| 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 | 44.5 | Very low | 48.4 | Very low | 232 Ų | 232 | 121.9 Ų | 121.9 | 100% | 1.143 | 62% | 0.622 | S | S | * | * | 0 | 138.5 | 0 | -79.3 | 176.1 | 168.2 | 0 | 0 | 108.6 | P3 | M1-P3 WeakPolarHBondContact O-CD 2.9Š| |||
| 2 | N | 41.5 | Very low | 48.5 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | trans | -84.4 | 109.9 | -177.5 | -164.2 | -16.2 | 0 | 0 | 0 | 109.3 | R4 A5 | N2-R4 PolarHBondContact O-N 3.07Å; N2-R4 VanDerWaalsContact O-N 3.1Å; N2-A5 PolarHBondContact O-N 3.07Å; N2-A5 VanDerWaalsContact O-N 3.1Å | ||
| 3 | P | 52.7 | Low | 48.6 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.3 | -25.4 | -172.9 | 22.3 | -32.2 | 0 | 0 | 0 | 112.9 | M1 A5 V6 I7 | M1-P3 WeakPolarHBondContact O-CD 2.9Å; P3-A5 PolarHBondContact O-N 3.26Å; P3-V6 PolarHBondContact O-N 2.9Å; P3-I7 WeakPolarHBondContact O-CG1 3.2Å; P3-I7 PolarHBondContact O-N 2.95Å |
| 4 | R | 46.3 | Very low | 49.1 | Very low | 203 Ų | 203 | 123.7 Ų | 123.7 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -36.4 | 176.8 | -114.5 | 178.9 | 163.9 | 150.1 | -4 | 113.8 | N2 M8 | N2-R4 PolarHBondContact O-N 3.07Å; N2-R4 VanDerWaalsContact O-N 3.1Å; R4-M8 PolarHBondContact O-N 3.35Å |
| 5 | A | 48.2 | Very low | 48.9 | Very low | 41 Ų | 41 | 118.6 Ų | 118.6 | 34% | 0.339 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.3 | -40.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N2 P3 I7 M8 Y9 | N2-A5 PolarHBondContact O-N 3.07Å; N2-A5 VanDerWaalsContact O-N 3.1Å; P3-A5 PolarHBondContact O-N 3.26Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.29Å; A5-M8 PolarHBondContact O-N 2.8Å; A5-Y9 VanDerWaalsContact O-CD2 3.28Å; A5-Y9 WeakPolarHBondContact O-CD2 3.34Å; A5-Y9 PolarHBondContact O-N 3.16Å |
| 6 | V | 47.5 | Very low | 49.4 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -39.7 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | P3 A10 | P3-V6 PolarHBondContact O-N 2.9Å; V6-A10 PolarHBondContact O-N 2.99Å; V6-A10 VanDerWaalsContact O-N 3.14Å |
| 7 | I | 55.4 | Low | 49.9 | Very low | 103 Ų | 103 | 115.1 Ų | 115.1 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 177.6 | -63 | 167 | 0 | 0 | 0 | 111.5 | P3 A5 A10 N11 | P3-I7 WeakPolarHBondContact O-CG1 3.2Å; P3-I7 PolarHBondContact O-N 2.95Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.29Å; I7-A10 PolarHBondContact O-N 3Å; I7-N11 PolarHBondContact O-N 3.29Å; I7-N11 VanDerWaalsContact O-N 3.08Å; I7-N11 PolarHBondContact O-ND2 2.92Å |
| 8 | M | 52 | Low | 50.3 | Low | 137 Ų | 137 | 113.5 Ų | 113.5 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -42.1 | 178.6 | -74.9 | -159.4 | -67.1 | 0 | 0 | 112.5 | R4 A5 N11 Y12 | R4-M8 PolarHBondContact O-N 3.35Å; A5-M8 PolarHBondContact O-N 2.8Å; M8-N11 PolarHBondContact O-N 3.34Å; M8-Y12 PolarHBondContact O-N 3.36Å; M8-Y12 VanDerWaalsContact O-N 3.14Å |
| 9 | Y | 49.5 | Very low | 50.4 | Low | 175 Ų | 175 | 109.8 Ų | 109.8 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -43.1 | 176.9 | -82.4 | -78 | 0 | 0 | 0 | 112.2 | A5 N11 Y12 E13 | A5-Y9 VanDerWaalsContact O-CD2 3.28Å; A5-Y9 WeakPolarHBondContact O-CD2 3.34Å; A5-Y9 PolarHBondContact O-N 3.16Å; Y9-N11 VanDerWaalsContact C-N 3.28Å; Y9-N11 PolarHBondContact O-N 3.48Å; Y9-Y12 PolarHBondContact O-N 3.46Å; Y9-E13 PolarHBondContact O-N 3.11Å; Y9-E13 VanDerWaalsContact O-N 3.09Å |
| 10 | A | 47 | Very low | 50.6 | Low | 43 Ų | 43 | 113.5 Ų | 113.5 | 36% | 0.355 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.4 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V6 I7 N14 | V6-A10 PolarHBondContact O-N 2.99Å; V6-A10 VanDerWaalsContact O-N 3.14Å; I7-A10 PolarHBondContact O-N 3Å; A10-N14 WeakPolarHBondContact O-CB 3.29Å; A10-N14 PolarHBondContact O-N 3.42Å; A10-N14 VanDerWaalsContact O-N 3.1Å; A10-N14 PolarHBondContact O-ND2 2.91Å |
| 11 | N | 47.9 | Very low | 51 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.3 | -36.3 | 177.1 | -73 | -17 | 0 | 0 | 0 | 112.8 | I7 M8 Y9 G15 | I7-N11 PolarHBondContact O-N 3.29Å; I7-N11 VanDerWaalsContact O-N 3.08Å; I7-N11 PolarHBondContact O-ND2 2.92Å; M8-N11 PolarHBondContact O-N 3.34Å; Y9-N11 VanDerWaalsContact C-N 3.28Å; Y9-N11 PolarHBondContact O-N 3.48Å; N11-G15 PolarHBondContact O-N 2.78Å |
| 12 | Y | 49.1 | Very low | 51.7 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.6 | -44 | 178.5 | -170.2 | -101.9 | 0 | 0 | 0 | 112 | M8 Y9 G15 L16 | M8-Y12 PolarHBondContact O-N 3.36Å; M8-Y12 VanDerWaalsContact O-N 3.14Å; Y9-Y12 PolarHBondContact O-N 3.46Å; Y12-G15 PolarHBondContact O-N 2.97Å; Y12-L16 HydrophobicContact CD1-CD1 3.77Å; Y12-L16 HydrophobicContact CD1-CG 4.42Å; Y12-L16 HydrophobicContact CE1-CD1 3.32Å; Y12-L16 HydrophobicContact CE1-CG 4.09Å; Y12-L16 PolarHBondContact O-N 3.08Å |
| 13 | E | 50.2 | Low | 52.6 | Low | 128 Ų | 128 | 111.9 Ų | 111.9 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -41.7 | 175.5 | -74.3 | -168.5 | 162 | 0 | 0 | 112 | Y9 G15 L16 N17 | Y9-E13 PolarHBondContact O-N 3.11Å; Y9-E13 VanDerWaalsContact O-N 3.09Å; E13-G15 PolarHBondContact O-N 2.75Å; E13-L16 PolarHBondContact O-N 3.25Å; E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.08Å; E13-N17 PolarHBondContact O-ND2 3.39Å |
| 14 | N | 55.8 | Low | 53 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 174.8 | -80 | -19.3 | 0 | 0 | 0 | 112 | A10 N17 V18 | A10-N14 WeakPolarHBondContact O-CB 3.29Å; A10-N14 PolarHBondContact O-N 3.42Å; A10-N14 VanDerWaalsContact O-N 3.1Å; A10-N14 PolarHBondContact O-ND2 2.91Å; N14-N17 PolarHBondContact O-N 3.3Å; N14-V18 VanDerWaalsContact O-CG2 3.29Å; N14-V18 WeakPolarHBondContact O-CG2 3.21Å; N14-V18 PolarHBondContact O-N 3.47Å |
| 15 | G | 45.7 | Very low | 53.4 | Low | 47 Ų | 47 | 107.8 Ų | 107.8 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N11 Y12 E13 G19 | N11-G15 PolarHBondContact O-N 2.78Å; Y12-G15 PolarHBondContact O-N 2.97Å; E13-G15 PolarHBondContact O-N 2.75Å; G15-G19 PolarHBondContact O-N 3.18Å; G15-G19 VanDerWaalsContact O-N 3.08Å |
| 16 | L | 56.5 | Low | 54 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -39.8 | 177 | -77.2 | 175.3 | 0 | 0 | 0 | 112.6 | Y12 E13 G19 R20 | Y12-L16 HydrophobicContact CD1-CD1 3.77Å; Y12-L16 HydrophobicContact CD1-CG 4.42Å; Y12-L16 HydrophobicContact CE1-CD1 3.32Å; Y12-L16 HydrophobicContact CE1-CG 4.09Å; Y12-L16 PolarHBondContact O-N 3.08Å; E13-L16 PolarHBondContact O-N 3.25Å; L16-G19 PolarHBondContact O-N 3.46Å; L16-R20 WeakPolarHBondContact O-CG 3.35Å; L16-R20 PolarHBondContact O-N 3.3Å |
| 17 | N | 57.7 | Low | 54.3 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -41.3 | 178.3 | -76.2 | -23.4 | 0 | 0 | 0 | 111.9 | E13 N14 G19 R20 E21 | E13-N17 WeakPolarHBondContact O-CB 3.49Å; E13-N17 PolarHBondContact O-N 3.08Å; E13-N17 PolarHBondContact O-ND2 3.39Å; N14-N17 PolarHBondContact O-N 3.3Å; N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.31Å; N17-R20 PolarHBondContact O-N 3.12Å; N17-E21 WeakPolarHBondContact O-CB 3.27Å; N17-E21 PolarHBondContact O-N 3.36Å |
| 18 | V | 58 | Low | 54.4 | Low | 87 Ų | 87 | 114 Ų | 114 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -39.6 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | N14 R22 | N14-V18 VanDerWaalsContact O-CG2 3.29Å; N14-V18 WeakPolarHBondContact O-CG2 3.21Å; N14-V18 PolarHBondContact O-N 3.47Å; V18-R22 PolarHBondContact O-N 3.13Å; V18-R22 VanDerWaalsContact O-N 3.13Å |
| 19 | G | 52 | Low | 54.1 | Low | 43 Ų | 43 | 113.5 Ų | 113.5 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G15 L16 N17 R22 F23 | G15-G19 PolarHBondContact O-N 3.18Å; G15-G19 VanDerWaalsContact O-N 3.08Å; L16-G19 PolarHBondContact O-N 3.46Å; N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.31Å; G19-R22 PolarHBondContact O-N 3.47Å; G19-F23 PolarHBondContact O-N 2.96Å; G19-F23 VanDerWaalsContact O-N 3.15Å |
| 20 | R | 54.6 | Low | 54.1 | Low | 183 Ų | 183 | 109 Ų | 109 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 177.1 | -77.8 | -178.7 | 176.2 | -176.9 | -0.3 | 112.3 | L16 N17 R22 F23 V24 | L16-R20 WeakPolarHBondContact O-CG 3.35Å; L16-R20 PolarHBondContact O-N 3.3Å; N17-R20 PolarHBondContact O-N 3.12Å; R20-R22 PolarHBondContact O-N 3.25Å; R20-F23 PolarHBondContact O-N 2.81Å; R20-V24 WeakPolarHBondContact O-CG2 3.47Å; R20-V24 PolarHBondContact O-N 3.04Å |
| 21 | E | 59.9 | Low | 54.1 | Low | 109 Ų | 109 | 113.5 Ų | 113.5 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -38.3 | -179.7 | -153.2 | -174 | 171 | 0 | 0 | 111.8 | N17 V24 R25 | N17-E21 WeakPolarHBondContact O-CB 3.27Å; N17-E21 PolarHBondContact O-N 3.36Å; E21-V24 PolarHBondContact O-N 3.39Å; E21-R25 WeakPolarHBondContact O-CG 3.43Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.86Å; E21-R25 IonicContact OE1-NE 3.59Å; E21-R25 IonicContact OE1-NH2 3.85Å; E21-R25 PolarHBondContact OE1-NH2 3.01Å |
| 22 | R | 58.8 | Low | 53.9 | Low | 195 Ų | 195 | 115 Ų | 115 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.1 | -45.4 | 171.5 | -88.8 | -171.6 | 177.6 | -172.5 | -0.2 | 112.4 | V18 G19 R20 R25 Q26 | V18-R22 PolarHBondContact O-N 3.13Å; V18-R22 VanDerWaalsContact O-N 3.13Å; G19-R22 PolarHBondContact O-N 3.47Å; R20-R22 PolarHBondContact O-N 3.25Å; R22-R25 PolarHBondContact O-N 3.49Å; R22-Q26 WeakPolarHBondContact O-CB 3.44Å; R22-Q26 PolarHBondContact O-N 3.17Å |
| 23 | F | 59.5 | Low | 53.5 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 54% | 0.544 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63 | -43.1 | -179.8 | -175 | -99.5 | 0 | 0 | 0 | 112.1 | G19 R20 Q26 Q27 | G19-F23 PolarHBondContact O-N 2.96Å; G19-F23 VanDerWaalsContact O-N 3.15Å; R20-F23 PolarHBondContact O-N 2.81Å; F23-Q26 PolarHBondContact O-N 2.89Å; F23-Q27 HydrophobicContact CE1-CG 4.29Å; F23-Q27 HydrophobicContact CZ-CG 4.47Å; F23-Q27 PolarHBondContact O-N 2.97Å |
| 24 | V | 62.2 | Low | 53.4 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -43.8 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | R20 E21 Q26 Q27 Q28 | R20-V24 WeakPolarHBondContact O-CG2 3.47Å; R20-V24 PolarHBondContact O-N 3.04Å; E21-V24 PolarHBondContact O-N 3.39Å; V24-Q26 VanDerWaalsContact C-N 3.32Å; V24-Q26 PolarHBondContact O-N 3.05Å; V24-Q27 PolarHBondContact O-N 3.23Å; V24-Q28 WeakPolarHBondContact O-CG 3.47Å; V24-Q28 PolarHBondContact O-N 2.78Å |
| 25 | R | 54.4 | Low | 52.7 | Low | 132 Ų | 132 | 114.8 Ų | 114.8 | 50% | 0.498 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -38.4 | 175.2 | -72.4 | -173.6 | -168.1 | 168.8 | 6.6 | 112 | E21 R22 Q27 Q28 H29 | E21-R25 WeakPolarHBondContact O-CG 3.43Å; E21-R25 PolarHBondContact O-N 3.48Å; E21-R25 IonicContact OE1-CZ 3.86Å; E21-R25 IonicContact OE1-NE 3.59Å; E21-R25 IonicContact OE1-NH2 3.85Å; E21-R25 PolarHBondContact OE1-NH2 3.01Å; R22-R25 PolarHBondContact O-N 3.49Å; R25-Q27 VanDerWaalsContact C-N 3.32Å; R25-Q27 PolarHBondContact O-N 2.75Å; R25-Q28 PolarHBondContact O-N 3.5Å; R25-H29 PolarHBondContact O-CD2 3.25Å; R25-H29 PolarHBondContact O-N 3.46Å |
| 26 | Q | 60 | Low | 52.4 | Low | 135 Ų | 135 | 119.6 Ų | 119.6 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.1 | -35.4 | 179.1 | -154.1 | 169.3 | 28.8 | 0 | 0 | 111.9 | R22 F23 V24 S30 | R22-Q26 WeakPolarHBondContact O-CB 3.44Å; R22-Q26 PolarHBondContact O-N 3.17Å; F23-Q26 PolarHBondContact O-N 2.89Å; V24-Q26 VanDerWaalsContact C-N 3.32Å; V24-Q26 PolarHBondContact O-N 3.05Å; Q26-S30 WeakPolarHBondContact O-CB 3.43Å; Q26-S30 PolarHBondContact O-N 3.03Å; Q26-S30 PolarHBondContact O-OG 3.14Å |
| 27 | Q | 54.3 | Low | 51.4 | Low | 116 Ų | 116 | 120 Ų | 120 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.7 | -43.7 | 171.2 | -72.6 | -148.3 | -0.1 | 0 | 0 | 112.3 | F23 V24 R25 H29 S30 E31 | F23-Q27 HydrophobicContact CE1-CG 4.29Å; F23-Q27 HydrophobicContact CZ-CG 4.47Å; F23-Q27 PolarHBondContact O-N 2.97Å; V24-Q27 PolarHBondContact O-N 3.23Å; R25-Q27 VanDerWaalsContact C-N 3.32Å; R25-Q27 PolarHBondContact O-N 2.75Å; Q27-H29 PolarHBondContact O-N 3.22Å; Q27-S30 PolarHBondContact O-N 3.38Å; Q27-E31 PolarHBondContact O-N 3.48Å |
| 28 | Q | 57.9 | Low | 50.5 | Low | 117 Ų | 117 | 125.9 Ų | 125.9 | 55% | 0.547 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.4 | -37.4 | 178.7 | -71.9 | 178.7 | -10.8 | 0 | 0 | 112.9 | V24 R25 E31 | V24-Q28 WeakPolarHBondContact O-CG 3.47Å; V24-Q28 PolarHBondContact O-N 2.78Å; R25-Q28 PolarHBondContact O-N 3.5Å; Q28-E31 PolarHBondContact O-N 3.34Å |
| 29 | H | 45.1 | Very low | 49.6 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.1 | -30.2 | 175.3 | -72.8 | -64.3 | 0 | 0 | 0 | 113.1 | R25 Q27 E31 L32 | R25-H29 PolarHBondContact O-CD2 3.25Å; R25-H29 PolarHBondContact O-N 3.46Å; Q27-H29 PolarHBondContact O-N 3.22Å; H29-E31 PolarHBondContact O-N 2.93Å; H29-L32 PolarHBondContact O-N 2.87Å |
| 30 | S | 49.4 | Very low | 48.8 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.8 | -20.3 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | Q26 Q27 | Q26-S30 WeakPolarHBondContact O-CB 3.43Å; Q26-S30 PolarHBondContact O-N 3.03Å; Q26-S30 PolarHBondContact O-OG 3.14Å; Q27-S30 PolarHBondContact O-N 3.38Å |
| 31 | E | 46.3 | Very low | 48 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83 | -24.2 | 174.1 | -70.1 | -173.1 | 163.6 | 0 | 0 | 113.4 | Q27 Q28 H29 | Q27-E31 PolarHBondContact O-N 3.48Å; Q28-E31 PolarHBondContact O-N 3.34Å; H29-E31 PolarHBondContact O-N 2.93Å |
| 32 | L | 44.2 | Very low | 47 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -87.9 | -14.5 | -174 | -79.7 | 168.5 | 0 | 0 | 0 | 115.4 | H29 K34 | H29-L32 PolarHBondContact O-N 2.87Å; L32-K34 VanDerWaalsContact C-N 3.35Å; L32-K34 PolarHBondContact O-N 3.1Å |
| 33 | D | 40.6 | Very low | 46.1 | Very low | 110 Ų | 110 | 126 Ų | 126 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 15 | -179.1 | -138.3 | 2 | 0 | 0 | 0 | 113.9 | S35 K36 | D33-S35 VanDerWaalsContact C-N 3.26Å; D33-S35 PolarHBondContact O-N 3.05Å; D33-K36 IonicContact OD1-NZ 2.73Å |
| 34 | K | 48.3 | Very low | 45.1 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 0.1 | 178.1 | -70.4 | -177.8 | -178.9 | 173.1 | 0 | 114.5 | L32 | L32-K34 VanDerWaalsContact C-N 3.35Å; L32-K34 PolarHBondContact O-N 3.1Å |
| 35 | S | 42.3 | Very low | 44.1 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 4.6 | -176.9 | 66 | 0 | 0 | 0 | 0 | 115.3 | D33 S37 | D33-S35 VanDerWaalsContact C-N 3.26Å; D33-S35 PolarHBondContact O-N 3.05Å; S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.42Å |
