| 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 | 50.2 | Low | 53.1 | Low | 207 Ų | 207 | 117.2 Ų | 117.2 | 100% | 1.02 | 62% | 0.622 | S | S | * | * | 0 | -16.3 | 0 | -77.3 | 171.1 | -81.9 | 0 | 0 | 112.2 | K3 L4 K5 | M1-K3 PolarHBondContact O-N 3.45Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-K5 PolarHBondContact O-N 3.43Å | |||
| 2 | D | 51.3 | Low | 52.9 | Low | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.8 | -31.3 | -175.8 | -52.6 | -82.9 | 0 | 0 | 0 | 114.7 | K5 S6 | D2-K5 PolarHBondContact O-N 3.41Å; D2-S6 WeakPolarHBondContact O-CB 3.32Å; D2-S6 PolarHBondContact O-N 3.03Å |
| 3 | K | 52.2 | Low | 52.4 | Low | 179 Ų | 179 | 115.3 Ų | 115.3 | 78% | 0.778 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 174.7 | -70.3 | -71 | -179 | 178.6 | 0 | 111.6 | M1 S6 V7 | M1-K3 PolarHBondContact O-N 3.45Å; K3-S6 WeakPolarHBondContact O-CB 3.49Å; K3-S6 PolarHBondContact O-N 3.23Å; K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.49Å |
| 4 | L | 53.8 | Low | 51.8 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.1 | -38.5 | 178.6 | -150.8 | 77.5 | 0 | 0 | 0 | 111.4 | M1 S6 V7 L8 | M1-L4 PolarHBondContact O-N 3.41Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-V7 PolarHBondContact O-N 3.02Å; L4-L8 HydrophobicContact CG-CD1 4.19Å; L4-L8 WeakPolarHBondContact O-CB 3.3Å; L4-L8 WeakPolarHBondContact O-CD1 3.41Å; L4-L8 PolarHBondContact O-N 3.5Å |
| 5 | K | 53.6 | Low | 51.5 | Low | 148 Ų | 148 | 120.1 Ų | 120.1 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | 174.5 | -159.6 | 170.1 | -170.7 | -74.4 | 0 | 112.3 | M1 D2 S9 | M1-K5 PolarHBondContact O-N 3.43Å; D2-K5 PolarHBondContact O-N 3.41Å; K5-S9 WeakPolarHBondContact O-CB 3.14Å; K5-S9 PolarHBondContact O-N 3.26Å; K5-S9 PolarHBondContact O-OG 2.8Å |
| 6 | S | 54.8 | Low | 51.4 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.7 | -38.3 | 174.8 | 148.2 | 0 | 0 | 0 | 0 | 113.2 | D2 K3 L4 G10 | D2-S6 WeakPolarHBondContact O-CB 3.32Å; D2-S6 PolarHBondContact O-N 3.03Å; K3-S6 WeakPolarHBondContact O-CB 3.49Å; K3-S6 PolarHBondContact O-N 3.23Å; L4-S6 VanDerWaalsContact C-N 3.34Å; S6-G10 PolarHBondContact O-N 2.86Å; S6-G10 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 56.8 | Low | 51.3 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.1 | -39.4 | 172.8 | -102.4 | 0 | 0 | 0 | 0 | 111.6 | K3 L4 G10 E11 | K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.49Å; L4-V7 PolarHBondContact O-N 3.02Å; V7-G10 PolarHBondContact O-N 3.47Å; V7-E11 PolarHBondContact O-N 3.34Å |
| 8 | L | 55.1 | Low | 51 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.5 | -46.3 | 174.7 | -101.2 | 108.3 | 0 | 0 | 0 | 112.5 | L4 G10 E11 E12 | L4-L8 HydrophobicContact CG-CD1 4.19Å; L4-L8 WeakPolarHBondContact O-CB 3.3Å; L4-L8 WeakPolarHBondContact O-CD1 3.41Å; L4-L8 PolarHBondContact O-N 3.5Å; L8-G10 PolarHBondContact O-N 3.28Å; L8-E11 PolarHBondContact O-N 2.89Å; L8-E11 VanDerWaalsContact O-N 3.16Å; L8-E12 PolarHBondContact O-N 3.34Å |
| 9 | S | 54.3 | Low | 51.2 | Low | 57 Ų | 57 | 120.2 Ų | 120.2 | 40% | 0.399 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.3 | -29.4 | 174.2 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | K5 S13 | K5-S9 WeakPolarHBondContact O-CB 3.14Å; K5-S9 PolarHBondContact O-N 3.26Å; K5-S9 PolarHBondContact O-OG 2.8Å; S9-S13 PolarHBondContact O-N 3.43Å |
| 10 | G | 51.4 | Low | 51.4 | Low | 40 Ų | 40 | 118.8 Ų | 118.8 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.8 | -32 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S6 V7 L8 R14 | S6-G10 PolarHBondContact O-N 2.86Å; S6-G10 VanDerWaalsContact O-N 3.09Å; V7-G10 PolarHBondContact O-N 3.47Å; L8-G10 PolarHBondContact O-N 3.28Å; G10-R14 VanDerWaalsContact O-CB 3.25Å; G10-R14 WeakPolarHBondContact O-CB 3.32Å; G10-R14 PolarHBondContact O-N 3.5Å |
| 11 | E | 50.2 | Low | 51.4 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.6 | -41.6 | 173.2 | -74.7 | -163.4 | 108.5 | 0 | 0 | 112.2 | V7 L8 R14 Q15 | V7-E11 PolarHBondContact O-N 3.34Å; L8-E11 PolarHBondContact O-N 2.89Å; L8-E11 VanDerWaalsContact O-N 3.16Å; E11-R14 PolarHBondContact O-N 2.97Å; E11-Q15 VanDerWaalsContact O-CB 3.29Å; E11-Q15 WeakPolarHBondContact O-CB 3.39Å; E11-Q15 PolarHBondContact O-N 3.38Å |
| 12 | E | 50.6 | Low | 51.5 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.3 | -49.3 | 174.9 | -84.1 | -175.9 | 96.2 | 0 | 0 | 112 | L8 R14 Q15 E16 | L8-E12 PolarHBondContact O-N 3.34Å; E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 3.01Å; E12-Q15 PolarHBondContact O-N 2.93Å; E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 PolarHBondContact O-N 3.43Å |
| 13 | S | 46.3 | Very low | 51.7 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.8 | -35.6 | 176.2 | -78 | 0 | 0 | 0 | 0 | 112.6 | S9 D17 | S9-S13 PolarHBondContact O-N 3.43Å; S13-D17 WeakPolarHBondContact O-CB 3.5Å; S13-D17 PolarHBondContact O-N 2.81Å |
| 14 | R | 45.1 | Very low | 51.7 | Low | 173 Ų | 173 | 108.5 Ų | 108.5 | 65% | 0.653 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.2 | -31.4 | 178.6 | -170 | -178.7 | -72.1 | -162.4 | -3.3 | 112 | G10 E11 E12 R18 | G10-R14 VanDerWaalsContact O-CB 3.25Å; G10-R14 WeakPolarHBondContact O-CB 3.32Å; G10-R14 PolarHBondContact O-N 3.5Å; E11-R14 PolarHBondContact O-N 2.97Å; E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 3.01Å; R14-R18 WeakPolarHBondContact O-CG 3.29Å; R14-R18 PolarHBondContact O-N 3.23Å; R14-R18 VanDerWaalsContact O-N 3.12Å |
| 15 | Q | 46.5 | Very low | 51.7 | Low | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.7 | -34.8 | 175.6 | -173.1 | 162.6 | -30.2 | 0 | 0 | 111.6 | E11 E12 N19 | E11-Q15 VanDerWaalsContact O-CB 3.29Å; E11-Q15 WeakPolarHBondContact O-CB 3.39Å; E11-Q15 PolarHBondContact O-N 3.38Å; E12-Q15 PolarHBondContact O-N 2.93Å; Q15-N19 WeakPolarHBondContact O-CB 3.39Å; Q15-N19 PolarHBondContact O-N 2.65Å; Q15-N19 PolarHBondContact O-ND2 3.39Å |
| 16 | E | 50.2 | Low | 51.5 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.4 | -44.5 | 171.4 | -166.6 | 171.3 | 103 | 0 | 0 | 111.5 | E12 R18 N19 I20 | E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 PolarHBondContact O-N 3.43Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 2.91Å; E16-N19 PolarHBondContact O-N 2.94Å; E16-I20 HydrophobicContact CG-CD1 4.15Å; E16-I20 WeakPolarHBondContact O-CB 3.35Å; E16-I20 WeakPolarHBondContact O-CG1 3.49Å; E16-I20 PolarHBondContact O-N 2.81Å |
| 17 | D | 48.9 | Very low | 51.1 | Low | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -38.1 | 176.6 | -137 | -81.3 | 0 | 0 | 0 | 111.8 | S13 L21 | S13-D17 WeakPolarHBondContact O-CB 3.5Å; S13-D17 PolarHBondContact O-N 2.81Å; D17-L21 VanDerWaalsContact O-CB 3.23Å; D17-L21 WeakPolarHBondContact O-CB 3.21Å; D17-L21 WeakPolarHBondContact O-CG 2.98Å; D17-L21 PolarHBondContact O-N 2.95Å |
| 18 | R | 47.5 | Very low | 50.5 | Low | 169 Ų | 169 | 104.9 Ų | 104.9 | 64% | 0.638 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 172.9 | -77.7 | -169.5 | -158.1 | -136.1 | 9.8 | 112.3 | R14 E16 L21 Q22 | R14-R18 WeakPolarHBondContact O-CG 3.29Å; R14-R18 PolarHBondContact O-N 3.23Å; R14-R18 VanDerWaalsContact O-N 3.12Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 2.91Å; R18-L21 PolarHBondContact O-N 2.76Å; R18-Q22 WeakPolarHBondContact O-CB 3.49Å; R18-Q22 PolarHBondContact O-N 2.77Å |
| 19 | N | 54.2 | Low | 49.9 | Very low | 80 Ų | 80 | 105.4 Ų | 105.4 | 43% | 0.428 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.5 | -83.7 | -57.1 | 0 | 0 | 0 | 111.3 | Q15 E16 Q22 I23 | Q15-N19 WeakPolarHBondContact O-CB 3.39Å; Q15-N19 PolarHBondContact O-N 2.65Å; Q15-N19 PolarHBondContact O-ND2 3.39Å; E16-N19 PolarHBondContact O-N 2.94Å; N19-Q22 PolarHBondContact O-N 3.29Å; N19-I23 WeakPolarHBondContact O-CB 3.34Å; N19-I23 WeakPolarHBondContact O-CD1 3.45Å; N19-I23 WeakPolarHBondContact O-CG1 3.36Å; N19-I23 PolarHBondContact O-N 3.41Å |
| 20 | I | 54.3 | Low | 49.2 | Very low | 91 Ų | 91 | 108.9 Ų | 108.9 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | 174.6 | -67.8 | -178.8 | 0 | 0 | 0 | 110.4 | E16 Q22 I23 V24 | E16-I20 HydrophobicContact CG-CD1 4.15Å; E16-I20 WeakPolarHBondContact O-CB 3.35Å; E16-I20 WeakPolarHBondContact O-CG1 3.49Å; E16-I20 PolarHBondContact O-N 2.81Å; I20-Q22 VanDerWaalsContact C-N 3.27Å; I20-Q22 PolarHBondContact O-N 3.29Å; I20-I23 PolarHBondContact O-N 3.49Å; I20-V24 HydrophobicContact CG2-CG2 4.12Å; I20-V24 WeakPolarHBondContact O-CB 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 2.89Å |
| 21 | L | 51.3 | Low | 48.9 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.7 | -35.8 | 174.1 | -84.4 | 170.2 | 0 | 0 | 0 | 112.1 | D17 R18 N25 | D17-L21 VanDerWaalsContact O-CB 3.23Å; D17-L21 WeakPolarHBondContact O-CB 3.21Å; D17-L21 WeakPolarHBondContact O-CG 2.98Å; D17-L21 PolarHBondContact O-N 2.95Å; R18-L21 PolarHBondContact O-N 2.76Å; L21-N25 WeakPolarHBondContact O-CB 3.28Å; L21-N25 PolarHBondContact O-N 3.39Å |
| 22 | Q | 53.9 | Low | 48.6 | Very low | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.7 | -38.9 | 179.3 | -157.1 | 175.4 | -58.6 | 0 | 0 | 111.6 | R18 N19 I20 N25 E26 | R18-Q22 WeakPolarHBondContact O-CB 3.49Å; R18-Q22 PolarHBondContact O-N 2.77Å; N19-Q22 PolarHBondContact O-N 3.29Å; I20-Q22 VanDerWaalsContact C-N 3.27Å; I20-Q22 PolarHBondContact O-N 3.29Å; Q22-N25 PolarHBondContact O-N 3.05Å; Q22-E26 PolarHBondContact O-N 3.49Å |
| 23 | I | 55.2 | Low | 48.3 | Very low | 114 Ų | 114 | 106 Ų | 106 | 59% | 0.585 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 170.7 | -68.4 | 162.8 | 0 | 0 | 0 | 110.4 | N19 I20 N25 A27 | N19-I23 WeakPolarHBondContact O-CB 3.34Å; N19-I23 WeakPolarHBondContact O-CD1 3.45Å; N19-I23 WeakPolarHBondContact O-CG1 3.36Å; N19-I23 PolarHBondContact O-N 3.41Å; I20-I23 PolarHBondContact O-N 3.49Å; I23-N25 VanDerWaalsContact C-N 3.29Å; I23-N25 PolarHBondContact O-N 3.33Å; I23-A27 WeakPolarHBondContact O-CB 3.34Å; I23-A27 PolarHBondContact O-N 3.09Å |
| 24 | V | 51.1 | Low | 48.3 | Very low | 75 Ų | 75 | 105.8 Ų | 105.8 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I20 S28 | I20-V24 HydrophobicContact CG2-CG2 4.12Å; I20-V24 WeakPolarHBondContact O-CB 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 2.89Å; V24-S28 WeakPolarHBondContact O-CA 3.31Å; V24-S28 WeakPolarHBondContact O-CB 3.1Å; V24-S28 PolarHBondContact O-N 3.39Å; V24-S28 PolarHBondContact O-OG 2.83Å |
