| 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 | 44.8 | Very low | 61.1 | Low | 238 Ų | 238 | 129.8 Ų | 129.8 | 100% | 1.172 | 66% | 0.661 | S | S | * | * | 0 | 97.2 | 0 | -58.5 | 178.8 | -160.1 | 0 | 0 | 107.2 | R3 | M1-R3 PolarHBondContact O-N 2.95Å; M1-R3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | A | 50.9 | Low | 61.5 | Low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 66% | 0.656 | S | S | * | * | trans | -68 | 109.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V4 | A2-V4 PolarHBondContact O-N 3.11Š| ||
| 3 | R | 59.4 | Low | 61.7 | Low | 241 Ų | 241 | 128 Ų | 128 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -70.5 | 90.5 | 167.4 | -68.7 | 178.8 | 178.8 | 150.9 | -0.7 | 105.9 | M1 P5 | M1-R3 PolarHBondContact O-N 2.95Å; M1-R3 VanDerWaalsContact O-N 3.11Å; R3-P5 WeakPolarHBondContact O-CD 3.19Å | ||
| 4 | V | 59.7 | Low | 61.7 | Low | 100 Ų | 100 | 126.9 Ų | 126.9 | 61% | 0.606 | 64% | 0.641 | S | S | * | * | trans | -55.8 | 114.5 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | A2 W6 F8 | A2-V4 PolarHBondContact O-N 3.11Å; V4-W6 PolarHBondContact O-N 2.9Å; V4-F8 HydrophobicContact CG1-CB 3.77Å | ||
| 5 | P | 69.2 | Low | 61.8 | Low | 65 Ų | 65 | 124.7 Ų | 124.7 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | trans | -58.2 | 134.9 | -176.1 | -18 | 27.7 | 0 | 0 | 0 | 107.5 | R3 T7 F8 | R3-P5 WeakPolarHBondContact O-CD 3.19Å; P5-T7 WeakPolarHBondContact CB-OG1 3.38Å; P5-T7 PolarHBondContact O-N 3.29Å; P5-F8 HydrophobicContact CB-CD2 3.83Å; P5-F8 HydrophobicContact CB-CE2 4.38Å; P5-F8 HydrophobicContact CG-CD2 3.53Å; P5-F8 HydrophobicContact CG-CE2 3.79Å; P5-F8 WeakPolarHBondContact O-CB 3.38Å; P5-F8 PolarHBondContact O-N 2.84Å | ||
| 6 | W | 61.1 | Low | 61.6 | Low | 199 Ų | 199 | 124.1 Ų | 124.1 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.1 | -26.7 | -175.1 | -155.4 | -8.9 | 0 | 0 | 0 | 111.9 | V4 F8 S9 M10 | V4-W6 PolarHBondContact O-N 2.9Å; W6-F8 PolarHBondContact O-N 3.25Å; W6-S9 PolarHBondContact O-N 3.45Å; W6-M10 WeakPolarHBondContact O-CB 3.44Å; W6-M10 WeakPolarHBondContact O-CG 3.15Å; W6-M10 PolarHBondContact O-N 2.92Å |
| 7 | T | 62 | Low | 61.2 | Low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -56.7 | -40.8 | 170.4 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | P5 L11 | P5-T7 WeakPolarHBondContact CB-OG1 3.38Å; P5-T7 PolarHBondContact O-N 3.29Å; T7-L11 WeakPolarHBondContact O-CB 3.34Å; T7-L11 PolarHBondContact O-N 3.46Å |
| 8 | F | 64.2 | Low | 60.5 | Low | 129 Ų | 129 | 123.1 Ų | 123.1 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.7 | -38.7 | 175.8 | -78.9 | -90.5 | 0 | 0 | 0 | 112.1 | V4 P5 W6 L11 F12 | V4-F8 HydrophobicContact CG1-CB 3.77Å; P5-F8 HydrophobicContact CB-CD2 3.83Å; P5-F8 HydrophobicContact CB-CE2 4.38Å; P5-F8 HydrophobicContact CG-CD2 3.53Å; P5-F8 HydrophobicContact CG-CE2 3.79Å; P5-F8 WeakPolarHBondContact O-CB 3.38Å; P5-F8 PolarHBondContact O-N 2.84Å; W6-F8 PolarHBondContact O-N 3.25Å; F8-L11 PolarHBondContact O-N 2.85Å; F8-F12 WeakPolarHBondContact O-CB 3.18Å; F8-F12 PolarHBondContact O-N 2.77Å |
| 9 | S | 69.8 | Low | 60.1 | Low | 56 Ų | 56 | 123.5 Ų | 123.5 | 39% | 0.392 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.2 | -40.8 | 175 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | W6 F12 L13 | W6-S9 PolarHBondContact O-N 3.45Å; S9-F12 PolarHBondContact O-N 2.75Å; S9-L13 WeakPolarHBondContact O-CB 3.02Å; S9-L13 WeakPolarHBondContact O-CG 3.43Å; S9-L13 PolarHBondContact O-N 2.79Å |
| 10 | M | 63.5 | Low | 59.9 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 47% | 0.473 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.9 | -39.4 | 174.8 | -75.1 | -71.7 | 173.5 | 0 | 0 | 112.2 | W6 L13 L14 | W6-M10 WeakPolarHBondContact O-CB 3.44Å; W6-M10 WeakPolarHBondContact O-CG 3.15Å; W6-M10 PolarHBondContact O-N 2.92Å; M10-L13 PolarHBondContact O-N 2.8Å; M10-L14 VanDerWaalsContact O-CB 3.29Å; M10-L14 WeakPolarHBondContact O-CB 3.29Å; M10-L14 WeakPolarHBondContact O-CD1 3.49Å; M10-L14 WeakPolarHBondContact O-CG 3.44Å; M10-L14 PolarHBondContact O-N 2.82Å |
| 11 | L | 67.8 | Low | 58.9 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.7 | -39.8 | 175.6 | -162.3 | 77.2 | 0 | 0 | 0 | 110.8 | T7 F8 L14 V15 | T7-L11 WeakPolarHBondContact O-CB 3.34Å; T7-L11 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 2.85Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 3.33Å |
| 12 | F | 65.4 | Low | 59.2 | Low | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.9 | -42.1 | 176.3 | -165.8 | -101.8 | 0 | 0 | 0 | 111.5 | F8 S9 V15 L16 | F8-F12 WeakPolarHBondContact O-CB 3.18Å; F8-F12 PolarHBondContact O-N 2.77Å; S9-F12 PolarHBondContact O-N 2.75Å; F12-V15 PolarHBondContact O-N 3.43Å; F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CD2 4.46Å; F12-L16 HydrophobicContact CD2-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.42Å; F12-L16 VanDerWaalsContact CE1-CD1 3.42Å; F12-L16 HydrophobicContact CE1-CD2 3.9Å; F12-L16 HydrophobicContact CE1-CG 4.31Å; F12-L16 HydrophobicContact CE2-CD1 3.84Å; F12-L16 HydrophobicContact CG-CD1 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.49Å; F12-L16 VanDerWaalsContact CZ-CD1 3.49Å; F12-L16 HydrophobicContact CZ-CD2 4.47Å; F12-L16 WeakPolarHBondContact O-CB 3.23Å; F12-L16 VanDerWaalsContact O-CD1 3.29Å; F12-L16 WeakPolarHBondContact O-CD1 3.4Å; F12-L16 PolarHBondContact O-N 3.35Å |
