| 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 | 73.8 | Confident | 90.3 | Very high | 239 Ų | 239 | 124.8 Ų | 124.8 | 100% | 1.177 | 61% | 0.612 | S | S | * | * | 0 | 125.8 | 0 | -162.5 | 175.7 | -138 | 0 | 0 | 105.9 | D3 | M1-D3 PolarHBondContact O-N 3.07Š| |||
| 2 | L | 75.9 | Confident | 90.7 | Very high | 163 Ų | 163 | 122.8 Ų | 122.8 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | trans | -62.8 | 122.8 | 179.1 | -76.7 | 162.9 | 0 | 0 | 0 | 108.5 | I4 | L2-I4 PolarHBondContact O-N 3.48Å; L2-I4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 90.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 121 Ų | 121 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | trans | -80.9 | 90.3 | 177.2 | -166.1 | -24.6 | 0 | 0 | 0 | 109.5 | M1 K5 A6 W7 | M1-D3 PolarHBondContact O-N 3.07Å; D3-K5 PolarHBondContact O-N 3.34Å; D3-K5 PolarHBondContact OD1-N 3.09Å; D3-K5 VanDerWaalsContact OD1-N 3.12Å; D3-A6 HydrophobicContact CB-CB 4.07Å; D3-A6 PolarHBondContact OD1-N 3.29Å; D3-A6 VanDerWaalsContact OD1-N 3.09Å; D3-W7 PolarHBondContact O-N 3.24Å; D3-W7 VanDerWaalsContact O-N 3.13Å | ||
| 4 | I | 92.9 | Very high | 91.5 | Very high | 124 Ų | 124 | 117.4 Ų | 117.4 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.3 | -29.5 | -178 | -61.9 | 170 | 0 | 0 | 0 | 110.9 | L2 A8 | L2-I4 PolarHBondContact O-N 3.48Å; L2-I4 VanDerWaalsContact O-N 3.09Å; I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 3.07Å |
| 5 | K | 93.1 | Very high | 91.8 | Very high | 163 Ų | 163 | 111.6 Ų | 111.6 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.4 | -50.6 | 179.7 | -71.2 | -174.4 | 174.9 | -175.3 | 0 | 110.4 | D3 W7 A8 E9 | D3-K5 PolarHBondContact O-N 3.34Å; D3-K5 PolarHBondContact OD1-N 3.09Å; D3-K5 VanDerWaalsContact OD1-N 3.12Å; K5-W7 VanDerWaalsContact C-N 3.25Å; K5-W7 PolarHBondContact O-N 2.85Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.16Å; K5-E9 WeakPolarHBondContact O-CG 3.44Å; K5-E9 PolarHBondContact O-N 3.32Å |
| 6 | A | 93.8 | Very high | 92 | Very high | 50 Ų | 50 | 109.4 Ų | 109.4 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | D3 Y10 | D3-A6 HydrophobicContact CB-CB 4.07Å; D3-A6 PolarHBondContact OD1-N 3.29Å; D3-A6 VanDerWaalsContact OD1-N 3.09Å; A6-Y10 WeakPolarHBondContact O-CB 3.37Å; A6-Y10 PolarHBondContact O-N 3.42Å; A6-Y10 VanDerWaalsContact O-N 3.1Å |
| 7 | W | 94.4 | Very high | 92.3 | Very high | 165 Ų | 165 | 112.1 Ų | 112.1 | 63% | 0.625 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -46.1 | 174.7 | 176.9 | 76.9 | 0 | 0 | 0 | 112.6 | D3 K5 Y10 I11 | D3-W7 PolarHBondContact O-N 3.24Å; D3-W7 VanDerWaalsContact O-N 3.13Å; K5-W7 VanDerWaalsContact C-N 3.25Å; K5-W7 PolarHBondContact O-N 2.85Å; W7-Y10 PolarHBondContact O-N 3.45Å; W7-I11 HydrophobicContact CD2-CG1 4.3Å; W7-I11 HydrophobicContact CZ2-CD1 4.46Å; W7-I11 HydrophobicContact CZ2-CG1 4.06Å; W7-I11 WeakPolarHBondContact O-CG1 3.35Å; W7-I11 PolarHBondContact O-N 2.92Å; W7-I11 VanDerWaalsContact O-N 3.07Å |
| 8 | A | 94.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 110.1 Ų | 110.1 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I4 K5 Y10 I11 V12 | I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 3.07Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.16Å; A8-Y10 VanDerWaalsContact C-N 3.35Å; A8-Y10 PolarHBondContact O-N 3.29Å; A8-I11 PolarHBondContact O-N 3.05Å; A8-V12 VanDerWaalsContact O-CG2 3.31Å; A8-V12 WeakPolarHBondContact O-CG2 3.27Å; A8-V12 PolarHBondContact O-N 2.94Å |
| 9 | E | 95.6 | Very high | 92.6 | Very high | 135 Ų | 135 | 107.7 Ų | 107.7 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.7 | -45.2 | 175.6 | -74.9 | 174.6 | -172.1 | 0 | 0 | 111.4 | K5 I11 V12 E13 | K5-E9 WeakPolarHBondContact O-CG 3.44Å; K5-E9 PolarHBondContact O-N 3.32Å; E9-I11 PolarHBondContact O-N 3.46Å; E9-V12 PolarHBondContact O-N 3.5Å; E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.85Å |
| 10 | Y | 94.5 | Very high | 92.8 | Very high | 146 Ų | 146 | 111.6 Ų | 111.6 | 57% | 0.573 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.1 | -45.1 | 175.1 | 171.2 | -101.2 | 0 | 0 | 0 | 112.6 | A6 W7 A8 E13 W14 | A6-Y10 WeakPolarHBondContact O-CB 3.37Å; A6-Y10 PolarHBondContact O-N 3.42Å; A6-Y10 VanDerWaalsContact O-N 3.1Å; W7-Y10 PolarHBondContact O-N 3.45Å; A8-Y10 VanDerWaalsContact C-N 3.35Å; A8-Y10 PolarHBondContact O-N 3.29Å; Y10-E13 PolarHBondContact O-N 3.41Å; Y10-W14 WeakPolarHBondContact O-CB 3.42Å; Y10-W14 PolarHBondContact O-N 3.05Å |
| 11 | I | 93.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 107.2 Ų | 107.2 | 22% | 0.221 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 179 | -66.7 | -64.4 | 0 | 0 | 0 | 111.2 | W7 A8 E9 W14 A15 F22 | W7-I11 HydrophobicContact CD2-CG1 4.3Å; W7-I11 HydrophobicContact CZ2-CD1 4.46Å; W7-I11 HydrophobicContact CZ2-CG1 4.06Å; W7-I11 WeakPolarHBondContact O-CG1 3.35Å; W7-I11 PolarHBondContact O-N 2.92Å; W7-I11 VanDerWaalsContact O-N 3.07Å; A8-I11 PolarHBondContact O-N 3.05Å; E9-I11 PolarHBondContact O-N 3.46Å; I11-W14 HydrophobicContact CD1-CE3 4.26Å; I11-W14 PolarHBondContact O-N 3.17Å; I11-A15 WeakPolarHBondContact O-CB 3.43Å; I11-A15 PolarHBondContact O-N 3.06Å; I11-F22 HydrophobicContact CG2-CE2 3.87Å; I11-F22 HydrophobicContact CG2-CZ 4.22Å |