| 25 | N | 53.9 | Low | 48.5 | Very low | 108 Ų | 108 | 102 Ų | 102 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76.1 | -40.7 | 178.2 | -171.2 | 61.7 | 0 | 0 | 0 | 112.3 | L21 Q22 I23 S28 T29 | L21-N25 WeakPolarHBondContact O-CB 3.28Å; L21-N25 PolarHBondContact O-N 3.39Å; Q22-N25 PolarHBondContact O-N 3.05Å; I23-N25 VanDerWaalsContact C-N 3.29Å; I23-N25 PolarHBondContact O-N 3.33Å; N25-S28 CarbonylContact O-C 3.45Å; N25-S28 WeakPolarHBondContact O-CA 3.44Å; N25-S28 WeakPolarHBondContact O-CB 3.41Å; N25-S28 PolarHBondContact O-N 2.86Å; N25-S28 VanDerWaalsContact O-N 3.15Å; N25-T29 PolarHBondContact O-N 3.3Å |
| 26 | E | 49.6 | Very low | 48.8 | Very low | 144 Ų | 144 | 99.6 Ų | 99.6 | 67% | 0.673 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 170.3 | -89.4 | -141.7 | 86.3 | 0 | 0 | 111.7 | Q22 S28 T29 | Q22-E26 PolarHBondContact O-N 3.49Å; E26-S28 PolarHBondContact O-N 3.47Å; E26-T29 PolarHBondContact O-N 3.32Å |
| 27 | A | 46.2 | Very low | 48.7 | Very low | 67 Ų | 67 | 100.5 Ų | 100.5 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -28.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 G31 | I23-A27 WeakPolarHBondContact O-CB 3.34Å; I23-A27 PolarHBondContact O-N 3.09Å; A27-G31 PolarHBondContact O-N 3.31Å |
| 28 | S | 44.9 | Very low | 48.9 | Very low | 44 Ų | 44 | 97.3 Ų | 97.3 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -82.4 | -18.6 | 176.4 | -69 | 0 | 0 | 0 | 0 | 114.3 | V24 N25 E26 L30 G31 W32 | V24-S28 WeakPolarHBondContact O-CA 3.31Å; V24-S28 WeakPolarHBondContact O-CB 3.1Å; V24-S28 PolarHBondContact O-N 3.39Å; V24-S28 PolarHBondContact O-OG 2.83Å; N25-S28 CarbonylContact O-C 3.45Å; N25-S28 WeakPolarHBondContact O-CA 3.44Å; N25-S28 WeakPolarHBondContact O-CB 3.41Å; N25-S28 PolarHBondContact O-N 2.86Å; N25-S28 VanDerWaalsContact O-N 3.15Å; E26-S28 PolarHBondContact O-N 3.47Å; S28-L30 VanDerWaalsContact C-N 3.27Å; S28-G31 VanDerWaalsContact C-N 3.29Å; S28-G31 CarbonylContact O-C 3.51Å; S28-G31 VanDerWaalsContact O-CA 3.28Å; S28-G31 WeakPolarHBondContact O-CA 3.41Å; S28-G31 PolarHBondContact O-N 3.04Å; S28-W32 PolarHBondContact O-N 3.43Å |
| 29 | T | 41.4 | Very low | 49.3 | Very low | 108 Ų | 108 | 95.4 Ų | 95.4 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68 | -32.2 | 169.7 | -124.7 | 0 | 0 | 0 | 0 | 110.6 | N25 E26 G31 | N25-T29 PolarHBondContact O-N 3.3Å; E26-T29 PolarHBondContact O-N 3.32Å; T29-G31 VanDerWaalsContact C-N 3.31Å |
| 30 | L | 40.5 | Very low | 49.5 | Very low | 129 Ų | 129 | 96 Ų | 96 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.9 | -29.1 | 163 | -113.9 | 86.3 | 0 | 0 | 0 | 111.9 | S28 T34 | S28-L30 VanDerWaalsContact C-N 3.27Å; L30-T34 WeakPolarHBondContact O-CB 3.4Å; L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 3.41Å |
| 31 | G | 46 | Very low | 49.5 | Very low | 17 Ų | 17 | 94 Ų | 94 | 18% | 0.175 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -74.8 | -44.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A27 S28 T29 R35 | A27-G31 PolarHBondContact O-N 3.31Å; S28-G31 VanDerWaalsContact C-N 3.29Å; S28-G31 CarbonylContact O-C 3.51Å; S28-G31 VanDerWaalsContact O-CA 3.28Å; S28-G31 WeakPolarHBondContact O-CA 3.41Å; S28-G31 PolarHBondContact O-N 3.04Å; T29-G31 VanDerWaalsContact C-N 3.31Å; G31-R35 VanDerWaalsContact O-CB 3.26Å; G31-R35 WeakPolarHBondContact O-CB 3.11Å; G31-R35 WeakPolarHBondContact O-CD 3.39Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 3.24Å; G31-R35 VanDerWaalsContact O-N 3.07Å |
| 32 | W | 44.1 | Very low | 49.6 | Very low | 186 Ų | 186 | 92.6 Ų | 92.6 | 71% | 0.705 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.6 | -43.4 | -175.6 | -125.3 | 88.1 | 0 | 0 | 0 | 112.8 | S28 R35 I36 | S28-W32 PolarHBondContact O-N 3.43Å; W32-R35 PolarHBondContact O-N 2.97Å; W32-I36 HydrophobicContact CE3-CD1 3.37Å; W32-I36 HydrophobicContact CE3-CG1 4.39Å; W32-I36 HydrophobicContact CH2-CD1 4.47Å; W32-I36 HydrophobicContact CZ3-CD1 3.36Å; W32-I36 HydrophobicContact CZ3-CG1 4.45Å; W32-I36 PolarHBondContact O-N 3.47Å; W32-I36 VanDerWaalsContact O-N 3.11Å |
| 33 | G | 43.4 | Very low | 49.7 | Very low | 45 Ų | 45 | 93.1 Ų | 93.1 | 46% | 0.464 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I36 K37 | G33-I36 PolarHBondContact O-N 3.06Å; G33-K37 WeakPolarHBondContact O-CB 3.27Å; G33-K37 PolarHBondContact O-N 2.96Å |
| 34 | T | 46 | Very low | 50 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73 | -28.9 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | L30 K37 G38 | L30-T34 WeakPolarHBondContact O-CB 3.4Å; L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 3.41Å; T34-K37 PolarHBondContact O-N 3.5Å; T34-G38 WeakPolarHBondContact O-CA 3.49Å; T34-G38 PolarHBondContact O-N 3.08Å |
| 35 | R | 49.8 | Very low | 50.3 | Low | 94 Ų | 94 | 92.3 Ų | 92.3 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 172.1 | -76.4 | 170.6 | 173.8 | 131.8 | -2.1 | 112.2 | G31 W32 G38 F39 L85 | G31-R35 VanDerWaalsContact O-CB 3.26Å; G31-R35 WeakPolarHBondContact O-CB 3.11Å; G31-R35 WeakPolarHBondContact O-CD 3.39Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 3.24Å; G31-R35 VanDerWaalsContact O-N 3.07Å; W32-R35 PolarHBondContact O-N 2.97Å; R35-G38 PolarHBondContact O-N 2.89Å; R35-F39 WeakPolarHBondContact O-CB 3.25Å; R35-F39 PolarHBondContact O-N 3.45Å; R35-L85 HydrophobicContact CB-CD1 4.28Å; R35-L85 HydrophobicContact CB-CG 4.48Å; R35-L85 HydrophobicContact CG-CD1 3.63Å; R35-L85 HydrophobicContact CG-CD2 4.2Å; R35-L85 HydrophobicContact CG-CG 3.68Å; R35-L85 PolarHBondContact NH2-O 3.38Å |
| 36 | I | 52.2 | Low | 50.1 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 173.5 | -75.9 | 164.2 | 0 | 0 | 0 | 110.6 | W32 G33 G38 F39 I40 | W32-I36 HydrophobicContact CE3-CD1 3.37Å; W32-I36 HydrophobicContact CE3-CG1 4.39Å; W32-I36 HydrophobicContact CH2-CD1 4.47Å; W32-I36 HydrophobicContact CZ3-CD1 3.36Å; W32-I36 HydrophobicContact CZ3-CG1 4.45Å; W32-I36 PolarHBondContact O-N 3.47Å; W32-I36 VanDerWaalsContact O-N 3.11Å; G33-I36 PolarHBondContact O-N 3.06Å; I36-G38 VanDerWaalsContact C-N 3.27Å; I36-G38 PolarHBondContact O-N 3.33Å; I36-F39 PolarHBondContact O-N 3.33Å; I36-I40 HydrophobicContact CG2-CD1 3.53Å; I36-I40 HydrophobicContact CG2-CG1 4.21Å; I36-I40 WeakPolarHBondContact O-CB 3.3Å; I36-I40 VanDerWaalsContact O-CG1 3.22Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 2.87Å |
| 37 | K | 49.2 | Very low | 50.5 | Low | 150 Ų | 150 | 83.9 Ų | 83.9 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -35.4 | 174.7 | -161 | 173 | 83.6 | 170.5 | 0 | 111.4 | G33 T34 A41 | G33-K37 WeakPolarHBondContact O-CB 3.27Å; G33-K37 PolarHBondContact O-N 2.96Å; T34-K37 PolarHBondContact O-N 3.5Å; K37-A41 WeakPolarHBondContact O-CA 3.31Å; K37-A41 WeakPolarHBondContact O-CB 3.3Å; K37-A41 PolarHBondContact O-N 2.93Å |
| 38 | G | 52.8 | Low | 51.2 | Low | 36 Ų | 36 | 82.7 Ų | 82.7 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T34 R35 I36 C42 | T34-G38 WeakPolarHBondContact O-CA 3.49Å; T34-G38 PolarHBondContact O-N 3.08Å; R35-G38 PolarHBondContact O-N 2.89Å; I36-G38 VanDerWaalsContact C-N 3.27Å; I36-G38 PolarHBondContact O-N 3.33Å; G38-C42 WeakPolarHBondContact O-CB 3.11Å; G38-C42 PolarHBondContact O-N 2.9Å |
| 39 | F | 54.8 | Low | 51.7 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.9 | -47.3 | 172.6 | -177.9 | -99.2 | 0 | 0 | 0 | 111.6 | R35 I36 C42 F43 | R35-F39 WeakPolarHBondContact O-CB 3.25Å; R35-F39 PolarHBondContact O-N 3.45Å; I36-F39 PolarHBondContact O-N 3.33Å; F39-C42 PolarHBondContact O-N 3.2Å; F39-F43 VanDerWaalsContact O-CB 3.26Å; F39-F43 WeakPolarHBondContact O-CB 3.28Å; F39-F43 PolarHBondContact O-N 3.49Å |
| 40 | I | 57.9 | Low | 52.3 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.8 | -65.6 | 169.4 | 0 | 0 | 0 | 110.2 | I36 C42 F43 V44 | I36-I40 HydrophobicContact CG2-CD1 3.53Å; I36-I40 HydrophobicContact CG2-CG1 4.21Å; I36-I40 WeakPolarHBondContact O-CB 3.3Å; I36-I40 VanDerWaalsContact O-CG1 3.22Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 2.87Å; I40-C42 PolarHBondContact O-N 3.5Å; I40-F43 PolarHBondContact O-N 3.24Å; I40-V44 HydrophobicContact CG2-CG2 4.13Å; I40-V44 WeakPolarHBondContact O-CB 3.2Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 2.87Å |
| 41 | A | 54.8 | Low | 53.3 | Low | 49 Ų | 49 | 78.6 Ų | 78.6 | 41% | 0.405 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K37 V44 V45 | K37-A41 WeakPolarHBondContact O-CA 3.31Å; K37-A41 WeakPolarHBondContact O-CB 3.3Å; K37-A41 PolarHBondContact O-N 2.93Å; A41-V44 PolarHBondContact O-N 3.49Å; A41-V45 WeakPolarHBondContact O-CB 3.17Å; A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.45Å |
| 42 | C | 53 | Low | 53.9 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 176.5 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | G38 F39 I40 G46 | G38-C42 WeakPolarHBondContact O-CB 3.11Å; G38-C42 PolarHBondContact O-N 2.9Å; F39-C42 PolarHBondContact O-N 3.2Å; I40-C42 PolarHBondContact O-N 3.5Å; C42-G46 WeakPolarHBondContact O-CA 3.49Å; C42-G46 PolarHBondContact O-N 3.27Å |
| 43 | F | 56.2 | Low | 54.4 | Low | 137 Ų | 137 | 74.7 Ų | 74.7 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.1 | -44.5 | 175.1 | -175.7 | -98.2 | 0 | 0 | 0 | 111.6 | F39 I40 G46 A47 | F39-F43 VanDerWaalsContact O-CB 3.26Å; F39-F43 WeakPolarHBondContact O-CB 3.28Å; F39-F43 PolarHBondContact O-N 3.49Å; I40-F43 PolarHBondContact O-N 3.24Å; F43-G46 PolarHBondContact O-N 2.79Å; F43-A47 VanDerWaalsContact O-CB 3.31Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 2.77Å |
| 44 | V | 62.6 | Low | 55 | Low | 85 Ų | 85 | 77 Ų | 77 | 52% | 0.515 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I40 A41 G46 A47 A48 | I40-V44 HydrophobicContact CG2-CG2 4.13Å; I40-V44 WeakPolarHBondContact O-CB 3.2Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 2.87Å; A41-V44 PolarHBondContact O-N 3.49Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-A47 PolarHBondContact O-N 3.41Å; V44-A48 WeakPolarHBondContact O-CB 3.29Å; V44-A48 PolarHBondContact O-N 3.33Å |
