R79 VanDerWaalsContact O-CB 3.24Å; Q75-R79 WeakPolarHBondContact O-CB 3.29Å; Q75-R79 PolarHBondContact O-N 3.28Å |
| 76 | E | 85.6 | Confident | 75.8 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 176.1 | -70.8 | -56.9 | 123.6 | 0 | 0 | 111.9 | T72 F73 R79 G80 | T72-E76 HydrophobicContact CG2-CG 4.44Å; T72-E76 WeakPolarHBondContact O-CG 3.14Å; T72-E76 PolarHBondContact O-N 3.27Å; F73-E76 PolarHBondContact O-N 3.09Å; E76-R79 PolarHBondContact O-N 3.48Å; E76-G80 PolarHBondContact O-N 3.41Å |
| 77 | L | 84.6 | Confident | 74.4 | Confident | 93 Ų | 93 | 116.3 Ų | 116.3 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64 | -45.9 | 175.3 | -165.4 | 82 | 0 | 0 | 0 | 110.8 | F73 R79 L81 | F73-L77 HydrophobicContact CE1-CD1 4.26Å; F73-L77 HydrophobicContact CE1-CD2 4.34Å; F73-L77 HydrophobicContact CZ-CD1 4.12Å; F73-L77 WeakPolarHBondContact O-CB 3.27Å; F73-L77 PolarHBondContact O-N 3.35Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 3.09Å; L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 VanDerWaalsContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CD1 3.33Å; L77-L81 PolarHBondContact O-N 3.39Å |
| 78 | R | 81.3 | Confident | 73.4 | Confident | 170 Ų | 170 | 118.6 Ų | 118.6 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.1 | -35.1 | 175.8 | -179.2 | 179.8 | -76.6 | -161.9 | -3 | 111.6 | T74 Q75 R82 | T74-R78 WeakPolarHBondContact O-CB 3.49Å; T74-R78 PolarHBondContact O-N 3.45Å; Q75-R78 PolarHBondContact O-N 3.4Å; R78-R82 VanDerWaalsContact O-CB 3.23Å; R78-R82 WeakPolarHBondContact O-CB 3.23Å; R78-R82 PolarHBondContact O-N 3.04Å |
| 79 | R | 78 | Confident | 71.9 | Confident | 152 Ų | 152 | 115.7 Ų | 115.7 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -49.2 | 177.5 | -170.3 | 164 | -170.9 | 157.5 | 2.2 | 111.2 | Q75 E76 L77 L81 R82 D83 | Q75-R79 VanDerWaalsContact O-CB 3.24Å; Q75-R79 WeakPolarHBondContact O-CB 3.29Å; Q75-R79 PolarHBondContact O-N 3.28Å; E76-R79 PolarHBondContact O-N 3.48Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 3.09Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 2.95Å; R79-R82 CarbonylContact O-C 3.59Å; R79-R82 WeakPolarHBondContact O-CA 3.28Å; R79-R82 PolarHBondContact O-N 3.38Å; R79-D83 VanDerWaalsContact CG-OD2 3.3Å; R79-D83 WeakPolarHBondContact CG-OD2 3.17Å; R79-D83 WeakPolarHBondContact O-CB 3.27Å; R79-D83 PolarHBondContact O-N 2.94Å |
| 80 | G | 78.1 | Confident | 70.3 | Confident | 44 Ų | 44 | 111.8 Ų | 111.8 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60 | -36.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E76 R82 Q84 | E76-G80 PolarHBondContact O-N 3.41Å; G80-R82 VanDerWaalsContact C-N 3.34Å; G80-Q84 PolarHBondContact O-N 2.88Å |
| 81 | L | 74.3 | Confident | 68.6 | Low | 120 Ų | 120 | 114.5 Ų | 114.5 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -28.3 | 172.4 | -87.8 | 153.3 | 0 | 0 | 0 | 113.5 | L77 R79 | L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 VanDerWaalsContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CD1 3.33Å; L77-L81 PolarHBondContact O-N 3.39Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 2.95Å |
| 82 | R | 68.3 | Low | 66.5 | Low | 198 Ų | 198 | 118.5 Ų | 118.5 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -87.2 | -30.8 | 178.9 | -175 | 171.2 | -71.2 | -137 | -4.6 | 112.4 | R78 R79 G80 Q84 | R78-R82 VanDerWaalsContact O-CB 3.23Å; R78-R82 WeakPolarHBondContact O-CB 3.23Å; R78-R82 PolarHBondContact O-N 3.04Å; R79-R82 CarbonylContact O-C 3.59Å; R79-R82 WeakPolarHBondContact O-CA 3.28Å; R79-R82 PolarHBondContact O-N 3.38Å; G80-R82 VanDerWaalsContact C-N 3.34Å; R82-Q84 VanDerWaalsContact C-N 3.26Å |