| 12 | V | 94.9 | Very high | 94 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 111 | A8 E9 W14 A15 A16 | A8-V12 VanDerWaalsContact O-CG2 3.31Å; A8-V12 WeakPolarHBondContact O-CG2 3.27Å; A8-V12 PolarHBondContact O-N 2.94Å; E9-V12 PolarHBondContact O-N 3.5Å; V12-W14 VanDerWaalsContact C-N 3.32Å; V12-W14 PolarHBondContact O-N 3.07Å; V12-A15 PolarHBondContact O-N 3.44Å; V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.48Å |
| 13 | E | 96.6 | Very high | 95 | Very high | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177 | -170.4 | -178 | 168 | 0 | 0 | 111.4 | E9 Y10 A16 K17 | E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.85Å; Y10-E13 PolarHBondContact O-N 3.41Å; E13-A16 PolarHBondContact O-N 2.89Å; E13-K17 HydrophobicContact CG-CD 4.15Å; E13-K17 WeakPolarHBondContact O-CB 3.42Å; E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 VanDerWaalsContact OE1-CE 3.23Å; E13-K17 WeakPolarHBondContact OE1-CE 3.5Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.39Å |
| 14 | W | 96.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 93.1 Ų | 93.1 | 27% | 0.269 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175 | 178.4 | 33.5 | 0 | 0 | 0 | 111.9 | Y10 I11 V12 A16 K17 D18 F22 T25 | Y10-W14 WeakPolarHBondContact O-CB 3.42Å; Y10-W14 PolarHBondContact O-N 3.05Å; I11-W14 HydrophobicContact CD1-CE3 4.26Å; I11-W14 PolarHBondContact O-N 3.17Å; V12-W14 VanDerWaalsContact C-N 3.32Å; V12-W14 PolarHBondContact O-N 3.07Å; W14-A16 PolarHBondContact O-N 3.36Å; W14-K17 PolarHBondContact O-N 2.86Å; W14-D18 PolarHBondContact O-N 2.86Å; W14-F22 HydrophobicContact CD2-CB 4.44Å; W14-F22 AromaticContact CD2-CD2 3.76Å; W14-F22 HydrophobicContact CD2-CD2 3.76Å; W14-F22 AromaticContact CE3-CD2 3.36Å; W14-F22 HydrophobicContact CE3-CD2 3.36Å; W14-F22 AromaticContact CE3-CE2 3.83Å; W14-F22 HydrophobicContact CE3-CE2 3.83Å; W14-F22 HydrophobicContact CG-CD2 4.49Å; W14-F22 AromaticContact CH2-CD2 3.9Å; W14-F22 HydrophobicContact CH2-CD2 3.9Å; W14-F22 HydrophobicContact CZ2-CB 4.33Å; W14-F22 HydrophobicContact CZ2-CD2 4.29Å; W14-F22 AromaticContact CZ3-CD2 3.42Å; W14-F22 HydrophobicContact CZ3-CD2 3.42Å; W14-F22 VanDerWaalsContact CZ3-CD2 3.42Å; W14-F22 AromaticContact CZ3-CE2 3.79Å; W14-F22 HydrophobicContact CZ3-CE2 3.79Å; W14-T25 HydrophobicContact CH2-CG2 3.82Å; W14-T25 HydrophobicContact CZ2-CG2 4.42Å |
| 15 | A | 95.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 90.6 Ų | 90.6 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.2 | -31.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I11 V12 P19 F22 | I11-A15 WeakPolarHBondContact O-CB 3.43Å; I11-A15 PolarHBondContact O-N 3.06Å; V12-A15 PolarHBondContact O-N 3.44Å; A15-P19 WeakPolarHBondContact O-CA 3.48Å; A15-P19 WeakPolarHBondContact O-CG 3.4Å; A15-F22 HydrophobicContact CB-CB 4.46Å; A15-F22 HydrophobicContact CB-CD1 3.9Å; A15-F22 HydrophobicContact CB-CD2 4.08Å; A15-F22 HydrophobicContact CB-CE1 4.14Å; A15-F22 HydrophobicContact CB-CE2 4.34Å; A15-F22 HydrophobicContact CB-CG 3.87Å; A15-F22 HydrophobicContact CB-CZ 4.36Å |
| 16 | A | 95.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 85.1 Ų | 85.1 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -76.9 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | V12 E13 W14 | V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.48Å; E13-A16 PolarHBondContact O-N 2.89Å; W14-A16 PolarHBondContact O-N 3.36Å |
| 17 | K | 96.9 | Very high | 95.7 | Very high | 155 Ų | 155 | 87.3 Ų | 87.3 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -77.4 | -39.7 | -178.3 | -76.9 | 177 | 171.6 | 173.7 | 0 | 113.3 | E13 W14 | E13-K17 HydrophobicContact CG-CD 4.15Å; E13-K17 WeakPolarHBondContact O-CB 3.42Å; E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.32Å; E13-K17 VanDerWaalsContact OE1-CE 3.23Å; E13-K17 WeakPolarHBondContact OE1-CE 3.5Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.39Å; W14-K17 PolarHBondContact O-N 2.86Å |
| 18 | D | 96.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 85.1 Ų | 85.1 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | trans | -140.1 | 80.9 | 179.2 | -178.8 | 14.5 | 0 | 0 | 0 | 110.9 | W14 Y20 G21 F22 | W14-D18 PolarHBondContact O-N 2.86Å; D18-Y20 VanDerWaalsContact C-N 3.3Å; D18-Y20 PolarHBondContact O-N 3.17Å; D18-G21 PolarHBondContact OD1-N 2.94Å; D18-G21 VanDerWaalsContact OD2-CA 3.32Å; D18-G21 WeakPolarHBondContact OD2-CA 3.36Å; D18-F22 VanDerWaalsContact O-CB 3.25Å; D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 3.33Å | ||
| 19 | P | 94.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 86 Ų | 86 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | -176.9 | -21.3 | 30.8 | 0 | 0 | 0 | 112.8 | A15 L23 | A15-P19 WeakPolarHBondContact O-CA 3.48Å; A15-P19 WeakPolarHBondContact O-CG 3.4Å; P19-L23 WeakPolarHBondContact O-CB 3.42Å; P19-L23 VanDerWaalsContact O-CG 3.23Å; P19-L23 WeakPolarHBondContact O-CG 3.35Å; P19-L23 PolarHBondContact O-N 2.96Å |