| 36 | K | 38.4 | Very low | 43.3 | Very low | 148 Ų | 148 | 121.5 Ų | 121.5 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -77.6 | 90.2 | 169.7 | -78 | 177.3 | -175.5 | 157 | 0 | 110 | D33 Y38 | D33-K36 IonicContact OD1-NZ 2.73Å; K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 PolarHBondContact O-N 3.33Å |
| 37 | S | 36.6 | Very low | 42.7 | Very low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | trans | -30.6 | 112.3 | 164.5 | 177.1 | 0 | 0 | 0 | 0 | 112.9 | S35 H39 | S35-S37 VanDerWaalsContact C-N 3.33Å; S35-S37 PolarHBondContact O-N 3.42Å; S37-H39 PolarHBondContact O-N 3.31Å | ||
| 38 | Y | 38.2 | Very low | 42.4 | Very low | 219 Ų | 219 | 118.4 Ų | 118.4 | 86% | 0.859 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 39.4 | 173.3 | -85.4 | -87.8 | 0 | 0 | 0 | 112.3 | K36 | K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 PolarHBondContact O-N 3.33Å |
| 39 | H | 38.3 | Very low | 42 | Very low | 162 Ų | 162 | 117.7 Ų | 117.7 | 75% | 0.75 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -7.4 | -178.5 | -78.3 | -55.2 | 0 | 0 | 0 | 116.5 | S37 | S37-H39 PolarHBondContact O-N 3.31Š|
| 40 | D | 36.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 118.1 Ų | 118.1 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | trans | -129.3 | 40.7 | -177 | -70.6 | -39.3 | 0 | 0 | 0 | 114.5 | P42 | D40-P42 VanDerWaalsContact O-CD 3.27Å; D40-P42 WeakPolarHBondContact O-CD 3.44Å | ||
| 41 | A | 37.6 | Very low | 42.3 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | -91.8 | 107.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 42 | P | 37.7 | Very low | 42.7 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | trans | -60.5 | 141.2 | 175.6 | 23.7 | -31.5 | 0 | 0 | 0 | 109.8 | D40 V44 | D40-P42 VanDerWaalsContact O-CD 3.27Å; D40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 3.19Å | ||
| 43 | A | 41.5 | Very low | 43.1 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 88% | 0.884 | 66% | 0.663 | S | S | * | * | trans | -61.1 | 86.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S45 | A43-S45 PolarHBondContact O-N 3.49Š| ||
| 44 | V | 37.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | -68.4 | 115.6 | 172 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | P42 G46 | P42-V44 VanDerWaalsContact C-N 3.28Å; P42-V44 PolarHBondContact O-N 3.19Å; V44-G46 PolarHBondContact O-N 3.13Å | ||
| 45 | S | 40.8 | Very low | 43.9 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 58% | 0.58 | 65% | 0.654 | S | S | * | * | trans | -57.1 | 121.9 | -176.9 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | A43 I47 | A43-S45 PolarHBondContact O-N 3.49Å; S45-I47 PolarHBondContact O-N 3.45Å | ||
| 46 | G | 39 | Very low | 44.4 | Very low | 46 Ų | 46 | 114.8 Ų | 114.8 | 47% | 0.474 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | 15.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | V44 Q50 | V44-G46 PolarHBondContact O-N 3.13Å; G46-Q50 PolarHBondContact O-N 3.21Å |
| 47 | I | 45.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.6 | -35.3 | 176.5 | -56.9 | 176.6 | 0 | 0 | 0 | 110.7 | S45 | S45-I47 PolarHBondContact O-N 3.45Å |
| 48 | A | 48.5 | Very low | 45.1 | Very low | 62 Ų | 62 | 112.2 Ų | 112.2 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.4 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q50 Q51 Q52 | A48-Q50 VanDerWaalsContact C-N 3.31Å; A48-Q50 PolarHBondContact O-N 3.42Å; A48-Q51 PolarHBondContact O-N 2.96Å; A48-Q52 PolarHBondContact O-N 3.06Å |
| 49 | D | 49.1 | Very low | 45.6 | Very low | 101 Ų | 101 | 106.5 Ų | 106.5 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.5 | -32.9 | -178.4 | -69.2 | -27.3 | 0 | 0 | 0 | 112.6 | Q52 C53 | D49-Q52 PolarHBondContact O-N 3.19Å; D49-C53 PolarHBondContact O-N 3.37Å |
| 50 | Q | 49.9 | Very low | 46.1 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.1 | -34.9 | 179.3 | -162.2 | 148.8 | 21 | 0 | 0 | 112.6 | G46 A48 Q52 N54 | G46-Q50 PolarHBondContact O-N 3.21Å; A48-Q50 VanDerWaalsContact C-N 3.31Å; A48-Q50 PolarHBondContact O-N 3.42Å; Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q50-N54 PolarHBondContact O-N 2.95Å; Q50-N54 VanDerWaalsContact O-N 3.14Å; Q50-N54 PolarHBondContact O-ND2 3.26Å |
| 51 | Q | 51.9 | Low | 46.7 | Very low | 144 Ų | 144 | 107.6 Ų | 107.6 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | 172.2 | -71.4 | -170 | 1.9 | 0 | 0 | 111.9 | A48 N54 K55 | A48-Q51 PolarHBondContact O-N 2.96Å; Q51-N54 PolarHBondContact O-N 3.38Å; Q51-K55 PolarHBondContact O-N 3.34Å; Q51-K55 VanDerWaalsContact O-N 3.11Å |
| 52 | Q | 54.4 | Low | 47.3 | Very low | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -37.3 | 177.3 | -167 | 156.6 | -14.9 | 0 | 0 | 112.3 | A48 D49 Q50 K55 N56 | A48-Q52 PolarHBondContact O-N 3.06Å; D49-Q52 PolarHBondContact O-N 3.19Å; Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-K55 PolarHBondContact O-N 3.49Å; Q52-N56 WeakPolarHBondContact O-CB 3.37Å; Q52-N56 VanDerWaalsContact O-CG 3.27Å; Q52-N56 PolarHBondContact O-N 3.22Å; Q52-N56 PolarHBondContact O-ND2 3.39Å |
| 53 | C | 51.9 | Low | 48 | Very low | 81 Ų | 81 | 105.2 Ų | 105.2 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.5 | -45.8 | 171.9 | -81.5 | 0 | 0 | 0 | 0 | 112.4 | D49 K55 N56 Q57 | D49-C53 PolarHBondContact O-N 3.37Å; C53-K55 VanDerWaalsContact C-N 3.31Å; C53-K55 PolarHBondContact O-N 2.96Å; C53-N56 PolarHBondContact O-N 3.35Å; C53-Q57 PolarHBondContact O-N 2.9Å |
| 54 | N | 52.4 | Low | 48.1 | Very low | 98 Ų | 98 | 102.5 Ų | 102.5 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -37.9 | 178.7 | -72.9 | -17.9 | 0 | 0 | 0 | 112.1 | Q50 Q51 Q57 S58 | Q50-N54 PolarHBondContact O-N 2.95Å; Q50-N54 VanDerWaalsContact O-N 3.14Å; Q50-N54 PolarHBondContact O-ND2 3.26Å; Q51-N54 PolarHBondContact O-N 3.38Å; N54-Q57 PolarHBondContact O-N 3.47Å; N54-S58 PolarHBondContact O-N 3.18Å |
| 55 | K | 54.6 | Low | 48.4 | Very low | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -34.4 | 176.1 | -159.3 | 174.3 | -175.7 | 179.2 | 0 | 112.7 | Q51 Q52 C53 S58 N59 | Q51-K55 PolarHBondContact O-N 3.34Å; Q51-K55 VanDerWaalsContact O-N 3.11Å; Q52-K55 PolarHBondContact O-N 3.49Å; C53-K55 VanDerWaalsContact C-N 3.31Å; C53-K55 PolarHBondContact O-N 2.96Å; K55-S58 PolarHBondContact O-OG 3.21Å; K55-N59 PolarHBondContact O-N 2.87Å |
| 56 | N | 51.8 | Low | 48.3 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72 | -34.1 | 175.2 | -72.3 | -21.1 | 0 | 0 | 0 | 112.1 | Q52 C53 N59 R60 | Q52-N56 WeakPolarHBondContact O-CB 3.37Å; Q52-N56 VanDerWaalsContact O-CG 3.27Å; Q52-N56 PolarHBondContact O-N 3.22Å; Q52-N56 PolarHBondContact O-ND2 3.39Å; C53-N56 PolarHBondContact O-N 3.35Å; N56-N59 PolarHBondContact O-N 3.21Å; N56-R60 WeakPolarHBondContact O-CG 3.28Å; N56-R60 PolarHBondContact O-N 3.28Å |
| 57 | Q | 48.2 | Very low | 48.5 | Very low | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.8 | -37.2 | 177.5 | -152.2 | -177.8 | 27.4 | 0 | 0 | 112.2 | C53 N54 R60 K61 | C53-Q57 PolarHBondContact O-N 2.9Å; N54-Q57 PolarHBondContact O-N 3.47Å; Q57-R60 PolarHBondContact O-N 3.15Å; Q57-K61 PolarHBondContact O-N 3.25Å |
| 58 | S | 43 | Very low | 48.5 | Very low | 65 Ų | 65 | 105.8 Ų | 105.8 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.2 | -40.4 | 174.3 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | N54 K55 R60 K61 A62 | N54-S58 PolarHBondContact O-N 3.18Å; K55-S58 PolarHBondContact O-OG 3.21Å; S58-R60 PolarHBondContact O-N 3.4Å; S58-K61 PolarHBondContact O-N 3.49Å; S58-A62 PolarHBondContact O-N 3.11Å; S58-A62 VanDerWaalsContact O-N 3.15Å |
| 59 | N | 48.2 | Very low | 48.3 | Very low | 99 Ų | 99 | 112.6 Ų | 112.6 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64 | -37.3 | 174.4 | -74.8 | -14.1 | 0 | 0 | 0 | 112.8 | K55 N56 A62 S63 | K55-N59 PolarHBondContact O-N 2.87Å; N56-N59 PolarHBondContact O-N 3.21Å; N59-A62 PolarHBondContact O-N 3.15Å; N59-S63 WeakPolarHBondContact O-CB 3.49Å; N59-S63 PolarHBondContact O-N 2.83Å |
| 60 | R | 49 | Very low | 48 | Very low | 197 Ų | 197 | 114.5 Ų | 114.5 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -40.5 | 175.6 | -76.6 | -176.8 | -174.8 | -173.8 | 2.7 | 112.5 | N56 Q57 S58 S63 A64 | N56-R60 WeakPolarHBondContact O-CG 3.28Å; N56-R60 PolarHBondContact O-N 3.28Å; Q57-R60 PolarHBondContact O-N 3.15Å; S58-R60 PolarHBondContact O-N 3.4Å; R60-S63 PolarHBondContact O-N 3.38Å; R60-A64 PolarHBondContact O-N 3.46Å |
| 61 | K | 48.2 | Very low | 47.7 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 176.3 | -73 | -175.3 | 178.8 | -179.8 | 0 | 112.2 | Q57 S58 N65 | Q57-K61 PolarHBondContact O-N 3.25Å; S58-K61 PolarHBondContact O-N 3.49Å; K61-N65 PolarHBondContact O-N 3.48Å |
| 62 | A | 49.1 | Very low | 47.2 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S58 N59 N65 G66 | S58-A62 PolarHBondContact O-N 3.11Å; S58-A62 VanDerWaalsContact O-N 3.15Å; N59-A62 PolarHBondContact O-N 3.15Å; A62-N65 PolarHBondContact O-N 3.28Å; A62-G66 PolarHBondContact O-N 3.44Å; A62-G66 VanDerWaalsContact O-N 3.08Å |
| 63 | S | 53.1 | Low | 46.6 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 56% | 0.559 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.2 | -41.4 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | N59 R60 N65 G66 R67 | N59-S63 WeakPolarHBondContact O-CB 3.49Å; N59-S63 PolarHBondContact O-N 2.83Å; R60-S63 PolarHBondContact O-N 3.38Å; S63-N65 PolarHBondContact O-N 3.16Å; S63-G66 PolarHBondContact O-N 3.2Å; S63-R67 WeakPolarHBondContact O-CB 3.46Å; S63-R67 PolarHBondContact O-N 2.91Å |
| 64 | A | 44 | Very low | 46.1 | Very low | 49 Ų | 49 | 109.3 Ų | 109.3 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R60 G66 R67 I68 | R60-A64 PolarHBondContact O-N 3.46Å; A64-G66 VanDerWaalsContact C-N 3.35Å; A64-G66 PolarHBondContact O-N 2.97Å; A64-R67 PolarHBondContact O-N 3.1Å; A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.38Å; A64-I68 PolarHBondContact O-N 3.37Å |
| 65 | N | 43.3 | Very low | 45.6 | Very low | 115 Ų | 115 | 109.6 Ų | 109.6 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -34.6 | 176.4 | -73.7 | -14.6 | 0 | 0 | 0 | 112.6 | K61 A62 S63 R69 | K61-N65 PolarHBondContact O-N 3.48Å; A62-N65 PolarHBondContact O-N 3.28Å; S63-N65 PolarHBondContact O-N 3.16Å; N65-R69 PolarHBondContact O-N 3.01Å |
| 66 | G | 39.5 | Very low | 44.8 | Very low | 37 Ų | 37 | 109.9 Ų | 109.9 | 38% | 0.381 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -44.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A62 S63 A64 I68 R69 E70 | A62-G66 PolarHBondContact O-N 3.44Å; A62-G66 VanDerWaalsContact O-N 3.08Å; S63-G66 PolarHBondContact O-N 3.2Å; A64-G66 VanDerWaalsContact C-N 3.35Å; A64-G66 PolarHBondContact O-N 2.97Å; G66-I68 PolarHBondContact O-N 3.27Å; G66-R69 WeakPolarHBondContact O-CB 3.13Å; G66-R69 PolarHBondContact O-N 3.42Å; G66-R69 VanDerWaalsContact O-N 3.12Å; G66-E70 PolarHBondContact O-N 3.26Å; G66-E70 VanDerWaalsContact O-N 3.16Å |
| 67 | R | 43.6 | Very low | 44.5 | Very low | 176 Ų | 176 | 110.3 Ų | 110.3 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.1 | -33 | -178.7 | -155.5 | 173.5 | -171.1 | 170.4 | 0.6 | 113.1 | S63 A64 R69 R71 | S63-R67 WeakPolarHBondContact O-CB 3.46Å; S63-R67 PolarHBondContact O-N 2.91Å; A64-R67 PolarHBondContact O-N 3.1Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R71 PolarHBondContact O-N 3.03Å; R67-R71 VanDerWaalsContact O-N 3.1Å |
| 68 | I | 46 | Very low | 44.5 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 55% | 0.549 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -40.1 | 171.3 | -66.5 | 164 | 0 | 0 | 0 | 110.1 | A64 G66 E70 R71 S72 | A64-I68 VanDerWaalsContact O-CG1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.38Å; A64-I68 PolarHBondContact O-N 3.37Å; G66-I68 PolarHBondContact O-N 3.27Å; I68-E70 PolarHBondContact O-N 3.01Å; I68-R71 PolarHBondContact O-N 3.44Å; I68-S72 PolarHBondContact O-N 2.96Å; I68-S72 PolarHBondContact O-OG 3.23Å; I68-S72 VanDerWaalsContact O-OG 3.05Å |
| 69 | R | 42.9 | Very low | 44.4 | Very low | 204 Ų | 204 | 113.7 Ų | 113.7 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -41.3 | 178.7 | -153.6 | 176.1 | -172.5 | -176.3 | 1.3 | 112 | N65 G66 R67 S72 S73 | N65-R69 PolarHBondContact O-N 3.01Å; G66-R69 WeakPolarHBondContact O-CB 3.13Å; G66-R69 PolarHBondContact O-N 3.42Å; G66-R69 VanDerWaalsContact O-N 3.12Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R69-S72 WeakPolarHBondContact CA-OG 3.5Å; R69-S72 PolarHBondContact O-N 3.48Å; R69-S72 PolarHBondContact O-OG 3.48Å; R69-S73 PolarHBondContact O-N 3.25Å; R69-S73 PolarHBondContact O-OG 3.12Å |
| 70 | E | 43.9 | Very low | 44 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.3 | -37.9 | 174.4 | -71.9 | -177.1 | 172.9 | 0 | 0 | 113 | G66 I68 S72 S73 A74 | G66-E70 PolarHBondContact O-N 3.26Å; G66-E70 VanDerWaalsContact O-N 3.16Å; I68-E70 PolarHBondContact O-N 3.01Å; E70-S72 PolarHBondContact O-N 3.01Å; E70-S73 WeakPolarHBondContact CA-OG 3.38Å; E70-S73 PolarHBondContact O-N 3.08Å; E70-S73 PolarHBondContact O-OG 3.22Å; E70-A74 PolarHBondContact O-N 3.45Å; E70-A74 VanDerWaalsContact O-N 3.17Å |
| 71 | R | 42 | Very low | 43.9 | Very low | 175 Ų | 175 | 109.4 Ų | 109.4 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 175.1 | -80.1 | -176.8 | 163.8 | -173.5 | -4.3 | 112.3 | R67 I68 S73 A74 I75 | R67-R71 PolarHBondContact O-N 3.03Å; R67-R71 VanDerWaalsContact O-N 3.1Å; I68-R71 PolarHBondContact O-N 3.44Å; R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 3.05Å; R71-A74 PolarHBondContact O-N 3.05Å; R71-A74 VanDerWaalsContact O-N 3.16Å; R71-I75 WeakPolarHBondContact O-CG1 3.4Å; R71-I75 PolarHBondContact O-N 3.28Å |
| 72 | S | 42.7 | Very low | 43.8 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.5 | -28.4 | 175.9 | 33.8 | 0 | 0 | 0 | 0 | 113.8 | I68 R69 E70 K76 | I68-S72 PolarHBondContact O-N 2.96Å; I68-S72 PolarHBondContact O-OG 3.23Å; I68-S72 VanDerWaalsContact O-OG 3.05Å; R69-S72 WeakPolarHBondContact CA-OG 3.5Å; R69-S72 PolarHBondContact O-N 3.48Å; R69-S72 PolarHBondContact O-OG 3.48Å; E70-S72 PolarHBondContact O-N 3.01Å; S72-K76 PolarHBondContact O-N 2.98Å |
| 73 | S | 42 | Very low | 43.5 | Very low | 68 Ų | 68 | 108.5 Ų | 108.5 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.1 | -37.2 | 169.8 | 31.2 | 0 | 0 | 0 | 0 | 112.9 | R69 E70 R71 K76 V77 | R69-S73 PolarHBondContact O-N 3.25Å; R69-S73 PolarHBondContact O-OG 3.12Å; E70-S73 WeakPolarHBondContact CA-OG 3.38Å; E70-S73 PolarHBondContact O-N 3.08Å; E70-S73 PolarHBondContact O-OG 3.22Å; R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 3.05Å; S73-K76 PolarHBondContact O-N 3.4Å; S73-V77 PolarHBondContact O-N 2.97Å |