| 13 | L | 64.6 | Low | 58.8 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.7 | -42.9 | 171.3 | -75.9 | 171.5 | 0 | 0 | 0 | 111.6 | S9 M10 V15 L16 H17 | S9-L13 WeakPolarHBondContact O-CB 3.02Å; S9-L13 WeakPolarHBondContact O-CG 3.43Å; S9-L13 PolarHBondContact O-N 2.79Å; M10-L13 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.46Å; L13-H17 WeakPolarHBondContact O-CA 3.49Å; L13-H17 WeakPolarHBondContact O-CB 3.35Å; L13-H17 PolarHBondContact O-N 3.5Å |
| 14 | L | 61.7 | Low | 57.8 | Low | 112 Ų | 112 | 107.6 Ų | 107.6 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.2 | -39.7 | 174.6 | -84.1 | 160 | 0 | 0 | 0 | 111.4 | M10 L11 H17 S18 | M10-L14 VanDerWaalsContact O-CB 3.29Å; M10-L14 WeakPolarHBondContact O-CB 3.29Å; M10-L14 WeakPolarHBondContact O-CD1 3.49Å; M10-L14 WeakPolarHBondContact O-CG 3.44Å; M10-L14 PolarHBondContact O-N 2.82Å; L11-L14 PolarHBondContact O-N 2.86Å; L14-H17 CarbonylContact O-C 3.53Å; L14-S18 WeakPolarHBondContact O-CA 3.1Å; L14-S18 WeakPolarHBondContact O-CB 3.11Å; L14-S18 PolarHBondContact O-N 2.53Å; L14-S18 PolarHBondContact O-OG 2.77Å |
| 15 | V | 62.3 | Low | 56.8 | Low | 95 Ų | 95 | 108.9 Ų | 108.9 | 58% | 0.576 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.5 | -43.8 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L11 F12 L13 H17 S18 | L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.29Å; L11-V15 PolarHBondContact O-N 3.33Å; F12-V15 PolarHBondContact O-N 3.43Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact C-N 3.32Å; V15-H17 PolarHBondContact O-N 3.49Å; V15-S18 PolarHBondContact O-N 3.4Å |
| 16 | L | 59 | Low | 55.5 | Low | 115 Ų | 115 | 110.4 Ų | 110.4 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.7 | -29.6 | 176.7 | -94.7 | 75.3 | 0 | 0 | 0 | 112.8 | F12 L13 | F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CD2 4.46Å; F12-L16 HydrophobicContact CD2-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.42Å; F12-L16 VanDerWaalsContact CE1-CD1 3.42Å; F12-L16 HydrophobicContact CE1-CD2 3.9Å; F12-L16 HydrophobicContact CE1-CG 4.31Å; F12-L16 HydrophobicContact CE2-CD1 3.84Å; F12-L16 HydrophobicContact CG-CD1 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.49Å; F12-L16 VanDerWaalsContact CZ-CD1 3.49Å; F12-L16 HydrophobicContact CZ-CD2 4.47Å; F12-L16 WeakPolarHBondContact O-CB 3.23Å; F12-L16 VanDerWaalsContact O-CD1 3.29Å; F12-L16 WeakPolarHBondContact O-CD1 3.4Å; F12-L16 PolarHBondContact O-N 3.35Å; L13-L16 PolarHBondContact O-N 3.46Å |
| 17 | H | 55.3 | Low | 54.6 | Low | 166 Ų | 166 | 108.6 Ų | 108.6 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 2.8 | -179.8 | -140.8 | 77.8 | 0 | 0 | 0 | 112.7 | L13 L14 V15 P19 | L13-H17 WeakPolarHBondContact O-CA 3.49Å; L13-H17 WeakPolarHBondContact O-CB 3.35Å; L13-H17 PolarHBondContact O-N 3.5Å; L14-H17 CarbonylContact O-C 3.53Å; V15-H17 VanDerWaalsContact C-N 3.32Å; V15-H17 PolarHBondContact O-N 3.49Å; H17-P19 WeakPolarHBondContact O-CD 3.41Å |
| 18 | S | 48.3 | Very low | 53.7 | Low | 64 Ų | 64 | 110.8 Ų | 110.8 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | trans | -83.1 | 110.4 | 165.2 | -72.3 | 0 | 0 | 0 | 0 | 107.4 | L14 V15 G20 | L14-S18 WeakPolarHBondContact O-CA 3.1Å; L14-S18 WeakPolarHBondContact O-CB 3.11Å; L14-S18 PolarHBondContact O-N 2.53Å; L14-S18 PolarHBondContact O-OG 2.77Å; V15-S18 PolarHBondContact O-N 3.4Å; S18-G20 PolarHBondContact O-N 2.78Å | ||
| 19 | P | 53.2 | Low | 52.7 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 85% | 0.851 | 64% | 0.637 | S | S | * | * | trans | -70.2 | 70.1 | 153.5 | 31.6 | -31.5 | 0 | 0 | 0 | 107.3 | H17 | H17-P19 WeakPolarHBondContact O-CD 3.41Š| ||
| 20 | G | 56 | Low | 51.6 | Low | 67 Ų | 67 | 112.3 Ų | 112.3 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -115.7 | 44.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S18 | S18-G20 PolarHBondContact O-N 2.78Š| ||
| 21 | A | 38.1 | Very low | 51.5 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 74% | 0.744 | 64% | 0.643 | S | S | * | * | trans | -139.7 | 81.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L23 | A21-L23 PolarHBondContact O-N 3.43Š| ||
| 22 | S | 51.3 | Low | 50.4 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -68.5 | 85.8 | 158.1 | -157.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 23 | L | 42 | Very low | 49.4 | Very low | 175 Ų | 175 | 109.6 Ų | 109.6 | 92% | 0.916 | 65% | 0.653 | S | S | * | * | trans | -130.4 | 52.3 | 160.7 | -120.6 | 112.9 | 0 | 0 | 0 | 108.6 | A21 | A21-L23 PolarHBondContact O-N 3.43Š| ||