| 20 | Y | 96 | Very high | 95.9 | Very high | 184 Ų | 184 | 83.2 Ų | 83.2 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -73.8 | -45.9 | -177.8 | -70.1 | -74.6 | 0 | 0 | 0 | 111.3 | D18 F22 L23 T24 | D18-Y20 VanDerWaalsContact C-N 3.3Å; D18-Y20 PolarHBondContact O-N 3.17Å; Y20-F22 VanDerWaalsContact C-N 3.32Å; Y20-F22 PolarHBondContact O-N 3.27Å; Y20-L23 PolarHBondContact O-N 3.04Å; Y20-T24 WeakPolarHBondContact O-CB 3.48Å; Y20-T24 PolarHBondContact O-N 3.46Å; Y20-T24 PolarHBondContact O-OG1 3.01Å |
| 21 | G | 95.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 79.3 Ų | 79.3 | 21% | 0.206 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D18 T25 | D18-G21 PolarHBondContact OD1-N 2.94Å; D18-G21 VanDerWaalsContact OD2-CA 3.32Å; D18-G21 WeakPolarHBondContact OD2-CA 3.36Å; G21-T25 WeakPolarHBondContact O-CB 3.31Å; G21-T25 PolarHBondContact O-N 3.27Å; G21-T25 PolarHBondContact O-OG1 3.44Å |
| 22 | F | 95.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 80.3 Ų | 80.3 | 18% | 0.184 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57 | -57.1 | 169.9 | 176.6 | -101.3 | 0 | 0 | 0 | 111.4 | I11 W14 A15 D18 Y20 T24 T25 V26 | I11-F22 HydrophobicContact CG2-CE2 3.87Å; I11-F22 HydrophobicContact CG2-CZ 4.22Å; W14-F22 HydrophobicContact CD2-CB 4.44Å; W14-F22 AromaticContact CD2-CD2 3.76Å; W14-F22 HydrophobicContact CD2-CD2 3.76Å; W14-F22 AromaticContact CE3-CD2 3.36Å; W14-F22 HydrophobicContact CE3-CD2 3.36Å; W14-F22 AromaticContact CE3-CE2 3.83Å; W14-F22 HydrophobicContact CE3-CE2 3.83Å; W14-F22 HydrophobicContact CG-CD2 4.49Å; W14-F22 AromaticContact CH2-CD2 3.9Å; W14-F22 HydrophobicContact CH2-CD2 3.9Å; W14-F22 HydrophobicContact CZ2-CB 4.33Å; W14-F22 HydrophobicContact CZ2-CD2 4.29Å; W14-F22 AromaticContact CZ3-CD2 3.42Å; W14-F22 HydrophobicContact CZ3-CD2 3.42Å; W14-F22 VanDerWaalsContact CZ3-CD2 3.42Å; W14-F22 AromaticContact CZ3-CE2 3.79Å; W14-F22 HydrophobicContact CZ3-CE2 3.79Å; A15-F22 HydrophobicContact CB-CB 4.46Å; A15-F22 HydrophobicContact CB-CD1 3.9Å; A15-F22 HydrophobicContact CB-CD2 4.08Å; A15-F22 HydrophobicContact CB-CE1 4.14Å; A15-F22 HydrophobicContact CB-CE2 4.34Å; A15-F22 HydrophobicContact CB-CG 3.87Å; A15-F22 HydrophobicContact CB-CZ 4.36Å; D18-F22 VanDerWaalsContact O-CB 3.25Å; D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 3.33Å; Y20-F22 VanDerWaalsContact C-N 3.32Å; Y20-F22 PolarHBondContact O-N 3.27Å; F22-T24 PolarHBondContact O-N 3.05Å; F22-T25 PolarHBondContact O-N 2.98Å; F22-V26 HydrophobicContact CD1-CG2 4.4Å; F22-V26 HydrophobicContact CD2-CG2 4.28Å; F22-V26 HydrophobicContact CE1-CG2 4.02Å; F22-V26 HydrophobicContact CE2-CG2 3.87Å; F22-V26 HydrophobicContact CZ-CG2 3.74Å; F22-V26 VanDerWaalsContact O-CG2 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 2.98Å |
| 23 | L | 96.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 80.7 Ų | 80.7 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | -178.1 | -74.8 | 173.2 | 0 | 0 | 0 | 112 | P19 Y20 T25 V26 I27 | P19-L23 WeakPolarHBondContact O-CB 3.42Å; P19-L23 VanDerWaalsContact O-CG 3.23Å; P19-L23 WeakPolarHBondContact O-CG 3.35Å; P19-L23 PolarHBondContact O-N 2.96Å; Y20-L23 PolarHBondContact O-N 3.04Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.15Å; L23-V26 PolarHBondContact O-N 3.36Å; L23-I27 WeakPolarHBondContact O-CB 3.49Å; L23-I27 WeakPolarHBondContact O-CD1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 2.88Å |
| 24 | T | 96.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 82.5 Ų | 82.5 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | Y20 F22 I27 L28 | Y20-T24 WeakPolarHBondContact O-CB 3.48Å; Y20-T24 PolarHBondContact O-N 3.46Å; Y20-T24 PolarHBondContact O-OG1 3.01Å; F22-T24 PolarHBondContact O-N 3.05Å; T24-I27 PolarHBondContact O-N 3.32Å; T24-L28 HydrophobicContact CG2-CD1 3.81Å; T24-L28 HydrophobicContact CG2-CG 4.23Å; T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 VanDerWaalsContact O-CG 3.23Å; T24-L28 WeakPolarHBondContact O-CG 3.37Å; T24-L28 PolarHBondContact O-N 3.06Å |
| 25 | T | 95.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | W14 G21 F22 L23 L28 A29 | W14-T25 HydrophobicContact CH2-CG2 3.82Å; W14-T25 HydrophobicContact CZ2-CG2 4.42Å; G21-T25 WeakPolarHBondContact O-CB 3.31Å; G21-T25 PolarHBondContact O-N 3.27Å; G21-T25 PolarHBondContact O-OG1 3.44Å; F22-T25 PolarHBondContact O-N 2.98Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.15Å; T25-L28 PolarHBondContact O-N 3.09Å; T25-A29 WeakPolarHBondContact O-CB 3.45Å; T25-A29 PolarHBondContact O-N 3.42Å |
| 26 | V | 96.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 87.8 Ų | 87.8 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | F22 L23 A29 L30 | F22-V26 HydrophobicContact CD1-CG2 4.4Å; F22-V26 HydrophobicContact CD2-CG2 4.28Å; F22-V26 HydrophobicContact CE1-CG2 4.02Å; F22-V26 HydrophobicContact CE2-CG2 3.87Å; F22-V26 HydrophobicContact CZ-CG2 3.74Å; F22-V26 VanDerWaalsContact O-CG2 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 2.98Å; L23-V26 PolarHBondContact O-N 3.36Å; V26-A29 PolarHBondContact O-N 3.44Å; V26-L30 HydrophobicContact CG1-CD1 3.59Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.29Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.38Å; V26-L30 PolarHBondContact O-N 3.38Å |