| 74 | A | 40.3 | Very low | 42.8 | Very low | 63 Ų | 63 | 106.2 Ų | 106.2 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -34.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E70 R71 K76 V77 K78 | E70-A74 PolarHBondContact O-N 3.45Å; E70-A74 VanDerWaalsContact O-N 3.17Å; R71-A74 PolarHBondContact O-N 3.05Å; R71-A74 VanDerWaalsContact O-N 3.16Å; A74-K76 VanDerWaalsContact C-N 3.33Å; A74-K76 PolarHBondContact O-N 3.47Å; A74-V77 WeakPolarHBondContact O-CB 3.45Å; A74-V77 PolarHBondContact O-N 3.44Å; A74-V77 VanDerWaalsContact O-N 3.14Å; A74-K78 PolarHBondContact O-N 3.05Å |
| 75 | I | 42 | Very low | 42.7 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 54% | 0.538 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -38.1 | 175.4 | -65.2 | 165.3 | 0 | 0 | 0 | 110.9 | R71 V77 K78 D79 | R71-I75 WeakPolarHBondContact O-CG1 3.4Å; R71-I75 PolarHBondContact O-N 3.28Å; I75-V77 PolarHBondContact O-N 2.96Å; I75-K78 WeakPolarHBondContact O-CB 3.5Å; I75-K78 PolarHBondContact O-N 3.34Å; I75-D79 PolarHBondContact O-N 3.48Å; I75-D79 VanDerWaalsContact O-N 3.08Å |
| 76 | K | 37.4 | Very low | 43.1 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.4 | -31.5 | 172.8 | -89.5 | -173.2 | 174.9 | -176.1 | 0 | 113.5 | S72 S73 A74 N80 | S72-K76 PolarHBondContact O-N 2.98Å; S73-K76 PolarHBondContact O-N 3.4Å; A74-K76 VanDerWaalsContact C-N 3.33Å; A74-K76 PolarHBondContact O-N 3.47Å; K76-N80 WeakPolarHBondContact O-CB 3.48Å; K76-N80 PolarHBondContact O-N 3.33Å |
| 77 | V | 45.8 | Very low | 43.5 | Very low | 91 Ų | 91 | 112.5 Ų | 112.5 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.5 | -37.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | S73 A74 I75 N80 V81 | S73-V77 PolarHBondContact O-N 2.97Å; A74-V77 WeakPolarHBondContact O-CB 3.45Å; A74-V77 PolarHBondContact O-N 3.44Å; A74-V77 VanDerWaalsContact O-N 3.14Å; I75-V77 PolarHBondContact O-N 2.96Å; V77-N80 PolarHBondContact O-N 2.87Å; V77-V81 HydrophobicContact CG1-CG2 4.22Å; V77-V81 WeakPolarHBondContact O-CB 3.35Å; V77-V81 VanDerWaalsContact O-CG2 3.23Å; V77-V81 WeakPolarHBondContact O-CG2 3.48Å; V77-V81 PolarHBondContact O-N 2.9Å |
| 78 | K | 48 | Very low | 44.4 | Very low | 165 Ų | 165 | 109.4 Ų | 109.4 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -41.4 | 176.4 | -162.6 | 175 | -179.2 | 179.2 | 0 | 112 | A74 I75 V81 A82 | A74-K78 PolarHBondContact O-N 3.05Å; I75-K78 WeakPolarHBondContact O-CB 3.5Å; I75-K78 PolarHBondContact O-N 3.34Å; K78-V81 PolarHBondContact O-N 2.98Å; K78-A82 PolarHBondContact O-N 3.33Å |
| 79 | D | 41.7 | Very low | 45.1 | Very low | 91 Ų | 91 | 110.4 Ų | 110.4 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.2 | -35.6 | 176.4 | -67.2 | -21 | 0 | 0 | 0 | 112.1 | I75 N83 | I75-D79 PolarHBondContact O-N 3.48Å; I75-D79 VanDerWaalsContact O-N 3.08Å; D79-N83 WeakPolarHBondContact O-CB 3.41Å; D79-N83 PolarHBondContact O-N 3.19Å; D79-N83 VanDerWaalsContact O-N 3.07Å |
| 80 | N | 40.4 | Very low | 46 | Very low | 116 Ų | 116 | 101.8 Ų | 101.8 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.1 | -26.1 | 174.1 | -77.4 | -7.5 | 0 | 0 | 0 | 113.3 | K76 V77 G84 | K76-N80 WeakPolarHBondContact O-CB 3.48Å; K76-N80 PolarHBondContact O-N 3.33Å; V77-N80 PolarHBondContact O-N 2.87Å; N80-G84 WeakPolarHBondContact O-CA 3.22Å; N80-G84 PolarHBondContact O-N 3.1Å |
| 81 | V | 45.1 | Very low | 46.6 | Very low | 89 Ų | 89 | 100.8 Ų | 100.8 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.5 | -36.4 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | V77 K78 | V77-V81 HydrophobicContact CG1-CG2 4.22Å; V77-V81 WeakPolarHBondContact O-CB 3.35Å; V77-V81 VanDerWaalsContact O-CG2 3.23Å; V77-V81 WeakPolarHBondContact O-CG2 3.48Å; V77-V81 PolarHBondContact O-N 2.9Å; K78-V81 PolarHBondContact O-N 2.98Å |
| 82 | A | 46.5 | Very low | 47.5 | Very low | 76 Ų | 76 | 96 Ų | 96 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.7 | -36.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K78 | K78-A82 PolarHBondContact O-N 3.33Å |
| 83 | N | 42.9 | Very low | 48.5 | Very low | 115 Ų | 115 | 99.4 Ų | 99.4 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -97.2 | -15.3 | 179.2 | -69.3 | -27.8 | 0 | 0 | 0 | 114.3 | D79 Y85 A86 | D79-N83 WeakPolarHBondContact O-CB 3.41Å; D79-N83 PolarHBondContact O-N 3.19Å; D79-N83 VanDerWaalsContact O-N 3.07Å; N83-Y85 PolarHBondContact O-N 3.38Å; N83-A86 WeakPolarHBondContact O-CB 3.41Å; N83-A86 PolarHBondContact O-N 3.42Å |
| 84 | G | 38.3 | Very low | 49 | Very low | 31 Ų | 31 | 98.8 Ų | 98.8 | 32% | 0.32 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N80 S90 | N80-G84 WeakPolarHBondContact O-CA 3.22Å; N80-G84 PolarHBondContact O-N 3.1Å; G84-S90 WeakPolarHBondContact O-CB 3.46Å; G84-S90 PolarHBondContact O-OG 3.5Å |
| 85 | Y | 42.6 | Very low | 49.7 | Very low | 169 Ų | 169 | 97.7 Ų | 97.7 | 66% | 0.663 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.6 | 163.1 | -78 | -80.5 | 0 | 0 | 0 | 112.6 | N83 | N83-Y85 PolarHBondContact O-N 3.38Š|
| 86 | A | 52.4 | Low | 50.3 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 67% | 0.669 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -84.5 | -12.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N83 | N83-A86 WeakPolarHBondContact O-CB 3.41Å; N83-A86 PolarHBondContact O-N 3.42Å |
| 87 | T | 47.3 | Very low | 51 | Low | 84 Ų | 84 | 102.9 Ų | 102.9 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -120.1 | 132.6 | -178.6 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | N89 S90 R91 | T87-N89 PolarHBondContact O-N 3.09Å; T87-S90 PolarHBondContact O-N 3.44Å; T87-S90 PolarHBondContact O-OG 3.25Å; T87-S90 PolarHBondContact OG1-OG 3.36Å; T87-R91 PolarHBondContact O-N 3.47Å |
| 88 | E | 62.3 | Low | 51.4 | Low | 111 Ų | 111 | 105.8 Ų | 105.8 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -50.3 | -33.6 | -179.5 | -172.6 | 62 | -157.1 | 0 | 0 | 112.9 | R91 Q92 | E88-R91 PolarHBondContact O-N 3.19Å; E88-Q92 WeakPolarHBondContact O-CG 3.41Å; E88-Q92 PolarHBondContact O-N 3.49Å |
| 89 | N | 61.5 | Low | 50.8 | Low | 127 Ų | 127 | 100.7 Ų | 100.7 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 176.5 | -71.5 | -9.9 | 0 | 0 | 0 | 112.8 | T87 R91 Q92 E93 | T87-N89 PolarHBondContact O-N 3.09Å; N89-R91 VanDerWaalsContact C-N 3.3Å; N89-R91 PolarHBondContact O-N 3.01Å; N89-Q92 PolarHBondContact O-N 2.97Å; N89-E93 PolarHBondContact O-N 3.16Å |
| 90 | S | 60.8 | Low | 50.8 | Low | 23 Ų | 23 | 104.6 Ų | 104.6 | 16% | 0.161 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | G84 T87 E93 V94 | G84-S90 WeakPolarHBondContact O-CB 3.46Å; G84-S90 PolarHBondContact O-OG 3.5Å; T87-S90 PolarHBondContact O-N 3.44Å; T87-S90 PolarHBondContact O-OG 3.25Å; T87-S90 PolarHBondContact OG1-OG 3.36Å; S90-E93 PolarHBondContact O-N 2.73Å; S90-V94 WeakPolarHBondContact O-CG2 3.23Å; S90-V94 PolarHBondContact O-N 3.02Å; S90-V94 VanDerWaalsContact O-N 3.09Å |
| 91 | R | 57.4 | Low | 50.8 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 46% | 0.457 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 173.9 | -171.7 | -170.4 | 142 | 158.9 | -2.6 | 111.5 | T87 E88 N89 E93 V94 E95 | T87-R91 PolarHBondContact O-N 3.47Å; E88-R91 PolarHBondContact O-N 3.19Å; N89-R91 VanDerWaalsContact C-N 3.3Å; N89-R91 PolarHBondContact O-N 3.01Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 3.38Å; R91-V94 PolarHBondContact O-N 3.49Å; R91-E95 IonicContact CZ-OE1 3.19Å; R91-E95 IonicContact NE-OE1 2.77Å; R91-E95 PolarHBondContact NE-OE1 3.49Å; R91-E95 IonicContact NH2-OE1 2.77Å; R91-E95 PolarHBondContact NH2-OE1 3.42Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.38Å; R91-E95 PolarHBondContact O-N 3.26Å |
| 92 | Q | 60.7 | Low | 50.4 | Low | 75 Ų | 75 | 107 Ų | 107 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -33.5 | 177.3 | -72.2 | -179.8 | 17.7 | 0 | 0 | 112.8 | E88 N89 E95 R96 | E88-Q92 WeakPolarHBondContact O-CG 3.41Å; E88-Q92 PolarHBondContact O-N 3.49Å; N89-Q92 PolarHBondContact O-N 2.97Å; Q92-E95 PolarHBondContact O-N 3.4Å; Q92-R96 WeakPolarHBondContact O-CB 3.47Å; Q92-R96 VanDerWaalsContact O-CG 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.38Å; Q92-R96 PolarHBondContact O-N 3.03Å |
| 93 | E | 62.7 | Low | 50 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -43.8 | 176.1 | -167.8 | 166.6 | -164.4 | 0 | 0 | 111.2 | N89 S90 R91 R96 H97 | N89-E93 PolarHBondContact O-N 3.16Å; S90-E93 PolarHBondContact O-N 2.73Å; R91-E93 VanDerWaalsContact C-N 3.32Å; R91-E93 PolarHBondContact O-N 3.38Å; E93-R96 PolarHBondContact O-N 3.1Å; E93-H97 WeakPolarHBondContact O-CB 3.48Å; E93-H97 PolarHBondContact O-N 3.37Å |
| 94 | V | 53.8 | Low | 49.5 | Very low | 56 Ų | 56 | 114.1 Ų | 114.1 | 34% | 0.339 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -47.4 | 172.2 | 172.6 | 0 | 0 | 0 | 0 | 111 | S90 R91 R96 H97 F98 | S90-V94 WeakPolarHBondContact O-CG2 3.23Å; S90-V94 PolarHBondContact O-N 3.02Å; S90-V94 VanDerWaalsContact O-N 3.09Å; R91-V94 PolarHBondContact O-N 3.49Å; V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 PolarHBondContact O-N 3.17Å; V94-H97 WeakPolarHBondContact O-CB 3.46Å; V94-H97 PolarHBondContact O-N 2.69Å; V94-F98 HydrophobicContact CG1-CD2 3.53Å; V94-F98 HydrophobicContact CG1-CE2 3.69Å; V94-F98 VanDerWaalsContact O-CD2 3.24Å; V94-F98 WeakPolarHBondContact O-CD2 3.42Å; V94-F98 PolarHBondContact O-N 3.16Å |
| 95 | E | 54.8 | Low | 49.2 | Very low | 39 Ų | 39 | 124.4 Ų | 124.4 | 18% | 0.182 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -61 | -37.4 | 178.1 | -76.5 | 179.1 | -176.2 | 0 | 0 | 112.8 | R91 Q92 G99 Y100 | R91-E95 IonicContact CZ-OE1 3.19Å; R91-E95 IonicContact NE-OE1 2.77Å; R91-E95 PolarHBondContact NE-OE1 3.49Å; R91-E95 IonicContact NH2-OE1 2.77Å; R91-E95 PolarHBondContact NH2-OE1 3.42Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.38Å; R91-E95 PolarHBondContact O-N 3.26Å; Q92-E95 PolarHBondContact O-N 3.4Å; E95-G99 PolarHBondContact O-N 2.81Å; E95-G99 VanDerWaalsContact O-N 3.15Å; E95-Y100 PolarHBondContact O-N 3.38Å |
| 96 | R | 54.7 | Low | 48.9 | Very low | 204 Ų | 204 | 127.4 Ų | 127.4 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -41.8 | 171 | -76.5 | -177.8 | -158.3 | -171.8 | 8.3 | 111.6 | Q92 E93 V94 F98 G99 | Q92-R96 WeakPolarHBondContact O-CB 3.47Å; Q92-R96 VanDerWaalsContact O-CG 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.38Å; Q92-R96 PolarHBondContact O-N 3.03Å; E93-R96 PolarHBondContact O-N 3.1Å; V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 PolarHBondContact O-N 3.17Å; R96-F98 VanDerWaalsContact C-N 3.35Å; R96-G99 PolarHBondContact O-N 3.38Å |
| 97 | H | 50.5 | Low | 48.1 | Very low | 162 Ų | 162 | 131 Ų | 131 | 75% | 0.75 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.5 | -35.9 | -179.3 | -126.4 | -53.4 | 0 | 0 | 0 | 112.9 | E93 V94 | E93-H97 WeakPolarHBondContact O-CB 3.48Å; E93-H97 PolarHBondContact O-N 3.37Å; V94-H97 WeakPolarHBondContact O-CB 3.46Å; V94-H97 PolarHBondContact O-N 2.69Å |
| 98 | F | 54.6 | Low | 47.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 67% | 0.667 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 3 | 178.3 | -74.2 | -75.5 | 0 | 0 | 0 | 113.9 | V94 R96 Y100 | V94-F98 HydrophobicContact CG1-CD2 3.53Å; V94-F98 HydrophobicContact CG1-CE2 3.69Å; V94-F98 VanDerWaalsContact O-CD2 3.24Å; V94-F98 WeakPolarHBondContact O-CD2 3.42Å; V94-F98 PolarHBondContact O-N 3.16Å; R96-F98 VanDerWaalsContact C-N 3.35Å; F98-Y100 VanDerWaalsContact C-N 3.26Å; F98-Y100 HydrophobicContact CB-CD2 3.83Å; F98-Y100 HydrophobicContact CB-CE2 3.87Å; F98-Y100 PolarHBondContact O-N 3.23Å |
| 99 | G | 36.5 | Very low | 46.4 | Very low | 58 Ų | 58 | 132.1 Ų | 132.1 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 21.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E95 R96 S101 | E95-G99 PolarHBondContact O-N 2.81Å; E95-G99 VanDerWaalsContact O-N 3.15Å; R96-G99 PolarHBondContact O-N 3.38Å; G99-S101 PolarHBondContact O-N 2.95Å |
| 100 | Y | 41.6 | Very low | 45.3 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | trans | -71.2 | 74.5 | 168 | -70.1 | -70.6 | 0 | 0 | 0 | 108.6 | E95 F98 Q102 | E95-Y100 PolarHBondContact O-N 3.38Å; F98-Y100 VanDerWaalsContact C-N 3.26Å; F98-Y100 HydrophobicContact CB-CD2 3.83Å; F98-Y100 HydrophobicContact CB-CE2 3.87Å; F98-Y100 PolarHBondContact O-N 3.23Å; Y100-Q102 PolarHBondContact O-N 3.24Å; Y100-Q102 VanDerWaalsContact O-N 3.1Å | ||
| 101 | S | 40.2 | Very low | 44.3 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | trans | -63 | 116.4 | 167 | 94.4 | 0 | 0 | 0 | 0 | 105.9 | G99 S103 | G99-S101 PolarHBondContact O-N 2.95Å; S101-S103 PolarHBondContact O-N 3.07Å | ||
| 102 | Q | 36.4 | Very low | 43.5 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | trans | -63.5 | 87.6 | 162.1 | -69.4 | -164.9 | 9.2 | 0 | 0 | 106.5 | Y100 R104 | Y100-Q102 PolarHBondContact O-N 3.24Å; Y100-Q102 VanDerWaalsContact O-N 3.1Å; Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.34Å | ||
| 103 | S | 38.8 | Very low | 42.5 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -65 | 100.5 | 176.9 | 65.3 | 0 | 0 | 0 | 0 | 106.7 | S101 R105 | S101-S103 PolarHBondContact O-N 3.07Å; S103-R105 PolarHBondContact O-N 3.44Å | ||
| 104 | R | 32.5 | Very low | 41.5 | Very low | 238 Ų | 238 | 142.7 Ų | 142.7 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | trans | -52.9 | 108.5 | 172.4 | -90.8 | -179.3 | 168.3 | -177 | -2.8 | 108.4 | Q102 R106 | Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.34Å; R104-R106 PolarHBondContact O-N 3.45Å; R104-R106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | R | 32.1 | Very low | 40.6 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | trans | 14.5 | 85.8 | 149.9 | -65.8 | -172.4 | 174.5 | -172 | -1.2 | 114.3 | S103 | S103-R105 PolarHBondContact O-N 3.44Š| ||
| 106 | R | 35.3 | Very low | 39.9 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | -139.2 | 103.9 | 148.8 | -86.2 | -167.2 | 176.1 | -179.1 | -1.3 | 109.2 | R104 | R104-R106 PolarHBondContact O-N 3.45Å; R104-R106 VanDerWaalsContact O-N 3.1Å | ||
| 107 | N | 36.4 | Very low | 39.1 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 58.4 | 98.3 | 153.1 | -59.7 | -5.5 | 0 | 0 | 0 | 117.4 | ||