| 45 | V | 57.2 | Low | 55.5 | Low | 87 Ų | 87 | 77.2 Ų | 77.2 | 53% | 0.527 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | A41 A48 C49 | A41-V45 WeakPolarHBondContact O-CB 3.17Å; A41-V45 WeakPolarHBondContact O-CG2 3.37Å; A41-V45 PolarHBondContact O-N 3.45Å; V45-A48 PolarHBondContact O-N 3.3Å; V45-C49 VanDerWaalsContact O-CB 3.25Å; V45-C49 WeakPolarHBondContact O-CB 3.31Å; V45-C49 PolarHBondContact O-N 3.46Å; V45-C49 PolarHBondContact O-SG 3.48Å |
| 46 | G | 50.3 | Low | 55.7 | Low | 33 Ų | 33 | 76 Ų | 76 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C42 F43 V44 C49 T50 | C42-G46 WeakPolarHBondContact O-CA 3.49Å; C42-G46 PolarHBondContact O-N 3.27Å; F43-G46 PolarHBondContact O-N 2.79Å; V44-G46 VanDerWaalsContact C-N 3.34Å; G46-C49 PolarHBondContact O-N 2.75Å; G46-T50 WeakPolarHBondContact O-CG2 3.4Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 3.27Å |
| 47 | A | 58.2 | Low | 55.8 | Low | 41 Ų | 41 | 75.4 Ų | 75.4 | 34% | 0.339 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 V44 T50 V51 | F43-A47 VanDerWaalsContact O-CB 3.31Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 2.77Å; V44-A47 PolarHBondContact O-N 3.41Å; A47-T50 WeakPolarHBondContact CA-OG1 3.41Å; A47-T50 PolarHBondContact O-N 2.96Å; A47-T50 PolarHBondContact O-OG1 3.4Å; A47-V51 WeakPolarHBondContact O-CB 3.46Å; A47-V51 VanDerWaalsContact O-CG2 3.26Å; A47-V51 WeakPolarHBondContact O-CG2 3.45Å; A47-V51 PolarHBondContact O-N 3.42Å |
| 48 | A | 60.4 | Low | 56.1 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | V44 V45 V51 L52 | V44-A48 WeakPolarHBondContact O-CB 3.29Å; V44-A48 PolarHBondContact O-N 3.33Å; V45-A48 PolarHBondContact O-N 3.3Å; A48-V51 PolarHBondContact O-N 2.94Å; A48-L52 WeakPolarHBondContact O-CB 3.43Å; A48-L52 WeakPolarHBondContact O-CD1 2.89Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.42Å; A48-L52 PolarHBondContact O-N 3.34Å |
| 49 | C | 55.8 | Low | 56.1 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 32% | 0.324 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 175.6 | -80.8 | 0 | 0 | 0 | 0 | 113 | V45 G46 G53 | V45-C49 VanDerWaalsContact O-CB 3.25Å; V45-C49 WeakPolarHBondContact O-CB 3.31Å; V45-C49 PolarHBondContact O-N 3.46Å; V45-C49 PolarHBondContact O-SG 3.48Å; G46-C49 PolarHBondContact O-N 2.75Å; C49-G53 VanDerWaalsContact O-CA 3.32Å; C49-G53 WeakPolarHBondContact O-CA 3.3Å; C49-G53 PolarHBondContact O-N 3.33Å |
| 50 | T | 53.7 | Low | 55.7 | Low | 53 Ų | 53 | 80.3 Ų | 80.3 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 174.6 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | G46 A47 G53 V54 I135 | G46-T50 WeakPolarHBondContact O-CG2 3.4Å; G46-T50 PolarHBondContact O-N 2.91Å; G46-T50 PolarHBondContact O-OG1 3.27Å; A47-T50 WeakPolarHBondContact CA-OG1 3.41Å; A47-T50 PolarHBondContact O-N 2.96Å; A47-T50 PolarHBondContact O-OG1 3.4Å; T50-G53 PolarHBondContact O-N 2.82Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.2Å; T50-V54 PolarHBondContact O-N 3.23Å; T50-I135 HydrophobicContact CG2-CD1 3.53Å |
| 51 | V | 61.9 | Low | 55.5 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -48.9 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | A47 A48 G53 V54 C55 | A47-V51 WeakPolarHBondContact O-CB 3.46Å; A47-V51 VanDerWaalsContact O-CG2 3.26Å; A47-V51 WeakPolarHBondContact O-CG2 3.45Å; A47-V51 PolarHBondContact O-N 3.42Å; A48-V51 PolarHBondContact O-N 2.94Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.43Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-C55 PolarHBondContact O-N 3.41Å; V51-C55 PolarHBondContact O-SG 2.91Å; V51-C55 VanDerWaalsContact O-SG 3.34Å |
| 52 | L | 57.8 | Low | 55.5 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 174.3 | -79.5 | 163.2 | 0 | 0 | 0 | 111.9 | A48 C55 M56 | A48-L52 WeakPolarHBondContact O-CB 3.43Å; A48-L52 WeakPolarHBondContact O-CD1 2.89Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.42Å; A48-L52 PolarHBondContact O-N 3.34Å; L52-C55 PolarHBondContact O-N 2.95Å; L52-M56 HydrophobicContact CB-SD 4.38Å; L52-M56 VanDerWaalsContact O-CB 3.28Å; L52-M56 WeakPolarHBondContact O-CB 3.47Å; L52-M56 WeakPolarHBondContact O-CG 3.31Å; L52-M56 PolarHBondContact O-N 3.47Å |
| 53 | G | 55 | Low | 55.6 | Low | 28 Ų | 28 | 86.8 Ų | 86.8 | 29% | 0.289 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C49 T50 V51 L57 | C49-G53 VanDerWaalsContact O-CA 3.32Å; C49-G53 WeakPolarHBondContact O-CA 3.3Å; C49-G53 PolarHBondContact O-N 3.33Å; T50-G53 PolarHBondContact O-N 2.82Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.43Å; G53-L57 VanDerWaalsContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CB 3.42Å; G53-L57 PolarHBondContact O-N 3.35Å; G53-L57 VanDerWaalsContact O-N 3.09Å |
| 54 | V | 56.3 | Low | 55.5 | Low | 93 Ų | 93 | 83 Ų | 83 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.2 | -37.7 | 172.6 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | T50 V51 L57 | T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.2Å; T50-V54 PolarHBondContact O-N 3.23Å; V51-V54 PolarHBondContact O-N 2.93Å; V54-L57 WeakPolarHBondContact O-CB 3.39Å |
| 55 | C | 56.6 | Low | 55.2 | Low | 80 Ų | 80 | 83.4 Ų | 83.4 | 54% | 0.541 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 175.9 | -71.1 | 0 | 0 | 0 | 0 | 113 | V51 L52 L57 F58 | V51-C55 PolarHBondContact O-N 3.41Å; V51-C55 PolarHBondContact O-SG 2.91Å; V51-C55 VanDerWaalsContact O-SG 3.34Å; L52-C55 PolarHBondContact O-N 2.95Å; C55-L57 VanDerWaalsContact C-N 3.28Å; C55-L57 PolarHBondContact O-N 2.9Å; C55-F58 WeakPolarHBondContact O-CB 3.47Å; C55-F58 PolarHBondContact O-N 3.44Å |
| 56 | M | 53.8 | Low | 55.2 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77.6 | -15.5 | 178.3 | -77.4 | 155.7 | 100.4 | 0 | 0 | 112.9 | L52 F58 L59 L66 | L52-M56 HydrophobicContact CB-SD 4.38Å; L52-M56 VanDerWaalsContact O-CB 3.28Å; L52-M56 WeakPolarHBondContact O-CB 3.47Å; L52-M56 WeakPolarHBondContact O-CG 3.31Å; L52-M56 PolarHBondContact O-N 3.47Å; M56-F58 PolarHBondContact O-N 3.26Å; M56-L59 PolarHBondContact O-N 3.25Å; M56-L66 HydrophobicContact CE-CB 4.14Å; M56-L66 HydrophobicContact CE-CD1 3.41Å; M56-L66 VanDerWaalsContact CE-CD1 3.41Å; M56-L66 HydrophobicContact CE-CG 4.22Å |
| 57 | L | 54.3 | Low | 55.6 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 34% | 0.335 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26 | 167.1 | -122.2 | 165 | 0 | 0 | 0 | 113.3 | G53 V54 C55 L59 F124 L128 | G53-L57 VanDerWaalsContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CB 3.42Å; G53-L57 PolarHBondContact O-N 3.35Å; G53-L57 VanDerWaalsContact O-N 3.09Å; V54-L57 WeakPolarHBondContact O-CB 3.39Å; C55-L57 VanDerWaalsContact C-N 3.28Å; C55-L57 PolarHBondContact O-N 2.9Å; L57-L59 PolarHBondContact O-N 3.44Å; L57-F124 HydrophobicContact CD1-CE1 3.71Å; L57-F124 HydrophobicContact CD1-CZ 3.49Å; L57-F124 VanDerWaalsContact CD1-CZ 3.49Å; L57-F124 HydrophobicContact CD2-CD1 3.9Å; L57-F124 HydrophobicContact CD2-CE1 3Å; L57-F124 HydrophobicContact CD2-CE2 3.99Å; L57-F124 HydrophobicContact CD2-CZ 3.1Å; L57-F124 HydrophobicContact CG-CE1 3.55Å; L57-F124 HydrophobicContact CG-CE2 4.08Å; L57-F124 HydrophobicContact CG-CZ 3.14Å; L57-L128 HydrophobicContact CD1-CD1 3.77Å; L57-L128 HydrophobicContact CD1-CD2 4.06Å |
| 58 | F | 55.5 | Low | 55.7 | Low | 189 Ų | 189 | 84.4 Ų | 84.4 | 83% | 0.829 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.1 | 175 | -129.8 | -95.4 | 0 | 0 | 0 | 112.8 | C55 M56 | C55-F58 WeakPolarHBondContact O-CB 3.47Å; C55-F58 PolarHBondContact O-N 3.44Å; M56-F58 PolarHBondContact O-N 3.26Å |
| 59 | L | 52.1 | Low | 55.6 | Low | 110 Ų | 110 | 86.2 Ų | 86.2 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -101.4 | 111.7 | 175.1 | -99.1 | 77.9 | 0 | 0 | 0 | 111.5 | M56 L57 | M56-L59 PolarHBondContact O-N 3.25Å; L57-L59 PolarHBondContact O-N 3.44Å |
| 60 | P | 46.2 | Very low | 55.8 | Low | 118 Ų | 118 | 89.4 Ų | 89.4 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 147.4 | 176.9 | 26.1 | -31.3 | 0 | 0 | 0 | 112 | I62 | P60-I62 PolarHBondContact O-N 3.41Š|
| 61 | R | 53.8 | Low | 56.2 | Low | 239 Ų | 239 | 88.6 Ų | 88.6 | 90% | 0.902 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -41.3 | 179.9 | -76.8 | -175 | -179.3 | 169.9 | 1.2 | 119.4 | ||
| 62 | I | 55.2 | Low | 56 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -26.3 | -171.4 | -101.9 | 73.4 | 0 | 0 | 0 | 113.8 | P60 L64 T65 L66 | P60-I62 PolarHBondContact O-N 3.41Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.71Å; I62-T65 PolarHBondContact O-N 2.95Å; I62-L66 HydrophobicContact CG2-CD1 3.65Å |
| 63 | G | 54.8 | Low | 56.3 | Low | 14 Ų | 14 | 89.3 Ų | 89.3 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -31.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F67 | G63-F67 WeakPolarHBondContact O-CB 3.39Å; G63-F67 PolarHBondContact O-N 3Å |
| 64 | L | 53.8 | Low | 56.5 | Low | 56 Ų | 56 | 89.8 Ų | 89.8 | 29% | 0.293 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | -176.3 | -133.2 | 162 | 0 | 0 | 0 | 112.2 | I62 F67 I68 F124 | I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.71Å; L64-F67 PolarHBondContact O-N 3Å; L64-I68 HydrophobicContact CD2-CD1 3.83Å; L64-I68 HydrophobicContact CD2-CG1 4.34Å; L64-I68 WeakPolarHBondContact O-CD1 3.38Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 2.94Å; L64-F124 HydrophobicContact CD1-CB 4.49Å; L64-F124 HydrophobicContact CD1-CD2 4.25Å; L64-F124 HydrophobicContact CG-CD2 4.28Å |
| 65 | T | 55.7 | Low | 56.7 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.5 | -43.7 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | I62 F67 I68 V69 | I62-T65 PolarHBondContact O-N 2.95Å; T65-F67 VanDerWaalsContact C-N 3.33Å; T65-F67 PolarHBondContact O-N 2.9Å; T65-I68 PolarHBondContact O-N 2.94Å; T65-V69 WeakPolarHBondContact O-CG2 3.34Å; T65-V69 PolarHBondContact O-N 3.5Å |
| 66 | L | 58.3 | Low | 57 | Low | 63 Ų | 63 | 87.9 Ų | 87.9 | 33% | 0.33 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 177 | -81.4 | 159 | 0 | 0 | 0 | 111.8 | M56 I62 V69 F70 | M56-L66 HydrophobicContact CE-CB 4.14Å; M56-L66 HydrophobicContact CE-CD1 3.41Å; M56-L66 VanDerWaalsContact CE-CD1 3.41Å; M56-L66 HydrophobicContact CE-CG 4.22Å; I62-L66 HydrophobicContact CG2-CD1 3.65Å; L66-V69 PolarHBondContact O-N 3.35Å; L66-F70 HydrophobicContact CD2-CE2 4.44Å; L66-F70 WeakPolarHBondContact O-CB 3.19Å; L66-F70 PolarHBondContact O-N 3.04Å |
