| 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 | 52.4 | Low | 50.2 | Low | 184 Ų | 184 | 113.9 Ų | 113.9 | 91% | 0.906 | 61% | 0.607 | S | S | * | * | 0 | -64.8 | 0 | -64.3 | -63.2 | -116.1 | 0 | 0 | 113.1 | E4 | M1-E4 PolarHBondContact N-OE2 3.31Š| |||
| 2 | A | 52.7 | Low | 50.5 | Low | 76 Ų | 76 | 115.2 Ų | 115.2 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -84.6 | -35.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q6 | A2-Q6 PolarHBondContact O-N 2.94Å |
| 3 | E | 48.7 | Very low | 50.5 | Low | 160 Ų | 160 | 116 Ų | 116 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.9 | -37.4 | 178.9 | -71.2 | 172.3 | 161.5 | 0 | 0 | 112.4 | Q5 Q6 E7 | E3-Q5 VanDerWaalsContact C-N 3.29Å; E3-Q5 PolarHBondContact O-N 3.28Å; E3-Q6 PolarHBondContact O-N 3.11Å; E3-Q6 VanDerWaalsContact O-N 3.14Å; E3-E7 PolarHBondContact O-N 3.18Å; E3-E7 VanDerWaalsContact O-N 3.17Å |
| 4 | E | 47.1 | Very low | 50.8 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65 | -28.2 | 175.4 | -72.2 | 161.8 | 137.8 | 0 | 0 | 113.4 | M1 S8 | M1-E4 PolarHBondContact N-OE2 3.31Å; E4-S8 PolarHBondContact O-N 3.45Å |
| 5 | Q | 48.2 | Very low | 51.3 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.6 | -23.8 | 175.8 | -75.1 | -179.4 | -19.2 | 0 | 0 | 112.5 | E3 S9 | E3-Q5 VanDerWaalsContact C-N 3.29Å; E3-Q5 PolarHBondContact O-N 3.28Å; Q5-S9 WeakPolarHBondContact O-CB 3.43Å; Q5-S9 PolarHBondContact O-N 3.5Å; Q5-S9 PolarHBondContact O-OG 3.44Å |
| 6 | Q | 47.3 | Very low | 51.9 | Low | 132 Ų | 132 | 112 Ų | 112 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.1 | -37.3 | 176.5 | -105.8 | 176.7 | -31 | 0 | 0 | 112 | A2 E3 S9 Q10 | A2-Q6 PolarHBondContact O-N 2.94Å; E3-Q6 PolarHBondContact O-N 3.11Å; E3-Q6 VanDerWaalsContact O-N 3.14Å; Q6-S9 WeakPolarHBondContact CA-OG 3.3Å; Q6-S9 PolarHBondContact O-OG 2.84Å; Q6-S9 VanDerWaalsContact O-OG 3.12Å; Q6-Q10 PolarHBondContact O-N 3.14Å; Q6-Q10 VanDerWaalsContact O-N 3.1Å |
| 7 | E | 50.2 | Low | 52.7 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.7 | -38.1 | 174.1 | -75.4 | -176.9 | 157.7 | 0 | 0 | 112.2 | E3 Q10 G11 | E3-E7 PolarHBondContact O-N 3.18Å; E3-E7 VanDerWaalsContact O-N 3.17Å; E7-Q10 PolarHBondContact O-N 3.43Å; E7-G11 PolarHBondContact O-N 3.15Å |
| 8 | S | 51.3 | Low | 53.6 | Low | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.8 | -39.1 | 176.3 | 105.5 | 0 | 0 | 0 | 0 | 112.2 | E4 E12 | E4-S8 PolarHBondContact O-N 3.45Å; S8-E12 WeakPolarHBondContact O-CB 3.24Å; S8-E12 VanDerWaalsContact O-CG 3.25Å; S8-E12 WeakPolarHBondContact O-CG 3.44Å; S8-E12 PolarHBondContact O-N 3.09Å |
| 9 | S | 52.5 | Low | 54.6 | Low | 48 Ų | 48 | 108.2 Ų | 108.2 | 34% | 0.336 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.2 | -29 | 178.4 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | Q5 Q6 M13 | Q5-S9 WeakPolarHBondContact O-CB 3.43Å; Q5-S9 PolarHBondContact O-N 3.5Å; Q5-S9 PolarHBondContact O-OG 3.44Å; Q6-S9 WeakPolarHBondContact CA-OG 3.3Å; Q6-S9 PolarHBondContact O-OG 2.84Å; Q6-S9 VanDerWaalsContact O-OG 3.12Å; S9-M13 WeakPolarHBondContact O-CB 3.41Å; S9-M13 PolarHBondContact O-N 3.08Å; S9-M13 VanDerWaalsContact O-N 3.09Å |
| 10 | Q | 49.8 | Very low | 55.9 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.2 | -44.2 | 171 | -81.7 | -177 | -26.3 | 0 | 0 | 112.5 | Q6 E7 E12 M13 E14 | Q6-Q10 PolarHBondContact O-N 3.14Å; Q6-Q10 VanDerWaalsContact O-N 3.1Å; E7-Q10 PolarHBondContact O-N 3.43Å; Q10-E12 VanDerWaalsContact C-N 3.33Å; Q10-E12 PolarHBondContact O-N 3.46Å; Q10-M13 PolarHBondContact O-N 3.01Å; Q10-E14 PolarHBondContact O-N 3.45Å |
| 11 | G | 52.3 | Low | 57.3 | Low | 44 Ų | 44 | 107 Ų | 107 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -35.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E7 G15 | E7-G11 PolarHBondContact O-N 3.15Å; G11-G15 PolarHBondContact O-N 3.32Å |