| 27 | I | 96.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 87.1 Ų | 87.1 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 179 | -68 | 167.2 | 0 | 0 | 0 | 110.4 | L23 T24 A29 L30 T31 | L23-I27 WeakPolarHBondContact O-CB 3.49Å; L23-I27 WeakPolarHBondContact O-CD1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.42Å; L23-I27 PolarHBondContact O-N 2.88Å; T24-I27 PolarHBondContact O-N 3.32Å; I27-A29 VanDerWaalsContact C-N 3.25Å; I27-A29 PolarHBondContact O-N 2.97Å; I27-L30 PolarHBondContact O-N 3.44Å; I27-T31 VanDerWaalsContact O-CB 3.3Å; I27-T31 WeakPolarHBondContact O-CB 3.47Å; I27-T31 PolarHBondContact O-N 3.32Å; I27-T31 PolarHBondContact O-OG1 2.94Å |
| 28 | L | 96.8 | Very high | 96.5 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.5 | -34.2 | 178.2 | -76.7 | 174.7 | 0 | 0 | 0 | 112.8 | T24 T25 P32 | T24-L28 HydrophobicContact CG2-CD1 3.81Å; T24-L28 HydrophobicContact CG2-CG 4.23Å; T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 VanDerWaalsContact O-CG 3.23Å; T24-L28 WeakPolarHBondContact O-CG 3.37Å; T24-L28 PolarHBondContact O-N 3.06Å; T25-L28 PolarHBondContact O-N 3.09Å; L28-P32 WeakPolarHBondContact O-CD 3.37Å; L28-P32 VanDerWaalsContact O-CG 3.32Å; L28-P32 WeakPolarHBondContact O-CG 3.41Å |
| 29 | A | 96.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 81.6 Ų | 81.6 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -75.2 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T25 V26 I27 P32 L33 | T25-A29 WeakPolarHBondContact O-CB 3.45Å; T25-A29 PolarHBondContact O-N 3.42Å; V26-A29 PolarHBondContact O-N 3.44Å; I27-A29 VanDerWaalsContact C-N 3.25Å; I27-A29 PolarHBondContact O-N 2.97Å; A29-P32 WeakPolarHBondContact O-CD 3.33Å; A29-P32 WeakPolarHBondContact O-CG 3.42Å; A29-L33 WeakPolarHBondContact O-CG 3.3Å |
| 30 | L | 96.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 83.6 Ų | 83.6 | 40% | 0.403 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.3 | -41.8 | -175.6 | -72.6 | -179.5 | 0 | 0 | 0 | 112.9 | V26 I27 L33 F34 | V26-L30 HydrophobicContact CG1-CD1 3.59Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.29Å; V26-L30 WeakPolarHBondContact O-CB 3.41Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.38Å; V26-L30 PolarHBondContact O-N 3.38Å; I27-L30 PolarHBondContact O-N 3.44Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.07Å; L30-L33 VanDerWaalsContact O-N 3.08Å; L30-F34 HydrophobicContact CB-CD2 4Å; L30-F34 HydrophobicContact CB-CE2 4.01Å; L30-F34 HydrophobicContact CD1-CE2 4.46Å; L30-F34 HydrophobicContact CD2-CE2 4.36Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 3.28Å; L30-F34 PolarHBondContact O-N 3.39Å |
| 31 | T | 97 | Very high | 96.6 | Very high | 65 Ų | 65 | 78 Ų | 78 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -51.9 | -51.8 | -177.3 | -64.9 | 0 | 0 | 0 | 0 | 113.7 | I27 L33 F34 I35 | I27-T31 VanDerWaalsContact O-CB 3.3Å; I27-T31 WeakPolarHBondContact O-CB 3.47Å; I27-T31 PolarHBondContact O-N 3.32Å; I27-T31 PolarHBondContact O-OG1 2.94Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.9Å; T31-F34 PolarHBondContact O-N 3.2Å; T31-I35 HydrophobicContact CG2-CD1 3.92Å; T31-I35 WeakPolarHBondContact O-CG1 3.47Å; T31-I35 PolarHBondContact O-N 2.99Å |
| 32 | P | 96.6 | Very high | 96.6 | Very high | 63 Ų | 63 | 85.3 Ų | 85.3 | 41% | 0.409 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177.7 | 24.7 | -33.4 | 0 | 0 | 0 | 112.3 | L28 A29 F34 I35 I36 | L28-P32 WeakPolarHBondContact O-CD 3.37Å; L28-P32 VanDerWaalsContact O-CG 3.32Å; L28-P32 WeakPolarHBondContact O-CG 3.41Å; A29-P32 WeakPolarHBondContact O-CD 3.33Å; A29-P32 WeakPolarHBondContact O-CG 3.42Å; P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 2.65Å; P32-I35 PolarHBondContact O-N 3.26Å; P32-I36 VanDerWaalsContact O-CG1 3.28Å; P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3Å |
| 33 | L | 96.8 | Very high | 96.6 | Very high | 109 Ų | 109 | 89.9 Ų | 89.9 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 175.8 | -64.1 | 176 | 0 | 0 | 0 | 111.4 | A29 L30 T31 I36 S37 | A29-L33 WeakPolarHBondContact O-CG 3.3Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.07Å; L30-L33 VanDerWaalsContact O-N 3.08Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.9Å; L33-I36 PolarHBondContact O-N 2.89Å; L33-S37 VanDerWaalsContact O-CB 3.31Å; L33-S37 WeakPolarHBondContact O-CB 3.32Å; L33-S37 PolarHBondContact O-N 3.33Å |
| 34 | F | 96.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 90.3 Ų | 90.3 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 175.3 | -85.1 | -70.9 | 0 | 0 | 0 | 112.3 | L30 T31 P32 S37 A38 | L30-F34 HydrophobicContact CB-CD2 4Å; L30-F34 HydrophobicContact CB-CE2 4.01Å; L30-F34 HydrophobicContact CD1-CE2 4.46Å; L30-F34 HydrophobicContact CD2-CE2 4.36Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 3.28Å; L30-F34 PolarHBondContact O-N 3.39Å; T31-F34 PolarHBondContact O-N 3.2Å; P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 2.65Å; F34-S37 PolarHBondContact O-N 3.45Å; F34-A38 VanDerWaalsContact O-CB 3.31Å; F34-A38 WeakPolarHBondContact O-CB 3.31Å; F34-A38 PolarHBondContact O-N 3.44Å |