| 67 | F | 57.4 | Low | 57.1 | Low | 64 Ų | 64 | 87.7 Ų | 87.7 | 28% | 0.281 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 171.8 | -178.3 | -97.4 | 0 | 0 | 0 | 111.6 | G63 L64 T65 V69 F70 Y71 | G63-F67 WeakPolarHBondContact O-CB 3.39Å; G63-F67 PolarHBondContact O-N 3Å; L64-F67 PolarHBondContact O-N 3Å; T65-F67 VanDerWaalsContact C-N 3.33Å; T65-F67 PolarHBondContact O-N 2.9Å; F67-V69 VanDerWaalsContact C-N 3.33Å; F67-V69 PolarHBondContact O-N 2.93Å; F67-F70 PolarHBondContact O-N 3.5Å; F67-Y71 HydrophobicContact CZ-CD2 4.35Å; F67-Y71 WeakPolarHBondContact O-CA 3.15Å; F67-Y71 WeakPolarHBondContact O-CB 3.49Å; F67-Y71 PolarHBondContact O-N 3.01Å |
| 68 | I | 60.2 | Low | 57.2 | Low | 55 Ų | 55 | 86.6 Ų | 86.6 | 28% | 0.282 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 179 | -69.5 | 162.6 | 0 | 0 | 0 | 111.2 | L64 T65 T72 | L64-I68 HydrophobicContact CD2-CD1 3.83Å; L64-I68 HydrophobicContact CD2-CG1 4.34Å; L64-I68 WeakPolarHBondContact O-CD1 3.38Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 2.94Å; T65-I68 PolarHBondContact O-N 2.94Å; I68-T72 PolarHBondContact O-N 2.85Å; I68-T72 PolarHBondContact O-OG1 3.47Å |
| 69 | V | 60.3 | Low | 57.2 | Low | 82 Ų | 82 | 82.5 Ų | 82.5 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.7 | -49.5 | 180 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | T65 L66 F67 Y71 T72 F73 | T65-V69 WeakPolarHBondContact O-CG2 3.34Å; T65-V69 PolarHBondContact O-N 3.5Å; L66-V69 PolarHBondContact O-N 3.35Å; F67-V69 VanDerWaalsContact C-N 3.33Å; F67-V69 PolarHBondContact O-N 2.93Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 PolarHBondContact O-N 3.24Å; V69-T72 PolarHBondContact O-OG1 3.47Å; V69-F73 WeakPolarHBondContact O-CB 3.12Å; V69-F73 PolarHBondContact O-N 2.97Å |
| 70 | F | 60 | Low | 57.4 | Low | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.504 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 176.9 | -94.1 | -92.5 | 0 | 0 | 0 | 112.2 | L66 F67 G74 | L66-F70 HydrophobicContact CD2-CE2 4.44Å; L66-F70 WeakPolarHBondContact O-CB 3.19Å; L66-F70 PolarHBondContact O-N 3.04Å; F67-F70 PolarHBondContact O-N 3.5Å; F70-G74 WeakPolarHBondContact O-CA 3.19Å; F70-G74 PolarHBondContact O-N 2.99Å |
| 71 | Y | 60.8 | Low | 57.5 | Low | 36 Ų | 36 | 78.1 Ų | 78.1 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.5 | -47.6 | 177.7 | -174.2 | -100.2 | 0 | 0 | 0 | 112.1 | F67 V69 G74 N75 L111 T114 L115 | F67-Y71 HydrophobicContact CZ-CD2 4.35Å; F67-Y71 WeakPolarHBondContact O-CA 3.15Å; F67-Y71 WeakPolarHBondContact O-CB 3.49Å; F67-Y71 PolarHBondContact O-N 3.01Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 PolarHBondContact O-N 3.24Å; Y71-G74 PolarHBondContact O-N 3.32Å; Y71-N75 VanDerWaalsContact CD1-ND2 3.31Å; Y71-N75 WeakPolarHBondContact CD1-ND2 3.01Å; Y71-N75 WeakPolarHBondContact CE1-ND2 3.49Å; Y71-N75 WeakPolarHBondContact O-CB 3.47Å; Y71-N75 PolarHBondContact O-N 3.47Å; Y71-N75 PolarHBondContact O-ND2 3.17Å; Y71-L111 PolarHBondContact OH-O 2.79Å; Y71-L111 VanDerWaalsContact OH-O 3.08Å; Y71-T114 HydrophobicContact CE2-CG2 3.93Å; Y71-T114 WeakPolarHBondContact OH-CB 2.92Å; Y71-L115 HydrophobicContact CD1-CD1 3.93Å; Y71-L115 HydrophobicContact CE1-CB 4.33Å; Y71-L115 HydrophobicContact CE1-CD1 3.64Å |
| 72 | T | 58.7 | Low | 57.3 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 34% | 0.344 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.9 | 35.2 | 0 | 0 | 0 | 0 | 111.6 | I68 V69 N75 I76 | I68-T72 PolarHBondContact O-N 2.85Å; I68-T72 PolarHBondContact O-OG1 3.47Å; V69-T72 PolarHBondContact O-OG1 3.47Å; T72-N75 PolarHBondContact O-N 3.31Å; T72-I76 VanDerWaalsContact O-CG1 3.32Å; T72-I76 WeakPolarHBondContact O-CG1 3.46Å; T72-I76 PolarHBondContact O-N 2.89Å |
| 73 | F | 63.4 | Low | 57 | Low | 146 Ų | 146 | 70.7 Ų | 70.7 | 64% | 0.64 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 175.8 | -172.5 | -100.5 | 0 | 0 | 0 | 112.2 | V69 N75 I76 C77 | V69-F73 WeakPolarHBondContact O-CB 3.12Å; V69-F73 PolarHBondContact O-N 2.97Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 2.96Å; F73-I76 PolarHBondContact O-N 2.83Å; F73-C77 VanDerWaalsContact O-CB 3.29Å; F73-C77 WeakPolarHBondContact O-CB 3Å; F73-C77 PolarHBondContact O-N 3.31Å |
| 74 | G | 58.7 | Low | 56.4 | Low | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F70 Y71 C77 A78 | F70-G74 WeakPolarHBondContact O-CA 3.19Å; F70-G74 PolarHBondContact O-N 2.99Å; Y71-G74 PolarHBondContact O-N 3.32Å; G74-C77 PolarHBondContact O-N 2.8Å; G74-A78 VanDerWaalsContact O-CB 3.27Å; G74-A78 WeakPolarHBondContact O-CB 3.34Å; G74-A78 PolarHBondContact O-N 3.49Å |
| 75 | N | 62 | Low | 55.7 | Low | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 176.9 | -80.4 | -60.8 | 0 | 0 | 0 | 113.2 | Y71 T72 F73 C77 A78 L79 L111 | Y71-N75 VanDerWaalsContact CD1-ND2 3.31Å; Y71-N75 WeakPolarHBondContact CD1-ND2 3.01Å; Y71-N75 WeakPolarHBondContact CE1-ND2 3.49Å; Y71-N75 WeakPolarHBondContact O-CB 3.47Å; Y71-N75 PolarHBondContact O-N 3.47Å; Y71-N75 PolarHBondContact O-ND2 3.17Å; T72-N75 PolarHBondContact O-N 3.31Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 2.96Å; N75-C77 VanDerWaalsContact C-N 3.32Å; N75-C77 PolarHBondContact O-N 2.62Å; N75-A78 PolarHBondContact O-N 2.74Å; N75-L79 WeakPolarHBondContact O-CB 3.16Å; N75-L79 VanDerWaalsContact O-CG 3.31Å; N75-L79 WeakPolarHBondContact O-CG 3.35Å; N75-L79 PolarHBondContact O-N 2.76Å; N75-L111 WeakPolarHBondContact OD1-CD1 3.48Å; N75-L111 WeakPolarHBondContact OD1-CG 3.07Å |
| 76 | I | 60.9 | Low | 55 | Low | 107 Ų | 107 | 79.2 Ų | 79.2 | 55% | 0.549 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.8 | -69 | 166.6 | 0 | 0 | 0 | 110 | T72 F73 A78 L79 C80 | T72-I76 VanDerWaalsContact O-CG1 3.32Å; T72-I76 WeakPolarHBondContact O-CG1 3.46Å; T72-I76 PolarHBondContact O-N 2.89Å; F73-I76 PolarHBondContact O-N 2.83Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.38Å; I76-L79 PolarHBondContact O-N 3.25Å; I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.45Å; I76-C80 PolarHBondContact O-SG 2.81Å; I76-C80 VanDerWaalsContact O-SG 3.34Å |
| 77 | C | 57 | Low | 54.4 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 45% | 0.446 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 178.7 | -156.2 | 0 | 0 | 0 | 0 | 112.3 | F73 G74 N75 S81 | F73-C77 VanDerWaalsContact O-CB 3.29Å; F73-C77 WeakPolarHBondContact O-CB 3Å; F73-C77 PolarHBondContact O-N 3.31Å; G74-C77 PolarHBondContact O-N 2.8Å; N75-C77 VanDerWaalsContact C-N 3.32Å; N75-C77 PolarHBondContact O-N 2.62Å; C77-S81 VanDerWaalsContact O-CB 3.3Å; C77-S81 WeakPolarHBondContact O-CB 3.21Å; C77-S81 PolarHBondContact O-N 3.35Å; C77-S81 PolarHBondContact O-OG 3.28Å |
| 78 | A | 56.5 | Low | 53.8 | Low | 40 Ų | 40 | 79.3 Ų | 79.3 | 33% | 0.331 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G74 N75 I76 S81 T82 | G74-A78 VanDerWaalsContact O-CB 3.27Å; G74-A78 WeakPolarHBondContact O-CB 3.34Å; G74-A78 PolarHBondContact O-N 3.49Å; N75-A78 PolarHBondContact O-N 2.74Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.38Å; A78-S81 PolarHBondContact O-N 2.77Å; A78-T82 PolarHBondContact O-N 3Å; A78-T82 PolarHBondContact O-OG1 3.43Å |
| 79 | L | 54.5 | Low | 52.9 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 174.2 | -74 | 171.3 | 0 | 0 | 0 | 111.4 | N75 I76 S81 T82 M83 | N75-L79 WeakPolarHBondContact O-CB 3.16Å; N75-L79 VanDerWaalsContact O-CG 3.31Å; N75-L79 WeakPolarHBondContact O-CG 3.35Å; N75-L79 PolarHBondContact O-N 2.76Å; I76-L79 PolarHBondContact O-N 3.25Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 2.84Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.46Å; L79-T82 PolarHBondContact O-OG1 3.4Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; L79-M83 WeakPolarHBondContact O-CG 3.47Å; L79-M83 PolarHBondContact O-N 2.78Å |
| 80 | C | 57.7 | Low | 52.3 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 51% | 0.507 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 174 | -73.9 | 0 | 0 | 0 | 0 | 111.6 | I76 T82 M83 F84 | I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.45Å; I76-C80 PolarHBondContact O-SG 2.81Å; I76-C80 VanDerWaalsContact O-SG 3.34Å; C80-T82 PolarHBondContact O-N 2.79Å; C80-M83 PolarHBondContact O-N 3.29Å; C80-F84 PolarHBondContact O-N 3.43Å |
| 81 | S | 48.1 | Very low | 51.2 | Low | 61 Ų | 61 | 86 Ų | 86 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 177.1 | -69.3 | 0 | 0 | 0 | 0 | 112.8 | C77 A78 L79 F84 L85 | C77-S81 VanDerWaalsContact O-CB 3.3Å; C77-S81 WeakPolarHBondContact O-CB 3.21Å; C77-S81 PolarHBondContact O-N 3.35Å; C77-S81 PolarHBondContact O-OG 3.28Å; A78-S81 PolarHBondContact O-N 2.77Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 2.84Å; S81-F84 PolarHBondContact O-N 2.95Å; S81-L85 WeakPolarHBondContact O-CB 3.21Å; S81-L85 PolarHBondContact O-N 3.25Å |
| 82 | T | 48.4 | Very low | 50.6 | Low | 60 Ų | 60 | 90.3 Ų | 90.3 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 176.5 | 20.8 | 0 | 0 | 0 | 0 | 112.2 | A78 L79 C80 F84 L85 M86 Q91 | A78-T82 PolarHBondContact O-N 3Å; A78-T82 PolarHBondContact O-OG1 3.43Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.46Å; L79-T82 PolarHBondContact O-OG1 3.4Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; C80-T82 PolarHBondContact O-N 2.79Å; T82-F84 VanDerWaalsContact C-N 3.31Å; T82-F84 PolarHBondContact O-N 2.86Å; T82-L85 PolarHBondContact O-N 3.19Å; T82-M86 PolarHBondContact O-N 3.13Å; T82-Q91 PolarHBondContact O-OE1 3.33Å |
| 83 | M | 48.9 | Very low | 49.9 | Very low | 126 Ų | 126 | 96.3 Ų | 96.3 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -37.2 | 174.5 | -70.2 | -173 | 97 | 0 | 0 | 112.2 | L79 C80 | L79-M83 WeakPolarHBondContact O-CG 3.47Å; L79-M83 PolarHBondContact O-N 2.78Å; C80-M83 PolarHBondContact O-N 3.29Å |
| 84 | F | 42.4 | Very low | 48.9 | Very low | 188 Ų | 188 | 95.7 Ų | 95.7 | 83% | 0.825 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74.1 | -29.6 | 176.3 | -131 | -95.7 | 0 | 0 | 0 | 113.1 | C80 S81 T82 | C80-F84 PolarHBondContact O-N 3.43Å; S81-F84 PolarHBondContact O-N 2.95Å; T82-F84 VanDerWaalsContact C-N 3.31Å; T82-F84 PolarHBondContact O-N 2.86Å |