| 12 | E | 52.8 | Low | 58.9 | Low | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 172.4 | -76.2 | 173.2 | 179.9 | 0 | 0 | 112.1 | S8 Q10 G15 V16 | S8-E12 WeakPolarHBondContact O-CB 3.24Å; S8-E12 VanDerWaalsContact O-CG 3.25Å; S8-E12 WeakPolarHBondContact O-CG 3.44Å; S8-E12 PolarHBondContact O-N 3.09Å; Q10-E12 VanDerWaalsContact C-N 3.33Å; Q10-E12 PolarHBondContact O-N 3.46Å; E12-G15 PolarHBondContact O-N 3.46Å; E12-V16 WeakPolarHBondContact O-CB 3.35Å; E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 3.32Å |
| 13 | M | 51.3 | Low | 60.7 | Low | 126 Ų | 126 | 105.1 Ų | 105.1 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.5 | -41.4 | 177 | -132.2 | 179.9 | -46.9 | 0 | 0 | 112.6 | S9 Q10 N17 | S9-M13 WeakPolarHBondContact O-CB 3.41Å; S9-M13 PolarHBondContact O-N 3.08Å; S9-M13 VanDerWaalsContact O-N 3.09Å; Q10-M13 PolarHBondContact O-N 3.01Å; M13-N17 WeakPolarHBondContact O-CB 3.42Å; M13-N17 PolarHBondContact O-N 3.14Å |
| 14 | E | 54.1 | Low | 62.7 | Low | 147 Ų | 147 | 100 Ų | 100 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 175.5 | -74.1 | -175.6 | 167.5 | 0 | 0 | 111.7 | Q10 N17 C18 | Q10-E14 PolarHBondContact O-N 3.45Å; E14-N17 PolarHBondContact O-N 2.74Å; E14-C18 WeakPolarHBondContact O-CB 3.42Å; E14-C18 PolarHBondContact O-N 3.48Å |
| 15 | G | 58.8 | Low | 64.7 | Low | 35 Ų | 35 | 97.6 Ų | 97.6 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | G11 E12 C18 L19 | G11-G15 PolarHBondContact O-N 3.32Å; E12-G15 PolarHBondContact O-N 3.46Å; G15-C18 PolarHBondContact O-N 3.49Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.39Å; G15-L19 VanDerWaalsContact O-N 3.12Å |
| 16 | V | 60.3 | Low | 66.6 | Low | 102 Ų | 102 | 95 Ų | 95 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | E12 A20 | E12-V16 WeakPolarHBondContact O-CB 3.35Å; E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 3.32Å; V16-A20 WeakPolarHBondContact O-CB 3.39Å; V16-A20 PolarHBondContact O-N 3.19Å; V16-A20 VanDerWaalsContact O-N 3.13Å |
| 17 | N | 66.4 | Low | 68.7 | Low | 82 Ų | 82 | 90.4 Ų | 90.4 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176 | -159.8 | 21.5 | 0 | 0 | 0 | 111.3 | M13 E14 A20 Y21 | M13-N17 WeakPolarHBondContact O-CB 3.42Å; M13-N17 PolarHBondContact O-N 3.14Å; E14-N17 PolarHBondContact O-N 2.74Å; N17-A20 PolarHBondContact O-N 3.04Å; N17-Y21 HydrophobicContact CB-CE2 4.49Å; N17-Y21 VanDerWaalsContact CG-CE2 3.47Å; N17-Y21 WeakPolarHBondContact O-CD2 3.36Å; N17-Y21 PolarHBondContact O-N 3.2Å; N17-Y21 WeakPolarHBondContact OD1-CE2 3.49Å |
| 18 | C | 68.6 | Low | 70.7 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 175.8 | -164.5 | 0 | 0 | 0 | 0 | 112.2 | E14 G15 A20 Y21 D22 | E14-C18 WeakPolarHBondContact O-CB 3.42Å; E14-C18 PolarHBondContact O-N 3.48Å; G15-C18 PolarHBondContact O-N 3.49Å; C18-A20 VanDerWaalsContact C-N 3.33Å; C18-A20 PolarHBondContact O-N 3.25Å; C18-Y21 PolarHBondContact O-N 3.11Å; C18-Y21 VanDerWaalsContact O-N 3.17Å; C18-D22 PolarHBondContact O-N 3.48Å |
| 19 | L | 72.1 | Confident | 72.4 | Confident | 111 Ų | 111 | 90.6 Ų | 90.6 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 177.5 | -68.3 | 170.9 | 0 | 0 | 0 | 112.6 | G15 Y21 D22 E23 | G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.39Å; G15-L19 VanDerWaalsContact O-N 3.12Å; L19-Y21 VanDerWaalsContact C-N 3.33Å; L19-Y21 PolarHBondContact O-N 3.41Å; L19-D22 PolarHBondContact O-N 3.06Å; L19-E23 WeakPolarHBondContact O-CG 3.45Å; L19-E23 PolarHBondContact O-N 3.43Å |
| 20 | A | 81.5 | Confident | 74.2 | Confident | 50 Ų | 50 | 91.9 Ų | 91.9 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V16 N17 C18 A24 | V16-A20 WeakPolarHBondContact O-CB 3.39Å; V16-A20 PolarHBondContact O-N 3.19Å; V16-A20 VanDerWaalsContact O-N 3.13Å; N17-A20 PolarHBondContact O-N 3.04Å; C18-A20 VanDerWaalsContact C-N 3.33Å; C18-A20 PolarHBondContact O-N 3.25Å; A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.07Å; A20-A24 VanDerWaalsContact O-N 3.11Å |