| 108 | G | 37.1 | Very low | 38.7 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | 95.3 | 5.7 | 125.1 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 109 | V | 36.4 | Very low | 38.1 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | -96.7 | 110.7 | 170.1 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | E111 | V109-E111 PolarHBondContact O-N 3.31Š| ||
| 110 | K | 38 | Very low | 38.4 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -52.8 | 123.2 | 173.8 | -70 | -180 | 177.3 | 179.8 | 0 | 108.4 | T112 | K110-T112 PolarHBondContact O-N 3.06Š| ||
| 111 | E | 40.4 | Very low | 38.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | -50.7 | 106 | 171.7 | -67.2 | 172.2 | 170.4 | 0 | 0 | 109 | V109 T113 | V109-E111 PolarHBondContact O-N 3.31Å; E111-T113 HydrophobicContact CB-CG2 4.37Å; E111-T113 PolarHBondContact O-N 3.19Å | ||
| 112 | T | 39.5 | Very low | 39.3 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -69.6 | 76.9 | 151.4 | 36.3 | 0 | 0 | 0 | 0 | 106.3 | K110 A114 | K110-T112 PolarHBondContact O-N 3.06Å; T112-A114 PolarHBondContact O-N 3.47Å | ||
| 113 | T | 39.1 | Very low | 39.9 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | trans | -55 | 112.4 | 158.6 | 30 | 0 | 0 | 0 | 0 | 105.6 | E111 S115 | E111-T113 HydrophobicContact CB-CG2 4.37Å; E111-T113 PolarHBondContact O-N 3.19Å; T113-S115 PolarHBondContact O-N 3.29Å | ||
| 114 | A | 41.6 | Very low | 40.5 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -50.7 | 116.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | T112 | T112-A114 PolarHBondContact O-N 3.47Š| ||
| 115 | S | 35.4 | Very low | 41.5 | Very low | 67 Ų | 67 | 131 Ų | 131 | 47% | 0.469 | 69% | 0.693 | S | S | . | * | trans | -47.7 | 129 | -174.9 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | T113 S117 F118 | T113-S115 PolarHBondContact O-N 3.29Å; S115-S117 PolarHBondContact O-N 2.95Å; S115-S117 PolarHBondContact OG-OG 3.47Å; S115-F118 PolarHBondContact O-N 2.9Å | ||
| 116 | P | 41.3 | Very low | 42.8 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -50.6 | -24.8 | -178.4 | -18.8 | 18.8 | 0 | 0 | 0 | 113.7 | F118 S119 L120 | P116-F118 VanDerWaalsContact C-N 3.31Å; P116-F118 PolarHBondContact O-N 3.23Å; P116-S119 PolarHBondContact O-N 3.06Å; P116-L120 PolarHBondContact O-N 3.48Å |
| 117 | S | 37.4 | Very low | 43.8 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.8 | -30.1 | 175.4 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | S115 R121 | S115-S117 PolarHBondContact O-N 2.95Å; S115-S117 PolarHBondContact OG-OG 3.47Å; S117-R121 PolarHBondContact O-N 3.05Å |
| 118 | F | 41 | Very low | 45.2 | Very low | 165 Ų | 165 | 115.1 Ų | 115.1 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76 | -36.6 | 178.1 | -153.4 | -92.1 | 0 | 0 | 0 | 111.5 | S115 P116 R121 A122 | S115-F118 PolarHBondContact O-N 2.9Å; P116-F118 VanDerWaalsContact C-N 3.31Å; P116-F118 PolarHBondContact O-N 3.23Å; F118-R121 PolarHBondContact O-N 2.95Å; F118-A122 PolarHBondContact O-N 3.41Å |
| 119 | S | 43.4 | Very low | 46.4 | Very low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | P116 R121 A122 N123 | P116-S119 PolarHBondContact O-N 3.06Å; S119-R121 VanDerWaalsContact C-N 3.33Å; S119-R121 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact O-N 3.25Å; S119-N123 PolarHBondContact O-N 3.46Å |
| 120 | L | 41.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -33 | 175.7 | -76.2 | 164.3 | 0 | 0 | 0 | 113.2 | P116 R124 | P116-L120 PolarHBondContact O-N 3.48Å; L120-R124 PolarHBondContact O-N 2.71Å |
| 121 | R | 49.6 | Very low | 49.3 | Very low | 195 Ų | 195 | 109.9 Ų | 109.9 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.6 | -37.3 | -179.3 | -154.1 | 176.9 | -169.8 | 177.2 | 2.9 | 112.1 | S117 F118 S119 R124 V125 | S117-R121 PolarHBondContact O-N 3.05Å; F118-R121 PolarHBondContact O-N 2.95Å; S119-R121 VanDerWaalsContact C-N 3.33Å; S119-R121 PolarHBondContact O-N 3.41Å; R121-R124 PolarHBondContact O-N 3.08Å; R121-V125 WeakPolarHBondContact O-CG2 3.07Å; R121-V125 PolarHBondContact O-N 3.08Å |
| 122 | A | 51.2 | Low | 50.8 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | F118 S119 R124 V125 V126 | F118-A122 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact O-N 3.25Å; A122-R124 PolarHBondContact O-N 3.31Å; A122-V125 PolarHBondContact O-N 3.3Å; A122-V126 WeakPolarHBondContact O-CG2 3.44Å; A122-V126 PolarHBondContact O-N 3Å |
| 123 | N | 48.7 | Very low | 52.2 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 47% | 0.465 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -41.2 | 177.8 | -72.7 | -13.1 | 0 | 0 | 0 | 112.4 | S119 V125 V126 E127 | S119-N123 PolarHBondContact O-N 3.46Å; N123-V125 PolarHBondContact O-N 3.04Å; N123-V126 PolarHBondContact O-N 3.13Å; N123-E127 WeakPolarHBondContact O-CG 3.42Å; N123-E127 PolarHBondContact O-N 3.28Å |
| 124 | R | 51.6 | Low | 54.1 | Low | 175 Ų | 175 | 104.9 Ų | 104.9 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -41.2 | 176.6 | -75.7 | -174.1 | -178.1 | 179.9 | 0.2 | 113.4 | L120 R121 A122 V126 E127 D128 | L120-R124 PolarHBondContact O-N 2.71Å; R121-R124 PolarHBondContact O-N 3.08Å; A122-R124 PolarHBondContact O-N 3.31Å; R124-V126 VanDerWaalsContact C-N 3.28Å; R124-V126 PolarHBondContact O-N 3.07Å; R124-E127 PolarHBondContact O-N 3.02Å; R124-D128 WeakPolarHBondContact O-CB 3.32Å; R124-D128 VanDerWaalsContact O-CG 3.24Å; R124-D128 PolarHBondContact O-N 2.86Å |
| 125 | V | 54.8 | Low | 55.5 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | R121 A122 N123 S129 | R121-V125 WeakPolarHBondContact O-CG2 3.07Å; R121-V125 PolarHBondContact O-N 3.08Å; A122-V125 PolarHBondContact O-N 3.3Å; N123-V125 PolarHBondContact O-N 3.04Å; V125-S129 WeakPolarHBondContact O-CB 3.47Å; V125-S129 PolarHBondContact O-N 3.14Å; V125-S129 VanDerWaalsContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 3.43Å |
| 126 | V | 58.3 | Low | 57.1 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | A122 N123 R124 S129 F130 | A122-V126 WeakPolarHBondContact O-CG2 3.44Å; A122-V126 PolarHBondContact O-N 3Å; N123-V126 PolarHBondContact O-N 3.13Å; R124-V126 VanDerWaalsContact C-N 3.28Å; R124-V126 PolarHBondContact O-N 3.07Å; V126-S129 PolarHBondContact O-N 3.47Å; V126-F130 HydrophobicContact CG1-CD2 3.63Å; V126-F130 HydrophobicContact CG1-CE2 3.38Å; V126-F130 WeakPolarHBondContact O-CD2 3.13Å; V126-F130 PolarHBondContact O-N 3.15Å |
| 127 | E | 56.8 | Low | 58.6 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 175.7 | -74.5 | 175.6 | 178.4 | 0 | 0 | 112.2 | N123 R124 S129 F130 N131 | N123-E127 WeakPolarHBondContact O-CG 3.42Å; N123-E127 PolarHBondContact O-N 3.28Å; R124-E127 PolarHBondContact O-N 3.02Å; E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.01Å; E127-F130 PolarHBondContact O-N 3.05Å; E127-N131 WeakPolarHBondContact O-CB 3.39Å; E127-N131 VanDerWaalsContact O-CG 3.24Å; E127-N131 PolarHBondContact O-N 3.25Å; E127-N131 PolarHBondContact O-ND2 2.93Å |
| 128 | D | 64.7 | Low | 60.3 | Low | 106 Ų | 106 | 106 Ų | 106 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -38.5 | 177.7 | -71 | -19.2 | 0 | 0 | 0 | 111.7 | R124 N131 Y132 | R124-D128 WeakPolarHBondContact O-CB 3.32Å; R124-D128 VanDerWaalsContact O-CG 3.24Å; R124-D128 PolarHBondContact O-N 2.86Å; D128-N131 PolarHBondContact O-N 3.33Å; D128-Y132 WeakPolarHBondContact O-CB 3.26Å; D128-Y132 PolarHBondContact O-N 3.27Å |
| 129 | S | 63.7 | Low | 61.9 | Low | 63 Ų | 63 | 102.6 Ų | 102.6 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 177.1 | -57.2 | 0 | 0 | 0 | 0 | 112 | V125 V126 E127 L133 | V125-S129 WeakPolarHBondContact O-CB 3.47Å; V125-S129 PolarHBondContact O-N 3.14Å; V125-S129 VanDerWaalsContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 3.43Å; V126-S129 PolarHBondContact O-N 3.47Å; E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.01Å; S129-L133 WeakPolarHBondContact O-CG 3.49Å; S129-L133 PolarHBondContact O-N 3.03Å; S129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | F | 66.7 | Low | 62.9 | Low | 137 Ų | 137 | 105.2 Ų | 105.2 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.5 | -38.9 | 175.3 | -80.3 | -63.3 | 0 | 0 | 0 | 112.2 | V126 E127 Y132 L133 D134 | V126-F130 HydrophobicContact CG1-CD2 3.63Å; V126-F130 HydrophobicContact CG1-CE2 3.38Å; V126-F130 WeakPolarHBondContact O-CD2 3.13Å; V126-F130 PolarHBondContact O-N 3.15Å; E127-F130 PolarHBondContact O-N 3.05Å; F130-Y132 VanDerWaalsContact C-N 3.35Å; F130-L133 PolarHBondContact O-N 3.47Å; F130-D134 WeakPolarHBondContact O-CB 3.49Å; F130-D134 PolarHBondContact O-N 3.3Å |
| 131 | N | 67.3 | Low | 64.2 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 176 | -70 | -28.1 | 0 | 0 | 0 | 111.9 | E127 D128 D134 A135 | E127-N131 WeakPolarHBondContact O-CB 3.39Å; E127-N131 VanDerWaalsContact O-CG 3.24Å; E127-N131 PolarHBondContact O-N 3.25Å; E127-N131 PolarHBondContact O-ND2 2.93Å; D128-N131 PolarHBondContact O-N 3.33Å; N131-D134 PolarHBondContact O-N 3.15Å; N131-A135 WeakPolarHBondContact O-CB 3.17Å; N131-A135 PolarHBondContact O-N 3.44Å |
| 132 | Y | 72.8 | Confident | 65.3 | Low | 145 Ų | 145 | 100.9 Ų | 100.9 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 175.3 | -176.5 | -94.6 | 0 | 0 | 0 | 111.9 | D128 F130 D134 A135 E136 | D128-Y132 WeakPolarHBondContact O-CB 3.26Å; D128-Y132 PolarHBondContact O-N 3.27Å; F130-Y132 VanDerWaalsContact C-N 3.35Å; Y132-D134 PolarHBondContact O-N 3.08Å; Y132-A135 PolarHBondContact O-N 3.41Å; Y132-E136 HydrophobicContact CD1-CG 4.3Å; Y132-E136 HydrophobicContact CE1-CG 3.77Å; Y132-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y132-E136 PolarHBondContact O-N 2.87Å; Y132-E136 PolarHBondContact OH-OE1 2.94Å |
| 133 | L | 68.2 | Low | 66.1 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.1 | -74.4 | 169 | 0 | 0 | 0 | 112.4 | S129 F130 A135 E136 L137 | S129-L133 WeakPolarHBondContact O-CG 3.49Å; S129-L133 PolarHBondContact O-N 3.03Å; S129-L133 VanDerWaalsContact O-N 3.08Å; F130-L133 PolarHBondContact O-N 3.47Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-E136 PolarHBondContact O-N 2.58Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.03Å; L133-L137 PolarHBondContact O-N 2.91Å |
| 134 | D | 79 | Confident | 66.8 | Low | 79 Ų | 79 | 105.2 Ų | 105.2 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 175.6 | -168.7 | 60 | 0 | 0 | 0 | 111.9 | F130 N131 Y132 K138 | F130-D134 WeakPolarHBondContact O-CB 3.49Å; F130-D134 PolarHBondContact O-N 3.3Å; N131-D134 PolarHBondContact O-N 3.15Å; Y132-D134 PolarHBondContact O-N 3.08Å; D134-K138 WeakPolarHBondContact O-CG 3.34Å; D134-K138 PolarHBondContact O-N 3.23Å; D134-K138 WeakPolarHBondContact OD2-CE 3.42Å; D134-K138 IonicContact OD2-NZ 2.73Å; D134-K138 PolarHBondContact OD2-NZ 3.3Å |
| 135 | A | 72 | Confident | 67.3 | Low | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N131 Y132 L133 K138 H139 | N131-A135 WeakPolarHBondContact O-CB 3.17Å; N131-A135 PolarHBondContact O-N 3.44Å; Y132-A135 PolarHBondContact O-N 3.41Å; L133-A135 VanDerWaalsContact C-N 3.34Å; A135-K138 PolarHBondContact O-N 3.43Å; A135-H139 PolarHBondContact O-N 2.98Å; A135-H139 VanDerWaalsContact O-N 3.09Å |
| 136 | E | 69.3 | Low | 67.7 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.8 | -77.3 | -165.6 | 157 | 0 | 0 | 111.5 | Y132 L133 K138 H139 F140 | Y132-E136 HydrophobicContact CD1-CG 4.3Å; Y132-E136 HydrophobicContact CE1-CG 3.77Å; Y132-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y132-E136 PolarHBondContact O-N 2.87Å; Y132-E136 PolarHBondContact OH-OE1 2.94Å; L133-E136 PolarHBondContact O-N 2.58Å; E136-K138 PolarHBondContact O-N 3.01Å; E136-H139 PolarHBondContact O-N 3.08Å; E136-F140 WeakPolarHBondContact O-CD2 3.47Å; E136-F140 PolarHBondContact O-N 2.96Å |
| 137 | L | 71.2 | Confident | 67.6 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 178 | -74.1 | 170.5 | 0 | 0 | 0 | 112.3 | L133 H139 F140 D141 | L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.03Å; L133-L137 PolarHBondContact O-N 2.91Å; L137-H139 VanDerWaalsContact C-N 3.33Å; L137-H139 PolarHBondContact O-N 3.39Å; L137-F140 PolarHBondContact O-N 3.12Å; L137-D141 PolarHBondContact O-N 3.45Å |
| 138 | K | 74.7 | Confident | 67.5 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 174.1 | -80.4 | 171.8 | 176.8 | 149.9 | 0 | 112.5 | D134 A135 E136 F140 D141 E142 | D134-K138 WeakPolarHBondContact O-CG 3.34Å; D134-K138 PolarHBondContact O-N 3.23Å; D134-K138 WeakPolarHBondContact OD2-CE 3.42Å; D134-K138 IonicContact OD2-NZ 2.73Å; D134-K138 PolarHBondContact OD2-NZ 3.3Å; A135-K138 PolarHBondContact O-N 3.43Å; E136-K138 PolarHBondContact O-N 3.01Å; K138-F140 VanDerWaalsContact C-N 3.31Å; K138-F140 PolarHBondContact O-N 3.38Å; K138-D141 PolarHBondContact O-N 3.49Å; K138-E142 WeakPolarHBondContact O-CG 3.33Å; K138-E142 PolarHBondContact O-N 2.96Å |
| 139 | H | 73.7 | Confident | 67.2 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 43% | 0.431 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -31.4 | 177.2 | 176.8 | -98.4 | 0 | 0 | 0 | 112.5 | A135 E136 L137 K143 | A135-H139 PolarHBondContact O-N 2.98Å; A135-H139 VanDerWaalsContact O-N 3.09Å; E136-H139 PolarHBondContact O-N 3.08Å; L137-H139 VanDerWaalsContact C-N 3.33Å; L137-H139 PolarHBondContact O-N 3.39Å; H139-K143 WeakPolarHBondContact CE1-CE 3.23Å; H139-K143 PolarHBondContact CE1-NZ 2.98Å; H139-K143 PolarHBondContact O-N 3.27Å; H139-K143 VanDerWaalsContact O-N 3.16Å |
| 140 | F | 64.6 | Low | 66.7 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -43.2 | 170.9 | -81.2 | -70.1 | 0 | 0 | 0 | 112.5 | E136 L137 K138 E142 K143 E144 | E136-F140 WeakPolarHBondContact O-CD2 3.47Å; E136-F140 PolarHBondContact O-N 2.96Å; L137-F140 PolarHBondContact O-N 3.12Å; K138-F140 VanDerWaalsContact C-N 3.31Å; K138-F140 PolarHBondContact O-N 3.38Å; F140-E142 VanDerWaalsContact C-N 3.27Å; F140-E142 PolarHBondContact O-N 3.3Å; F140-K143 PolarHBondContact O-N 2.73Å; F140-E144 PolarHBondContact O-N 3.36Å |
| 141 | D | 70 | Confident | 65.9 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 176.9 | -76.6 | -9.5 | 0 | 0 | 0 | 112 | L137 K138 K145 | L137-D141 PolarHBondContact O-N 3.45Å; K138-D141 PolarHBondContact O-N 3.49Å; D141-K145 WeakPolarHBondContact O-CG 3.32Å; D141-K145 PolarHBondContact O-N 3.46Å |