| 85 | L | 40.2 | Very low | 48.1 | Very low | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.8 | -44.3 | -177.3 | -121.8 | 87.6 | 0 | 0 | 0 | 113.7 | R35 S81 T82 | R35-L85 HydrophobicContact CB-CD1 4.28Å; R35-L85 HydrophobicContact CB-CG 4.48Å; R35-L85 HydrophobicContact CG-CD1 3.63Å; R35-L85 HydrophobicContact CG-CD2 4.2Å; R35-L85 HydrophobicContact CG-CG 3.68Å; R35-L85 PolarHBondContact NH2-O 3.38Å; S81-L85 WeakPolarHBondContact O-CB 3.21Å; S81-L85 PolarHBondContact O-N 3.25Å; T82-L85 PolarHBondContact O-N 3.19Å |
| 86 | M | 41.2 | Very low | 47.2 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 35% | 0.35 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -101.5 | -21.3 | -164.9 | -106.3 | 166.5 | -177 | 0 | 0 | 114.3 | T82 K90 Q91 R94 | T82-M86 PolarHBondContact O-N 3.13Å; M86-K90 WeakPolarHBondContact O-CB 3.47Å; M86-Q91 HydrophobicContact CB-CB 4.13Å; M86-Q91 HydrophobicContact CB-CG 4.24Å; M86-Q91 VanDerWaalsContact CB-OE1 3.29Å; M86-Q91 HydrophobicContact SD-CB 4.47Å; M86-Q91 HydrophobicContact SD-CG 3.86Å; M86-R94 VanDerWaalsContact CE-NH1 3.29Å |
| 87 | G | 45.7 | Very low | 46.4 | Very low | 30 Ų | 30 | 104.1 Ų | 104.1 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | trans | 69.5 | 126.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | M89 K90 Q91 | G87-M89 PolarHBondContact O-N 2.99Å; G87-K90 PolarHBondContact O-N 3.24Å; G87-Q91 PolarHBondContact O-N 2.89Å | ||
| 88 | P | 45 | Very low | 45.7 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -54.1 | -29.4 | -168.9 | 15.8 | -29.1 | 0 | 0 | 0 | 114.3 | ||
| 89 | M | 40.7 | Very low | 45.2 | Very low | 162 Ų | 162 | 113 Ų | 113 | 80% | 0.798 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -85.2 | -23.8 | 179.5 | -77.1 | -71.3 | 158.3 | 0 | 0 | 115.1 | G87 | G87-M89 PolarHBondContact O-N 2.99Å |
| 90 | K | 47.4 | Very low | 45.1 | Very low | 160 Ų | 160 | 114.3 Ų | 114.3 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -86.7 | -22 | 177.2 | -118.7 | 173.5 | -176.3 | 175.3 | 0 | 112.2 | M86 G87 R94 | M86-K90 WeakPolarHBondContact O-CB 3.47Å; G87-K90 PolarHBondContact O-N 3.24Å; K90-R94 WeakPolarHBondContact O-CB 3.49Å; K90-R94 PolarHBondContact O-N 2.91Å; K90-R94 VanDerWaalsContact O-N 3.13Å |
| 91 | Q | 37.4 | Very low | 44.5 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 33% | 0.327 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 175.6 | -157.4 | 157.5 | -37.5 | 0 | 0 | 111.9 | T82 M86 G87 M95 | T82-Q91 PolarHBondContact O-OE1 3.33Å; M86-Q91 HydrophobicContact CB-CB 4.13Å; M86-Q91 HydrophobicContact CB-CG 4.24Å; M86-Q91 VanDerWaalsContact CB-OE1 3.29Å; M86-Q91 HydrophobicContact SD-CB 4.47Å; M86-Q91 HydrophobicContact SD-CG 3.86Å; G87-Q91 PolarHBondContact O-N 2.89Å; Q91-M95 WeakPolarHBondContact O-CG 3.32Å |
| 92 | L | 47.3 | Very low | 44.5 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.8 | -39.6 | 175.7 | -164.2 | 65.3 | 0 | 0 | 0 | 111.9 | R94 M95 | L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.42Å; L92-M95 PolarHBondContact O-N 2.92Å |
| 93 | K | 43.8 | Very low | 44.6 | Very low | 181 Ų | 181 | 112 Ų | 112 | 79% | 0.787 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.4 | -24.1 | 179.6 | -145 | 172.9 | -172 | -178.7 | 0 | 113.4 | M95 | K93-M95 VanDerWaalsContact C-N 3.34Å |
| 94 | R | 43.7 | Very low | 44.7 | Very low | 133 Ų | 133 | 109.4 Ų | 109.4 | 50% | 0.502 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -79.2 | -9.6 | 174 | -103.4 | -173.7 | 177.3 | 177.3 | 1.3 | 114.3 | M86 K90 L92 C96 | M86-R94 VanDerWaalsContact CE-NH1 3.29Å; K90-R94 WeakPolarHBondContact O-CB 3.49Å; K90-R94 PolarHBondContact O-N 2.91Å; K90-R94 VanDerWaalsContact O-N 3.13Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.42Å; R94-C96 PolarHBondContact O-N 2.89Å |
| 95 | M | 41.8 | Very low | 45.2 | Very low | 116 Ų | 116 | 103.9 Ų | 103.9 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -72.8 | -7.4 | 173.6 | -61.5 | -155.8 | 98.7 | 0 | 0 | 113.4 | Q91 L92 K93 | Q91-M95 WeakPolarHBondContact O-CG 3.32Å; L92-M95 PolarHBondContact O-N 2.92Å; K93-M95 VanDerWaalsContact C-N 3.34Å |
| 96 | C | 42.7 | Very low | 46 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 80% | 0.797 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -84.8 | -2.6 | 175.7 | -92.8 | 0 | 0 | 0 | 0 | 115.2 | R94 | R94-C96 PolarHBondContact O-N 2.89Š|
| 97 | D | 43.7 | Very low | 46.7 | Very low | 115 Ų | 115 | 104.6 Ų | 104.6 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -108.1 | 101 | 178.3 | -138.6 | -55.6 | 0 | 0 | 0 | 110.7 | T99 R100 | D97-T99 PolarHBondContact O-N 2.91Å; D97-R100 PolarHBondContact O-N 3.31Å |
| 98 | K | 41.8 | Very low | 47.3 | Very low | 181 Ų | 181 | 107.5 Ų | 107.5 | 79% | 0.787 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.6 | -21.9 | -157.9 | -68.3 | 173.8 | -178.6 | 173.8 | 0 | 115.3 | ||
| 99 | T | 47 | Very low | 47.9 | Very low | 112 Ų | 112 | 106.3 Ų | 106.3 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -85.8 | -22.5 | -174.2 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | D97 | D97-T99 PolarHBondContact O-N 2.91Å |
| 100 | R | 51.5 | Low | 48.5 | Very low | 130 Ų | 130 | 99.7 Ų | 99.7 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -95.7 | -26.3 | -178.9 | -80.2 | -179 | 151.6 | 175.8 | -4.3 | 114 | D97 T104 | D97-R100 PolarHBondContact O-N 3.31Å; R100-T104 PolarHBondContact O-OG1 2.95Å |
| 101 | A | 46.3 | Very low | 49 | Very low | 20 Ų | 20 | 93.5 Ų | 93.5 | 17% | 0.165 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A103 T104 T105 | A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.36Å; A101-T104 PolarHBondContact O-N 3.24Å; A101-T104 PolarHBondContact O-OG1 2.98Å; A101-T105 WeakPolarHBondContact O-CB 3.19Å; A101-T105 PolarHBondContact O-N 3.38Å; A101-T105 PolarHBondContact O-OG1 3.39Å |
| 102 | L | 47.9 | Very low | 50 | Low | 113 Ų | 113 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.4 | -41.1 | 178.9 | -107.1 | 161.9 | 0 | 0 | 0 | 112.3 | I106 | L102-I106 HydrophobicContact CD2-CD1 4.09Å; L102-I106 WeakPolarHBondContact O-CB 3.42Å; L102-I106 WeakPolarHBondContact O-CD1 3.33Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.76Å |
| 103 | A | 50.1 | Low | 50.5 | Low | 16 Ų | 16 | 91.9 Ų | 91.9 | 13% | 0.132 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.3 | -39.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A101 M107 Y141 | A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 3.36Å; A103-M107 WeakPolarHBondContact O-CB 3.33Å; A103-M107 PolarHBondContact O-N 3.38Å; A103-Y141 HydrophobicContact CB-CD1 4.25Å; A103-Y141 HydrophobicContact CB-CD2 3.82Å; A103-Y141 HydrophobicContact CB-CE1 3.58Å; A103-Y141 HydrophobicContact CB-CE2 3.11Å; A103-Y141 HydrophobicContact CB-CG 4.35Å; A103-Y141 WeakPolarHBondContact CB-OH 3.02Å |
| 104 | T | 51.9 | Low | 51 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.3 | -41.6 | 178 | 9.5 | 0 | 0 | 0 | 0 | 110.2 | R100 A101 M107 I108 | R100-T104 PolarHBondContact O-OG1 2.95Å; A101-T104 PolarHBondContact O-N 3.24Å; A101-T104 PolarHBondContact O-OG1 2.98Å; T104-M107 PolarHBondContact O-N 2.9Å; T104-I108 WeakPolarHBondContact O-CB 3.46Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.2Å; T104-I108 PolarHBondContact O-N 2.93Å |
| 105 | T | 52.9 | Low | 51.6 | Low | 71 Ų | 71 | 79.8 Ų | 79.8 | 44% | 0.436 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.7 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | A101 M107 I108 T109 | A101-T105 WeakPolarHBondContact O-CB 3.19Å; A101-T105 PolarHBondContact O-N 3.38Å; A101-T105 PolarHBondContact O-OG1 3.39Å; T105-M107 VanDerWaalsContact C-N 3.32Å; T105-M107 PolarHBondContact O-N 2.8Å; T105-I108 PolarHBondContact O-N 2.8Å; T105-T109 VanDerWaalsContact O-CB 3.32Å; T105-T109 WeakPolarHBondContact O-CB 3.46Å; T105-T109 PolarHBondContact O-N 3.39Å; T105-T109 PolarHBondContact O-OG1 3.19Å |
| 106 | I | 56.3 | Low | 52.3 | Low | 94 Ų | 94 | 77.2 Ų | 77.2 | 48% | 0.482 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.6 | -70.4 | 163.5 | 0 | 0 | 0 | 110.7 | L102 T109 C110 | L102-I106 HydrophobicContact CD2-CD1 4.09Å; L102-I106 WeakPolarHBondContact O-CB 3.42Å; L102-I106 WeakPolarHBondContact O-CD1 3.33Å; L102-I106 WeakPolarHBondContact O-CG1 3.46Å; L102-I106 PolarHBondContact O-N 2.76Å; I106-T109 PolarHBondContact O-N 2.9Å; I106-C110 WeakPolarHBondContact O-CB 3.09Å; I106-C110 PolarHBondContact O-N 3.31Å |
| 107 | M | 56.1 | Low | 52.7 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.6 | -161.8 | -135 | 79.2 | 0 | 0 | 112 | A103 T104 T105 L111 F138 | A103-M107 WeakPolarHBondContact O-CB 3.33Å; A103-M107 PolarHBondContact O-N 3.38Å; T104-M107 PolarHBondContact O-N 2.9Å; T105-M107 VanDerWaalsContact C-N 3.32Å; T105-M107 PolarHBondContact O-N 2.8Å; M107-L111 HydrophobicContact CE-CD1 3.76Å; M107-L111 VanDerWaalsContact O-CB 3.3Å; M107-L111 WeakPolarHBondContact O-CB 3.5Å; M107-L111 PolarHBondContact O-N 3.37Å; M107-F138 HydrophobicContact CG-CE2 4.46Å |
| 108 | I | 58.7 | Low | 53.1 | Low | 92 Ų | 92 | 66.7 Ų | 66.7 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176.8 | -70.3 | 170.1 | 0 | 0 | 0 | 110.9 | T104 T105 C110 L111 V112 | T104-I108 WeakPolarHBondContact O-CB 3.46Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.2Å; T104-I108 PolarHBondContact O-N 2.93Å; T105-I108 PolarHBondContact O-N 2.8Å; I108-C110 VanDerWaalsContact C-N 3.31Å; I108-C110 PolarHBondContact O-N 3.06Å; I108-L111 WeakPolarHBondContact O-CB 3.07Å; I108-L111 PolarHBondContact O-N 3.25Å; I108-V112 WeakPolarHBondContact O-CG2 3.17Å; I108-V112 PolarHBondContact O-N 2.89Å |
| 109 | T | 56.3 | Low | 53.6 | Low | 73 Ų | 73 | 64.4 Ų | 64.4 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | T105 I106 L111 V112 L113 | T105-T109 VanDerWaalsContact O-CB 3.32Å; T105-T109 WeakPolarHBondContact O-CB 3.46Å; T105-T109 PolarHBondContact O-N 3.39Å; T105-T109 PolarHBondContact O-OG1 3.19Å; I106-T109 PolarHBondContact O-N 2.9Å; T109-L111 VanDerWaalsContact C-N 3.35Å; T109-V112 PolarHBondContact O-N 3.47Å; T109-L113 HydrophobicContact CG2-CD1 3.88Å; T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 WeakPolarHBondContact O-CD1 3.48Å; T109-L113 WeakPolarHBondContact O-CG 3.33Å; T109-L113 PolarHBondContact O-N 3.15Å |