| 21 | Y | 85.6 | Confident | 76.2 | Confident | 141 Ų | 141 | 92.3 Ų | 92.3 | 55% | 0.553 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 172.6 | -74.7 | -63.3 | 0 | 0 | 0 | 111.8 | N17 C18 L19 E23 A24 I25 | N17-Y21 HydrophobicContact CB-CE2 4.49Å; N17-Y21 VanDerWaalsContact CG-CE2 3.47Å; N17-Y21 WeakPolarHBondContact O-CD2 3.36Å; N17-Y21 PolarHBondContact O-N 3.2Å; N17-Y21 WeakPolarHBondContact OD1-CE2 3.49Å; C18-Y21 PolarHBondContact O-N 3.11Å; C18-Y21 VanDerWaalsContact O-N 3.17Å; L19-Y21 VanDerWaalsContact C-N 3.33Å; L19-Y21 PolarHBondContact O-N 3.41Å; Y21-E23 PolarHBondContact O-N 2.94Å; Y21-A24 PolarHBondContact O-N 3.35Å; Y21-I25 VanDerWaalsContact O-CG1 3.27Å; Y21-I25 WeakPolarHBondContact O-CG1 3.37Å; Y21-I25 PolarHBondContact O-N 2.93Å |
| 22 | D | 86.1 | Confident | 78 | Confident | 80 Ų | 80 | 94.1 Ų | 94.1 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.8 | -73 | -19.1 | 0 | 0 | 0 | 111.3 | C18 L19 A24 I25 I26 | C18-D22 PolarHBondContact O-N 3.48Å; L19-D22 PolarHBondContact O-N 3.06Å; D22-A24 VanDerWaalsContact C-N 3.32Å; D22-A24 PolarHBondContact O-N 2.89Å; D22-I25 PolarHBondContact O-N 3.3Å; D22-I26 VanDerWaalsContact O-CG1 3.28Å; D22-I26 WeakPolarHBondContact O-CG1 3.47Å; D22-I26 PolarHBondContact O-N 3.26Å |
| 23 | E | 89.3 | Confident | 79.7 | Confident | 141 Ų | 141 | 91.8 Ų | 91.8 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 174.5 | -75.3 | -178.4 | -178.4 | 0 | 0 | 112.3 | L19 Y21 I26 A27 | L19-E23 WeakPolarHBondContact O-CG 3.45Å; L19-E23 PolarHBondContact O-N 3.43Å; Y21-E23 PolarHBondContact O-N 2.94Å; E23-I26 PolarHBondContact O-N 3.03Å; E23-A27 VanDerWaalsContact O-CB 3.31Å; E23-A27 WeakPolarHBondContact O-CB 3.47Å; E23-A27 PolarHBondContact O-N 2.84Å |
| 24 | A | 90.4 | Very high | 81.5 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 Y21 D22 Q28 | A20-A24 WeakPolarHBondContact O-CB 3.45Å; A20-A24 PolarHBondContact O-N 3.07Å; A20-A24 VanDerWaalsContact O-N 3.11Å; Y21-A24 PolarHBondContact O-N 3.35Å; D22-A24 VanDerWaalsContact C-N 3.32Å; D22-A24 PolarHBondContact O-N 2.89Å; A24-Q28 WeakPolarHBondContact O-CB 3.26Å; A24-Q28 PolarHBondContact O-N 3.49Å |
| 25 | I | 89.4 | Confident | 83.3 | Confident | 82 Ų | 82 | 91 Ų | 91 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 176 | -69.2 | 164.7 | 0 | 0 | 0 | 110.1 | Y21 D22 A27 Q28 Q29 | Y21-I25 VanDerWaalsContact O-CG1 3.27Å; Y21-I25 WeakPolarHBondContact O-CG1 3.37Å; Y21-I25 PolarHBondContact O-N 2.93Å; D22-I25 PolarHBondContact O-N 3.3Å; I25-A27 VanDerWaalsContact C-N 3.35Å; I25-A27 PolarHBondContact O-N 3.28Å; I25-Q28 WeakPolarHBondContact O-CB 3.3Å; I25-Q28 PolarHBondContact O-N 2.92Å; I25-Q28 VanDerWaalsContact O-N 3.13Å; I25-Q29 WeakPolarHBondContact O-CG 3.28Å; I25-Q29 PolarHBondContact O-N 3.49Å |
| 26 | I | 89.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.1 | -68 | 164.9 | 0 | 0 | 0 | 109.7 | D22 E23 Q28 Q29 D30 | D22-I26 VanDerWaalsContact O-CG1 3.28Å; D22-I26 WeakPolarHBondContact O-CG1 3.47Å; D22-I26 PolarHBondContact O-N 3.26Å; E23-I26 PolarHBondContact O-N 3.03Å; I26-Q28 PolarHBondContact O-N 3.41Å; I26-Q29 PolarHBondContact O-N 2.83Å; I26-Q29 VanDerWaalsContact O-N 3.12Å; I26-D30 PolarHBondContact O-N 3.45Å |
| 27 | A | 90.6 | Very high | 86.3 | Confident | 36 Ų | 36 | 88 Ų | 88 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E23 I25 R31 | E23-A27 VanDerWaalsContact O-CB 3.31Å; E23-A27 WeakPolarHBondContact O-CB 3.47Å; E23-A27 PolarHBondContact O-N 2.84Å; I25-A27 VanDerWaalsContact C-N 3.35Å; I25-A27 PolarHBondContact O-N 3.28Å; A27-R31 WeakPolarHBondContact O-CG 3.42Å; A27-R31 VanDerWaalsContact O-CZ 3.32Å; A27-R31 PolarHBondContact O-N 2.78Å; A27-R31 PolarHBondContact O-NH1 3.4Å |
| 28 | Q | 91.6 | Very high | 87.4 | Confident | 106 Ų | 106 | 90.6 Ų | 90.6 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.4 | -45 | 173.8 | -178.1 | 178.3 | 2.3 | 0 | 0 | 111.8 | A24 I25 I26 D30 R31 I32 | A24-Q28 WeakPolarHBondContact O-CB 3.26Å; A24-Q28 PolarHBondContact O-N 3.49Å; I25-Q28 WeakPolarHBondContact O-CB 3.3Å; I25-Q28 PolarHBondContact O-N 2.92Å; I25-Q28 VanDerWaalsContact O-N 3.13Å; I26-Q28 PolarHBondContact O-N 3.41Å; Q28-D30 VanDerWaalsContact C-N 3.33Å; Q28-D30 PolarHBondContact O-N 3.42Å; Q28-R31 PolarHBondContact O-N 3.39Å; Q28-I32 HydrophobicContact CG-CD1 4.07Å; Q28-I32 WeakPolarHBondContact O-CG1 3.38Å; Q28-I32 PolarHBondContact O-N 3.06Å; Q28-I32 VanDerWaalsContact O-N 3.08Å |