| 142 | E | 71.2 | Confident | 65 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.3 | -45.5 | 175.6 | -73.8 | 174.2 | 180 | 0 | 0 | 112 | K138 F140 E144 K145 E146 | K138-E142 WeakPolarHBondContact O-CG 3.33Å; K138-E142 PolarHBondContact O-N 2.96Å; F140-E142 VanDerWaalsContact C-N 3.27Å; F140-E142 PolarHBondContact O-N 3.3Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.03Å; E142-K145 WeakPolarHBondContact O-CB 3.39Å; E142-K145 PolarHBondContact O-N 3.3Å; E142-E146 PolarHBondContact O-N 3.13Å |
| 143 | K | 69.5 | Low | 63.7 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 47% | 0.465 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 176.1 | -79 | -172.6 | 172.8 | -176 | 0 | 113.3 | H139 F140 K145 E146 L147 | H139-K143 WeakPolarHBondContact CE1-CE 3.23Å; H139-K143 PolarHBondContact CE1-NZ 2.98Å; H139-K143 PolarHBondContact O-N 3.27Å; H139-K143 VanDerWaalsContact O-N 3.16Å; F140-K143 PolarHBondContact O-N 2.73Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-E146 PolarHBondContact O-N 2.98Å; K143-L147 PolarHBondContact O-N 3.47Å |
| 144 | E | 61.8 | Low | 62.5 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 175.8 | -168.2 | 173.1 | -171.1 | 0 | 0 | 111.2 | F140 E142 L147 M148 | F140-E144 PolarHBondContact O-N 3.36Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.03Å; E144-L147 PolarHBondContact O-N 3.37Å; E144-M148 PolarHBondContact O-N 3.08Å; E144-M148 VanDerWaalsContact O-N 3.13Å |
| 145 | K | 62.3 | Low | 60.6 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.7 | -40.3 | 173.7 | -75.4 | 173.5 | -176.8 | 171.9 | 0 | 113.1 | D141 E142 K143 L147 M148 Q149 | D141-K145 WeakPolarHBondContact O-CG 3.32Å; D141-K145 PolarHBondContact O-N 3.46Å; E142-K145 WeakPolarHBondContact O-CB 3.39Å; E142-K145 PolarHBondContact O-N 3.3Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-L147 PolarHBondContact O-N 3.49Å; K145-M148 PolarHBondContact O-N 3.49Å; K145-Q149 PolarHBondContact O-N 3.33Å |
| 146 | E | 63.7 | Low | 59.1 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | 176 | -73.5 | -177.8 | 170.3 | 0 | 0 | 111.8 | E142 K143 Q149 Q150 | E142-E146 PolarHBondContact O-N 3.13Å; K143-E146 PolarHBondContact O-N 2.98Å; E146-Q149 PolarHBondContact O-N 3.3Å; E146-Q150 PolarHBondContact O-N 3.45Å |
| 147 | L | 57.5 | Low | 57.9 | Low | 115 Ų | 115 | 116.6 Ų | 116.6 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 176.6 | -82.7 | 163.6 | 0 | 0 | 0 | 112.3 | K143 E144 K145 Q150 Q151 | K143-L147 PolarHBondContact O-N 3.47Å; E144-L147 PolarHBondContact O-N 3.37Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-L147 PolarHBondContact O-N 3.49Å; L147-Q150 PolarHBondContact O-N 3.28Å; L147-Q151 WeakPolarHBondContact O-CB 3.3Å; L147-Q151 PolarHBondContact O-N 2.73Å |
| 148 | M | 54.3 | Low | 56.4 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 49% | 0.488 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -40.2 | 176 | -72.8 | -165.4 | -73.6 | 0 | 0 | 112.2 | E144 K145 Q150 Q151 D152 | E144-M148 PolarHBondContact O-N 3.08Å; E144-M148 VanDerWaalsContact O-N 3.13Å; K145-M148 PolarHBondContact O-N 3.49Å; M148-Q150 PolarHBondContact O-N 3.18Å; M148-Q151 PolarHBondContact O-N 3.21Å; M148-Q151 VanDerWaalsContact O-N 3.17Å; M148-D152 PolarHBondContact O-N 3.48Å |
| 149 | Q | 56.9 | Low | 54.6 | Low | 146 Ų | 146 | 121.3 Ų | 121.3 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.2 | -37.5 | 175.9 | -74.1 | -175.8 | 12.4 | 0 | 0 | 112.7 | K145 E146 Q151 W153 | K145-Q149 PolarHBondContact O-N 3.33Å; E146-Q149 PolarHBondContact O-N 3.3Å; Q149-Q151 VanDerWaalsContact C-N 3.31Å; Q149-Q151 PolarHBondContact O-N 3.31Å; Q149-W153 PolarHBondContact O-N 3.41Å |
| 150 | Q | 53.6 | Low | 52.8 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.4 | -37.5 | 172.7 | -76.1 | -171.9 | -13 | 0 | 0 | 111.9 | E146 L147 M148 W153 F154 | E146-Q150 PolarHBondContact O-N 3.45Å; L147-Q150 PolarHBondContact O-N 3.28Å; M148-Q150 PolarHBondContact O-N 3.18Å; Q150-W153 WeakPolarHBondContact O-CB 3.33Å; Q150-W153 PolarHBondContact O-N 2.65Å; Q150-F154 WeakPolarHBondContact O-CD2 3.35Å; Q150-F154 PolarHBondContact O-N 3.47Å; Q150-F154 VanDerWaalsContact O-N 3.13Å |
| 151 | Q | 50 | Low | 51.6 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.3 | -34.5 | -178.6 | -146.3 | 166.6 | 28 | 0 | 0 | 113 | L147 M148 Q149 W153 F154 S155 | L147-Q151 WeakPolarHBondContact O-CB 3.3Å; L147-Q151 PolarHBondContact O-N 2.73Å; M148-Q151 PolarHBondContact O-N 3.21Å; M148-Q151 VanDerWaalsContact O-N 3.17Å; Q149-Q151 VanDerWaalsContact C-N 3.31Å; Q149-Q151 PolarHBondContact O-N 3.31Å; Q151-W153 VanDerWaalsContact C-N 3.27Å; Q151-W153 PolarHBondContact O-N 3.07Å; Q151-F154 PolarHBondContact O-N 2.76Å; Q151-S155 PolarHBondContact O-N 3.32Å; Q151-S155 VanDerWaalsContact O-N 3.12Å; Q151-S155 PolarHBondContact O-OG 3.38Å |
| 152 | D | 49.1 | Very low | 50.3 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 65% | 0.647 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63 | -36.1 | 169.4 | -78 | -19.1 | 0 | 0 | 0 | 111.3 | M148 S155 S156 | M148-D152 PolarHBondContact O-N 3.48Å; D152-S155 PolarHBondContact O-N 2.96Å; D152-S156 PolarHBondContact O-N 3.19Å |
| 153 | W | 45 | Very low | 48.6 | Very low | 196 Ų | 196 | 120.2 Ų | 120.2 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -44.7 | 176.1 | -147.6 | -10.1 | 0 | 0 | 0 | 111.8 | Q149 Q150 Q151 S155 S156 T157 | Q149-W153 PolarHBondContact O-N 3.41Å; Q150-W153 WeakPolarHBondContact O-CB 3.33Å; Q150-W153 PolarHBondContact O-N 2.65Å; Q151-W153 VanDerWaalsContact C-N 3.27Å; Q151-W153 PolarHBondContact O-N 3.07Å; W153-S155 VanDerWaalsContact C-N 3.3Å; W153-S155 PolarHBondContact O-N 2.8Å; W153-S156 PolarHBondContact O-N 3.23Å; W153-S156 PolarHBondContact O-OG 2.87Å; W153-T157 PolarHBondContact O-OG1 2.63Å; W153-T157 VanDerWaalsContact O-OG1 3.08Å |
| 154 | F | 42.8 | Very low | 47.2 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 54% | 0.535 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.3 | -36.6 | 175.8 | -82.1 | -74.2 | 0 | 0 | 0 | 112.8 | Q150 Q151 S156 T157 Y158 | Q150-F154 WeakPolarHBondContact O-CD2 3.35Å; Q150-F154 PolarHBondContact O-N 3.47Å; Q150-F154 VanDerWaalsContact O-N 3.13Å; Q151-F154 PolarHBondContact O-N 2.76Å; F154-S156 PolarHBondContact O-N 3Å; F154-T157 PolarHBondContact O-N 3.43Å; F154-Y158 HydrophobicContact CD1-CE2 4.09Å; F154-Y158 VanDerWaalsContact O-CD2 3.29Å; F154-Y158 WeakPolarHBondContact O-CD2 3.3Å |
| 155 | S | 39.1 | Very low | 46.2 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.1 | -25.4 | -178 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | Q151 D152 W153 | Q151-S155 PolarHBondContact O-N 3.32Å; Q151-S155 VanDerWaalsContact O-N 3.12Å; Q151-S155 PolarHBondContact O-OG 3.38Å; D152-S155 PolarHBondContact O-N 2.96Å; W153-S155 VanDerWaalsContact C-N 3.3Å; W153-S155 PolarHBondContact O-N 2.8Å |
| 156 | S | 41.6 | Very low | 45 | Very low | 78 Ų | 78 | 119.8 Ų | 119.8 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.2 | -28.4 | 177.2 | 77 | 0 | 0 | 0 | 0 | 113.8 | D152 W153 F154 | D152-S156 PolarHBondContact O-N 3.19Å; W153-S156 PolarHBondContact O-N 3.23Å; W153-S156 PolarHBondContact O-OG 2.87Å; F154-S156 PolarHBondContact O-N 3Å |
| 157 | T | 43 | Very low | 43.7 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 56% | 0.558 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.9 | -25.7 | -171.9 | -12.7 | 0 | 0 | 0 | 0 | 113.5 | W153 F154 N159 | W153-T157 PolarHBondContact O-OG1 2.63Å; W153-T157 VanDerWaalsContact O-OG1 3.08Å; F154-T157 PolarHBondContact O-N 3.43Å; T157-N159 VanDerWaalsContact C-N 3.35Å; T157-N159 PolarHBondContact O-N 2.84Å |
| 158 | Y | 39.5 | Very low | 42.4 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 72% | 0.718 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -8.3 | -177.4 | -80.6 | -73.5 | 0 | 0 | 0 | 115.2 | F154 V160 | F154-Y158 HydrophobicContact CD1-CE2 4.09Å; F154-Y158 VanDerWaalsContact O-CD2 3.29Å; F154-Y158 WeakPolarHBondContact O-CD2 3.3Å; Y158-V160 VanDerWaalsContact C-N 3.29Å; Y158-V160 PolarHBondContact O-N 3.29Å |
| 159 | N | 37.5 | Very low | 41.7 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 4.6 | 175.2 | -79 | -17.8 | 0 | 0 | 0 | 114.1 | T157 I161 | T157-N159 VanDerWaalsContact C-N 3.35Å; T157-N159 PolarHBondContact O-N 2.84Å; N159-I161 PolarHBondContact O-N 3.02Å |
| 160 | V | 36.6 | Very low | 40.6 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | trans | -78.9 | 80.3 | 163.8 | -170.1 | 0 | 0 | 0 | 0 | 107.8 | Y158 P162 | Y158-V160 VanDerWaalsContact C-N 3.29Å; Y158-V160 PolarHBondContact O-N 3.29Å; V160-P162 WeakPolarHBondContact O-CD 3.13Å; V160-P162 VanDerWaalsContact O-N 3.15Å | ||
| 161 | I | 39.5 | Very low | 39.6 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -59.7 | 114.6 | 162.2 | -61.7 | 170.4 | 0 | 0 | 0 | 105.5 | N159 S163 | N159-I161 PolarHBondContact O-N 3.02Å; I161-S163 PolarHBondContact O-N 2.57Å | ||
| 162 | P | 40.9 | Very low | 38.6 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | trans | -61.4 | 114.9 | 175.9 | 23.8 | -30.1 | 0 | 0 | 0 | 107.5 | V160 E164 | V160-P162 WeakPolarHBondContact O-CD 3.13Å; V160-P162 VanDerWaalsContact O-N 3.15Å; P162-E164 PolarHBondContact O-N 2.95Å | ||
| 163 | S | 37 | Very low | 37.8 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 54% | 0.538 | 69% | 0.692 | S | S | . | * | trans | -57.8 | 132.7 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 109 | I161 S165 A166 | I161-S163 PolarHBondContact O-N 2.57Å; S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 PolarHBondContact OG-OG 2.73Å; S163-A166 PolarHBondContact O-N 3.09Å | ||
| 164 | E | 38.8 | Very low | 37 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 83% | 0.827 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -52.4 | -13.6 | -178.1 | -69.4 | -178.8 | 152.1 | 0 | 0 | 114.5 | P162 A166 Y167 | P162-E164 PolarHBondContact O-N 2.95Å; E164-A166 PolarHBondContact O-N 3.4Å; E164-Y167 PolarHBondContact O-N 3.35Å; E164-Y167 VanDerWaalsContact O-N 3.16Å |
| 165 | S | 41.8 | Very low | 36.3 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -61.2 | -22.8 | 170.4 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | S163 Y167 | S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 PolarHBondContact OG-OG 2.73Å; S165-Y167 PolarHBondContact O-N 3.35Å |
| 166 | A | 37.7 | Very low | 35.9 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -69.9 | -17.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S163 E164 | S163-A166 PolarHBondContact O-N 3.09Å; E164-A166 PolarHBondContact O-N 3.4Å |
| 167 | Y | 34.7 | Very low | 35.4 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -97.8 | 17.1 | -175.6 | -79 | -80.8 | 0 | 0 | 0 | 114.7 | E164 S165 P169 | E164-Y167 PolarHBondContact O-N 3.35Å; E164-Y167 VanDerWaalsContact O-N 3.16Å; S165-Y167 PolarHBondContact O-N 3.35Å; Y167-P169 VanDerWaalsContact C-CD 3.44Å; Y167-P169 WeakPolarHBondContact O-CD 3.48Å |
| 168 | R | 31.8 | Very low | 34.8 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | trans | -94 | 93.8 | 166.4 | -88.9 | -169 | 173 | -165.8 | -0.1 | 110.8 | S170 | R168-S170 VanDerWaalsContact C-N 3.26Å; R168-S170 PolarHBondContact O-N 3.39Å | ||
| 169 | P | 38.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -71.9 | 85.2 | 165.8 | 29.8 | -32.9 | 0 | 0 | 0 | 108.8 | Y167 Y171 | Y167-P169 VanDerWaalsContact C-CD 3.44Å; Y167-P169 WeakPolarHBondContact O-CD 3.48Å; P169-Y171 VanDerWaalsContact C-N 3.32Å; P169-Y171 PolarHBondContact O-N 3.06Å | ||
| 170 | S | 33.7 | Very low | 34.2 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -88.7 | 60.9 | 173.6 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | R168 | R168-S170 VanDerWaalsContact C-N 3.26Å; R168-S170 PolarHBondContact O-N 3.39Å | ||
| 171 | Y | 33.7 | Very low | 33.8 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -143.6 | 100.2 | 165 | -80.2 | -75.4 | 0 | 0 | 0 | 111.7 | P169 M173 | P169-Y171 VanDerWaalsContact C-N 3.32Å; P169-Y171 PolarHBondContact O-N 3.06Å; Y171-M173 PolarHBondContact O-N 3.33Å; Y171-M173 VanDerWaalsContact O-N 3.07Å | ||
| 172 | K | 28.3 | Very low | 33.5 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -61.2 | 96.1 | 155.6 | -80.2 | 177.5 | 171.8 | -179.7 | 0 | 108 | Y174 | K172-Y174 HydrophobicContact CD-CE2 4.38Š| ||
| 173 | M | 33 | Very low | 33 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -96.1 | 94.4 | 163.5 | -75.5 | -134.3 | -89.1 | 0 | 0 | 109.5 | Y171 | Y171-M173 PolarHBondContact O-N 3.33Å; Y171-M173 VanDerWaalsContact O-N 3.07Å | ||
| 174 | Y | 28.2 | Very low | 32.8 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 122.2 | 152.3 | -75 | -94.9 | 0 | 0 | 0 | 107.7 | K172 | K172-Y174 HydrophobicContact CD-CE2 4.38Š| ||
| 175 | G | 27.6 | Very low | 32.3 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | 167.1 | 49.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 176 | N | 30.8 | Very low | 32.3 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 14.7 | 119.9 | 146.2 | -99.2 | -1.2 | 0 | 0 | 0 | 120.7 | ||||
| 177 | V | 31.4 | Very low | 32 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | 59.8 | 118.5 | 138.7 | -100.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 178 | G | 30.2 | Very low | 31.8 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 115.6 | 70.6 | 131.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 179 | S | 31.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -164.2 | 141.4 | 144 | -85.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 180 | A | 32.8 | Very low | 31.5 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -39.4 | 133.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.4 | V182 | A180-V182 VanDerWaalsContact C-N 3.27Å; A180-V182 PolarHBondContact O-N 3.16Å | ||
| 181 | A | 28.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -57.3 | 92.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A183 | A181-A183 VanDerWaalsContact C-N 3.27Å; A181-A183 PolarHBondContact O-N 3.01Å | ||
| 182 | V | 32.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 139 Ų | 139 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -60.8 | 102.2 | 156.4 | 176.6 | 0 | 0 | 0 | 0 | 103.9 | A180 Q184 | A180-V182 VanDerWaalsContact C-N 3.27Å; A180-V182 PolarHBondContact O-N 3.16Å; V182-Q184 PolarHBondContact O-N 3.41Å | ||
| 183 | A | 30.8 | Very low | 31.1 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -57.5 | 95.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | A181 S185 | A181-A183 VanDerWaalsContact C-N 3.27Å; A181-A183 PolarHBondContact O-N 3.01Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 3.29Å | ||