| 35 | I | 97.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 89 Ų | 89 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -46.2 | 176.8 | -68.6 | 167.3 | 0 | 0 | 0 | 110.6 | T31 P32 A38 A39 | T31-I35 HydrophobicContact CG2-CD1 3.92Å; T31-I35 WeakPolarHBondContact O-CG1 3.47Å; T31-I35 PolarHBondContact O-N 2.99Å; P32-I35 PolarHBondContact O-N 3.26Å; I35-A38 PolarHBondContact O-N 3.29Å; I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.86Å |
| 36 | I | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 91.1 Ų | 91.1 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.7 | -66.9 | 164.8 | 0 | 0 | 0 | 110.1 | P32 L33 A38 A39 L40 | P32-I36 VanDerWaalsContact O-CG1 3.28Å; P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3Å; L33-I36 PolarHBondContact O-N 2.89Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.44Å; I36-A39 PolarHBondContact O-N 2.86Å; I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 2.95Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 2.93Å |
| 37 | S | 97.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 93.3 Ų | 93.3 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | L33 F34 L40 S41 | L33-S37 VanDerWaalsContact O-CB 3.31Å; L33-S37 WeakPolarHBondContact O-CB 3.32Å; L33-S37 PolarHBondContact O-N 3.33Å; F34-S37 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.32Å; S37-S41 VanDerWaalsContact O-CB 3.28Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.49Å; S37-S41 PolarHBondContact O-OG 3.38Å |
| 38 | A | 96.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 93 Ų | 93 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F34 I35 I36 L40 S41 W42 | F34-A38 VanDerWaalsContact O-CB 3.31Å; F34-A38 WeakPolarHBondContact O-CB 3.31Å; F34-A38 PolarHBondContact O-N 3.44Å; I35-A38 PolarHBondContact O-N 3.29Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.44Å; A38-L40 PolarHBondContact O-N 2.88Å; A38-S41 PolarHBondContact O-N 2.88Å; A38-W42 WeakPolarHBondContact O-CB 3.41Å; A38-W42 PolarHBondContact O-N 3.49Å |
| 39 | A | 97 | Very high | 95.9 | Very high | 56 Ų | 56 | 91.6 Ų | 91.6 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I35 I36 W42 K43 | I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.86Å; I36-A39 PolarHBondContact O-N 2.86Å; A39-W42 PolarHBondContact O-N 2.85Å; A39-K43 WeakPolarHBondContact O-CB 3.23Å; A39-K43 PolarHBondContact O-N 3.32Å |
| 40 | L | 96.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 91.3 Ų | 91.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 176.1 | -69.6 | 174.1 | 0 | 0 | 0 | 111.7 | I36 S37 A38 W42 K43 L44 | I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 2.95Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 2.93Å; S37-L40 PolarHBondContact O-N 3.32Å; A38-L40 PolarHBondContact O-N 2.88Å; L40-W42 VanDerWaalsContact C-N 3.31Å; L40-W42 PolarHBondContact O-N 3.26Å; L40-K43 PolarHBondContact O-N 2.98Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 PolarHBondContact O-N 3.41Å |
| 41 | S | 96.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 96.4 Ų | 96.4 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.3 | -60 | 0 | 0 | 0 | 0 | 111.3 | S37 A38 L44 A45 | S37-S41 VanDerWaalsContact O-CB 3.28Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.49Å; S37-S41 PolarHBondContact O-OG 3.38Å; A38-S41 PolarHBondContact O-N 2.88Å; S41-L44 PolarHBondContact O-N 2.83Å; S41-A45 WeakPolarHBondContact O-CB 3.4Å; S41-A45 PolarHBondContact O-N 2.91Å |
| 42 | W | 96.3 | Very high | 95.1 | Very high | 173 Ų | 173 | 97.6 Ų | 97.6 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | 175.9 | -171.6 | 19.3 | 0 | 0 | 0 | 112.3 | A38 A39 L40 L44 A45 K46 | A38-W42 WeakPolarHBondContact O-CB 3.41Å; A38-W42 PolarHBondContact O-N 3.49Å; A39-W42 PolarHBondContact O-N 2.85Å; L40-W42 VanDerWaalsContact C-N 3.31Å; L40-W42 PolarHBondContact O-N 3.26Å; W42-L44 VanDerWaalsContact C-N 3.3Å; W42-L44 PolarHBondContact O-N 3.08Å; W42-A45 PolarHBondContact O-N 3.41Å; W42-K46 PolarHBondContact O-N 3.34Å |
| 43 | K | 95.6 | Very high | 94.8 | Very high | 138 Ų | 138 | 101.8 Ų | 101.8 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 174.4 | -174.3 | -179.4 | 177.7 | -172.9 | 0 | 111.1 | A39 L40 K46 M47 | A39-K43 WeakPolarHBondContact O-CB 3.23Å; A39-K43 PolarHBondContact O-N 3.32Å; L40-K43 PolarHBondContact O-N 2.98Å; K43-K46 PolarHBondContact O-N 3.47Å; K43-M47 WeakPolarHBondContact O-CG 3.29Å; K43-M47 PolarHBondContact O-N 2.92Å; K43-M47 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 94.7 | Very high | 94.4 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.6 | -173.1 | 65.4 | 0 | 0 | 0 | 111.5 | L40 S41 W42 K46 M47 I48 | L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 PolarHBondContact O-N 3.41Å; S41-L44 PolarHBondContact O-N 2.83Å; W42-L44 VanDerWaalsContact C-N 3.3Å; W42-L44 PolarHBondContact O-N 3.08Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.73Å; L44-M47 HydrophobicContact CD1-CE 3.92Å; L44-M47 PolarHBondContact O-N 2.96Å; L44-M47 VanDerWaalsContact O-N 3.09Å; L44-I48 HydrophobicContact CG-CD1 4.2Å; L44-I48 WeakPolarHBondContact O-CG1 3.23Å; L44-I48 PolarHBondContact O-N 3.17Å |