| 29 | Q | 88.1 | Confident | 88.5 | Confident | 106 Ų | 106 | 92.4 Ų | 92.4 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.7 | -72.5 | 178.1 | -20.6 | 0 | 0 | 111.1 | I25 I26 R31 I32 Q33 | I25-Q29 WeakPolarHBondContact O-CG 3.28Å; I25-Q29 PolarHBondContact O-N 3.49Å; I26-Q29 PolarHBondContact O-N 2.83Å; I26-Q29 VanDerWaalsContact O-N 3.12Å; Q29-R31 PolarHBondContact O-N 3.28Å; Q29-I32 PolarHBondContact O-N 2.75Å; Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.48Å |
| 30 | D | 89.5 | Confident | 89.5 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 40% | 0.401 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 177.1 | -71.9 | -14.4 | 0 | 0 | 0 | 112 | I26 Q28 I32 Q33 Q34 | I26-D30 PolarHBondContact O-N 3.45Å; Q28-D30 VanDerWaalsContact C-N 3.33Å; Q28-D30 PolarHBondContact O-N 3.42Å; D30-I32 PolarHBondContact O-N 3.04Å; D30-Q33 PolarHBondContact O-N 3.25Å; D30-Q34 WeakPolarHBondContact O-CB 3.5Å; D30-Q34 VanDerWaalsContact O-CG 3.23Å; D30-Q34 WeakPolarHBondContact O-CG 3.5Å; D30-Q34 PolarHBondContact O-N 3Å |
| 31 | R | 92.6 | Very high | 90.3 | Very high | 133 Ų | 133 | 90.1 Ų | 90.1 | 50% | 0.502 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.3 | -76 | -172.8 | -58.7 | -87.8 | 4.7 | 111.8 | A27 Q28 Q29 Q34 E35 | A27-R31 WeakPolarHBondContact O-CG 3.42Å; A27-R31 VanDerWaalsContact O-CZ 3.32Å; A27-R31 PolarHBondContact O-N 2.78Å; A27-R31 PolarHBondContact O-NH1 3.4Å; Q28-R31 PolarHBondContact O-N 3.39Å; Q29-R31 PolarHBondContact O-N 3.28Å; R31-Q34 PolarHBondContact O-N 3.08Å; R31-E35 WeakPolarHBondContact O-CG 3.29Å; R31-E35 PolarHBondContact O-N 3.39Å |
| 32 | I | 90 | Very high | 90.9 | Very high | 82 Ų | 82 | 83.5 Ų | 83.5 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.9 | -67.4 | 166.3 | 0 | 0 | 0 | 110.3 | Q28 Q29 D30 Q34 E35 I36 | Q28-I32 HydrophobicContact CG-CD1 4.07Å; Q28-I32 WeakPolarHBondContact O-CG1 3.38Å; Q28-I32 PolarHBondContact O-N 3.06Å; Q28-I32 VanDerWaalsContact O-N 3.08Å; Q29-I32 PolarHBondContact O-N 2.75Å; D30-I32 PolarHBondContact O-N 3.04Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 3.08Å; I32-E35 PolarHBondContact O-N 3.48Å; I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 WeakPolarHBondContact O-CG1 3.27Å; I32-I36 PolarHBondContact O-N 3.1Å |
| 33 | Q | 88.9 | Confident | 91.5 | Very high | 79 Ų | 79 | 79.8 Ų | 79.8 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 179 | -73.1 | -179 | 2.7 | 0 | 0 | 112.2 | Q29 D30 I36 A37 | Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.48Å; D30-Q33 PolarHBondContact O-N 3.25Å; Q33-I36 PolarHBondContact O-N 3.37Å; Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.41Å; Q33-A37 PolarHBondContact O-N 2.93Å |
| 34 | Q | 89.4 | Confident | 91.9 | Very high | 122 Ų | 122 | 73.5 Ų | 73.5 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 175.3 | -75 | 173.3 | 12.2 | 0 | 0 | 112.3 | D30 R31 I32 I36 A37 N38 | D30-Q34 WeakPolarHBondContact O-CB 3.5Å; D30-Q34 VanDerWaalsContact O-CG 3.23Å; D30-Q34 WeakPolarHBondContact O-CG 3.5Å; D30-Q34 PolarHBondContact O-N 3Å; R31-Q34 PolarHBondContact O-N 3.08Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 3.08Å; Q34-I36 VanDerWaalsContact C-N 3.32Å; Q34-I36 PolarHBondContact O-N 3.35Å; Q34-A37 PolarHBondContact O-N 2.96Å; Q34-N38 PolarHBondContact O-N 3.22Å; Q34-N38 PolarHBondContact O-ND2 3.02Å |
| 35 | E | 91.9 | Very high | 92.3 | Very high | 135 Ų | 135 | 75.7 Ų | 75.7 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 175.7 | -73.8 | 178.7 | -176 | 0 | 0 | 111.8 | R31 I32 N38 T39 | R31-E35 WeakPolarHBondContact O-CG 3.29Å; R31-E35 PolarHBondContact O-N 3.39Å; I32-E35 PolarHBondContact O-N 3.48Å; E35-N38 PolarHBondContact O-N 3.03Å; E35-T39 PolarHBondContact O-OG1 3.27Å; E35-T39 VanDerWaalsContact O-OG1 3.13Å |