| 24 | A | 38.3 | Very low | 48.7 | Very low | 49 Ų | 49 | 109.9 Ų | 109.9 | 41% | 0.405 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -158.2 | 126.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | N26 | A24-N26 HydrophobicContact CB-CB 4.18Å; A24-N26 PolarHBondContact O-N 3.13Å |
| 25 | P | 40.5 | Very low | 48 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -76.2 | 66.7 | 165.3 | 34.9 | -30.8 | 0 | 0 | 0 | 107.2 | ||
| 26 | N | 41.1 | Very low | 47.4 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 65% | 0.649 | S | S | . | * | trans | -140.2 | 43.8 | -179.3 | -76 | -55.6 | 0 | 0 | 0 | 110.2 | A24 | A24-N26 HydrophobicContact CB-CB 4.18Å; A24-N26 PolarHBondContact O-N 3.13Å | ||
| 27 | Q | 41.9 | Very low | 47 | Very low | 161 Ų | 161 | 105.4 Ų | 105.4 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -97.4 | 118.5 | 158 | -72.7 | -168.7 | -0.2 | 0 | 0 | 108.1 | L29 | Q27-L29 PolarHBondContact O-N 2.94Å; Q27-L29 VanDerWaalsContact O-N 3.13Å |
| 28 | H | 43.9 | Very low | 46.8 | Very low | 146 Ų | 146 | 100.3 Ų | 100.3 | 68% | 0.676 | 62% | 0.615 | S | S | * | * | trans | -58.5 | 108.8 | -175.2 | -70.9 | -134.1 | 0 | 0 | 0 | 110.6 | C97 | H28-C97 PolarHBondContact CE1-O 3.23Š| ||
| 29 | L | 43 | Very low | 46.8 | Very low | 137 Ų | 137 | 105 Ų | 105 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | trans | -112.7 | 85.8 | 174.8 | -78.3 | 146.6 | 0 | 0 | 0 | 108.9 | Q27 | Q27-L29 PolarHBondContact O-N 2.94Å; Q27-L29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | C | 47.1 | Very low | 46.6 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 55% | 0.547 | 62% | 0.622 | S | S | . | * | trans | -88.5 | 115 | 171 | 179 | 0 | 0 | 0 | 0 | 109.2 | V93 | C30-V93 WeakPolarHBondContact SG-CG1 3.33Š| ||
| 31 | G | 60.2 | Low | 46.5 | Very low | 45 Ų | 45 | 110 Ų | 110 | 46% | 0.464 | 62% | 0.619 | S | S | . | * | S | Bend | trans | 109.3 | 142.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | H33 | G31-H33 PolarHBondContact O-N 3.18Š|
| 32 | S | 44.2 | Very low | 47.1 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 76% | 0.755 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 43.6 | -39.9 | 179.3 | 63 | 0 | 0 | 0 | 0 | 120.2 | L34 | S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 3.01Å |
| 33 | H | 46.1 | Very low | 47.3 | Very low | 130 Ų | 130 | 103.4 Ų | 103.4 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -85.3 | -3.6 | -173.2 | -127.4 | -74.1 | 0 | 0 | 0 | 114.7 | G31 A37 | G31-H33 PolarHBondContact O-N 3.18Å; H33-A37 PolarHBondContact O-N 3.09Å |
| 34 | L | 49.5 | Very low | 47.4 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -82.4 | -25.7 | 178.2 | -160.8 | 130.2 | 0 | 0 | 0 | 112 | S32 L38 | S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 3.01Å; L34-L38 HydrophobicContact CD2-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.25Å; L34-L38 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 46.8 | Very low | 48.1 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -77.7 | -34.7 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | L38 Y39 | V35-L38 PolarHBondContact O-N 3.3Å; V35-Y39 VanDerWaalsContact O-CB 3.24Å; V35-Y39 WeakPolarHBondContact O-CB 3.08Å; V35-Y39 PolarHBondContact O-N 2.72Å |
| 36 | D | 49.1 | Very low | 48.5 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.5 | -38.3 | 172.3 | -86.1 | -39.6 | 0 | 0 | 0 | 112.5 | Y39 F40 | D36-Y39 PolarHBondContact O-N 3.37Å; D36-F40 VanDerWaalsContact O-CB 3.29Å; D36-F40 WeakPolarHBondContact O-CB 3.46Å; D36-F40 PolarHBondContact O-N 2.84Å |
| 37 | A | 51.3 | Low | 49 | Very low | 42 Ų | 42 | 109 Ų | 109 | 35% | 0.347 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H33 F40 I41 | H33-A37 PolarHBondContact O-N 3.09Å; A37-F40 PolarHBondContact O-N 2.71Å; A37-I41 WeakPolarHBondContact O-CB 3.38Å; A37-I41 VanDerWaalsContact O-CD1 3.28Å; A37-I41 WeakPolarHBondContact O-CD1 3.24Å; A37-I41 WeakPolarHBondContact O-CG1 3.29Å; A37-I41 PolarHBondContact O-N 3.43Å |
| 38 | L | 51.3 | Low | 49.2 | Very low | 60 Ų | 60 | 111.2 Ų | 111.2 | 31% | 0.314 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -36.6 | 174.6 | -76.4 | 169.7 | 0 | 0 | 0 | 112.7 | L34 V35 F40 I41 C42 L106 | L34-L38 HydrophobicContact CD2-CD1 4.01Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.25Å; L34-L38 VanDerWaalsContact O-N 3.14Å; V35-L38 PolarHBondContact O-N 3.3Å; L38-F40 VanDerWaalsContact C-N 3.3Å; L38-I41 PolarHBondContact O-N 3.23Å; L38-C42 WeakPolarHBondContact O-CB 3.36Å; L38-C42 PolarHBondContact O-N 3.09Å; L38-L106 HydrophobicContact CD2-CD2 4.32Å |