| 45 | A | 95.4 | Very high | 94 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S41 W42 M47 I48 E49 | S41-A45 WeakPolarHBondContact O-CB 3.4Å; S41-A45 PolarHBondContact O-N 2.91Å; W42-A45 PolarHBondContact O-N 3.41Å; A45-M47 VanDerWaalsContact C-N 3.34Å; A45-M47 PolarHBondContact O-N 3.42Å; A45-I48 PolarHBondContact O-N 2.87Å; A45-E49 PolarHBondContact O-N 3.28Å |
| 46 | K | 94.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.4 | -77.5 | -170.3 | 179.4 | 178.4 | 0 | 112.9 | W42 K43 L44 I48 E49 A50 | W42-K46 PolarHBondContact O-N 3.34Å; K43-K46 PolarHBondContact O-N 3.47Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.73Å; K46-I48 VanDerWaalsContact C-N 3.35Å; K46-E49 PolarHBondContact O-N 3.34Å; K46-A50 WeakPolarHBondContact O-CB 3.17Å; K46-A50 PolarHBondContact O-N 2.84Å |
| 47 | M | 93.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 104.3 Ų | 104.3 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 177.3 | -71 | -171.1 | -63.4 | 0 | 0 | 112 | K43 L44 A45 R51 | K43-M47 WeakPolarHBondContact O-CG 3.29Å; K43-M47 PolarHBondContact O-N 2.92Å; K43-M47 VanDerWaalsContact O-N 3.15Å; L44-M47 HydrophobicContact CD1-CE 3.92Å; L44-M47 PolarHBondContact O-N 2.96Å; L44-M47 VanDerWaalsContact O-N 3.09Å; A45-M47 VanDerWaalsContact C-N 3.34Å; A45-M47 PolarHBondContact O-N 3.42Å; M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 2.99Å; M47-R51 VanDerWaalsContact O-N 3.07Å |
| 48 | I | 93 | Very high | 92.6 | Very high | 88 Ų | 88 | 107.6 Ų | 107.6 | 45% | 0.451 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 174.7 | -66.1 | 167.9 | 0 | 0 | 0 | 109.8 | L44 A45 K46 A50 R51 E52 | L44-I48 HydrophobicContact CG-CD1 4.2Å; L44-I48 WeakPolarHBondContact O-CG1 3.23Å; L44-I48 PolarHBondContact O-N 3.17Å; A45-I48 PolarHBondContact O-N 2.87Å; K46-I48 VanDerWaalsContact C-N 3.35Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 2.8Å; I48-R51 PolarHBondContact O-N 3.37Å; I48-E52 PolarHBondContact O-N 2.94Å |
| 49 | E | 92.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 110.1 Ų | 110.1 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 179.4 | -170.2 | -177 | -177.8 | 0 | 0 | 112.3 | A45 K46 E52 R53 | A45-E49 PolarHBondContact O-N 3.28Å; K46-E49 PolarHBondContact O-N 3.34Å; E49-E52 PolarHBondContact O-N 3.45Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.26Å; E49-R53 IonicContact OE1-CZ 3.3Å; E49-R53 VanDerWaalsContact OE1-CZ 3.3Å; E49-R53 IonicContact OE1-NE 3.32Å; E49-R53 PolarHBondContact OE1-NE 3.01Å; E49-R53 IonicContact OE1-NH2 3.91Å; E49-R53 PolarHBondContact OE1-NH2 3.41Å |
| 50 | A | 92.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 114 Ų | 114 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | K46 I48 E52 R53 E54 | K46-A50 WeakPolarHBondContact O-CB 3.17Å; K46-A50 PolarHBondContact O-N 2.84Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 2.8Å; A50-E52 PolarHBondContact O-N 2.73Å; A50-R53 PolarHBondContact O-N 2.95Å; A50-E54 PolarHBondContact O-N 3.43Å; A50-E54 VanDerWaalsContact O-N 3.07Å |
| 51 | R | 90.3 | Very high | 91.1 | Very high | 183 Ų | 183 | 117.8 Ų | 117.8 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 176.8 | -78.2 | -177.7 | 179.3 | -115.9 | 1.3 | 112.1 | M47 I48 E54 Q55 | M47-R51 WeakPolarHBondContact O-CG 3.29Å; M47-R51 PolarHBondContact O-N 2.99Å; M47-R51 VanDerWaalsContact O-N 3.07Å; I48-R51 PolarHBondContact O-N 3.37Å; R51-E54 PolarHBondContact O-N 2.85Å; R51-Q55 WeakPolarHBondContact O-CG 3.34Å; R51-Q55 PolarHBondContact O-N 3.03Å |
| 52 | E | 90.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 121 Ų | 121 | 43% | 0.425 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -43 | 177.1 | -77.6 | -167.4 | -176.3 | 0 | 0 | 112.3 | I48 E49 A50 E54 Q55 K56 | I48-E52 PolarHBondContact O-N 2.94Å; E49-E52 PolarHBondContact O-N 3.45Å; A50-E52 PolarHBondContact O-N 2.73Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 2.85Å; E52-Q55 PolarHBondContact O-N 3.36Å; E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 WeakPolarHBondContact O-CG 3.23Å; E52-K56 PolarHBondContact O-N 2.95Å; E52-K56 IonicContact OE2-NZ 2.59Å |
| 53 | R | 90.1 | Very high | 90.1 | Very high | 151 Ų | 151 | 117.8 Ų | 117.8 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 177.7 | -73.9 | 175.2 | -178.2 | -158.4 | 1.3 | 111.4 | E49 A50 K57 | E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.26Å; E49-R53 IonicContact OE1-CZ 3.3Å; E49-R53 VanDerWaalsContact OE1-CZ 3.3Å; E49-R53 IonicContact OE1-NE 3.32Å; E49-R53 PolarHBondContact OE1-NE 3.01Å; E49-R53 IonicContact OE1-NH2 3.91Å; E49-R53 PolarHBondContact OE1-NH2 3.41Å; A50-R53 PolarHBondContact O-N 2.95Å; R53-K57 WeakPolarHBondContact O-CG 3.31Å; R53-K57 PolarHBondContact O-N 3.36Å |