| 36 | I | 90.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 78 Ų | 78 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.2 | -68.7 | 169.4 | 0 | 0 | 0 | 110.7 | I32 Q33 Q34 N38 T39 N40 R81 P82 | I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 WeakPolarHBondContact O-CG1 3.27Å; I32-I36 PolarHBondContact O-N 3.1Å; Q33-I36 PolarHBondContact O-N 3.37Å; Q34-I36 VanDerWaalsContact C-N 3.32Å; Q34-I36 PolarHBondContact O-N 3.35Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 2.97Å; I36-T39 PolarHBondContact O-N 3.45Å; I36-T39 PolarHBondContact O-OG1 3.28Å; I36-N40 WeakPolarHBondContact O-CB 3.36Å; I36-N40 PolarHBondContact O-N 3.45Å; I36-N40 PolarHBondContact O-ND2 2.97Å; I36-R81 HydrophobicContact CG2-CG 3.64Å; I36-P82 HydrophobicContact CG2-CG 3.72Å |
| 37 | A | 90.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 77 Ų | 77 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q33 Q34 T39 R81 | Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.41Å; Q33-A37 PolarHBondContact O-N 2.93Å; Q34-A37 PolarHBondContact O-N 2.96Å; A37-T39 VanDerWaalsContact C-N 3.25Å; A37-T39 PolarHBondContact O-N 2.84Å; A37-R81 VanDerWaalsContact CB-CZ 3.47Å; A37-R81 PolarHBondContact O-NH2 2.77Å |
| 38 | N | 90 | Very high | 93.5 | Very high | 138 Ų | 138 | 79.3 Ų | 79.3 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.1 | -23.9 | 176.3 | -71.6 | -27.4 | 0 | 0 | 0 | 113.2 | Q34 E35 I36 | Q34-N38 PolarHBondContact O-N 3.22Å; Q34-N38 PolarHBondContact O-ND2 3.02Å; E35-N38 PolarHBondContact O-N 3.03Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 2.97Å |
| 39 | T | 91 | Very high | 93.7 | Very high | 107 Ų | 107 | 74.3 Ų | 74.3 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -106.1 | -25.4 | -176.2 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | E35 I36 A37 | E35-T39 PolarHBondContact O-OG1 3.27Å; E35-T39 VanDerWaalsContact O-OG1 3.13Å; I36-T39 PolarHBondContact O-N 3.45Å; I36-T39 PolarHBondContact O-OG1 3.28Å; A37-T39 VanDerWaalsContact C-N 3.25Å; A37-T39 PolarHBondContact O-N 2.84Å |
| 40 | N | 93.6 | Very high | 94 | Very high | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -126.6 | 121.6 | -175 | -59.8 | -85.2 | 0 | 0 | 0 | 110.7 | I36 R81 | I36-N40 WeakPolarHBondContact O-CB 3.36Å; I36-N40 PolarHBondContact O-N 3.45Å; I36-N40 PolarHBondContact O-ND2 2.97Å; N40-R81 HydrophobicContact CB-CG 4.44Å; N40-R81 PolarHBondContact O-NE 2.94Å; N40-R81 PolarHBondContact O-NH2 3.46Å |
| 41 | P | 97.5 | Very high | 94.3 | Very high | 61 Ų | 61 | 70.2 Ų | 70.2 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | trans | -62.3 | 164 | 167.2 | 30.7 | -35.5 | 0 | 0 | 0 | 110.1 | V43 N158 | P41-V43 VanDerWaalsContact C-N 3.29Å; P41-V43 PolarHBondContact O-N 2.66Å; P41-N158 WeakPolarHBondContact CB-OD1 3.15Å | ||
| 42 | L | 98.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -60.9 | -44.7 | 177.1 | -72.9 | 172.5 | 0 | 0 | 0 | 111.1 | T80 R81 R89 F157 N158 Q160 | L42-T80 WeakPolarHBondContact O-CA 3.41Å; L42-R81 HydrophobicContact CD2-CB 4.49Å; L42-R81 PolarHBondContact O-N 3.47Å; L42-R81 VanDerWaalsContact O-N 3.08Å; L42-R89 WeakPolarHBondContact O-CD 3.43Å; L42-F157 WeakPolarHBondContact CB-O 3.46Å; L42-N158 PolarHBondContact N-OD1 3.14Å; L42-N158 VanDerWaalsContact N-OD1 3.14Å; L42-Q160 HydrophobicContact CD1-CB 4.43Å |
| 43 | V | 98.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -136.1 | 120.4 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | P41 R78 R89 F93 L154 F157 N158 | P41-V43 VanDerWaalsContact C-N 3.29Å; P41-V43 PolarHBondContact O-N 2.66Å; V43-R78 HydrophobicContact CG1-CG 3.88Å; V43-R89 HydrophobicContact CG2-CG 3.87Å; V43-F93 HydrophobicContact CG1-CD1 4.26Å; V43-F93 HydrophobicContact CG1-CD2 4.12Å; V43-F93 HydrophobicContact CG1-CE2 4.4Å; V43-F93 HydrophobicContact CG1-CG 4.05Å; V43-L154 HydrophobicContact CB-CD1 3.98Å; V43-L154 HydrophobicContact CG1-CD1 3.66Å; V43-F157 HydrophobicContact CB-CB 4.48Å; V43-F157 HydrophobicContact CG2-CB 4.01Å; V43-F157 HydrophobicContact CG2-CD1 4.26Å; V43-N158 PolarHBondContact N-OD1 2.95Å; V43-N158 PolarHBondContact O-ND2 3.33Å; V43-N158 PolarHBondContact O-OD1 3.26Å |