| 39 | Y | 47 | Very low | 49.2 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -36.8 | 172.8 | -167.8 | -95.1 | 0 | 0 | 0 | 111.4 | V35 D36 G43 F47 | V35-Y39 VanDerWaalsContact O-CB 3.24Å; V35-Y39 WeakPolarHBondContact O-CB 3.08Å; V35-Y39 PolarHBondContact O-N 2.72Å; D36-Y39 PolarHBondContact O-N 3.37Å; Y39-G43 WeakPolarHBondContact O-CA 3.48Å; Y39-G43 PolarHBondContact O-N 3.19Å; Y39-F47 HydrophobicContact CD2-CE1 4.45Å |
| 40 | F | 49.3 | Very low | 49.1 | Very low | 184 Ų | 184 | 106.1 Ų | 106.1 | 81% | 0.807 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.8 | -35.1 | 175.7 | -163.2 | -97.8 | 0 | 0 | 0 | 113.2 | D36 A37 L38 | D36-F40 VanDerWaalsContact O-CB 3.29Å; D36-F40 WeakPolarHBondContact O-CB 3.46Å; D36-F40 PolarHBondContact O-N 2.84Å; A37-F40 PolarHBondContact O-N 2.71Å; L38-F40 VanDerWaalsContact C-N 3.3Å |
| 41 | I | 55.4 | Low | 49 | Very low | 121 Ų | 121 | 107.5 Ų | 107.5 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -82.6 | -40.7 | -177 | -65.5 | 162.7 | 0 | 0 | 0 | 112.1 | A37 L38 | A37-I41 WeakPolarHBondContact O-CB 3.38Å; A37-I41 VanDerWaalsContact O-CD1 3.28Å; A37-I41 WeakPolarHBondContact O-CD1 3.24Å; A37-I41 WeakPolarHBondContact O-CG1 3.29Å; A37-I41 PolarHBondContact O-N 3.43Å; L38-I41 PolarHBondContact O-N 3.23Å |
| 42 | C | 50.9 | Low | 48.5 | Very low | 13 Ų | 13 | 109.7 Ų | 109.7 | 9% | 0.088 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -83.3 | -20 | 175.3 | -106.2 | 0 | 0 | 0 | 0 | 113.1 | L38 E44 R45 C110 | L38-C42 WeakPolarHBondContact O-CB 3.36Å; L38-C42 PolarHBondContact O-N 3.09Å; C42-E44 PolarHBondContact O-N 3.14Å; C42-R45 WeakPolarHBondContact O-CB 3.39Å; C42-R45 PolarHBondContact O-N 3.11Å; C42-C110 PolarHBondContact SG-SG 2.81Å |
| 43 | G | 53.7 | Low | 48.6 | Very low | 44 Ų | 44 | 115.7 Ų | 115.7 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | 45 | -112.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y39 | Y39-G43 WeakPolarHBondContact O-CA 3.48Å; Y39-G43 PolarHBondContact O-N 3.19Å |
| 44 | E | 45.5 | Very low | 48.7 | Very low | 205 Ų | 205 | 116.2 Ų | 116.2 | 96% | 0.958 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -82.9 | -7.2 | -177.1 | -57.7 | -173.9 | 179 | 0 | 0 | 115.1 | C42 | C42-E44 PolarHBondContact O-N 3.14Š|
| 45 | R | 51.5 | Low | 48.6 | Very low | 194 Ų | 194 | 117.6 Ų | 117.6 | 73% | 0.732 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -83.4 | -15.6 | -177.1 | -61 | -175.1 | -169.7 | -111.5 | -2.8 | 113.4 | C42 N111 | C42-R45 WeakPolarHBondContact O-CB 3.39Å; C42-R45 PolarHBondContact O-N 3.11Å; R45-N111 WeakPolarHBondContact CD-O 3.12Å |
| 46 | G | 48.9 | Very low | 48.7 | Very low | 38 Ų | 38 | 120.8 Ų | 120.8 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | trans | 63.7 | 159.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 47 | F | 51.9 | Low | 48.9 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 56% | 0.557 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -121.2 | 101.9 | 171.8 | 58.5 | -82.6 | 0 | 0 | 0 | 106.4 | Y39 | Y39-F47 HydrophobicContact CD2-CE1 4.45Š|
| 48 | Y | 46.3 | Very low | 48.7 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 82% | 0.816 | 64% | 0.637 | S | S | * | * | trans | 152.5 | 82.2 | 163.6 | -148.9 | -100.6 | 0 | 0 | 0 | 106.2 | S50 | Y48-S50 VanDerWaalsContact C-N 3.25Å; Y48-S50 PolarHBondContact O-N 3.39Å | ||
| 49 | N | 43.8 | Very low | 48.6 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | trans | -71.1 | 92.4 | 170 | -159.7 | 9.4 | 0 | 0 | 0 | 107 | P51 N111 | N49-P51 WeakPolarHBondContact O-CD 3.17Å; N49-N111 PolarHBondContact ND2-ND2 2.87Å; N49-N111 VanDerWaalsContact ND2-ND2 3.16Å; N49-N111 PolarHBondContact ND2-OD1 3.13Å | ||
| 50 | S | 41.9 | Very low | 48.7 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 51% | 0.51 | 64% | 0.643 | S | S | . | * | trans | -79 | 105.2 | 165.8 | 56.3 | 0 | 0 | 0 | 0 | 106.8 | Y48 S52 | Y48-S50 VanDerWaalsContact C-N 3.25Å; Y48-S50 PolarHBondContact O-N 3.39Å; S50-S52 PolarHBondContact O-N 3.44Å | ||
| 51 | P | 44.3 | Very low | 49 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | trans | -78.3 | 28.6 | -174.4 | 36.1 | -35.5 | 0 | 0 | 0 | 111.1 | N49 R53 | N49-P51 WeakPolarHBondContact O-CD 3.17Å; P51-R53 PolarHBondContact O-N 2.9Å | ||
| 52 | S | 50.2 | Low | 49 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 7.9 | -159.7 | -150.8 | 0 | 0 | 0 | 0 | 114.4 | S50 | S50-S52 PolarHBondContact O-N 3.44Š|
| 53 | R | 46.6 | Very low | 49.3 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -7.8 | -172.8 | -67.3 | -92.5 | -156 | 167.1 | 7.2 | 115.4 | P51 | P51-R53 PolarHBondContact O-N 2.9Š|
| 54 | V | 48.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -115.5 | -15.4 | -174.8 | -173.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 55 | H | 47.2 | Very low | 49.9 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 63% | 0.63 | 64% | 0.64 | S | S | * | * | trans | -106.5 | 19.4 | -175.6 | -122.6 | 72.4 | 0 | 0 | 0 | 115.6 | R57 | H55-R57 PolarHBondContact O-N 2.81Å; H55-R57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | K | 49.3 | Very low | 50.1 | Low | 156 Ų | 156 | 125.2 Ų | 125.2 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 20.5 | -159.9 | -150.2 | -175.1 | 173.2 | 176.4 | 0 | 116.7 | ||