| 54 | E | 88.6 | Confident | 89.7 | Confident | 116 Ų | 116 | 116 Ų | 116 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176 | -73.7 | -172.7 | 179.6 | 0 | 0 | 112.6 | A50 R51 E52 K57 K58 | A50-E54 PolarHBondContact O-N 3.43Å; A50-E54 VanDerWaalsContact O-N 3.07Å; R51-E54 PolarHBondContact O-N 2.85Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 2.85Å; E54-K57 PolarHBondContact O-N 3Å; E54-K58 WeakPolarHBondContact O-CG 3.25Å; E54-K58 PolarHBondContact O-N 3.28Å |
| 55 | Q | 87.8 | Confident | 89.3 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 176.3 | -76.2 | -177.4 | -12.7 | 0 | 0 | 111.6 | R51 E52 K57 K58 Q59 | R51-Q55 WeakPolarHBondContact O-CG 3.34Å; R51-Q55 PolarHBondContact O-N 3.03Å; E52-Q55 PolarHBondContact O-N 3.36Å; Q55-K57 VanDerWaalsContact C-N 3.32Å; Q55-K57 PolarHBondContact O-N 2.95Å; Q55-K58 PolarHBondContact O-N 3.44Å; Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 WeakPolarHBondContact O-CG 3.48Å; Q55-Q59 PolarHBondContact O-N 3.16Å |
| 56 | K | 89.3 | Confident | 88.9 | Confident | 119 Ų | 119 | 115 Ų | 115 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 175.1 | -76.1 | 176.3 | -178.1 | 171.2 | 0 | 111.9 | E52 K60 | E52-K56 WeakPolarHBondContact O-CB 3.33Å; E52-K56 WeakPolarHBondContact O-CG 3.23Å; E52-K56 PolarHBondContact O-N 2.95Å; E52-K56 IonicContact OE2-NZ 2.59Å; K56-K60 WeakPolarHBondContact O-CB 3.44Å; K56-K60 WeakPolarHBondContact O-CG 3.33Å; K56-K60 PolarHBondContact O-N 3.42Å |
| 57 | K | 88.2 | Confident | 88.4 | Confident | 159 Ų | 159 | 115.7 Ų | 115.7 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 175.1 | -75.2 | 177.3 | -178.5 | -176.9 | 0 | 112 | R53 E54 Q55 R61 | R53-K57 WeakPolarHBondContact O-CG 3.31Å; R53-K57 PolarHBondContact O-N 3.36Å; E54-K57 PolarHBondContact O-N 3Å; Q55-K57 VanDerWaalsContact C-N 3.32Å; Q55-K57 PolarHBondContact O-N 2.95Å; K57-R61 PolarHBondContact O-N 2.94Å; K57-R61 VanDerWaalsContact O-N 3.07Å |
| 58 | K | 85.8 | Confident | 87.9 | Confident | 131 Ų | 131 | 113.6 Ų | 113.6 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -43.9 | 177.8 | -71.2 | 178.9 | -174.3 | 178.7 | 0 | 111.6 | E54 Q55 R61 Q62 | E54-K58 WeakPolarHBondContact O-CG 3.25Å; E54-K58 PolarHBondContact O-N 3.28Å; Q55-K58 PolarHBondContact O-N 3.44Å; K58-R61 PolarHBondContact O-N 3.47Å; K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 3.07Å |
| 59 | Q | 86.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 116.7 Ų | 116.7 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 175.3 | -76.5 | 175.9 | -3 | 0 | 0 | 111.6 | Q55 R61 Q62 E63 | Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 WeakPolarHBondContact O-CG 3.48Å; Q55-Q59 PolarHBondContact O-N 3.16Å; Q59-R61 VanDerWaalsContact C-N 3.27Å; Q59-R61 PolarHBondContact O-N 3.28Å; Q59-Q62 PolarHBondContact O-N 2.97Å; Q59-E63 WeakPolarHBondContact O-CG 3.23Å; Q59-E63 PolarHBondContact O-N 3.26Å |
| 60 | K | 86.8 | Confident | 86.5 | Confident | 137 Ų | 137 | 121.5 Ų | 121.5 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.8 | -39.4 | 177.1 | -74.9 | -177 | 179 | -170.6 | 0 | 112.7 | K56 N64 | K56-K60 WeakPolarHBondContact O-CB 3.44Å; K56-K60 WeakPolarHBondContact O-CG 3.33Å; K56-K60 PolarHBondContact O-N 3.42Å; K60-N64 WeakPolarHBondContact O-CB 3.46Å; K60-N64 VanDerWaalsContact O-CG 3.24Å; K60-N64 PolarHBondContact O-N 3.47Å; K60-N64 PolarHBondContact O-ND2 2.96Å |
| 61 | R | 83.8 | Confident | 85.4 | Confident | 188 Ų | 188 | 124 Ų | 124 | 71% | 0.709 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -42.8 | 176.5 | -169.4 | 177.8 | -179.1 | -166.2 | 0.5 | 111.7 | K57 K58 Q59 N64 I65 | K57-R61 PolarHBondContact O-N 2.94Å; K57-R61 VanDerWaalsContact O-N 3.07Å; K58-R61 PolarHBondContact O-N 3.47Å; Q59-R61 VanDerWaalsContact C-N 3.27Å; Q59-R61 PolarHBondContact O-N 3.28Å; R61-N64 PolarHBondContact O-N 2.93Å; R61-I65 HydrophobicContact CG-CD1 4.12Å; R61-I65 WeakPolarHBondContact O-CD1 3.37Å; R61-I65 VanDerWaalsContact O-CG1 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.48Å; R61-I65 PolarHBondContact O-N 3.24Å; R61-I65 VanDerWaalsContact O-N 3.09Å |
| 62 | Q | 86.2 | Confident | 84.3 | Confident | 136 Ų | 136 | 124.1 Ų | 124.1 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -41.7 | 177.6 | -70.7 | -178.6 | 12.4 | 0 | 0 | 112.1 | K58 Q59 N64 I65 A66 | K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 3.07Å; Q59-Q62 PolarHBondContact O-N 2.97Å; Q62-N64 VanDerWaalsContact C-N 3.34Å; Q62-N64 PolarHBondContact O-N 3.42Å; Q62-I65 PolarHBondContact O-N 2.97Å; Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.98Å |
| 63 | E | 86.6 | Confident | 82.8 | Confident | 104 Ų | 104 | 128.9 Ų | 128.9 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -44.1 | 175.2 | -73.5 | 176.1 | -178.7 | 0 | 0 | 111.8 | Q59 A66 K67 | Q59-E63 WeakPolarHBondContact O-CG 3.23Å; Q59-E63 PolarHBondContact O-N 3.26Å; E63-A66 PolarHBondContact O-N 3.32Å; E63-K67 WeakPolarHBondContact O-CB 3.41Å; E63-K67 VanDerWaalsContact O-CG 3.31Å; E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 3.26Å |