| 110 | C | 53.8 | Low | 53.6 | Low | 23 Ų | 23 | 69.8 Ų | 69.8 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 178.6 | -148.9 | 0 | 0 | 0 | 0 | 111.5 | I106 I108 L113 T114 Q134 | I106-C110 WeakPolarHBondContact O-CB 3.09Å; I106-C110 PolarHBondContact O-N 3.31Å; I108-C110 VanDerWaalsContact C-N 3.31Å; I108-C110 PolarHBondContact O-N 3.06Å; C110-L113 PolarHBondContact O-N 2.83Å; C110-T114 WeakPolarHBondContact O-CB 3.26Å; C110-T114 PolarHBondContact O-N 2.86Å; C110-T114 PolarHBondContact O-OG1 3.27Å; C110-Q134 VanDerWaalsContact C-NE2 3.27Å; C110-Q134 HydrophobicContact CB-CG 4.25Å; C110-Q134 VanDerWaalsContact SG-CD 3.53Å |
| 111 | L | 57.8 | Low | 53.4 | Low | 30 Ų | 30 | 71.4 Ų | 71.4 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 171.7 | -170.4 | 167.4 | 0 | 0 | 0 | 111.8 | Y71 N75 M107 I108 T109 T114 L115 | Y71-L111 PolarHBondContact OH-O 2.79Å; Y71-L111 VanDerWaalsContact OH-O 3.08Å; N75-L111 WeakPolarHBondContact OD1-CD1 3.48Å; N75-L111 WeakPolarHBondContact OD1-CG 3.07Å; M107-L111 HydrophobicContact CE-CD1 3.76Å; M107-L111 VanDerWaalsContact O-CB 3.3Å; M107-L111 WeakPolarHBondContact O-CB 3.5Å; M107-L111 PolarHBondContact O-N 3.37Å; I108-L111 WeakPolarHBondContact O-CB 3.07Å; I108-L111 PolarHBondContact O-N 3.25Å; T109-L111 VanDerWaalsContact C-N 3.35Å; L111-T114 PolarHBondContact O-N 2.84Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 PolarHBondContact O-N 2.87Å |
| 112 | V | 59.3 | Low | 53.7 | Low | 77 Ų | 77 | 78.2 Ų | 78.2 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | I108 T109 L115 C116 | I108-V112 WeakPolarHBondContact O-CG2 3.17Å; I108-V112 PolarHBondContact O-N 2.89Å; T109-V112 PolarHBondContact O-N 3.47Å; V112-L115 PolarHBondContact O-N 3.24Å; V112-C116 WeakPolarHBondContact O-CB 3.49Å; V112-C116 PolarHBondContact O-N 2.79Å; V112-C116 PolarHBondContact O-SG 2.64Å; V112-C116 VanDerWaalsContact O-SG 3.39Å |
| 113 | L | 56.6 | Low | 54 | Low | 86 Ų | 86 | 77 Ų | 77 | 45% | 0.45 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.6 | -83.7 | 156.8 | 0 | 0 | 0 | 112.3 | T109 C110 L115 C116 A117 | T109-L113 HydrophobicContact CG2-CD1 3.88Å; T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 WeakPolarHBondContact O-CD1 3.48Å; T109-L113 WeakPolarHBondContact O-CG 3.33Å; T109-L113 PolarHBondContact O-N 3.15Å; C110-L113 PolarHBondContact O-N 2.83Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 2.93Å; L113-C116 PolarHBondContact O-N 2.9Å; L113-A117 WeakPolarHBondContact O-CB 3.37Å; L113-A117 PolarHBondContact O-N 2.88Å |
| 114 | T | 54.8 | Low | 54.2 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.3 | Y71 C110 L111 A117 A118 Q134 | Y71-T114 HydrophobicContact CE2-CG2 3.93Å; Y71-T114 WeakPolarHBondContact OH-CB 2.92Å; C110-T114 WeakPolarHBondContact O-CB 3.26Å; C110-T114 PolarHBondContact O-N 2.86Å; C110-T114 PolarHBondContact O-OG1 3.27Å; L111-T114 PolarHBondContact O-N 2.84Å; T114-A117 PolarHBondContact O-N 3.23Å; T114-A118 WeakPolarHBondContact O-CB 3.26Å; T114-A118 PolarHBondContact O-N 3.43Å; T114-Q134 PolarHBondContact OG1-OE1 3.29Å |
| 115 | L | 56.1 | Low | 54.4 | Low | 61 Ų | 61 | 79 Ų | 79 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 173.5 | -160.5 | 78.5 | 0 | 0 | 0 | 111.8 | Y71 L111 V112 L113 A118 F119 | Y71-L115 HydrophobicContact CD1-CD1 3.93Å; Y71-L115 HydrophobicContact CE1-CB 4.33Å; Y71-L115 HydrophobicContact CE1-CD1 3.64Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 PolarHBondContact O-N 2.87Å; V112-L115 PolarHBondContact O-N 3.24Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 2.93Å; L115-A118 PolarHBondContact O-N 3.07Å; L115-F119 HydrophobicContact CD1-CD2 4.28Å; L115-F119 HydrophobicContact CD1-CE2 4.21Å; L115-F119 HydrophobicContact CG-CD2 4.09Å; L115-F119 HydrophobicContact CG-CE2 4.38Å; L115-F119 WeakPolarHBondContact O-CB 3.33Å; L115-F119 PolarHBondContact O-N 3.19Å |
| 116 | C | 56.2 | Low | 54.4 | Low | 62 Ų | 62 | 79 Ų | 79 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.9 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | V112 L113 A118 W120 | V112-C116 WeakPolarHBondContact O-CB 3.49Å; V112-C116 PolarHBondContact O-N 2.79Å; V112-C116 PolarHBondContact O-SG 2.64Å; V112-C116 VanDerWaalsContact O-SG 3.39Å; L113-C116 PolarHBondContact O-N 2.9Å; C116-A118 VanDerWaalsContact C-N 3.33Å; C116-A118 PolarHBondContact O-N 3.38Å; C116-W120 WeakPolarHBondContact O-CA 3.45Å; C116-W120 WeakPolarHBondContact O-CB 3.22Å; C116-W120 PolarHBondContact O-N 3.46Å |
| 117 | A | 52 | Low | 54.4 | Low | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -64.4 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 T114 W121 K122 F130 | L113-A117 WeakPolarHBondContact O-CB 3.37Å; L113-A117 PolarHBondContact O-N 2.88Å; T114-A117 PolarHBondContact O-N 3.23Å; A117-W121 VanDerWaalsContact O-CB 3.31Å; A117-W121 WeakPolarHBondContact O-CB 3.45Å; A117-W121 PolarHBondContact O-N 3.11Å; A117-K122 PolarHBondContact O-N 2.78Å; A117-F130 HydrophobicContact CB-CD2 4.03Å; A117-F130 HydrophobicContact CB-CE2 4.32Å |
| 118 | A | 51.8 | Low | 54.5 | Low | 8 Ų | 8 | 74.4 Ų | 74.4 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -71.2 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T114 L115 C116 | T114-A118 WeakPolarHBondContact O-CB 3.26Å; T114-A118 PolarHBondContact O-N 3.43Å; L115-A118 PolarHBondContact O-N 3.07Å; C116-A118 VanDerWaalsContact C-N 3.33Å; C116-A118 PolarHBondContact O-N 3.38Å |
| 119 | F | 51.6 | Low | 54.6 | Low | 133 Ų | 133 | 74.8 Ų | 74.8 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | I | π-helix | trans | -77.4 | -44.6 | -178.6 | -96.6 | -89.3 | 0 | 0 | 0 | 113.4 | L115 | L115-F119 HydrophobicContact CD1-CD2 4.28Å; L115-F119 HydrophobicContact CD1-CE2 4.21Å; L115-F119 HydrophobicContact CG-CD2 4.09Å; L115-F119 HydrophobicContact CG-CE2 4.38Å; L115-F119 WeakPolarHBondContact O-CB 3.33Å; L115-F119 PolarHBondContact O-N 3.19Å |
| 120 | W | 47.7 | Very low | 54.7 | Low | 224 Ų | 224 | 74.3 Ų | 74.3 | 85% | 0.848 | 37% | 0.369 | S | S | * | . | I | π-helix | trans | -93.1 | -42.5 | -168.3 | -140.5 | -73.7 | 0 | 0 | 0 | 112.7 | C116 | C116-W120 WeakPolarHBondContact O-CA 3.45Å; C116-W120 WeakPolarHBondContact O-CB 3.22Å; C116-W120 PolarHBondContact O-N 3.46Å |
| 121 | W | 47.5 | Very low | 54.9 | Low | 164 Ų | 164 | 74.7 Ų | 74.7 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | I | π-helix | trans | -87.4 | -23 | -174.2 | -114.4 | -63 | 0 | 0 | 0 | 113.2 | A117 N123 L126 | A117-W121 VanDerWaalsContact O-CB 3.31Å; A117-W121 WeakPolarHBondContact O-CB 3.45Å; A117-W121 PolarHBondContact O-N 3.11Å; W121-N123 HydrophobicContact CB-CB 4.38Å; W121-N123 WeakPolarHBondContact O-CB 3.36Å; W121-N123 VanDerWaalsContact O-CG 3.28Å; W121-N123 PolarHBondContact O-N 3.33Å; W121-N123 PolarHBondContact O-ND2 2.77Å; W121-L126 HydrophobicContact CD2-CD2 4.49Å; W121-L126 HydrophobicContact CG-CD2 4.49Å |
| 122 | K | 53.5 | Low | 55.1 | Low | 163 Ų | 163 | 77.3 Ų | 77.3 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | trans | 43.1 | 24.7 | -175.1 | -77.5 | -167.4 | 171.2 | 174.5 | 0 | 113.9 | A117 | A117-K122 PolarHBondContact O-N 2.78Š| ||
| 123 | N | 53.3 | Low | 55 | Low | 87 Ų | 87 | 77.5 Ų | 77.5 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | trans | -105 | 109.3 | -173 | -87.3 | -26.3 | 0 | 0 | 0 | 109 | W121 G125 L126 A127 | W121-N123 HydrophobicContact CB-CB 4.38Å; W121-N123 WeakPolarHBondContact O-CB 3.36Å; W121-N123 VanDerWaalsContact O-CG 3.28Å; W121-N123 PolarHBondContact O-N 3.33Å; W121-N123 PolarHBondContact O-ND2 2.77Å; N123-G125 VanDerWaalsContact C-N 3.34Å; N123-G125 PolarHBondContact O-N 3.3Å; N123-L126 HydrophobicContact CB-CB 4.44Å; N123-L126 PolarHBondContact O-N 3.44Å; N123-A127 PolarHBondContact O-N 3.36Å | ||
| 124 | F | 53.3 | Low | 54.9 | Low | 83 Ų | 83 | 75.2 Ų | 75.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | -172.7 | -176.8 | -82.9 | 0 | 0 | 0 | 112.8 | L57 L64 L126 L128 | L57-F124 HydrophobicContact CD1-CE1 3.71Å; L57-F124 HydrophobicContact CD1-CZ 3.49Å; L57-F124 VanDerWaalsContact CD1-CZ 3.49Å; L57-F124 HydrophobicContact CD2-CD1 3.9Å; L57-F124 HydrophobicContact CD2-CE1 3Å; L57-F124 HydrophobicContact CD2-CE2 3.99Å; L57-F124 HydrophobicContact CD2-CZ 3.1Å; L57-F124 HydrophobicContact CG-CE1 3.55Å; L57-F124 HydrophobicContact CG-CE2 4.08Å; L57-F124 HydrophobicContact CG-CZ 3.14Å; L64-F124 HydrophobicContact CD1-CB 4.49Å; L64-F124 HydrophobicContact CD1-CD2 4.25Å; L64-F124 HydrophobicContact CG-CD2 4.28Å; F124-L126 PolarHBondContact O-N 2.95Å; F124-L128 HydrophobicContact CE1-CB 4.45Å; F124-L128 PolarHBondContact O-N 3.25Å |
| 125 | G | 56.2 | Low | 55 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.2 | -36 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | N123 L129 | N123-G125 VanDerWaalsContact C-N 3.34Å; N123-G125 PolarHBondContact O-N 3.3Å; G125-L129 WeakPolarHBondContact O-CB 3.32Å; G125-L129 PolarHBondContact O-N 3.22Å |
| 126 | L | 54 | Low | 55.1 | Low | 70 Ų | 70 | 81 Ų | 81 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71 | -41.2 | 179.4 | -108.9 | 71.4 | 0 | 0 | 0 | 111.6 | W121 N123 F124 L128 L129 F130 | W121-L126 HydrophobicContact CD2-CD2 4.49Å; W121-L126 HydrophobicContact CG-CD2 4.49Å; N123-L126 HydrophobicContact CB-CB 4.44Å; N123-L126 PolarHBondContact O-N 3.44Å; F124-L126 PolarHBondContact O-N 2.95Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.89Å; L126-L129 PolarHBondContact O-N 3.25Å; L126-F130 WeakPolarHBondContact O-CD2 3.09Å; L126-F130 PolarHBondContact O-N 3.16Å |
| 127 | A | 55 | Low | 54.9 | Low | 11 Ų | 11 | 81 Ų | 81 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N123 F130 C131 | N123-A127 PolarHBondContact O-N 3.36Å; A127-F130 PolarHBondContact O-N 3.27Å; A127-C131 WeakPolarHBondContact O-CB 3.29Å; A127-C131 PolarHBondContact O-N 3.32Å |