| 57 | R | 51.3 | Low | 50.5 | Low | 223 Ų | 223 | 125.8 Ų | 125.8 | 84% | 0.842 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -32.7 | 175 | -69.7 | -171.3 | -132.4 | 156.3 | 4.9 | 114.7 | H55 | H55-R57 PolarHBondContact O-N 2.81Å; H55-R57 VanDerWaalsContact O-N 3.13Å |
| 58 | D | 47.2 | Very low | 50.8 | Low | 133 Ų | 133 | 127.3 Ų | 127.3 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -17.2 | 178.9 | -58.3 | -56.4 | 0 | 0 | 0 | 113.3 | ||
| 59 | L | 49.8 | Very low | 51.3 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.9 | -23.4 | 178.1 | -169.6 | 61.1 | 0 | 0 | 0 | 113.2 | L63 | L59-L63 HydrophobicContact CB-CD1 4.39Å; L59-L63 HydrophobicContact CD1-CD1 4.41Å; L59-L63 HydrophobicContact CD1-CG 4.29Å; L59-L63 HydrophobicContact CD2-CD1 3.94Å; L59-L63 HydrophobicContact CG-CD1 3.55Å; L59-L63 HydrophobicContact CG-CG 3.94Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 WeakPolarHBondContact O-CD1 3.28Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 3.29Å |
| 60 | E | 50.4 | Low | 51.8 | Low | 136 Ų | 136 | 124 Ų | 124 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.8 | -36.2 | -178.3 | -77 | -145.8 | 106.7 | 0 | 0 | 113.4 | G64 | E60-G64 PolarHBondContact O-N 3.49Å |
| 61 | N | 55.5 | Low | 52.6 | Low | 136 Ų | 136 | 130.1 Ų | 130.1 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.7 | -38.7 | 178.5 | -80.3 | -0.3 | 0 | 0 | 0 | 112.1 | G64 F65 | N61-G64 PolarHBondContact O-N 2.75Å; N61-F65 WeakPolarHBondContact O-CD2 3.29Å; N61-F65 PolarHBondContact O-N 3.06Å |
| 62 | L | 55.4 | Low | 53.4 | Low | 115 Ų | 115 | 128 Ų | 128 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71 | -40.2 | 173.1 | -89.7 | 160.5 | 0 | 0 | 0 | 111.9 | G64 F65 L66 | L62-G64 VanDerWaalsContact C-N 3.27Å; L62-G64 PolarHBondContact O-N 3.08Å; L62-F65 PolarHBondContact O-N 2.99Å; L62-L66 WeakPolarHBondContact O-CG 3.07Å; L62-L66 PolarHBondContact O-N 3.14Å |
| 63 | L | 56.2 | Low | 53.6 | Low | 89 Ų | 89 | 127.9 Ų | 127.9 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.5 | -35.6 | 171.5 | -85.6 | 163.2 | 0 | 0 | 0 | 111.9 | L59 F65 L66 A67 | L59-L63 HydrophobicContact CB-CD1 4.39Å; L59-L63 HydrophobicContact CD1-CD1 4.41Å; L59-L63 HydrophobicContact CD1-CG 4.29Å; L59-L63 HydrophobicContact CD2-CD1 3.94Å; L59-L63 HydrophobicContact CG-CD1 3.55Å; L59-L63 HydrophobicContact CG-CG 3.94Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 WeakPolarHBondContact O-CD1 3.28Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 3.29Å; L63-F65 VanDerWaalsContact C-N 3.35Å; L63-F65 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-A67 WeakPolarHBondContact O-CB 3.35Å; L63-A67 PolarHBondContact O-N 3.35Å |
| 64 | G | 56.1 | Low | 54.2 | Low | 35 Ų | 35 | 120.6 Ų | 120.6 | 36% | 0.361 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.7 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | E60 N61 L62 K68 | E60-G64 PolarHBondContact O-N 3.49Å; N61-G64 PolarHBondContact O-N 2.75Å; L62-G64 VanDerWaalsContact C-N 3.27Å; L62-G64 PolarHBondContact O-N 3.08Å; G64-K68 WeakPolarHBondContact O-CG 3.35Å; G64-K68 PolarHBondContact O-N 3.13Å |
| 65 | F | 55.3 | Low | 54.7 | Low | 160 Ų | 160 | 123.3 Ų | 123.3 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.6 | -41.7 | 174.8 | -87.9 | -85.4 | 0 | 0 | 0 | 112.5 | N61 L62 L63 K68 R69 | N61-F65 WeakPolarHBondContact O-CD2 3.29Å; N61-F65 PolarHBondContact O-N 3.06Å; L62-F65 PolarHBondContact O-N 2.99Å; L63-F65 VanDerWaalsContact C-N 3.35Å; L63-F65 PolarHBondContact O-N 3.23Å; F65-K68 PolarHBondContact O-N 2.92Å; F65-R69 PolarHBondContact O-N 3.4Å |
| 66 | L | 56.2 | Low | 55.2 | Low | 101 Ų | 101 | 122 Ų | 122 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.8 | -34.9 | 178.1 | -66.6 | 175 | 0 | 0 | 0 | 112.2 | L62 L63 K68 R69 A70 | L62-L66 WeakPolarHBondContact O-CG 3.07Å; L62-L66 PolarHBondContact O-N 3.14Å; L63-L66 PolarHBondContact O-N 2.84Å; L66-K68 PolarHBondContact O-N 2.89Å; L66-R69 PolarHBondContact O-N 3.32Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.03Å |
| 67 | A | 58.4 | Low | 55.5 | Low | 49 Ų | 49 | 121.3 Ų | 121.3 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -36.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 R71 | L63-A67 WeakPolarHBondContact O-CB 3.35Å; L63-A67 PolarHBondContact O-N 3.35Å; A67-R71 WeakPolarHBondContact O-CG 3.48Å; A67-R71 PolarHBondContact O-N 3.38Å |
| 68 | K | 56.7 | Low | 55.8 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -41.1 | 173.8 | -73.7 | 178.2 | -177.7 | -179 | 0 | 111.5 | G64 F65 L66 | G64-K68 WeakPolarHBondContact O-CG 3.35Å; G64-K68 PolarHBondContact O-N 3.13Å; F65-K68 PolarHBondContact O-N 2.92Å; L66-K68 PolarHBondContact O-N 2.89Å |