| 64 | N | 86.4 | Confident | 80.9 | Confident | 102 Ų | 102 | 131.3 Ų | 131.3 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.5 | -39.9 | 177.8 | -71.5 | -11.6 | 0 | 0 | 0 | 112.2 | K60 R61 Q62 K67 A68 | K60-N64 WeakPolarHBondContact O-CB 3.46Å; K60-N64 VanDerWaalsContact O-CG 3.24Å; K60-N64 PolarHBondContact O-N 3.47Å; K60-N64 PolarHBondContact O-ND2 2.96Å; R61-N64 PolarHBondContact O-N 2.93Å; Q62-N64 VanDerWaalsContact C-N 3.34Å; Q62-N64 PolarHBondContact O-N 3.42Å; N64-K67 PolarHBondContact O-N 3.09Å; N64-A68 WeakPolarHBondContact O-CB 3.43Å; N64-A68 PolarHBondContact O-N 3.12Å |
| 65 | I | 86.3 | Confident | 80.5 | Confident | 83 Ų | 83 | 132.1 Ų | 132.1 | 43% | 0.426 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 174.6 | -67.5 | 165.3 | 0 | 0 | 0 | 110.7 | R61 Q62 A68 K69 | R61-I65 HydrophobicContact CG-CD1 4.12Å; R61-I65 WeakPolarHBondContact O-CD1 3.37Å; R61-I65 VanDerWaalsContact O-CG1 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.48Å; R61-I65 PolarHBondContact O-N 3.24Å; R61-I65 VanDerWaalsContact O-N 3.09Å; Q62-I65 PolarHBondContact O-N 2.97Å; I65-A68 PolarHBondContact O-N 3.29Å; I65-K69 HydrophobicContact CG2-CD 4.31Å; I65-K69 HydrophobicContact CG2-CG 4.5Å; I65-K69 WeakPolarHBondContact O-CB 3.31Å; I65-K69 WeakPolarHBondContact O-CG 3.43Å; I65-K69 PolarHBondContact O-N 3.3Å |
| 66 | A | 86.9 | Confident | 80.1 | Confident | 45 Ų | 45 | 132.8 Ų | 132.8 | 37% | 0.372 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.5 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q62 E63 K69 R70 | Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.98Å; E63-A66 PolarHBondContact O-N 3.32Å; A66-K69 PolarHBondContact O-N 3.38Å; A66-R70 WeakPolarHBondContact O-CG 3.23Å; A66-R70 PolarHBondContact O-N 3.1Å; A66-R70 VanDerWaalsContact O-N 3.07Å |
| 67 | K | 85.3 | Confident | 79.6 | Confident | 130 Ų | 130 | 133.6 Ų | 133.6 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.4 | -51.9 | 173.8 | -74.5 | 178.4 | -177.6 | -177.8 | 0 | 111 | E63 N64 K69 R70 T71 | E63-K67 WeakPolarHBondContact O-CB 3.41Å; E63-K67 VanDerWaalsContact O-CG 3.31Å; E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 3.26Å; N64-K67 PolarHBondContact O-N 3.09Å; K67-K69 VanDerWaalsContact C-N 3.29Å; K67-K69 PolarHBondContact O-N 3.09Å; K67-R70 WeakPolarHBondContact O-CB 3.48Å; K67-R70 PolarHBondContact O-N 3.49Å; K67-T71 PolarHBondContact O-N 3.31Å; K67-T71 PolarHBondContact O-OG1 2.91Å |
| 68 | A | 81.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 132.1 Ų | 132.1 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.1 | -34.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | N64 I65 K72 | N64-A68 WeakPolarHBondContact O-CB 3.43Å; N64-A68 PolarHBondContact O-N 3.12Å; I65-A68 PolarHBondContact O-N 3.29Å; A68-K72 WeakPolarHBondContact O-CG 3.33Å; A68-K72 PolarHBondContact O-N 3.13Å |
| 69 | K | 80.8 | Confident | 78.6 | Confident | 153 Ų | 153 | 132.1 Ų | 132.1 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -32.9 | 173.6 | -77.8 | -174.5 | 178.6 | -168.1 | 0 | 113 | I65 A66 K67 | I65-K69 HydrophobicContact CG2-CD 4.31Å; I65-K69 HydrophobicContact CG2-CG 4.5Å; I65-K69 WeakPolarHBondContact O-CB 3.31Å; I65-K69 WeakPolarHBondContact O-CG 3.43Å; I65-K69 PolarHBondContact O-N 3.3Å; A66-K69 PolarHBondContact O-N 3.38Å; K67-K69 VanDerWaalsContact C-N 3.29Å; K67-K69 PolarHBondContact O-N 3.09Å |
| 70 | R | 75.9 | Confident | 78.1 | Confident | 192 Ų | 192 | 133.5 Ų | 133.5 | 73% | 0.725 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -45.1 | 175 | -74.1 | 177.4 | -178.7 | 176.6 | 0.3 | 111.2 | A66 K67 K72 K73 | A66-R70 WeakPolarHBondContact O-CG 3.23Å; A66-R70 PolarHBondContact O-N 3.1Å; A66-R70 VanDerWaalsContact O-N 3.07Å; K67-R70 WeakPolarHBondContact O-CB 3.48Å; K67-R70 PolarHBondContact O-N 3.49Å; R70-K72 PolarHBondContact O-N 2.59Å; R70-K73 PolarHBondContact O-N 2.84Å |
| 71 | T | 70.4 | Confident | 77.5 | Confident | 104 Ų | 104 | 133.3 Ų | 133.3 | 64% | 0.638 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.2 | -15.6 | -179.5 | -28.7 | 0 | 0 | 0 | 0 | 114.3 | K67 | K67-T71 PolarHBondContact O-N 3.31Å; K67-T71 PolarHBondContact O-OG1 2.91Å |
| 72 | K | 66.3 | Low | 77 | Confident | 185 Ų | 185 | 129.1 Ų | 129.1 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -4 | 174.4 | -71.3 | -170 | -179.2 | -162.3 | 0 | 113.8 | A68 R70 | A68-K72 WeakPolarHBondContact O-CG 3.33Å; A68-K72 PolarHBondContact O-N 3.13Å; R70-K72 PolarHBondContact O-N 2.59Å |
| 73 | K | 59.3 | Low | 76.3 | Confident | 190 Ų | 190 | 128.5 Ų | 128.5 | 83% | 0.826 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -12.6 | -177.6 | -153.6 | -175.7 | 178.2 | -171.5 | 0 | 112.5 | R70 | R70-K73 PolarHBondContact O-N 2.84Š|
| 74 | D | 49.3 | Very low | 75.3 | Confident | 202 Ų | 202 | 130.7 Ų | 130.7 | 100% | 1.08 | 64% | 0.643 | S | S | * | * | trans | -88.6 | 0 | 162.6 | -62.7 | -42.8 | 0 | 0 | 0 | 109.4 |
Retrieved 74 of 74 residues in 15.2 ms
(Link to these results)