| 128 | L | 59.9 | Low | 54.9 | Low | 64 Ų | 64 | 85.2 Ų | 85.2 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 174.4 | -167.7 | 79.8 | 0 | 0 | 0 | 111.6 | L57 F124 L126 F130 C131 I132 | L57-L128 HydrophobicContact CD1-CD1 3.77Å; L57-L128 HydrophobicContact CD1-CD2 4.06Å; F124-L128 HydrophobicContact CE1-CB 4.45Å; F124-L128 PolarHBondContact O-N 3.25Å; L126-L128 VanDerWaalsContact C-N 3.34Å; L126-L128 PolarHBondContact O-N 2.89Å; L128-F130 PolarHBondContact O-N 3.36Å; L128-C131 WeakPolarHBondContact O-CB 3.37Å; L128-C131 PolarHBondContact O-N 3.17Å; L128-I132 HydrophobicContact CG-CD1 4.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 2.92Å |
| 129 | L | 60.5 | Low | 55 | Low | 99 Ų | 99 | 87.6 Ų | 87.6 | 52% | 0.518 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 177.7 | -175.2 | 70.1 | 0 | 0 | 0 | 111.5 | G125 L126 C131 I132 L133 | G125-L129 WeakPolarHBondContact O-CB 3.32Å; G125-L129 PolarHBondContact O-N 3.22Å; L126-L129 PolarHBondContact O-N 3.25Å; L129-C131 VanDerWaalsContact C-N 3.33Å; L129-C131 PolarHBondContact O-N 3.25Å; L129-I132 PolarHBondContact O-N 2.86Å; L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CB 3.11Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 2.91Å |
| 130 | F | 58.1 | Low | 55 | Low | 63 Ų | 63 | 87 Ų | 87 | 28% | 0.276 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.3 | -82.2 | -62.6 | 0 | 0 | 0 | 112.2 | A117 L126 A127 L128 I132 L133 Q134 | A117-F130 HydrophobicContact CB-CD2 4.03Å; A117-F130 HydrophobicContact CB-CE2 4.32Å; L126-F130 WeakPolarHBondContact O-CD2 3.09Å; L126-F130 PolarHBondContact O-N 3.16Å; A127-F130 PolarHBondContact O-N 3.27Å; L128-F130 PolarHBondContact O-N 3.36Å; F130-I132 PolarHBondContact O-N 3.12Å; F130-L133 HydrophobicContact CD1-CD1 4.48Å; F130-L133 PolarHBondContact O-N 3.06Å; F130-Q134 VanDerWaalsContact O-CB 3.31Å; F130-Q134 WeakPolarHBondContact O-CB 3.41Å; F130-Q134 PolarHBondContact O-N 2.93Å |
| 131 | C | 58 | Low | 55.3 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 177.2 | -154.5 | 0 | 0 | 0 | 0 | 112.3 | A127 L128 L129 Q134 I135 | A127-C131 WeakPolarHBondContact O-CB 3.29Å; A127-C131 PolarHBondContact O-N 3.32Å; L128-C131 WeakPolarHBondContact O-CB 3.37Å; L128-C131 PolarHBondContact O-N 3.17Å; L129-C131 VanDerWaalsContact C-N 3.33Å; L129-C131 PolarHBondContact O-N 3.25Å; C131-Q134 WeakPolarHBondContact O-CB 3.16Å; C131-Q134 PolarHBondContact O-N 2.97Å; C131-I135 WeakPolarHBondContact O-CG1 3.37Å; C131-I135 PolarHBondContact O-N 3.18Å |
| 132 | I | 60.9 | Low | 55.4 | Low | 86 Ų | 86 | 74.4 Ų | 74.4 | 44% | 0.441 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174 | -68.2 | 170.3 | 0 | 0 | 0 | 110.6 | L128 L129 F130 Q134 I135 L136 | L128-I132 HydrophobicContact CG-CD1 4.28Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 2.92Å; L129-I132 PolarHBondContact O-N 2.86Å; F130-I132 PolarHBondContact O-N 3.12Å; I132-Q134 PolarHBondContact O-N 2.85Å; I132-I135 PolarHBondContact O-N 3.5Å; I132-L136 HydrophobicContact CG2-CD1 4.02Å; I132-L136 WeakPolarHBondContact O-CB 3.23Å; I132-L136 PolarHBondContact O-N 2.81Å |
| 133 | L | 58.2 | Low | 55.2 | Low | 80 Ų | 80 | 70.3 Ų | 70.3 | 42% | 0.419 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -32.1 | 174.6 | -77.6 | 165.2 | 0 | 0 | 0 | 112.3 | L129 F130 S137 | L129-L133 HydrophobicContact CG-CD1 4.22Å; L129-L133 WeakPolarHBondContact O-CB 3.11Å; L129-L133 WeakPolarHBondContact O-CG 3.25Å; L129-L133 PolarHBondContact O-N 2.91Å; F130-L133 HydrophobicContact CD1-CD1 4.48Å; F130-L133 PolarHBondContact O-N 3.06Å; L133-S137 WeakPolarHBondContact O-CB 3.24Å; L133-S137 PolarHBondContact O-N 2.79Å; L133-S137 PolarHBondContact O-OG 2.82Å |
| 134 | Q | 55.4 | Low | 54.8 | Low | 39 Ų | 39 | 66.9 Ų | 66.9 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72 | -41.5 | 178 | -156.2 | 150.4 | 7.4 | 0 | 0 | 111.2 | C110 T114 F130 C131 I132 S137 F138 | C110-Q134 VanDerWaalsContact C-NE2 3.27Å; C110-Q134 HydrophobicContact CB-CG 4.25Å; C110-Q134 VanDerWaalsContact SG-CD 3.53Å; T114-Q134 PolarHBondContact OG1-OE1 3.29Å; F130-Q134 VanDerWaalsContact O-CB 3.31Å; F130-Q134 WeakPolarHBondContact O-CB 3.41Å; F130-Q134 PolarHBondContact O-N 2.93Å; C131-Q134 WeakPolarHBondContact O-CB 3.16Å; C131-Q134 PolarHBondContact O-N 2.97Å; I132-Q134 PolarHBondContact O-N 2.85Å; Q134-S137 PolarHBondContact O-N 2.82Å; Q134-F138 WeakPolarHBondContact O-CB 3.3Å; Q134-F138 PolarHBondContact O-N 3.35Å |
| 135 | I | 56.4 | Low | 54.5 | Low | 77 Ų | 77 | 69.2 Ų | 69.2 | 40% | 0.395 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 172.7 | -65.1 | 164.7 | 0 | 0 | 0 | 110.8 | T50 C131 I132 F138 S139 | T50-I135 HydrophobicContact CG2-CD1 3.53Å; C131-I135 WeakPolarHBondContact O-CG1 3.37Å; C131-I135 PolarHBondContact O-N 3.18Å; I132-I135 PolarHBondContact O-N 3.5Å; I135-F138 PolarHBondContact O-N 3.35Å; I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 2.96Å; I135-S139 PolarHBondContact O-OG 3.03Å |
| 136 | L | 57.3 | Low | 54 | Low | 105 Ų | 105 | 71.6 Ų | 71.6 | 55% | 0.55 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.6 | -83 | 163.8 | 0 | 0 | 0 | 111.5 | I132 F138 S139 W140 | I132-L136 HydrophobicContact CG2-CD1 4.02Å; I132-L136 WeakPolarHBondContact O-CB 3.23Å; I132-L136 PolarHBondContact O-N 2.81Å; L136-F138 VanDerWaalsContact C-N 3.33Å; L136-F138 PolarHBondContact O-N 2.72Å; L136-S139 PolarHBondContact O-N 3.45Å; L136-W140 VanDerWaalsContact O-CB 3.3Å; L136-W140 WeakPolarHBondContact O-CB 3.42Å; L136-W140 PolarHBondContact O-N 3.09Å |
| 137 | S | 52.1 | Low | 53.6 | Low | 61 Ų | 61 | 73.1 Ų | 73.1 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 177 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | L133 Q134 W140 Y141 | L133-S137 WeakPolarHBondContact O-CB 3.24Å; L133-S137 PolarHBondContact O-N 2.79Å; L133-S137 PolarHBondContact O-OG 2.82Å; Q134-S137 PolarHBondContact O-N 2.82Å; S137-W140 PolarHBondContact O-N 3.21Å; S137-Y141 VanDerWaalsContact O-CB 3.24Å; S137-Y141 WeakPolarHBondContact O-CB 3.5Å; S137-Y141 PolarHBondContact O-N 3.32Å |
| 138 | F | 53.1 | Low | 53.3 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 177.5 | -149.7 | -87 | 0 | 0 | 0 | 112.1 | M107 Q134 I135 L136 Y141 S142 | M107-F138 HydrophobicContact CG-CE2 4.46Å; Q134-F138 WeakPolarHBondContact O-CB 3.3Å; Q134-F138 PolarHBondContact O-N 3.35Å; I135-F138 PolarHBondContact O-N 3.35Å; L136-F138 VanDerWaalsContact C-N 3.33Å; L136-F138 PolarHBondContact O-N 2.72Å; F138-Y141 PolarHBondContact O-N 2.82Å; F138-S142 WeakPolarHBondContact O-CB 3.28Å; F138-S142 PolarHBondContact O-N 3.5Å; F138-S142 PolarHBondContact O-OG 3.46Å |
| 139 | S | 53.7 | Low | 52.8 | Low | 58 Ų | 58 | 75.3 Ų | 75.3 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | I135 L136 S142 L143 | I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 2.96Å; I135-S139 PolarHBondContact O-OG 3.03Å; L136-S139 PolarHBondContact O-N 3.45Å; S139-S142 PolarHBondContact O-N 2.73Å; S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.2Å |
| 140 | W | 50.8 | Low | 52.1 | Low | 121 Ų | 121 | 75.5 Ų | 75.5 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 172.4 | -159.9 | -91.6 | 0 | 0 | 0 | 111.2 | L136 S137 S142 L143 S144 I153 V157 | L136-W140 VanDerWaalsContact O-CB 3.3Å; L136-W140 WeakPolarHBondContact O-CB 3.42Å; L136-W140 PolarHBondContact O-N 3.09Å; S137-W140 PolarHBondContact O-N 3.21Å; W140-S142 VanDerWaalsContact C-N 3.26Å; W140-S142 PolarHBondContact O-N 3.3Å; W140-L143 PolarHBondContact O-N 2.98Å; W140-S144 WeakPolarHBondContact O-CB 3.28Å; W140-S144 PolarHBondContact O-N 2.92Å; W140-S144 PolarHBondContact O-OG 3.15Å; W140-I153 HydrophobicContact CE3-CD1 4.33Å; W140-I153 HydrophobicContact CH2-CB 4.1Å; W140-I153 HydrophobicContact CH2-CD1 4.43Å; W140-I153 HydrophobicContact CH2-CG2 3.04Å; W140-I153 HydrophobicContact CZ2-CB 4.34Å; W140-I153 HydrophobicContact CZ2-CG2 3.68Å; W140-I153 HydrophobicContact CZ3-CD1 4.19Å; W140-I153 HydrophobicContact CZ3-CG2 3.56Å; W140-V157 HydrophobicContact CH2-CG2 4.5Å |
| 141 | Y | 54.7 | Low | 52 | Low | 67 Ų | 67 | 77.4 Ų | 77.4 | 26% | 0.263 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -26.8 | 177.5 | -173.3 | -106.2 | 0 | 0 | 0 | 113.2 | A103 S137 F138 S144 Y145 | A103-Y141 HydrophobicContact CB-CD1 4.25Å; A103-Y141 HydrophobicContact CB-CD2 3.82Å; A103-Y141 HydrophobicContact CB-CE1 3.58Å; A103-Y141 HydrophobicContact CB-CE2 3.11Å; A103-Y141 HydrophobicContact CB-CG 4.35Å; A103-Y141 WeakPolarHBondContact CB-OH 3.02Å; S137-Y141 VanDerWaalsContact O-CB 3.24Å; S137-Y141 WeakPolarHBondContact O-CB 3.5Å; S137-Y141 PolarHBondContact O-N 3.32Å; F138-Y141 PolarHBondContact O-N 2.82Å; Y141-S144 VanDerWaalsContact O-CB 3.26Å; Y141-S144 WeakPolarHBondContact O-CB 3.26Å; Y141-Y145 HydrophobicContact CD1-CE2 4.35Å; Y141-Y145 HydrophobicContact CE1-CD2 4.42Å; Y141-Y145 AromaticContact CE1-CE2 3.59Å; Y141-Y145 HydrophobicContact CE1-CE2 3.59Å; Y141-Y145 HydrophobicContact CE2-CE2 4.37Å; Y141-Y145 AromaticContact CZ-CE2 3.56Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.31Å; Y141-Y145 PolarHBondContact OH-OH 3.27Å |
| 142 | S | 50 | Low | 52 | Low | 57 Ų | 57 | 78.7 Ų | 78.7 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -78.2 | -45.6 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | F138 S139 W140 S144 Y145 | F138-S142 WeakPolarHBondContact O-CB 3.28Å; F138-S142 PolarHBondContact O-N 3.5Å; F138-S142 PolarHBondContact O-OG 3.46Å; S139-S142 PolarHBondContact O-N 2.73Å; W140-S142 VanDerWaalsContact C-N 3.26Å; W140-S142 PolarHBondContact O-N 3.3Å; S142-S144 PolarHBondContact O-N 2.54Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-Y145 PolarHBondContact O-N 3.25Å |
| 143 | L | 48.3 | Very low | 51.7 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 40% | 0.398 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.8 | -27.6 | 171.2 | -111 | 78.4 | 0 | 0 | 0 | 112 | S139 W140 Y145 I146 A149 I153 | S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.2Å; W140-L143 PolarHBondContact O-N 2.98Å; L143-Y145 PolarHBondContact O-N 3.36Å; L143-I146 PolarHBondContact O-N 3.32Å; L143-I146 VanDerWaalsContact O-N 3.08Å; L143-A149 HydrophobicContact CB-CB 4.36Å; L143-A149 HydrophobicContact CD2-CB 4.01Å; L143-A149 HydrophobicContact CG-CB 3.96Å; L143-I153 HydrophobicContact CD2-CD1 3.31Å; L143-I153 HydrophobicContact CD2-CG1 4.43Å |