| 69 | R | 56.7 | Low | 56.5 | Low | 195 Ų | 195 | 117.1 Ų | 117.1 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.1 | -40 | 176.4 | -160.8 | 171.7 | -174.8 | 166 | 0.6 | 112.1 | F65 L66 R71 A72 E73 | F65-R69 PolarHBondContact O-N 3.4Å; L66-R69 PolarHBondContact O-N 3.32Å; R69-R71 VanDerWaalsContact C-N 3.35Å; R69-R71 PolarHBondContact O-N 2.88Å; R69-A72 WeakPolarHBondContact O-CB 3.08Å; R69-A72 PolarHBondContact O-N 2.79Å; R69-A72 VanDerWaalsContact O-N 3.15Å; R69-E73 PolarHBondContact O-N 3.46Å |
| 70 | A | 55.1 | Low | 57 | Low | 49 Ų | 49 | 118.6 Ų | 118.6 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L66 A72 E73 E74 | L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.03Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.32Å; A70-E73 PolarHBondContact O-N 2.77Å; A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.33Å |
| 71 | R | 58.5 | Low | 57.2 | Low | 200 Ų | 200 | 115.3 Ų | 115.3 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -30.7 | 174.6 | -74.3 | -172.8 | -174.3 | -164.7 | 3.9 | 113.5 | A67 R69 R75 | A67-R71 WeakPolarHBondContact O-CG 3.48Å; A67-R71 PolarHBondContact O-N 3.38Å; R69-R71 VanDerWaalsContact C-N 3.35Å; R69-R71 PolarHBondContact O-N 2.88Å; R71-R75 PolarHBondContact O-N 3.42Å |
| 72 | A | 60.3 | Low | 57.2 | Low | 66 Ų | 66 | 113.3 Ų | 113.3 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.2 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R69 A70 R75 L76 | R69-A72 WeakPolarHBondContact O-CB 3.08Å; R69-A72 PolarHBondContact O-N 2.79Å; R69-A72 VanDerWaalsContact O-N 3.15Å; A70-A72 VanDerWaalsContact C-N 3.31Å; A70-A72 PolarHBondContact O-N 3.32Å; A72-R75 PolarHBondContact O-N 3.39Å; A72-L76 PolarHBondContact O-N 2.78Å |
| 73 | E | 56.2 | Low | 57.1 | Low | 88 Ų | 88 | 118.7 Ų | 118.7 | 41% | 0.411 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.9 | -34.8 | 177.4 | -155.6 | -169.4 | 163 | 0 | 0 | 112.2 | R69 A70 L76 R77 | R69-E73 PolarHBondContact O-N 3.46Å; A70-E73 PolarHBondContact O-N 2.77Å; E73-L76 PolarHBondContact O-N 3.5Å; E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 2.77Å; E73-R77 IonicContact OE1-CZ 3.1Å; E73-R77 IonicContact OE1-NH1 2.92Å; E73-R77 PolarHBondContact OE1-NH1 3.27Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.5Å; E73-R77 IonicContact OE2-NH1 3.5Å; E73-R77 PolarHBondContact OE2-NH1 3.07Å |
| 74 | E | 58.3 | Low | 56.8 | Low | 81 Ų | 81 | 121.1 Ų | 121.1 | 38% | 0.379 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63 | -39.9 | 174 | -178.5 | 76 | -164.4 | 0 | 0 | 111.5 | A70 R77 R78 | A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.33Å; E74-R77 PolarHBondContact O-N 3.23Å; E74-R78 WeakPolarHBondContact O-CB 3.19Å; E74-R78 VanDerWaalsContact O-CG 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.21Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE1-CZ 3.18Å; E74-R78 VanDerWaalsContact OE1-CZ 3.23Å; E74-R78 IonicContact OE1-NE 2.92Å; E74-R78 PolarHBondContact OE1-NE 2.87Å; E74-R78 IonicContact OE1-NH2 3.23Å; E74-R78 PolarHBondContact OE1-NH2 2.92Å |
| 75 | R | 58.5 | Low | 56.4 | Low | 197 Ų | 197 | 127.5 Ų | 127.5 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 174.6 | -80.7 | -175.8 | 176.2 | -175.9 | -1 | 111.6 | R71 A72 R78 V79 | R71-R75 PolarHBondContact O-N 3.42Å; A72-R75 PolarHBondContact O-N 3.39Å; R75-R78 PolarHBondContact O-N 3.06Å; R75-V79 WeakPolarHBondContact O-CG2 3.4Å; R75-V79 PolarHBondContact O-N 3.37Å |
| 76 | L | 58.5 | Low | 56.2 | Low | 110 Ų | 110 | 124.6 Ų | 124.6 | 58% | 0.576 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -42.3 | 175.1 | -174.4 | 63.6 | 0 | 0 | 0 | 111.6 | A72 E73 R78 V79 L80 | A72-L76 PolarHBondContact O-N 2.78Å; E73-L76 PolarHBondContact O-N 3.5Å; L76-R78 PolarHBondContact O-N 3.37Å; L76-V79 PolarHBondContact O-N 3.18Å; L76-L80 HydrophobicContact CG-CD1 4.25Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.99Å; L76-L80 VanDerWaalsContact O-N 3.08Å |
| 77 | R | 55.5 | Low | 55.8 | Low | 140 Ų | 140 | 129 Ų | 129 | 53% | 0.528 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 174.7 | -83.9 | -169.8 | 173.5 | 105 | 13.8 | 112.7 | E73 E74 L80 A81 | E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 2.77Å; E73-R77 IonicContact OE1-CZ 3.1Å; E73-R77 IonicContact OE1-NH1 2.92Å; E73-R77 PolarHBondContact OE1-NH1 3.27Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.5Å; E73-R77 IonicContact OE2-NH1 3.5Å; E73-R77 PolarHBondContact OE2-NH1 3.07Å; E74-R77 PolarHBondContact O-N 3.23Å; R77-L80 PolarHBondContact O-N 3.41Å; R77-A81 WeakPolarHBondContact O-CB 3.09Å; R77-A81 PolarHBondContact O-N 3.15Å |