| 44 | S | 98.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 172.4 | -178.8 | 77.7 | 0 | 0 | 0 | 0 | 112.3 | R78 K79 | S44-R78 WeakPolarHBondContact O-CD 3.32Å; S44-R78 WeakPolarHBondContact O-CG 3.22Å; S44-R78 PolarHBondContact O-NH1 3.49Å; S44-K79 PolarHBondContact N-O 3.36Å; S44-K79 PolarHBondContact OG-N 2.88Å; S44-K79 PolarHBondContact OG-O 3.22Å |
| 45 | D | 98.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 68.6 Ų | 68.6 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 163.2 | 158.5 | -72.3 | -48.9 | 0 | 0 | 0 | 111.3 | Q47 L154 | D45-Q47 PolarHBondContact O-N 3.23Å; D45-L154 VanDerWaalsContact OD1-CD2 3.23Å; D45-L154 WeakPolarHBondContact OD1-CD2 3.24Å |
| 46 | R | 98.3 | Very high | 94.5 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 126 | 172.3 | -174.1 | 174.4 | 67.9 | -172.5 | 1.5 | 109.4 | Y76 Y265 | R46-Y76 HydrophobicContact CG-CD1 4.24Å; R46-Y76 HydrophobicContact CG-CG 4.02Å; R46-Y265 HydrophobicContact CG-CD2 4.19Å; R46-Y265 HydrophobicContact CG-CE2 4.24Å |
| 47 | Q | 97.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.9 | -175.5 | -65.2 | 174.7 | -31 | 0 | 0 | 110.4 | D45 L49 V51 Y76 I77 | D45-Q47 PolarHBondContact O-N 3.23Å; Q47-L49 PolarHBondContact O-N 3.47Å; Q47-V51 HydrophobicContact CB-CG1 4.18Å; Q47-V51 HydrophobicContact CB-CG2 4.26Å; Q47-Y76 CarbonylContact O-C 3.52Å; Q47-Y76 WeakPolarHBondContact O-CA 3.3Å; Q47-Y76 VanDerWaalsContact O-CB 3.23Å; Q47-Y76 WeakPolarHBondContact O-CB 3.29Å; Q47-I77 HydrophobicContact CB-CG2 4.19Å; Q47-I77 PolarHBondContact N-O 3Å; Q47-I77 PolarHBondContact O-N 3.22Å |
| 48 | D | 97.9 | Very high | 94.4 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 135.6 | 168.5 | -173.8 | -80.1 | 0 | 0 | 0 | 109.8 | S50 V51 | D48-S50 PolarHBondContact O-N 2.77Å; D48-S50 WeakPolarHBondContact OD1-CB 3.48Å; D48-S50 PolarHBondContact OD1-N 2.79Å; D48-S50 PolarHBondContact OD1-OG 3.29Å; D48-V51 WeakPolarHBondContact O-CG1 2.86Å; D48-V51 VanDerWaalsContact O-CG2 3.3Å; D48-V51 WeakPolarHBondContact O-CG2 3.31Å; D48-V51 PolarHBondContact O-N 3.17Å; D48-V51 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -60.3 | -21.2 | -175.2 | -170.7 | 63.4 | 0 | 0 | 0 | 112.6 | Q47 V51 L52 L70 Y71 Y74 A75 I77 L264 | Q47-L49 PolarHBondContact O-N 3.47Å; L49-V51 PolarHBondContact O-N 3.25Å; L49-L52 HydrophobicContact CD1-CD1 3.57Å; L49-L52 HydrophobicContact CD1-CG 4.17Å; L49-L52 HydrophobicContact CG-CD1 4.34Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.16Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L49-L70 HydrophobicContact CD1-CD2 4.16Å; L49-L70 HydrophobicContact CD2-CB 4.46Å; L49-L70 HydrophobicContact CD2-CD2 4.01Å; L49-L70 HydrophobicContact CD2-CG 3.92Å; L49-Y71 HydrophobicContact CB-CD1 4.05Å; L49-Y71 HydrophobicContact CB-CE1 3.84Å; L49-Y71 HydrophobicContact CD2-CD1 3.61Å; L49-Y71 HydrophobicContact CD2-CE1 3.9Å; L49-Y71 HydrophobicContact CG-CD1 3.79Å; L49-Y71 HydrophobicContact CG-CE1 3.55Å; L49-Y71 WeakPolarHBondContact O-CE1 3.49Å; L49-Y71 PolarHBondContact O-OH 3.32Å; L49-Y74 WeakPolarHBondContact CD2-O 3.18Å; L49-A75 WeakPolarHBondContact CB-O 3.35Å; L49-A75 PolarHBondContact N-O 2.82Å; L49-I77 HydrophobicContact CD1-CB 3.68Å; L49-I77 HydrophobicContact CD1-CD1 4.23Å; L49-I77 HydrophobicContact CD1-CG1 4.44Å; L49-I77 HydrophobicContact CD1-CG2 4.12Å; L49-L264 HydrophobicContact CD1-CD2 3.88Å |
| 50 | S | 95.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.5 | -18.1 | 176.2 | 62.8 | 0 | 0 | 0 | 0 | 114 | D48 L52 Q53 | D48-S50 PolarHBondContact O-N 2.77Å; D48-S50 WeakPolarHBondContact OD1-CB 3.48Å; D48-S50 PolarHBondContact OD1-N 2.79Å; D48-S50 PolarHBondContact OD1-OG 3.29Å; S50-L52 PolarHBondContact O-N 2.91Å; S50-Q53 VanDerWaalsContact O-CB 3.28Å; S50-Q53 WeakPolarHBondContact O-CB 3.44Å; S50-Q53 PolarHBondContact O-N 3.08Å |