| 144 | S | 46 | Very low | 51.7 | Low | 16 Ų | 16 | 78 Ų | 78 | 11% | 0.112 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.4 | -179.4 | -73.3 | 0 | 0 | 0 | 0 | 116.1 | W140 Y141 S142 I146 R150 | W140-S144 WeakPolarHBondContact O-CB 3.28Å; W140-S144 PolarHBondContact O-N 2.92Å; W140-S144 PolarHBondContact O-OG 3.15Å; Y141-S144 VanDerWaalsContact O-CB 3.26Å; Y141-S144 WeakPolarHBondContact O-CB 3.26Å; S142-S144 PolarHBondContact O-N 2.54Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S144-I146 VanDerWaalsContact C-N 3.27Å; S144-R150 VanDerWaalsContact CA-CD 3.4Å; S144-R150 WeakPolarHBondContact O-CG 3.32Å; S144-R150 PolarHBondContact O-NE 2.92Å; S144-R150 VanDerWaalsContact OG-CD 3.28Å; S144-R150 WeakPolarHBondContact OG-CD 3.17Å; S144-R150 PolarHBondContact OG-NE 2.82Å; S144-R150 PolarHBondContact OG-NH1 3.06Å; S144-R150 PolarHBondContact OG-NH2 3.08Å |
| 145 | Y | 45 | Very low | 51.9 | Low | 131 Ų | 131 | 82.1 Ų | 82.1 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -15.8 | 174.6 | -90.8 | -87.5 | 0 | 0 | 0 | 112.6 | Y141 S142 L143 P147 | Y141-Y145 HydrophobicContact CD1-CE2 4.35Å; Y141-Y145 HydrophobicContact CE1-CD2 4.42Å; Y141-Y145 AromaticContact CE1-CE2 3.59Å; Y141-Y145 HydrophobicContact CE1-CE2 3.59Å; Y141-Y145 HydrophobicContact CE2-CE2 4.37Å; Y141-Y145 AromaticContact CZ-CE2 3.56Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.31Å; Y141-Y145 PolarHBondContact OH-OH 3.27Å; S142-Y145 PolarHBondContact O-N 3.25Å; L143-Y145 PolarHBondContact O-N 3.36Å; Y145-P147 VanDerWaalsContact O-CD 3.31Å; Y145-P147 WeakPolarHBondContact O-CD 3.5Å |
| 146 | I | 45.7 | Very low | 51.9 | Low | 98 Ų | 98 | 81 Ų | 81 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -98.2 | 103.5 | 174.4 | -58 | 168.8 | 0 | 0 | 0 | 106.9 | L143 S144 C148 A149 R150 | L143-I146 PolarHBondContact O-N 3.32Å; L143-I146 VanDerWaalsContact O-N 3.08Å; S144-I146 VanDerWaalsContact C-N 3.27Å; I146-C148 HydrophobicContact CG2-CB 4.21Å; I146-C148 PolarHBondContact O-N 2.86Å; I146-A149 HydrophobicContact CB-CB 4.08Å; I146-A149 HydrophobicContact CG2-CB 4.2Å; I146-A149 PolarHBondContact O-N 3.29Å; I146-R150 PolarHBondContact O-N 3.13Å |
| 147 | P | 45.7 | Very low | 51.9 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 66% | 0.662 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -55.4 | -30.5 | -176.3 | 17.8 | -29.4 | 0 | 0 | 0 | 112.9 | Y145 E151 | Y145-P147 VanDerWaalsContact O-CD 3.31Å; Y145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-E151 WeakPolarHBondContact O-CG 3.45Å; P147-E151 PolarHBondContact O-N 3.34Å |
| 148 | C | 50.1 | Low | 52.3 | Low | 101 Ų | 101 | 79.3 Ų | 79.3 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.2 | -33.8 | 174.2 | -71.8 | 0 | 0 | 0 | 0 | 114.7 | I146 A152 | I146-C148 HydrophobicContact CG2-CB 4.21Å; I146-C148 PolarHBondContact O-N 2.86Å; C148-A152 WeakPolarHBondContact O-CB 3.23Å; C148-A152 PolarHBondContact O-N 3.43Å |
| 149 | A | 48.1 | Very low | 52.7 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 17% | 0.174 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -79.2 | -35.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L143 I146 A152 I153 | L143-A149 HydrophobicContact CB-CB 4.36Å; L143-A149 HydrophobicContact CD2-CB 4.01Å; L143-A149 HydrophobicContact CG-CB 3.96Å; I146-A149 HydrophobicContact CB-CB 4.08Å; I146-A149 HydrophobicContact CG2-CB 4.2Å; I146-A149 PolarHBondContact O-N 3.29Å; A149-A152 PolarHBondContact O-N 3.06Å; A149-I153 VanDerWaalsContact O-CG1 3.32Å; A149-I153 WeakPolarHBondContact O-CG1 3.37Å; A149-I153 PolarHBondContact O-N 3.46Å; A149-I153 VanDerWaalsContact O-N 3.09Å |
| 150 | R | 47.5 | Very low | 52.4 | Low | 102 Ų | 102 | 83.5 Ų | 83.5 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.7 | -52.1 | 170.3 | -73.5 | -79.4 | -139 | -178.1 | -0.8 | 112.1 | S144 I146 I153 M154 | S144-R150 VanDerWaalsContact CA-CD 3.4Å; S144-R150 WeakPolarHBondContact O-CG 3.32Å; S144-R150 PolarHBondContact O-NE 2.92Å; S144-R150 VanDerWaalsContact OG-CD 3.28Å; S144-R150 WeakPolarHBondContact OG-CD 3.17Å; S144-R150 PolarHBondContact OG-NE 2.82Å; S144-R150 PolarHBondContact OG-NH1 3.06Å; S144-R150 PolarHBondContact OG-NH2 3.08Å; I146-R150 PolarHBondContact O-N 3.13Å; R150-I153 PolarHBondContact O-N 3.31Å; R150-M154 PolarHBondContact O-N 2.84Å |
| 151 | E | 55.3 | Low | 52.3 | Low | 103 Ų | 103 | 85.1 Ų | 85.1 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 179.4 | -82.1 | -87.6 | 143.1 | 0 | 0 | 111.1 | P147 I153 K155 | P147-E151 WeakPolarHBondContact O-CG 3.45Å; P147-E151 PolarHBondContact O-N 3.34Å; E151-I153 PolarHBondContact O-N 3.37Å; E151-K155 WeakPolarHBondContact O-CB 3.32Å; E151-K155 VanDerWaalsContact O-CG 3.24Å; E151-K155 WeakPolarHBondContact O-CG 3.21Å; E151-K155 PolarHBondContact O-N 3.19Å; E151-K155 WeakPolarHBondContact OE2-CE 3.39Å; E151-K155 IonicContact OE2-NZ 3.32Å; E151-K155 PolarHBondContact OE2-NZ 3.09Å |
| 152 | A | 56.9 | Low | 51.7 | Low | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C148 A149 A156 | C148-A152 WeakPolarHBondContact O-CB 3.23Å; C148-A152 PolarHBondContact O-N 3.43Å; A149-A152 PolarHBondContact O-N 3.06Å; A152-A156 WeakPolarHBondContact O-CB 3.47Å; A152-A156 PolarHBondContact O-N 3.42Å |
| 153 | I | 56.3 | Low | 51.8 | Low | 37 Ų | 37 | 95.1 Ų | 95.1 | 19% | 0.19 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -77.3 | -40.1 | -178.6 | -57.1 | 164.7 | 0 | 0 | 0 | 112.2 | W140 L143 A149 R150 E151 K155 A156 V157 | W140-I153 HydrophobicContact CE3-CD1 4.33Å; W140-I153 HydrophobicContact CH2-CB 4.1Å; W140-I153 HydrophobicContact CH2-CD1 4.43Å; W140-I153 HydrophobicContact CH2-CG2 3.04Å; W140-I153 HydrophobicContact CZ2-CB 4.34Å; W140-I153 HydrophobicContact CZ2-CG2 3.68Å; W140-I153 HydrophobicContact CZ3-CD1 4.19Å; W140-I153 HydrophobicContact CZ3-CG2 3.56Å; L143-I153 HydrophobicContact CD2-CD1 3.31Å; L143-I153 HydrophobicContact CD2-CG1 4.43Å; A149-I153 VanDerWaalsContact O-CG1 3.32Å; A149-I153 WeakPolarHBondContact O-CG1 3.37Å; A149-I153 PolarHBondContact O-N 3.46Å; A149-I153 VanDerWaalsContact O-N 3.09Å; R150-I153 PolarHBondContact O-N 3.31Å; E151-I153 PolarHBondContact O-N 3.37Å; I153-K155 PolarHBondContact O-N 3.02Å; I153-A156 PolarHBondContact O-N 3.44Å; I153-A156 VanDerWaalsContact O-N 3.13Å; I153-V157 HydrophobicContact CG2-CG2 4.04Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 2.91Å |
| 154 | M | 57 | Low | 52 | Low | 115 Ų | 115 | 96.1 Ų | 96.1 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -37 | 173.7 | -77.2 | -170 | -66.6 | 0 | 0 | 111.1 | R150 A158 | R150-M154 PolarHBondContact O-N 2.84Å; M154-A158 WeakPolarHBondContact O-CB 3.18Å; M154-A158 PolarHBondContact O-N 2.97Å |
| 155 | K | 59 | Low | 52.3 | Low | 125 Ų | 125 | 100.6 Ų | 100.6 | 54% | 0.543 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 172.3 | -72.3 | 178 | -175 | 178 | 0 | 112.4 | E151 I153 V157 A158 I159 | E151-K155 WeakPolarHBondContact O-CB 3.32Å; E151-K155 VanDerWaalsContact O-CG 3.24Å; E151-K155 WeakPolarHBondContact O-CG 3.21Å; E151-K155 PolarHBondContact O-N 3.19Å; E151-K155 WeakPolarHBondContact OE2-CE 3.39Å; E151-K155 IonicContact OE2-NZ 3.32Å; E151-K155 PolarHBondContact OE2-NZ 3.09Å; I153-K155 PolarHBondContact O-N 3.02Å; K155-V157 PolarHBondContact O-N 2.91Å; K155-A158 PolarHBondContact O-N 3.29Å; K155-I159 WeakPolarHBondContact O-CB 3.46Å; K155-I159 WeakPolarHBondContact O-CD1 3.43Å; K155-I159 WeakPolarHBondContact O-CG1 3.38Å; K155-I159 PolarHBondContact O-N 3.49Å |
| 156 | A | 58.2 | Low | 52.7 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A152 I153 I159 C160 | A152-A156 WeakPolarHBondContact O-CB 3.47Å; A152-A156 PolarHBondContact O-N 3.42Å; I153-A156 PolarHBondContact O-N 3.44Å; I153-A156 VanDerWaalsContact O-N 3.13Å; A156-I159 PolarHBondContact O-N 2.93Å; A156-C160 WeakPolarHBondContact O-CB 3.42Å; A156-C160 PolarHBondContact O-N 3.39Å |
| 157 | V | 56.8 | Low | 53.2 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | W140 I153 K155 I159 C160 M161 | W140-V157 HydrophobicContact CH2-CG2 4.5Å; I153-V157 HydrophobicContact CG2-CG2 4.04Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 2.91Å; K155-V157 PolarHBondContact O-N 2.91Å; V157-I159 VanDerWaalsContact C-N 3.3Å; V157-I159 PolarHBondContact O-N 3.32Å; V157-C160 PolarHBondContact O-N 3.34Å; V157-M161 VanDerWaalsContact O-CB 3.23Å; V157-M161 WeakPolarHBondContact O-CB 3.44Å; V157-M161 PolarHBondContact O-N 3Å |
| 158 | A | 60.3 | Low | 53.7 | Low | 58 Ų | 58 | 98.6 Ų | 98.6 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M154 K155 | M154-A158 WeakPolarHBondContact O-CB 3.18Å; M154-A158 PolarHBondContact O-N 2.97Å; K155-A158 PolarHBondContact O-N 3.29Å |
| 159 | I | 61.1 | Low | 53.9 | Low | 126 Ų | 126 | 98.4 Ų | 98.4 | 65% | 0.646 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.3 | -38.4 | 174.5 | -69.4 | 163.6 | 0 | 0 | 0 | 111.1 | K155 A156 V157 M161 | K155-I159 WeakPolarHBondContact O-CB 3.46Å; K155-I159 WeakPolarHBondContact O-CD1 3.43Å; K155-I159 WeakPolarHBondContact O-CG1 3.38Å; K155-I159 PolarHBondContact O-N 3.49Å; A156-I159 PolarHBondContact O-N 2.93Å; V157-I159 VanDerWaalsContact C-N 3.3Å; V157-I159 PolarHBondContact O-N 3.32Å; I159-M161 VanDerWaalsContact C-N 3.33Å |
| 160 | C | 48.2 | Very low | 54.4 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 76% | 0.757 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.2 | -18.9 | -177.8 | -157.4 | 0 | 0 | 0 | 0 | 113.5 | A156 V157 K162 | A156-C160 WeakPolarHBondContact O-CB 3.42Å; A156-C160 PolarHBondContact O-N 3.39Å; V157-C160 PolarHBondContact O-N 3.34Å; C160-K162 VanDerWaalsContact C-N 3.34Å |
| 161 | M | 48.5 | Very low | 54.9 | Low | 156 Ų | 156 | 104.6 Ų | 104.6 | 77% | 0.768 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 8.9 | 178 | -157.6 | 171 | 51.9 | 0 | 0 | 112.4 | V157 I159 | V157-M161 VanDerWaalsContact O-CB 3.23Å; V157-M161 WeakPolarHBondContact O-CB 3.44Å; V157-M161 PolarHBondContact O-N 3Å; I159-M161 VanDerWaalsContact C-N 3.33Å |
| 162 | K | 41.6 | Very low | 54.9 | Low | 238 Ų | 238 | 104.7 Ų | 104.7 | 100% | 1.035 | 58% | 0.578 | S | S | * | * | trans | -111.8 | 0 | 171.3 | -177 | 166.5 | -176.1 | 160.2 | 0 | 109.4 | C160 | C160-K162 VanDerWaalsContact C-N 3.34Š|
Retrieved 162 of 162 residues in 83.7 ms
(Link to these results)