| 78 | R | 57.7 | Low | 55.6 | Low | 160 Ų | 160 | 132.6 Ų | 132.6 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.6 | -35.4 | 176.7 | -74.5 | 179.6 | -167.4 | 168.4 | 3.1 | 113.1 | E74 R75 L76 L80 A82 | E74-R78 WeakPolarHBondContact O-CB 3.19Å; E74-R78 VanDerWaalsContact O-CG 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.21Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE1-CZ 3.18Å; E74-R78 VanDerWaalsContact OE1-CZ 3.23Å; E74-R78 IonicContact OE1-NE 2.92Å; E74-R78 PolarHBondContact OE1-NE 2.87Å; E74-R78 IonicContact OE1-NH2 3.23Å; E74-R78 PolarHBondContact OE1-NH2 2.92Å; R75-R78 PolarHBondContact O-N 3.06Å; L76-R78 PolarHBondContact O-N 3.37Å; R78-L80 VanDerWaalsContact C-N 3.29Å; R78-A82 PolarHBondContact O-N 3.44Å; R78-A82 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 60.6 | Low | 55.3 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.4 | -36 | 172.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | R75 L76 | R75-V79 WeakPolarHBondContact O-CG2 3.4Å; R75-V79 PolarHBondContact O-N 3.37Å; L76-V79 PolarHBondContact O-N 3.18Å |
| 80 | L | 60.5 | Low | 54.8 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.7 | -37.7 | 176.7 | -66.9 | 168.8 | 0 | 0 | 0 | 113 | L76 R77 R78 R83 | L76-L80 HydrophobicContact CG-CD1 4.25Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.99Å; L76-L80 VanDerWaalsContact O-N 3.08Å; R77-L80 PolarHBondContact O-N 3.41Å; R78-L80 VanDerWaalsContact C-N 3.29Å; L80-R83 WeakPolarHBondContact O-CB 3.4Å; L80-R83 PolarHBondContact O-N 3.03Å |
| 81 | A | 55.6 | Low | 54.2 | Low | 66 Ų | 66 | 134.6 Ų | 134.6 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -73.6 | -24 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R77 R83 D84 | R77-A81 WeakPolarHBondContact O-CB 3.09Å; R77-A81 PolarHBondContact O-N 3.15Å; A81-R83 PolarHBondContact O-N 2.85Å; A81-R83 VanDerWaalsContact O-N 3.09Å; A81-D84 PolarHBondContact O-N 3.06Å |
| 82 | A | 54.9 | Low | 53.8 | Low | 94 Ų | 94 | 132.9 Ų | 132.9 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -7.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R78 | R78-A82 PolarHBondContact O-N 3.44Å; R78-A82 VanDerWaalsContact O-N 3.11Å |
| 83 | R | 54.1 | Low | 53.1 | Low | 229 Ų | 229 | 133.5 Ų | 133.5 | 86% | 0.864 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -3.6 | 179.8 | -141.4 | -178.9 | -177.9 | 175.2 | 0.9 | 114.3 | L80 A81 | L80-R83 WeakPolarHBondContact O-CB 3.4Å; L80-R83 PolarHBondContact O-N 3.03Å; A81-R83 PolarHBondContact O-N 2.85Å; A81-R83 VanDerWaalsContact O-N 3.09Å |
| 84 | D | 48.7 | Very low | 52.7 | Low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -128 | 94.9 | 179.7 | -117.3 | -62.7 | 0 | 0 | 0 | 109.5 | A81 | A81-D84 PolarHBondContact O-N 3.06Š|
| 85 | E | 48.1 | Very low | 52 | Low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 144.6 | 170.2 | -95.2 | -82.2 | 104.3 | 0 | 0 | 111 | K87 | E85-K87 PolarHBondContact O-N 3.16Š| ||
| 86 | P | 51.2 | Low | 51.8 | Low | 98 Ų | 98 | 133.1 Ų | 133.1 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -79.3 | 109.4 | -160.9 | 31.4 | -32.9 | 0 | 0 | 0 | 112 | V88 | P86-V88 PolarHBondContact O-N 3.28Š| ||
| 87 | K | 46.8 | Very low | 51.4 | Low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -80.5 | 96.1 | 162.9 | -68.7 | -177.4 | -177.1 | 178.6 | 0 | 109.1 | E85 K89 | E85-K87 PolarHBondContact O-N 3.16Å; K87-K89 PolarHBondContact O-N 3.17Å | ||
| 88 | V | 55 | Low | 50.9 | Low | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | trans | -34.5 | 105 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | P86 | P86-V88 PolarHBondContact O-N 3.28Š| ||
| 89 | K | 49.5 | Very low | 50.2 | Low | 199 Ų | 199 | 130.8 Ų | 130.8 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | trans | -100.6 | 115.6 | 166.3 | -76.1 | -174.1 | 179.1 | -177.3 | 0 | 108.2 | K87 | K87-K89 PolarHBondContact O-N 3.17Š| ||
| 90 | R | 47.2 | Very low | 49.3 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -61 | 157.2 | -171.5 | -66 | 164.3 | 175.6 | -167.7 | -3.7 | 110.6 | ||||
| 91 | G | 42.9 | Very low | 48.7 | Very low | 52 Ų | 52 | 128.2 Ų | 128.2 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | trans | -61.5 | 179.1 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V93 E94 | G91-V93 PolarHBondContact O-N 2.75Å; G91-E94 PolarHBondContact O-N 3.38Å; G91-E94 VanDerWaalsContact O-N 3.09Å | ||
| 92 | I | 49.2 | Very low | 48.4 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -43.2 | -12.5 | 171.8 | -160.1 | 161 | 0 | 0 | 0 | 115.6 | E94 | I92-E94 VanDerWaalsContact C-N 3.26Å; I92-E94 PolarHBondContact O-N 3.4Å |
| 93 | V | 46.1 | Very low | 48.1 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -64.6 | -17.1 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 114 | C30 G91 C97 | C30-V93 WeakPolarHBondContact SG-CG1 3.33Å; G91-V93 PolarHBondContact O-N 2.75Å; V93-C97 WeakPolarHBondContact O-CB 3.24Å |
| 94 | E | 47.5 | Very low | 47.9 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 50% | 0.495 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -91 | -13.1 | -178.7 | -71.3 | -148.9 | -174.1 | 0 | 0 | 115.2 | G91 I92 | G91-E94 PolarHBondContact O-N 3.38Å; G91-E94 VanDerWaalsContact O-N 3.09Å; I92-E94 VanDerWaalsContact C-N 3.26Å; I92-E94 PolarHBondContact O-N 3.4Å |