| 83 | D | 63 | Low | 64.5 | Low | 114 Ų | 114 | 123 Ų | 123 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.8 | -9.1 | 174.5 | -70.1 | -29.9 | 0 | 0 | 0 | 111.9 | R79 | R79-D83 VanDerWaalsContact CG-OD2 3.3Å; R79-D83 WeakPolarHBondContact CG-OD2 3.17Å; R79-D83 WeakPolarHBondContact O-CB 3.27Å; R79-D83 PolarHBondContact O-N 2.94Å |
| 84 | Q | 45.1 | Very low | 62.8 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75 | 118.2 | 165.7 | -165.2 | 162.3 | -24.7 | 0 | 0 | 109.5 | G80 R82 G86 | G80-Q84 PolarHBondContact O-N 2.88Å; R82-Q84 VanDerWaalsContact C-N 3.26Å; Q84-G86 PolarHBondContact O-N 2.71Å; Q84-G86 VanDerWaalsContact O-N 3.13Å |
| 85 | P | 50.1 | Low | 60.9 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | trans | -79.2 | 108.1 | -160.6 | 30.5 | -33.1 | 0 | 0 | 0 | 110.4 | ||||
| 86 | G | 50.9 | Low | 59.4 | Low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -146.9 | 40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q84 | Q84-G86 PolarHBondContact O-N 2.71Å; Q84-G86 VanDerWaalsContact O-N 3.13Å | ||
| 87 | S | 45.1 | Very low | 57.9 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | -166 | 91.6 | 163.5 | -78.2 | 0 | 0 | 0 | 0 | 109.6 | P89 | S87-P89 WeakPolarHBondContact O-CD 3.49Š| ||
| 88 | S | 57.4 | Low | 56.2 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -58.6 | 122 | 154.5 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 89 | P | 46.3 | Very low | 54.6 | Low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -92.1 | 99.3 | 165.5 | 23.8 | -7.9 | 0 | 0 | 0 | 107.4 | S87 H91 | S87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-H91 PolarHBondContact O-N 3.38Å | ||
| 90 | G | 53 | Low | 53.5 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -62.4 | 119 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 91 | H | 45.4 | Very low | 52.2 | Low | 173 Ų | 173 | 131.5 Ų | 131.5 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -173.9 | 145.5 | 142.1 | -128 | -93 | 0 | 0 | 0 | 112 | P89 | P89-H91 PolarHBondContact O-N 3.38Š| ||
| 92 | Q | 43.1 | Very low | 50.9 | Low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 91.2 | 127.9 | 163.2 | -61.6 | -178.4 | 97.6 | 0 | 0 | 115.7 | ||||
| 93 | K | 42.4 | Very low | 49.9 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | cis | -175.8 | 120.2 | 8 | 170.6 | 177.8 | -171.9 | -179.9 | 0 | 105.9 | ||||
| 94 | G | 51.5 | Low | 49.1 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -70.7 | 145 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | P | 48.5 | Very low | 49.4 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -119.6 | 119.1 | 148.3 | 31.4 | -18 | 0 | 0 | 0 | 108.9 | ||||
| 96 | G | 55.6 | Low | 49.3 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -76.6 | 126.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 97 | T | 53.6 | Low | 49.2 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | -160.2 | 104.4 | 152.3 | 46.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 98 | K | 48.6 | Very low | 49.5 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | 56 | 96.8 | 100.2 | -69.3 | 178.3 | -179.3 | -86 | 0 | 113.2 | |||||
| 99 | S | 49 | Very low | 48.8 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 100% | 1.413 | 83% | 0.83 | S | S | * | * | -172.6 | 0 | 124.9 | -73.8 | 0 | 0 | 0 | 0 | 109 |
Retrieved 99 of 99 residues in 116.4 ms
(Link to these results)