| 51 | V | 95.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 70 Ų | 70 | 26% | 0.255 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.9 | 172.9 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | Q47 D48 L49 Q53 K54 I77 | Q47-V51 HydrophobicContact CB-CG1 4.18Å; Q47-V51 HydrophobicContact CB-CG2 4.26Å; D48-V51 WeakPolarHBondContact O-CG1 2.86Å; D48-V51 VanDerWaalsContact O-CG2 3.3Å; D48-V51 WeakPolarHBondContact O-CG2 3.31Å; D48-V51 PolarHBondContact O-N 3.17Å; D48-V51 VanDerWaalsContact O-N 3.14Å; L49-V51 PolarHBondContact O-N 3.25Å; V51-Q53 PolarHBondContact O-N 3.32Å; V51-K54 PolarHBondContact O-N 3.07Å; V51-I77 HydrophobicContact CG2-CG2 3.62Å |
| 52 | L | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -63.9 | -27.5 | 177 | -69.1 | -175.4 | 0 | 0 | 0 | 112.9 | L49 S50 K54 E55 Y56 L67 L70 I77 L255 | L49-L52 HydrophobicContact CD1-CD1 3.57Å; L49-L52 HydrophobicContact CD1-CG 4.17Å; L49-L52 HydrophobicContact CG-CD1 4.34Å; L49-L52 WeakPolarHBondContact O-CB 3.43Å; L49-L52 PolarHBondContact O-N 3.16Å; L49-L52 VanDerWaalsContact O-N 3.07Å; S50-L52 PolarHBondContact O-N 2.91Å; L52-K54 PolarHBondContact O-N 3.5Å; L52-K54 VanDerWaalsContact O-N 3.17Å; L52-E55 WeakPolarHBondContact O-CB 3.29Å; L52-E55 PolarHBondContact O-N 2.84Å; L52-Y56 WeakPolarHBondContact O-CD2 3.24Å; L52-L67 HydrophobicContact CB-CD2 3.67Å; L52-L67 HydrophobicContact CD1-CD2 3.84Å; L52-L67 HydrophobicContact CG-CD2 4.44Å; L52-L70 HydrophobicContact CD1-CD2 4.13Å; L52-I77 HydrophobicContact CD1-CD1 3.99Å; L52-I77 HydrophobicContact CD2-CD1 3.79Å; L52-I77 HydrophobicContact CG-CD1 4.01Å; L52-L255 HydrophobicContact CD1-CD2 3.82Å |
| 53 | Q | 90.3 | Very high | 93.8 | Very high | 107 Ų | 107 | 70.6 Ų | 70.6 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -60.3 | -31.9 | -178.2 | -169 | 174.4 | 18.1 | 0 | 0 | 112 | S50 V51 E55 Y71 | S50-Q53 VanDerWaalsContact O-CB 3.28Å; S50-Q53 WeakPolarHBondContact O-CB 3.44Å; S50-Q53 PolarHBondContact O-N 3.08Å; V51-Q53 PolarHBondContact O-N 3.32Å; Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 2.89Å; Q53-Y71 PolarHBondContact N-OH 3.01Å |
| 54 | K | 90.1 | Very high | 93.5 | Very high | 197 Ų | 197 | 71.8 Ų | 71.8 | 86% | 0.857 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -76.2 | -13.7 | 178.8 | -63.2 | 175.9 | -176.9 | 174.2 | 0 | 113.1 | V51 L52 | V51-K54 PolarHBondContact O-N 3.07Å; L52-K54 PolarHBondContact O-N 3.5Å; L52-K54 VanDerWaalsContact O-N 3.17Å |
| 55 | E | 91.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 75.5 Ų | 75.5 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -88.4 | -13.4 | -177.9 | -62.1 | -179.1 | -145.2 | 0 | 0 | 112.6 | L52 Q53 K79 R257 | L52-E55 WeakPolarHBondContact O-CB 3.29Å; L52-E55 PolarHBondContact O-N 2.84Å; Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 2.89Å; E55-K79 IonicContact OE1-NZ 3.74Å; E55-K79 PolarHBondContact OE1-NZ 3.03Å; E55-K79 IonicContact OE2-NZ 3.03Å; E55-K79 PolarHBondContact OE2-NZ 2.61Å; E55-K79 VanDerWaalsContact OE2-NZ 3.15Å; E55-R257 IonicContact OE2-CZ 2.92Å; E55-R257 IonicContact OE2-NH1 3.81Å; E55-R257 PolarHBondContact OE2-NH1 3.32Å; E55-R257 IonicContact OE2-NH2 2.79Å |
| 56 | Y | 91.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -121.4 | 138.9 | -178.4 | -64.1 | -86.4 | 0 | 0 | 0 | 110.9 | L52 Y63 Q64 L67 M231 R257 | L52-Y56 WeakPolarHBondContact O-CD2 3.24Å; Y56-Y63 AromaticContact CD1-CD1 3.84Å; Y56-Y63 HydrophobicContact CD1-CD1 3.84Å; Y56-Y63 AromaticContact CD1-CD2 3.69Å; Y56-Y63 HydrophobicContact CD1-CD2 3.69Å; Y56-Y63 HydrophobicContact CD1-CE1 4.47Å; Y56-Y63 HydrophobicContact CD1-CE2 4.34Å; Y56-Y63 AromaticContact CD1-CG 3.41Å; Y56-Y63 HydrophobicContact CD1-CG 3.41Å; Y56-Y63 VanDerWaalsContact CD1-CG 3.41Å; Y56-Y63 AromaticContact CE1-CD1 3.41Å; Y56-Y63 HydrophobicContact CE1-CD1 3.41Å; Y56-Y63 VanDerWaalsContact CE1-CD1 3.41Å; Y56-Y63 AromaticContact CE1-CD2 3.81Å; Y56-Y63 HydrophobicContact CE1-CD2 3.81Å; Y56-Y63 AromaticContact CE1-CE1 3.7Å; Y56-Y63 HydrophobicContact CE1-CE1 3.7Å; Y56-Y63 HydrophobicContact CE1-CE2 4.06Å; Y56-Y63 AromaticContact CE1-CG 3.48Å; Y56-Y63 HydrophobicContact CE1-CG 3.48Å; Y56-Y63 VanDerWaalsContact CE1-CG 3.48Å; Y56-Y63 HydrophobicContact CG-CG 4.3Å; Y56-Q64 PolarHBondContact O-NE2 3.39Å; Y56-L67 HydrophobicContact CD2-CD1 3.84Å; Y56-L67 HydrophobicContact CG-CD1 4.34Å; Y56-M231 HydrophobicContact CE1-CE 4.44Å; Y56-M231 HydrophobicContact CE2-CE 3.68Å; Y56-M231 VanDerWaalsContact CZ-CE 3.49Å; Y56-M231 WeakPolarHBondContact OH-CE 3.28Å; Y56-R257 WeakPolarHBondContact OH-CD 3.41Å |