| 95 | Q | 44.2 | Very low | 47.8 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 80% | 0.799 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -29.9 | -172 | -114 | 160.9 | -47.4 | 0 | 0 | 115.9 | ||
| 96 | C | 54.8 | Low | 48 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 55% | 0.554 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -1.2 | 171.5 | -88.9 | 0 | 0 | 0 | 0 | 114 | ||
| 97 | C | 49.6 | Very low | 47.9 | Very low | 49 Ų | 49 | 121.1 Ų | 121.1 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -26.9 | 174 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | H28 V93 | H28-C97 PolarHBondContact CE1-O 3.23Å; V93-C97 WeakPolarHBondContact O-CB 3.24Å |
| 98 | H | 45.5 | Very low | 48.1 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 70% | 0.704 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -97.8 | -13.1 | -177.8 | -83.7 | -80.6 | 0 | 0 | 0 | 115.2 | ||
| 99 | K | 41.2 | Very low | 47.8 | Very low | 159 Ų | 159 | 122 Ų | 122 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -143.7 | 127.3 | 168.5 | -68.4 | -172.8 | 179.7 | -177.6 | 0 | 109.1 | C101 | K99-C101 PolarHBondContact O-N 3.49Š|
| 100 | P | 43.1 | Very low | 47.7 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.1 | 177.6 | 27.3 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 101 | C | 48.1 | Very low | 47.7 | Very low | 67 Ų | 67 | 111.9 Ų | 111.9 | 45% | 0.453 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -87.5 | 135.2 | 171.7 | -68 | 0 | 0 | 0 | 0 | 109.4 | K99 | K99-C101 PolarHBondContact O-N 3.49Š|
| 102 | S | 48.2 | Very low | 47.9 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 149.6 | 176.9 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | H104 H105 | S102-H104 PolarHBondContact O-N 2.75Å; S102-H104 VanDerWaalsContact O-N 3.14Å; S102-H105 WeakPolarHBondContact O-CB 3.5Å; S102-H105 PolarHBondContact O-N 3.4Å |
| 103 | I | 48.8 | Very low | 47.8 | Very low | 127 Ų | 127 | 112.4 Ų | 112.4 | 65% | 0.651 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -54.4 | -32.3 | -179 | -72 | 165.9 | 0 | 0 | 0 | 112.9 | H105 L106 E107 | I103-H105 PolarHBondContact O-N 3.48Å; I103-H105 VanDerWaalsContact O-N 3.13Å; I103-L106 PolarHBondContact O-N 2.81Å; I103-E107 PolarHBondContact O-N 3.36Å |
| 104 | H | 49.9 | Very low | 47.9 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -62.5 | -18.5 | 177.1 | -67.2 | -57.7 | 0 | 0 | 0 | 114.4 | S102 E107 | S102-H104 PolarHBondContact O-N 2.75Å; S102-H104 VanDerWaalsContact O-N 3.14Å; H104-E107 IonicContact ND1-OE2 2.77Å; H104-E107 PolarHBondContact ND1-OE2 2.94Å |
| 105 | H | 47.5 | Very low | 48 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -88.6 | -17.3 | 177.3 | -143.1 | -27.1 | 0 | 0 | 0 | 113.1 | S102 I103 | S102-H105 WeakPolarHBondContact O-CB 3.5Å; S102-H105 PolarHBondContact O-N 3.4Å; I103-H105 PolarHBondContact O-N 3.48Å; I103-H105 VanDerWaalsContact O-N 3.13Å |
| 106 | L | 51 | Low | 48.2 | Very low | 80 Ų | 80 | 111.2 Ų | 111.2 | 42% | 0.419 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.1 | 174.2 | -81 | 87.3 | 0 | 0 | 0 | 112 | L38 I103 D108 Y109 | L38-L106 HydrophobicContact CD2-CD2 4.32Å; I103-L106 PolarHBondContact O-N 2.81Å; L106-D108 PolarHBondContact O-N 3.22Å; L106-Y109 PolarHBondContact O-N 3.4Å |
| 107 | E | 48.7 | Very low | 47.8 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 51% | 0.514 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -63.8 | -28.9 | 176.1 | -72.1 | 177.5 | 149.6 | 0 | 0 | 112.6 | I103 H104 Y109 C110 | I103-E107 PolarHBondContact O-N 3.36Å; H104-E107 IonicContact ND1-OE2 2.77Å; H104-E107 PolarHBondContact ND1-OE2 2.94Å; E107-Y109 PolarHBondContact O-N 3.39Å; E107-C110 PolarHBondContact O-N 3.44Å |
| 108 | D | 51 | Low | 47.6 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -67.8 | -14 | 173.5 | -72 | -22.4 | 0 | 0 | 0 | 113.8 | L106 | L106-D108 PolarHBondContact O-N 3.22Š|
| 109 | Y | 48.9 | Very low | 47.8 | Very low | 207 Ų | 207 | 115.1 Ų | 115.1 | 81% | 0.812 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -102.7 | -3.6 | 176.7 | -80.8 | -89.3 | 0 | 0 | 0 | 113.1 | L106 E107 | L106-Y109 PolarHBondContact O-N 3.4Å; E107-Y109 PolarHBondContact O-N 3.39Å |
| 110 | C | 48.7 | Very low | 48.4 | Very low | 49 Ų | 49 | 111.4 Ų | 111.4 | 33% | 0.331 | 58% | 0.58 | S | S | . | * | trans | -86.7 | 137.9 | 168.3 | -65.5 | 0 | 0 | 0 | 0 | 109 | C42 E107 | C42-C110 PolarHBondContact SG-SG 2.81Å; E107-C110 PolarHBondContact O-N 3.44Å | ||
| 111 | N | 46.3 | Very low | 48.8 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | trans | -95.1 | 0 | 179.8 | -162.9 | 63.4 | 0 | 0 | 0 | 111.8 | R45 N49 | R45-N111 WeakPolarHBondContact CD-O 3.12Å; N49-N111 PolarHBondContact ND2-ND2 2.87Å; N49-N111 VanDerWaalsContact ND2-ND2 3.16Å; N49-N111 PolarHBondContact ND2-OD1 3.13Å |
Retrieved 111 of 111 residues in 16.5 ms
(Link to these results)