| 184 | Q | 31.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -63.5 | 100.3 | 172.4 | -75.5 | -178.8 | -15.8 | 0 | 0 | 106.2 | V182 | V182-Q184 PolarHBondContact O-N 3.41Š| ||
| 185 | S | 29.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | trans | -52.3 | 125.5 | 165.8 | 169.7 | 0 | 0 | 0 | 0 | 107.8 | A183 H187 S188 | A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 3.29Å; S185-H187 PolarHBondContact O-N 3.05Å; S185-S188 PolarHBondContact O-OG 3.39Å | ||
| 186 | P | 40.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 18.4 | -174.7 | 26.6 | -33.4 | 0 | 0 | 0 | 114.1 | ||
| 187 | H | 32 | Very low | 30.8 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 15.4 | -179.9 | -71.5 | 19.8 | 0 | 0 | 0 | 113.5 | S185 | S185-H187 PolarHBondContact O-N 3.05Š|
| 188 | S | 31 | Very low | 30.7 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | -103.8 | 53.1 | 174.1 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | S185 | S185-S188 PolarHBondContact O-OG 3.39Š| ||
| 189 | Y | 32.1 | Very low | 30.6 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -124.5 | 155.2 | 159.4 | -65.8 | -79.3 | 0 | 0 | 0 | 107.1 | ||||
| 190 | W | 32.2 | Very low | 30.4 | Very low | 247 Ų | 247 | 129.7 Ų | 129.7 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | 90.9 | 54.8 | -175.3 | -52.8 | 88.9 | 0 | 0 | 0 | 116.6 | ||||
| 191 | L | 30.2 | Very low | 30 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -152.6 | 86.4 | 136.9 | -77.1 | -172.4 | 0 | 0 | 0 | 109.5 | ||||
| 192 | H | 28.4 | Very low | 29.9 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 93% | 0.931 | 76% | 0.758 | S | S | * | * | trans | -131.2 | 86.8 | 149.2 | -92.5 | -77.5 | 0 | 0 | 0 | 107.6 | ||||
| 193 | A | 27.3 | Very low | 29.6 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -68.8 | 130.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 194 | S | 26.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 47.3 | 111.9 | 149.4 | 57.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 195 | S | 30.2 | Very low | 29.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 179.8 | 109.4 | 129.5 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 196 | V | 26.6 | Very low | 29.8 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | trans | 59.1 | 106.2 | 137.7 | -170.7 | 0 | 0 | 0 | 0 | 117.9 | Q198 | V196-Q198 HydrophobicContact CG1-CG 4.19Å; V196-Q198 PolarHBondContact O-N 3.02Å | ||
| 197 | A | 30.7 | Very low | 29.1 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -49.2 | 106.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 198 | Q | 28 | Very low | 28.9 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -117.7 | 88.4 | 155.1 | -92.4 | -179.5 | -7.5 | 0 | 0 | 108.2 | V196 | V196-Q198 HydrophobicContact CG1-CG 4.19Å; V196-Q198 PolarHBondContact O-N 3.02Å | ||
| 199 | T | 29.3 | Very low | 28.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -54.8 | 130 | 154 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 200 | T | 26.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 164.1 | 101.5 | 137.8 | 39.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 201 | N | 25.7 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | 66.3 | 123 | 94.5 | -84.4 | -8.4 | 0 | 0 | 0 | 113.5 | |||||
| 202 | E | 26.7 | Very low | 28.2 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 77.5 | 107.8 | 151.1 | -62.6 | 177 | -168.8 | 0 | 0 | 117.8 | ||||
| 203 | G | 26 | Very low | 28.5 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | 112.2 | 111.9 | 113.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 204 | I | 27.4 | Very low | 28.9 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 81.7 | 104.3 | 131.4 | -54.5 | 168.4 | 0 | 0 | 0 | 117.5 | ||||
| 205 | S | 28 | Very low | 29.1 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 84.7 | 120.4 | 131.7 | -160.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 206 | P | 40.1 | Very low | 29.1 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -88.8 | 115.3 | -178.9 | 34.5 | -29 | 0 | 0 | 0 | 110.6 | ||||
| 207 | K | 25.9 | Very low | 29.5 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -140.3 | 139.9 | 159.3 | -80.4 | -170 | 179.2 | 174.4 | 0 | 111.6 | ||||
| 208 | S | 28.1 | Very low | 29.4 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 69.9 | 106.8 | 153.8 | 45.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 209 | R | 26.4 | Very low | 29.4 | Very low | 244 Ų | 244 | 140.6 Ų | 140.6 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | 39.3 | 110 | 122.2 | -66.1 | 178.6 | 174.7 | -179.9 | -2.1 | 116.3 | |||||
| 210 | S | 26.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | -177.6 | 126.4 | 107.8 | 60.1 | 0 | 0 | 0 | 0 | 111 | T212 | S210-T212 PolarHBondContact O-N 3.41Š| |||
| 211 | R | 26.8 | Very low | 29.5 | Very low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -47 | 113.8 | 161.4 | 179.7 | -173.1 | -166.3 | -178.5 | 3.7 | 112 | ||||
| 212 | T | 31.6 | Very low | 29.7 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -150.7 | 109.5 | 147 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | S210 | S210-T212 PolarHBondContact O-N 3.41Š| ||
| 213 | T | 33.9 | Very low | 30 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -62.2 | 140 | 163 | 36.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 214 | P | 36.3 | Very low | 30.5 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -127.5 | 109.8 | 131.1 | 30.2 | -16.4 | 0 | 0 | 0 | 107.7 | Q216 | P214-Q216 VanDerWaalsContact C-N 3.31Å; P214-Q216 PolarHBondContact O-N 3.49Å | ||
| 215 | E | 29.9 | Very low | 30.7 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | 27.8 | 67.8 | 76.7 | -73.2 | -157.9 | 174.1 | 0 | 0 | 113.2 | |||||
| 216 | Q | 31.6 | Very low | 31.3 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -130.4 | 74 | 147.6 | -73.8 | -167.9 | -1.9 | 0 | 0 | 108.5 | P214 A218 | P214-Q216 VanDerWaalsContact C-N 3.31Å; P214-Q216 PolarHBondContact O-N 3.49Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 2.73Å; Q216-A218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | T | 35 | Very low | 31.5 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -73.5 | 93.9 | 164 | -36.2 | 0 | 0 | 0 | 0 | 106.5 | V219 | T217-V219 PolarHBondContact O-N 2.97Š| ||
| 218 | A | 27.9 | Very low | 32.1 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 57% | 0.57 | 73% | 0.729 | S | S | * | * | trans | -67.7 | 98.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q216 F220 | Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 2.73Å; Q216-A218 VanDerWaalsContact O-N 3.11Å; A218-F220 HydrophobicContact CB-CD2 3.97Å; A218-F220 HydrophobicContact CB-CE2 3.47Å; A218-F220 VanDerWaalsContact CB-CE2 3.47Å; A218-F220 HydrophobicContact CB-CZ 4.23Å; A218-F220 PolarHBondContact O-N 3.44Å; A218-F220 VanDerWaalsContact O-N 3.08Å | ||
| 219 | V | 28.6 | Very low | 32.5 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | trans | -74.4 | 93.7 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | T217 S221 | T217-V219 PolarHBondContact O-N 2.97Å; V219-S221 PolarHBondContact O-N 3.42Å | ||
| 220 | F | 29.1 | Very low | 33.2 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -87 | 102.5 | 167.4 | -69.4 | -79.5 | 0 | 0 | 0 | 108.5 | A218 I222 | A218-F220 HydrophobicContact CB-CD2 3.97Å; A218-F220 HydrophobicContact CB-CE2 3.47Å; A218-F220 VanDerWaalsContact CB-CE2 3.47Å; A218-F220 HydrophobicContact CB-CZ 4.23Å; A218-F220 PolarHBondContact O-N 3.44Å; A218-F220 VanDerWaalsContact O-N 3.08Å; F220-I222 PolarHBondContact O-N 3.36Å | ||
| 221 | S | 28.4 | Very low | 33.9 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 107 | 170.6 | 74.2 | 0 | 0 | 0 | 0 | 108.9 | V219 S223 | V219-S221 PolarHBondContact O-N 3.42Å; S221-S223 VanDerWaalsContact C-N 3.33Å; S221-S223 PolarHBondContact O-N 3.25Å; S221-S223 VanDerWaalsContact O-N 3.1Å | ||
| 222 | I | 30.2 | Very low | 34.5 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -79.4 | 91.9 | 166.5 | -53.7 | 173.6 | 0 | 0 | 0 | 105.7 | F220 S224 | F220-I222 PolarHBondContact O-N 3.36Å; I222-S224 PolarHBondContact O-N 3.17Å | ||
| 223 | S | 33.3 | Very low | 35 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -66.6 | 89.6 | 164 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | S221 E225 | S221-S223 VanDerWaalsContact C-N 3.33Å; S221-S223 PolarHBondContact O-N 3.25Å; S221-S223 VanDerWaalsContact O-N 3.1Å; S223-E225 PolarHBondContact O-N 3.48Å | ||
| 224 | S | 36.5 | Very low | 35.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | trans | -74.4 | 71.6 | 171 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | I222 T226 | I222-S224 PolarHBondContact O-N 3.17Å; S224-T226 PolarHBondContact O-N 3.35Å; S224-T226 VanDerWaalsContact O-N 3.1Å | ||
| 225 | E | 31 | Very low | 35 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 34% | 0.336 | 67% | 0.669 | S | S | . | * | trans | -64.7 | 106.9 | 167.8 | -163.1 | 169.1 | -146 | 0 | 0 | 106 | S223 E229 Q230 R233 | S223-E225 PolarHBondContact O-N 3.48Å; E225-E229 HydrophobicContact CG-CB 3.53Å; E225-Q230 HydrophobicContact CG-CG 4.49Å; E225-R233 IonicContact OE1-CZ 3.73Å; E225-R233 IonicContact OE1-NH1 2.87Å; E225-R233 PolarHBondContact OE1-NH1 3.02Å; E225-R233 IonicContact OE2-NH1 3.98Å | ||
| 226 | T | 41.4 | Very low | 35.3 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | trans | -62.7 | 152.8 | -180 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | S224 F228 E229 Q230 | S224-T226 PolarHBondContact O-N 3.35Å; S224-T226 VanDerWaalsContact O-N 3.1Å; T226-F228 PolarHBondContact O-N 3.38Å; T226-E229 PolarHBondContact O-N 3.21Å; T226-Q230 PolarHBondContact O-N 3.26Å | ||
| 227 | A | 43.2 | Very low | 35.7 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -52.3 | -25.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q230 L231 | A227-Q230 PolarHBondContact O-N 3.23Å; A227-L231 PolarHBondContact O-N 3.23Å; A227-L231 VanDerWaalsContact O-N 3.15Å |
| 228 | F | 38.7 | Very low | 35.7 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 75% | 0.746 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.8 | -34.7 | 174.6 | -166.9 | -97.9 | 0 | 0 | 0 | 113.6 | T226 | T226-F228 PolarHBondContact O-N 3.38Å |
| 229 | E | 35.9 | Very low | 36 | Very low | 110 Ų | 110 | 124 Ų | 124 | 51% | 0.514 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -76.2 | -34.5 | 176.8 | -69.9 | -158.2 | 152.2 | 0 | 0 | 112.3 | E225 T226 R232 | E225-E229 HydrophobicContact CG-CB 3.53Å; T226-E229 PolarHBondContact O-N 3.21Å; E229-R232 PolarHBondContact O-N 3.49Å |
| 230 | Q | 42.4 | Very low | 36 | Very low | 119 Ų | 119 | 126 Ų | 126 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.6 | -42.4 | 173.1 | -72.2 | -174.8 | -9.5 | 0 | 0 | 112 | E225 T226 A227 R232 R233 S234 | E225-Q230 HydrophobicContact CG-CG 4.49Å; T226-Q230 PolarHBondContact O-N 3.26Å; A227-Q230 PolarHBondContact O-N 3.23Å; Q230-R232 PolarHBondContact O-N 3.45Å; Q230-R233 PolarHBondContact O-N 3.33Å; Q230-R233 VanDerWaalsContact O-N 3.1Å; Q230-S234 PolarHBondContact O-N 2.81Å; Q230-S234 PolarHBondContact O-OG 3.2Å |
| 231 | L | 40.3 | Very low | 36 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.4 | -26 | -178.4 | -149.4 | 128.3 | 0 | 0 | 0 | 112.7 | A227 R233 S234 | A227-L231 PolarHBondContact O-N 3.23Å; A227-L231 VanDerWaalsContact O-N 3.15Å; L231-R233 VanDerWaalsContact C-N 3.34Å; L231-S234 PolarHBondContact O-OG 3.35Å |
| 232 | R | 38.6 | Very low | 36.2 | Very low | 215 Ų | 215 | 127.4 Ų | 127.4 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -71.7 | -27.7 | 176.4 | -155.1 | -177.8 | -177.3 | -168.7 | 1 | 112.7 | E229 Q230 | E229-R232 PolarHBondContact O-N 3.49Å; Q230-R232 PolarHBondContact O-N 3.45Å |
| 233 | R | 42.5 | Very low | 36.3 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -90 | -28 | 178 | -76.2 | -176 | 171.7 | 147.3 | 0.8 | 113.6 | E225 Q230 L231 S235 | E225-R233 IonicContact OE1-CZ 3.73Å; E225-R233 IonicContact OE1-NH1 2.87Å; E225-R233 PolarHBondContact OE1-NH1 3.02Å; E225-R233 IonicContact OE2-NH1 3.98Å; Q230-R233 PolarHBondContact O-N 3.33Å; Q230-R233 VanDerWaalsContact O-N 3.1Å; L231-R233 VanDerWaalsContact C-N 3.34Å; R233-S235 PolarHBondContact O-N 2.86Å |
| 234 | S | 36.4 | Very low | 36.1 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -79.5 | 2.1 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 114 | Q230 L231 T236 | Q230-S234 PolarHBondContact O-N 2.81Å; Q230-S234 PolarHBondContact O-OG 3.2Å; L231-S234 PolarHBondContact O-OG 3.35Å; S234-T236 PolarHBondContact O-N 3.5Å |
| 235 | S | 33.7 | Very low | 35.7 | Very low | 57 Ų | 57 | 129 Ų | 129 | 40% | 0.399 | 70% | 0.699 | S | S | . | * | trans | -75.7 | 111.7 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | R233 F237 | R233-S235 PolarHBondContact O-N 2.86Å; S235-F237 PolarHBondContact O-N 2.89Å; S235-F237 PolarHBondContact OG-N 2.89Å | ||
| 236 | T | 37.3 | Very low | 35.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 5.9 | 173.9 | -6.3 | 0 | 0 | 0 | 0 | 114.2 | S234 A238 | S234-T236 PolarHBondContact O-N 3.5Å; T236-A238 PolarHBondContact O-N 3.29Å |
| 237 | F | 39.2 | Very low | 35 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 6 | 174.1 | -84.7 | -83.6 | 0 | 0 | 0 | 114.2 | S235 | S235-F237 PolarHBondContact O-N 2.89Å; S235-F237 PolarHBondContact OG-N 2.89Å |
| 238 | A | 35.5 | Very low | 34.5 | Very low | 83 Ų | 83 | 144.6 Ų | 144.6 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -107.5 | 75.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T236 | T236-A238 PolarHBondContact O-N 3.29Š|
| 239 | S | 33 | Very low | 34.2 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | trans | 163 | 83.7 | 143.2 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 240 | D | 30.5 | Very low | 34 | Very low | 172 Ų | 172 | 145 Ų | 145 | 92% | 0.92 | 76% | 0.764 | S | S | * | * | trans | -115.8 | 84.2 | 147.3 | -85.9 | -32.2 | 0 | 0 | 0 | 107.2 | C242 | D240-C242 PolarHBondContact O-N 2.77Š| ||
| 241 | H | 27.5 | Very low | 33.4 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -70.4 | 109.7 | 160 | -85.4 | -73.4 | 0 | 0 | 0 | 107.8 | ||||
| 242 | C | 33.4 | Very low | 33 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | -135.4 | 111.3 | 154.2 | -99.5 | 0 | 0 | 0 | 0 | 109.9 | D240 | D240-C242 PolarHBondContact O-N 2.77Š| ||
| 243 | T | 31.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 149.2 | 173.9 | 41.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 244 | G | 28.9 | Very low | 32.3 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 86.7 | 108.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 245 | E | 28.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | 63.1 | 101.1 | 94.7 | -70.6 | -142.7 | 147.3 | 0 | 0 | 112.5 | |||||
| 246 | E | 29.1 | Very low | 32.2 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | -170.3 | 115.3 | 120.6 | -102.4 | 174 | -166.6 | 0 | 0 | 112.1 | |||||
| 247 | D | 29.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 53.3 | 138.3 | 138.3 | -125.8 | -8 | 0 | 0 | 0 | 125.2 | ||||
| 248 | R | 31.1 | Very low | 31.9 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -51.8 | 131.4 | 174.7 | -64.5 | 164.1 | 161.4 | 107.8 | -1.1 | 112.7 | ||||
| 249 | S | 33 | Very low | 31.6 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -141.1 | 131.5 | 137.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 250 | Q | 31.6 | Very low | 31.6 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -60 | 142 | 177.4 | -57.7 | 178.2 | -18.6 | 0 | 0 | 111.6 | ||||
| 251 | R | 29.2 | Very low | 31.5 | Very low | 230 Ų | 230 | 145.8 Ų | 145.8 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | 150.6 | 111.1 | 125.6 | -79 | 175.6 | 101.3 | -173.7 | 4.8 | 111.4 | |||||
| 252 | S | 32.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 38.7 | 95.8 | 143.5 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 253 | S | 34.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -148.7 | 118.4 | 131.6 | -175 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 254 | Q | 31.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -87.8 | 140.2 | -178.6 | -164.3 | 172.5 | -15.6 | 0 | 0 | 107.2 | ||||
| 255 | F | 34.1 | Very low | 31.5 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 75% | 0.746 | 80% | 0.802 | S | S | * | * | trans | 89.2 | 74.5 | 174.4 | -52.3 | -74.2 | 0 | 0 | 0 | 118.1 | ||||
| 256 | H | 34.6 | Very low | 31.7 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -133.8 | 124.2 | 140 | -75.2 | -60.8 | 0 | 0 | 0 | 111.3 | ||||
| 257 | S | 34.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 28.3 | 114.6 | 154.3 | 53.7 | 0 | 0 | 0 | 0 | 118.4 | G259 | S257-G259 PolarHBondContact O-N 2.77Š| ||
| 258 | S | 35.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -54.8 | 88.6 | 167.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | C260 | S258-C260 PolarHBondContact O-N 2.77Š| ||
| 259 | G | 29.5 | Very low | 32.2 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -67.1 | 103.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S257 T261 | S257-G259 PolarHBondContact O-N 2.77Å; G259-T261 PolarHBondContact O-N 2.99Å; G259-T261 VanDerWaalsContact O-N 3.16Å | ||
| 260 | C | 31.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 93.6 | 168.3 | -173 | 0 | 0 | 0 | 0 | 107.7 | S258 V262 | S258-C260 PolarHBondContact O-N 2.77Å; C260-V262 PolarHBondContact O-N 3.5Å | ||
| 261 | T | 28.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -77.2 | 104.2 | 164.8 | 43 | 0 | 0 | 0 | 0 | 108.2 | G259 T263 | G259-T261 PolarHBondContact O-N 2.99Å; G259-T261 VanDerWaalsContact O-N 3.16Å; T261-T263 PolarHBondContact O-N 2.87Å | ||
| 262 | V | 32 | Very low | 32.5 | Very low | 131 Ų | 131 | 126 Ų | 126 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 98.8 | 166.2 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | C260 S264 | C260-V262 PolarHBondContact O-N 3.5Å; V262-S264 PolarHBondContact O-N 3.38Å | ||
| 263 | T | 27.7 | Very low | 32.3 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.5 | 169.1 | 46.8 | 0 | 0 | 0 | 0 | 108.2 | T261 S265 | T261-T263 PolarHBondContact O-N 2.87Å; T263-S265 PolarHBondContact O-N 3.46Å |
| 264 | S | 30.4 | Very low | 32 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.5 | 167.2 | 37.5 | 0 | 0 | 0 | 0 | 108.8 | V262 | V262-S264 PolarHBondContact O-N 3.38Š|
| 265 | S | 31 | Very low | 31.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56 | 148 | 173.1 | -78.5 | 0 | 0 | 0 | 0 | 112 | T263 | T263-S265 PolarHBondContact O-N 3.46Š|
| 266 | P | 34.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 148.5 | -166.6 | 33.3 | -35 | 0 | 0 | 0 | 113.4 | ||
| 267 | H | 29 | Very low | 31.8 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | 45.7 | 105.5 | 150.2 | -67.4 | -37.6 | 0 | 0 | 0 | 119.8 | ||||
| 268 | L | 36.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -96.7 | 128.1 | 136.9 | -85.4 | 154.3 | 0 | 0 | 0 | 107.6 | ||||
| 269 | P | 33.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -69.1 | 138.1 | -170.1 | 27 | -32.6 | 0 | 0 | 0 | 111.6 | G271 | P269-G271 PolarHBondContact O-N 2.98Å; P269-G271 VanDerWaalsContact O-N 3.15Å | ||
| 270 | S | 33.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -49.4 | 107.8 | 161.8 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | G | 30 | Very low | 31.6 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | -135.7 | 135.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P269 | P269-G271 PolarHBondContact O-N 2.98Å; P269-G271 VanDerWaalsContact O-N 3.15Å | ||
| 272 | P | 35.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -78.9 | 140.4 | -169.1 | 31.7 | -33 | 0 | 0 | 0 | 112 | ||||
| 273 | N | 28.8 | Very low | 31.5 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 35.1 | 90.4 | 153.8 | -65.9 | -27.5 | 0 | 0 | 0 | 117.4 | ||||
| 274 | H | 27.9 | Very low | 31.6 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -124.2 | 85.1 | 150.2 | -97 | -62.2 | 0 | 0 | 0 | 109.5 | ||||
| 275 | V | 30 | Very low | 31.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -64.9 | 122.3 | 148.4 | 177.9 | 0 | 0 | 0 | 0 | 105.4 | I277 | V275-I277 PolarHBondContact O-N 2.91Š| ||
| 276 | P | 34.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -64.4 | 107.1 | 176.1 | 23.9 | -29.9 | 0 | 0 | 0 | 108.5 | L278 | P276-L278 VanDerWaalsContact C-N 3.33Å; P276-L278 PolarHBondContact O-N 3.28Å | ||
| 277 | I | 31.4 | Very low | 31.4 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | trans | -65.7 | 100.2 | 165.7 | -61.2 | 173.7 | 0 | 0 | 0 | 105.6 | V275 N279 | V275-I277 PolarHBondContact O-N 2.91Å; I277-N279 WeakPolarHBondContact CG2-OD1 3.29Å; I277-N279 PolarHBondContact O-N 2.97Å | ||
| 278 | L | 35.5 | Very low | 31.5 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -67.1 | 84.9 | 165.6 | -75.4 | 158.9 | 0 | 0 | 0 | 107.3 | P276 A280 | P276-L278 VanDerWaalsContact C-N 3.33Å; P276-L278 PolarHBondContact O-N 3.28Å; L278-A280 PolarHBondContact O-N 3.43Å | ||
| 279 | N | 27.9 | Very low | 31.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 89.1 | 164.7 | -87.4 | -9.9 | 0 | 0 | 0 | 108 | I277 T281 | I277-N279 WeakPolarHBondContact CG2-OD1 3.29Å; I277-N279 PolarHBondContact O-N 2.97Å; N279-T281 PolarHBondContact O-N 3.12Å | ||
| 280 | A | 32.2 | Very low | 31.2 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 54.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L278 | L278-A280 PolarHBondContact O-N 3.43Š| ||
| 281 | T | 32 | Very low | 31.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -160.5 | 72.9 | 168.9 | -29.7 | 0 | 0 | 0 | 0 | 109.7 | N279 | N279-T281 PolarHBondContact O-N 3.12Š| ||
| 282 | D | 28.3 | Very low | 31.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 173.1 | 93.3 | 147.9 | -90.3 | -20.4 | 0 | 0 | 0 | 108.8 | ||||
| 283 | N | 30.6 | Very low | 31.6 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -176.9 | 79.9 | 137.4 | -89.3 | -29.1 | 0 | 0 | 0 | 108.2 | ||||
| 284 | Q | 28.6 | Very low | 31.8 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 145.1 | 146.1 | -68.8 | -165.8 | -10.1 | 0 | 0 | 108.7 | ||||
| 285 | N | 30.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 66 | 96.1 | 165.9 | -71.9 | -25.4 | 0 | 0 | 0 | 117.4 | ||||
| 286 | K | 32.2 | Very low | 32.6 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | -178.6 | 134.6 | 101.9 | -96.2 | 168.7 | -176.1 | 179 | 0 | 111.7 | |||||
| 287 | T | 30.6 | Very low | 32.7 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -58.1 | 163.4 | 169.8 | -17.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 288 | A | 31 | Very low | 33.2 | Very low | 88 Ų | 88 | 154.8 Ų | 154.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 87.4 | 96.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 289 | N | 31.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | 46.1 | 102.3 | 111.6 | -145.3 | 24.5 | 0 | 0 | 0 | 115.5 | |||||
| 290 | D | 31.2 | Very low | 33.8 | Very low | 134 Ų | 134 | 159.1 Ų | 159.1 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | trans | 166.4 | 109 | 133.1 | -83.5 | -20.2 | 0 | 0 | 0 | 110.1 | ||||
| 291 | N | 35.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 166 | 80.9 | 131.5 | -81.5 | -37.7 | 0 | 0 | 0 | 112 | ||||
| 292 | V | 33.9 | Very low | 33.8 | Very low | 105 Ų | 105 | 159.4 Ų | 159.4 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | trans | -4.1 | 126.6 | 134.5 | -178.9 | 0 | 0 | 0 | 0 | 115.8 | H294 | V292-H294 WeakPolarHBondContact CG1-CD2 3.46Š| ||
| 293 | R | 38.8 | Very low | 34.2 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -143.3 | 101.9 | 133.6 | -104.6 | -179.7 | -175.6 | -167.1 | 1.3 | 109.2 | L295 | R293-L295 PolarHBondContact O-N 2.85Å; R293-L295 VanDerWaalsContact O-N 3.12Å | ||
| 294 | H | 33.5 | Very low | 34.5 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -55.5 | 110.5 | 169.9 | -63.5 | -79.6 | 0 | 0 | 0 | 109.9 | V292 R296 | V292-H294 WeakPolarHBondContact CG1-CD2 3.46Å; H294-R296 PolarHBondContact O-N 3.14Å; H294-R296 VanDerWaalsContact O-N 3.14Å | ||
| 295 | L | 39.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 155 Ų | 155 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -66.6 | 108.6 | 159.7 | -104 | 109 | 0 | 0 | 0 | 107 | R293 E297 | R293-L295 PolarHBondContact O-N 2.85Å; R293-L295 VanDerWaalsContact O-N 3.12Å; L295-E297 PolarHBondContact O-N 3.19Å | ||
| 296 | R | 34.3 | Very low | 34.8 | Very low | 240 Ų | 240 | 156.6 Ų | 156.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -61 | 116 | 168.4 | -93 | 178 | 166.3 | 142.9 | -3.6 | 108.4 | H294 | H294-R296 PolarHBondContact O-N 3.14Å; H294-R296 VanDerWaalsContact O-N 3.14Å | ||
| 297 | E | 36.9 | Very low | 35.1 | Very low | 179 Ų | 179 | 153 Ų | 153 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -63.6 | 131.7 | 167.6 | -68.6 | -177.1 | 167 | 0 | 0 | 109.8 | L295 R299 | L295-E297 PolarHBondContact O-N 3.19Å; E297-R299 PolarHBondContact O-N 3.19Å; E297-R299 VanDerWaalsContact O-N 3.14Å | ||
| 298 | P | 41.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 114.9 | 177.6 | 24.1 | -29.6 | 0 | 0 | 0 | 110.2 | N300 | P298-N300 VanDerWaalsContact C-N 3.26Å; P298-N300 PolarHBondContact O-N 3.22Å | ||
| 299 | R | 37.7 | Very low | 35.1 | Very low | 241 Ų | 241 | 157 Ų | 157 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -60.4 | 88.8 | 161.5 | -82.3 | -179.4 | 171.1 | 178.4 | -3.7 | 108.8 | E297 | E297-R299 PolarHBondContact O-N 3.19Å; E297-R299 VanDerWaalsContact O-N 3.14Å |
| 300 | N | 38.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -162.7 | 66.1 | 153.9 | -85.5 | -26.2 | 0 | 0 | 0 | 106.6 | P298 V302 | P298-N300 VanDerWaalsContact C-N 3.26Å; P298-N300 PolarHBondContact O-N 3.22Å; N300-V302 VanDerWaalsContact C-N 3.32Å; N300-V302 PolarHBondContact O-N 3.14Å | ||
| 301 | A | 32.8 | Very low | 35.3 | Very low | 101 Ų | 101 | 156 Ų | 156 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 94.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 302 | V | 31.4 | Very low | 35.3 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.6 | 160.5 | 178.5 | 0 | 0 | 0 | 0 | 106.3 | N300 | N300-V302 VanDerWaalsContact C-N 3.32Å; N300-V302 PolarHBondContact O-N 3.14Å |
| 303 | P | 36.5 | Very low | 35.3 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.6 | -178 | 22.1 | -31.4 | 0 | 0 | 0 | 110.9 | M305 | P303-M305 PolarHBondContact O-N 3.09Š|
| 304 | P | 36.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.4 | -179 | 24.8 | -32.8 | 0 | 0 | 0 | 109.9 | E306 | P304-E306 PolarHBondContact O-N 3.39Š|
| 305 | M | 36 | Very low | 35.2 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 119.9 | 178.3 | -164.6 | 179 | -51.3 | 0 | 0 | 108.7 | P303 V307 | P303-M305 PolarHBondContact O-N 3.09Å; M305-V307 PolarHBondContact O-N 3.21Å; M305-V307 VanDerWaalsContact O-N 3.17Å |
| 306 | E | 30.4 | Very low | 35.1 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 118.3 | 173.8 | -72.2 | -177.9 | 166.1 | 0 | 0 | 109.7 | P304 I308 | P304-E306 PolarHBondContact O-N 3.39Å; E306-I308 PolarHBondContact O-N 3.08Å |
| 307 | V | 38.4 | Very low | 35.2 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -80.5 | 99.5 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | M305 E309 | M305-V307 PolarHBondContact O-N 3.21Å; M305-V307 VanDerWaalsContact O-N 3.17Å; V307-E309 PolarHBondContact O-N 3.35Å | ||
| 308 | I | 31.7 | Very low | 35.1 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -75.8 | 104.5 | 168.1 | -58.4 | 173.7 | 0 | 0 | 0 | 107 | E306 T310 | E306-I308 PolarHBondContact O-N 3.08Å; I308-T310 HydrophobicContact CG2-CG2 4.31Å; I308-T310 PolarHBondContact O-N 3.4Å | ||
| 309 | E | 31 | Very low | 34.9 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -60.6 | 101.9 | 170.6 | -66.2 | -177.1 | 174 | 0 | 0 | 109.1 | V307 | V307-E309 PolarHBondContact O-N 3.35Š| ||
| 310 | T | 33.9 | Very low | 35 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -94.5 | 115.9 | 170 | 42.4 | 0 | 0 | 0 | 0 | 108.5 | I308 S312 | I308-T310 HydrophobicContact CG2-CG2 4.31Å; I308-T310 PolarHBondContact O-N 3.4Å; T310-S312 PolarHBondContact O-N 3.1Å; T310-S312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | N | 32.5 | Very low | 35 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -49.5 | 118.5 | 177.2 | -74.9 | -42 | 0 | 0 | 0 | 110.6 | V313 | N311-V313 PolarHBondContact O-N 3.45Š| ||
| 312 | S | 36.6 | Very low | 35.1 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 10.6 | -160.8 | 51.9 | 0 | 0 | 0 | 0 | 116.4 | T310 | T310-S312 PolarHBondContact O-N 3.1Å; T310-S312 VanDerWaalsContact O-N 3.13Å |
| 313 | V | 33.4 | Very low | 35.6 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -18.3 | -178.2 | -160.6 | 0 | 0 | 0 | 0 | 112.5 | N311 | N311-V313 PolarHBondContact O-N 3.45Š|
| 314 | S | 36 | Very low | 35.9 | Very low | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -98.5 | -13.2 | -177.2 | -45.6 | 0 | 0 | 0 | 0 | 114.5 | H316 L317 E318 | S314-H316 PolarHBondContact O-N 2.74Å; S314-L317 PolarHBondContact O-N 2.87Å; S314-E318 PolarHBondContact O-N 3.22Å |
| 315 | C | 34.4 | Very low | 36.1 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 47% | 0.473 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -73.2 | -28.4 | -167.1 | -160.3 | 0 | 0 | 0 | 0 | 114 | L317 M319 | C315-L317 VanDerWaalsContact C-N 3.32Å; C315-L317 PolarHBondContact O-N 3.14Å; C315-M319 PolarHBondContact O-N 3.02Å; C315-M319 VanDerWaalsContact O-N 3.12Å |
| 316 | H | 36.3 | Very low | 36.4 | Very low | 150 Ų | 150 | 114.2 Ų | 114.2 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.4 | -29.1 | 175.9 | -84.6 | -56.3 | 0 | 0 | 0 | 113.3 | S314 | S314-H316 PolarHBondContact O-N 2.74Å |
| 317 | L | 37.4 | Very low | 36.9 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.5 | -38.5 | 177.1 | -84.6 | 161 | 0 | 0 | 0 | 111.8 | S314 C315 C321 | S314-L317 PolarHBondContact O-N 2.87Å; C315-L317 VanDerWaalsContact C-N 3.32Å; C315-L317 PolarHBondContact O-N 3.14Å; L317-C321 WeakPolarHBondContact O-CB 3.28Å; L317-C321 PolarHBondContact O-N 2.97Å |
| 318 | E | 33.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.9 | -34.2 | 177.7 | -73 | -173.3 | 175.5 | 0 | 0 | 113.1 | S314 C321 S322 | S314-E318 PolarHBondContact O-N 3.22Å; E318-C321 PolarHBondContact O-N 3.47Å; E318-S322 VanDerWaalsContact O-CB 3.23Å; E318-S322 WeakPolarHBondContact O-CB 3.24Å; E318-S322 PolarHBondContact O-N 2.88Å |
| 319 | M | 38.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.5 | -41.1 | 176.7 | -156.4 | -168.6 | -47.2 | 0 | 0 | 111.7 | C315 S322 V323 | C315-M319 PolarHBondContact O-N 3.02Å; C315-M319 VanDerWaalsContact O-N 3.12Å; M319-S322 PolarHBondContact O-N 3Å; M319-V323 WeakPolarHBondContact O-CG2 3.38Å; M319-V323 PolarHBondContact O-N 3.4Å |
| 320 | L | 40.1 | Very low | 38.3 | Very low | 123 Ų | 123 | 100.4 Ų | 100.4 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 173.5 | -77 | 167.9 | 0 | 0 | 0 | 111.5 | S322 V324 | L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.33Å; L320-V324 WeakPolarHBondContact O-CB 3.24Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 2.81Å; L320-V324 VanDerWaalsContact O-N 3.07Å |
| 321 | C | 37.8 | Very low | 39 | Very low | 82 Ų | 82 | 101.1 Ų | 101.1 | 55% | 0.554 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 175.8 | -132.2 | 0 | 0 | 0 | 0 | 111.7 | L317 E318 T325 | L317-C321 WeakPolarHBondContact O-CB 3.28Å; L317-C321 PolarHBondContact O-N 2.97Å; E318-C321 PolarHBondContact O-N 3.47Å; C321-T325 VanDerWaalsContact O-CB 3.3Å; C321-T325 WeakPolarHBondContact O-CB 3.31Å; C321-T325 WeakPolarHBondContact O-CG2 3.44Å; C321-T325 PolarHBondContact O-N 2.84Å; C321-T325 PolarHBondContact O-OG1 3.35Å |
| 322 | S | 34.6 | Very low | 40 | Very low | 64 Ų | 64 | 98.2 Ų | 98.2 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70 | -41.6 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | E318 M319 L320 T325 T326 | E318-S322 VanDerWaalsContact O-CB 3.23Å; E318-S322 WeakPolarHBondContact O-CB 3.24Å; E318-S322 PolarHBondContact O-N 2.88Å; M319-S322 PolarHBondContact O-N 3Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.33Å; S322-T325 WeakPolarHBondContact CA-OG1 3.45Å; S322-T325 PolarHBondContact O-N 3.39Å; S322-T325 PolarHBondContact O-OG1 3.21Å; S322-T326 WeakPolarHBondContact O-CB 3.4Å; S322-T326 WeakPolarHBondContact O-CG2 3.3Å; S322-T326 PolarHBondContact O-N 2.79Å; S322-T326 PolarHBondContact O-OG1 3.15Å |
| 323 | V | 41.1 | Very low | 40.4 | Very low | 82 Ų | 82 | 98.2 Ų | 98.2 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | M319 T326 C327 | M319-V323 WeakPolarHBondContact O-CG2 3.38Å; M319-V323 PolarHBondContact O-N 3.4Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-OG1 3.34Å; V323-C327 WeakPolarHBondContact O-CB 3.46Å; V323-C327 PolarHBondContact O-N 2.9Å; V323-C327 PolarHBondContact O-SG 3.14Å; V323-C327 VanDerWaalsContact O-SG 3.38Å |
| 324 | V | 43.9 | Very low | 41.2 | Very low | 100 Ų | 100 | 98.7 Ų | 98.7 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.5 | -41.9 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L320 C327 A328 | L320-V324 WeakPolarHBondContact O-CB 3.24Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 2.81Å; L320-V324 VanDerWaalsContact O-N 3.07Å; V324-C327 PolarHBondContact O-N 3.03Å; V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.29Å; V324-A328 PolarHBondContact O-N 2.96Å |
| 325 | T | 40.6 | Very low | 42 | Very low | 69 Ų | 69 | 100.5 Ų | 100.5 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 177.6 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | C321 S322 A328 Y329 | C321-T325 VanDerWaalsContact O-CB 3.3Å; C321-T325 WeakPolarHBondContact O-CB 3.31Å; C321-T325 WeakPolarHBondContact O-CG2 3.44Å; C321-T325 PolarHBondContact O-N 2.84Å; C321-T325 PolarHBondContact O-OG1 3.35Å; S322-T325 WeakPolarHBondContact CA-OG1 3.45Å; S322-T325 PolarHBondContact O-N 3.39Å; S322-T325 PolarHBondContact O-OG1 3.21Å; T325-A328 PolarHBondContact O-N 3.1Å; T325-Y329 VanDerWaalsContact O-CB 3.3Å; T325-Y329 WeakPolarHBondContact O-CB 3.28Å; T325-Y329 PolarHBondContact O-N 3.45Å |
| 326 | T | 41.5 | Very low | 42.5 | Very low | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 173.2 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | S322 V323 S330 | S322-T326 WeakPolarHBondContact O-CB 3.4Å; S322-T326 WeakPolarHBondContact O-CG2 3.3Å; S322-T326 PolarHBondContact O-N 2.79Å; S322-T326 PolarHBondContact O-OG1 3.15Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-OG1 3.34Å; T326-S330 VanDerWaalsContact O-CB 3.28Å; T326-S330 WeakPolarHBondContact O-CB 3.36Å; T326-S330 PolarHBondContact O-N 3.25Å; T326-S330 PolarHBondContact O-OG 3.41Å |
| 327 | C | 42.6 | Very low | 42.5 | Very low | 66 Ų | 66 | 97.7 Ų | 97.7 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 169.5 | -78.3 | 0 | 0 | 0 | 0 | 111 | V323 V324 Y329 S330 Q331 | V323-C327 WeakPolarHBondContact O-CB 3.46Å; V323-C327 PolarHBondContact O-N 2.9Å; V323-C327 PolarHBondContact O-SG 3.14Å; V323-C327 VanDerWaalsContact O-SG 3.38Å; V324-C327 PolarHBondContact O-N 3.03Å; C327-Y329 PolarHBondContact O-N 2.87Å; C327-S330 PolarHBondContact O-N 3.33Å; C327-S330 PolarHBondContact O-OG 3.31Å; C327-Q331 WeakPolarHBondContact O-CG 3.48Å; C327-Q331 PolarHBondContact O-N 3.42Å |
| 328 | A | 42.5 | Very low | 43.1 | Very low | 41 Ų | 41 | 96 Ų | 96 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V324 T325 Q331 I332 | V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.29Å; V324-A328 PolarHBondContact O-N 2.96Å; T325-A328 PolarHBondContact O-N 3.1Å; A328-Q331 PolarHBondContact O-N 3.45Å; A328-I332 VanDerWaalsContact O-CG1 3.24Å; A328-I332 WeakPolarHBondContact O-CG1 3.44Å; A328-I332 PolarHBondContact O-N 2.88Å |
| 329 | Y | 40.5 | Very low | 43.8 | Very low | 157 Ų | 157 | 94.5 Ų | 94.5 | 62% | 0.616 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 176.4 | -104.7 | -85.4 | 0 | 0 | 0 | 112.3 | T325 C327 Q331 I332 I333 | T325-Y329 VanDerWaalsContact O-CB 3.3Å; T325-Y329 WeakPolarHBondContact O-CB 3.28Å; T325-Y329 PolarHBondContact O-N 3.45Å; C327-Y329 PolarHBondContact O-N 2.87Å; Y329-Q331 VanDerWaalsContact C-N 3.29Å; Y329-Q331 PolarHBondContact O-N 2.97Å; Y329-I332 PolarHBondContact O-N 3.05Å; Y329-I333 HydrophobicContact CD1-CD1 4.41Å; Y329-I333 WeakPolarHBondContact O-CB 3.47Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.28Å; Y329-I333 PolarHBondContact O-N 2.74Å |
| 330 | S | 45.6 | Very low | 44.1 | Very low | 67 Ų | 67 | 92.3 Ų | 92.3 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 176.2 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | T326 C327 F334 | T326-S330 VanDerWaalsContact O-CB 3.28Å; T326-S330 WeakPolarHBondContact O-CB 3.36Å; T326-S330 PolarHBondContact O-N 3.25Å; T326-S330 PolarHBondContact O-OG 3.41Å; C327-S330 PolarHBondContact O-N 3.33Å; C327-S330 PolarHBondContact O-OG 3.31Å; S330-F334 VanDerWaalsContact O-CB 3.26Å; S330-F334 WeakPolarHBondContact O-CB 3.38Å; S330-F334 PolarHBondContact O-N 3.41Å |
| 331 | Q | 50.6 | Low | 44.5 | Very low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.3 | -41.9 | 173.5 | -71.1 | 179.3 | 0.6 | 0 | 0 | 111.8 | C327 A328 Y329 F334 L335 | C327-Q331 WeakPolarHBondContact O-CG 3.48Å; C327-Q331 PolarHBondContact O-N 3.42Å; A328-Q331 PolarHBondContact O-N 3.45Å; Y329-Q331 VanDerWaalsContact C-N 3.29Å; Y329-Q331 PolarHBondContact O-N 2.97Å; Q331-F334 PolarHBondContact O-N 2.83Å; Q331-L335 WeakPolarHBondContact O-CB 3.33Å; Q331-L335 WeakPolarHBondContact O-CD1 3.49Å; Q331-L335 PolarHBondContact O-N 3.05Å |
| 332 | I | 51.6 | Low | 44.8 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.7 | -67.9 | 164.1 | 0 | 0 | 0 | 111 | A328 Y329 F334 L335 E336 | A328-I332 VanDerWaalsContact O-CG1 3.24Å; A328-I332 WeakPolarHBondContact O-CG1 3.44Å; A328-I332 PolarHBondContact O-N 2.88Å; Y329-I332 PolarHBondContact O-N 3.05Å; I332-F334 VanDerWaalsContact C-N 3.29Å; I332-F334 PolarHBondContact O-N 3.29Å; I332-L335 PolarHBondContact O-N 3.06Å; I332-E336 HydrophobicContact CG2-CG 4.37Å; I332-E336 WeakPolarHBondContact O-CB 3.26Å; I332-E336 PolarHBondContact O-N 2.84Å |
| 333 | I | 46 | Very low | 45.3 | Very low | 105 Ų | 105 | 95.4 Ų | 95.4 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 176.8 | -66.6 | 168.2 | 0 | 0 | 0 | 110.7 | Y329 G337 | Y329-I333 HydrophobicContact CD1-CD1 4.41Å; Y329-I333 WeakPolarHBondContact O-CB 3.47Å; Y329-I333 VanDerWaalsContact O-CG1 3.28Å; Y329-I333 WeakPolarHBondContact O-CG1 3.28Å; Y329-I333 PolarHBondContact O-N 2.74Å; I333-G337 PolarHBondContact O-N 3.17Å |
| 334 | F | 49.4 | Very low | 45.3 | Very low | 144 Ų | 144 | 102.7 Ų | 102.7 | 63% | 0.632 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -40.3 | 175.9 | -163.7 | -97.7 | 0 | 0 | 0 | 111.8 | S330 Q331 I332 L338 | S330-F334 VanDerWaalsContact O-CB 3.26Å; S330-F334 WeakPolarHBondContact O-CB 3.38Å; S330-F334 PolarHBondContact O-N 3.41Å; Q331-F334 PolarHBondContact O-N 2.83Å; I332-F334 VanDerWaalsContact C-N 3.29Å; I332-F334 PolarHBondContact O-N 3.29Å; F334-L338 HydrophobicContact CD1-CD1 3.74Å; F334-L338 HydrophobicContact CD1-CG 4.46Å; F334-L338 HydrophobicContact CE1-CD1 3.61Å; F334-L338 HydrophobicContact CE1-CG 4.35Å; F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 WeakPolarHBondContact O-CG 3.33Å; F334-L338 PolarHBondContact O-N 2.75Å |
| 335 | L | 54 | Low | 45.4 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -43.2 | 174.2 | -93.8 | 140 | 0 | 0 | 0 | 112.5 | Q331 I332 L338 L339 | Q331-L335 WeakPolarHBondContact O-CB 3.33Å; Q331-L335 WeakPolarHBondContact O-CD1 3.49Å; Q331-L335 PolarHBondContact O-N 3.05Å; I332-L335 PolarHBondContact O-N 3.06Å; L335-L338 PolarHBondContact O-N 3.28Å; L335-L339 PolarHBondContact O-N 2.76Å |
| 336 | E | 44.7 | Very low | 45.6 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.4 | -37.7 | 175.2 | -76 | -171.1 | 164.1 | 0 | 0 | 112 | I332 L339 A340 | I332-E336 HydrophobicContact CG2-CG 4.37Å; I332-E336 WeakPolarHBondContact O-CB 3.26Å; I332-E336 PolarHBondContact O-N 2.84Å; E336-L339 PolarHBondContact O-N 2.94Å; E336-A340 WeakPolarHBondContact O-CB 3.38Å; E336-A340 PolarHBondContact O-N 3.44Å |
| 337 | G | 36.8 | Very low | 45.9 | Very low | 37 Ų | 37 | 105.9 Ų | 105.9 | 38% | 0.381 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I333 C341 | I333-G337 PolarHBondContact O-N 3.17Å; G337-C341 WeakPolarHBondContact O-CB 3.43Å; G337-C341 PolarHBondContact O-N 3.1Å |
| 338 | L | 49.4 | Very low | 46 | Very low | 101 Ų | 101 | 108.3 Ų | 108.3 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -41.1 | 173 | -76.9 | 168.6 | 0 | 0 | 0 | 112.1 | F334 L335 C341 S342 | F334-L338 HydrophobicContact CD1-CD1 3.74Å; F334-L338 HydrophobicContact CD1-CG 4.46Å; F334-L338 HydrophobicContact CE1-CD1 3.61Å; F334-L338 HydrophobicContact CE1-CG 4.35Å; F334-L338 WeakPolarHBondContact O-CB 3.47Å; F334-L338 WeakPolarHBondContact O-CG 3.33Å; F334-L338 PolarHBondContact O-N 2.75Å; L335-L338 PolarHBondContact O-N 3.28Å; L338-C341 PolarHBondContact O-N 3.1Å; L338-S342 PolarHBondContact O-N 3.22Å; L338-S342 VanDerWaalsContact O-N 3.17Å |
| 339 | L | 47.6 | Very low | 46.3 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -44 | 175.1 | -83.7 | 158.5 | 0 | 0 | 0 | 112.1 | L335 E336 C341 S342 L343 | L335-L339 PolarHBondContact O-N 2.76Å; E336-L339 PolarHBondContact O-N 2.94Å; L339-C341 VanDerWaalsContact C-N 3.33Å; L339-C341 PolarHBondContact O-N 3.46Å; L339-S342 PolarHBondContact O-N 3.11Å; L339-S342 VanDerWaalsContact O-N 3.11Å; L339-S342 PolarHBondContact O-OG 2.93Å; L339-L343 PolarHBondContact O-N 3.1Å |
| 340 | A | 45.5 | Very low | 46.7 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -35.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E336 S342 | E336-A340 WeakPolarHBondContact O-CB 3.38Å; E336-A340 PolarHBondContact O-N 3.44Å; A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.44Å |
| 341 | C | 47.5 | Very low | 46.7 | Very low | 98 Ų | 98 | 112.6 Ų | 112.6 | 66% | 0.662 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.2 | -18.3 | 173.9 | -80.2 | 0 | 0 | 0 | 0 | 114.1 | G337 L338 L339 | G337-C341 WeakPolarHBondContact O-CB 3.43Å; G337-C341 PolarHBondContact O-N 3.1Å; L338-C341 PolarHBondContact O-N 3.1Å; L339-C341 VanDerWaalsContact C-N 3.33Å; L339-C341 PolarHBondContact O-N 3.46Å |
| 342 | S | 44.8 | Very low | 46.4 | Very low | 83 Ų | 83 | 111.3 Ų | 111.3 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87.8 | -12 | 177.8 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | L338 L339 A340 | L338-S342 PolarHBondContact O-N 3.22Å; L338-S342 VanDerWaalsContact O-N 3.17Å; L339-S342 PolarHBondContact O-N 3.11Å; L339-S342 VanDerWaalsContact O-N 3.11Å; L339-S342 PolarHBondContact O-OG 2.93Å; A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.44Å |
| 343 | L | 45.3 | Very low | 46 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 80% | 0.801 | 62% | 0.622 | S | S | * | * | trans | -103 | 1 | -179.5 | -85 | 159.1 | 0 | 0 | 0 | 114.1 | L339 | L339-L343 PolarHBondContact O-N 3.1Š| ||
| 344 | Q | 41 | Very low | 46 | Very low | 234 Ų | 234 | 114.1 Ų | 114.1 | 100% | 1.093 | 63% | 0.63 | S | S | * | * | trans | -98.3 | 0 | 162.7 | -82.8 | -174.7 | -19.8 | 0 | 0 | 109.7 |
Retrieved 344 of 344 residues in 290.9 ms
(Link to these results)