| 57 | A | 90.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | trans | -62.4 | 144.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D59 D60 Q64 | A57-D59 WeakPolarHBondContact CB-OD1 3.42Å; A57-D59 PolarHBondContact O-N 3.41Å; A57-D60 HydrophobicContact CB-CB 4.47Å; A57-D60 PolarHBondContact O-N 3.36Å; A57-D60 VanDerWaalsContact O-N 3.13Å; A57-Q64 PolarHBondContact O-NE2 3.19Å | ||
| 58 | E | 88.9 | Confident | 92.8 | Very high | 181 Ų | 181 | 67.3 Ų | 67.3 | 85% | 0.846 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.2 | -178.2 | -65.3 | -172.3 | 167.5 | 0 | 0 | 112.5 | ||
| 59 | D | 91.5 | Very high | 92.6 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.8 | 177.3 | 64.7 | -26.7 | 0 | 0 | 0 | 113.6 | A57 T61 | A57-D59 WeakPolarHBondContact CB-OD1 3.42Å; A57-D59 PolarHBondContact O-N 3.41Å; D59-T61 PolarHBondContact O-N 3.38Å |
| 60 | D | 91.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | trans | -76.6 | 76 | 170.6 | -162.4 | -39.4 | 0 | 0 | 0 | 110.4 | A57 V62 Y63 Q64 R233 | A57-D60 HydrophobicContact CB-CB 4.47Å; A57-D60 PolarHBondContact O-N 3.36Å; A57-D60 VanDerWaalsContact O-N 3.13Å; D60-V62 PolarHBondContact O-N 3.12Å; D60-V62 VanDerWaalsContact O-N 3.09Å; D60-V62 PolarHBondContact OD1-N 3.04Å; D60-Y63 PolarHBondContact O-N 2.69Å; D60-Y63 PolarHBondContact OD1-N 2.85Å; D60-Y63 WeakPolarHBondContact OD2-CD2 3.46Å; D60-Q64 WeakPolarHBondContact O-CB 3.39Å; D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 2.66Å; D60-R233 IonicContact OD2-CZ 3.69Å; D60-R233 IonicContact OD2-NH2 2.66Å; D60-R233 PolarHBondContact OD2-NH2 3.49Å | ||
| 61 | T | 90.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 60% | 0.595 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -53.8 | -31.9 | -176 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | D59 L65 | D59-T61 PolarHBondContact O-N 3.38Å; T61-L65 WeakPolarHBondContact O-CB 3.38Å; T61-L65 VanDerWaalsContact O-CG 3.22Å; T61-L65 WeakPolarHBondContact O-CG 3.26Å; T61-L65 PolarHBondContact O-N 2.77Å |
| 62 | V | 91.3 | Very high | 92.6 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.6 | -54 | -179.7 | 177 | 0 | 0 | 0 | 0 | 110.1 | D60 Q64 L65 K66 | D60-V62 PolarHBondContact O-N 3.12Å; D60-V62 VanDerWaalsContact O-N 3.09Å; D60-V62 PolarHBondContact OD1-N 3.04Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.17Å; V62-L65 PolarHBondContact O-N 2.87Å; V62-K66 PolarHBondContact O-N 2.94Å; V62-K66 VanDerWaalsContact O-N 3.13Å |
| 63 | Y | 91.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 178.5 | -79.2 | -69.2 | 0 | 0 | 0 | 112.2 | Y56 D60 L65 K66 L67 M231 R233 | Y56-Y63 AromaticContact CD1-CD1 3.84Å; Y56-Y63 HydrophobicContact CD1-CD1 3.84Å; Y56-Y63 AromaticContact CD1-CD2 3.69Å; Y56-Y63 HydrophobicContact CD1-CD2 3.69Å; Y56-Y63 HydrophobicContact CD1-CE1 4.47Å; Y56-Y63 HydrophobicContact CD1-CE2 4.34Å; Y56-Y63 AromaticContact CD1-CG 3.41Å; Y56-Y63 HydrophobicContact CD1-CG 3.41Å; Y56-Y63 VanDerWaalsContact CD1-CG 3.41Å; Y56-Y63 AromaticContact CE1-CD1 3.41Å; Y56-Y63 HydrophobicContact CE1-CD1 3.41Å; Y56-Y63 VanDerWaalsContact CE1-CD1 3.41Å; Y56-Y63 AromaticContact CE1-CD2 3.81Å; Y56-Y63 HydrophobicContact CE1-CD2 3.81Å; Y56-Y63 AromaticContact CE1-CE1 3.7Å; Y56-Y63 HydrophobicContact CE1-CE1 3.7Å; Y56-Y63 HydrophobicContact CE1-CE2 4.06Å; Y56-Y63 AromaticContact CE1-CG 3.48Å; Y56-Y63 HydrophobicContact CE1-CG 3.48Å; Y56-Y63 VanDerWaalsContact CE1-CG 3.48Å; Y56-Y63 HydrophobicContact CG-CG 4.3Å; D60-Y63 PolarHBondContact O-N 2.69Å; D60-Y63 PolarHBondContact OD1-N 2.85Å; D60-Y63 WeakPolarHBondContact OD2-CD2 3.46Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.36Å; Y63-K66 PolarHBondContact O-N 3.22Å; Y63-L67 WeakPolarHBondContact O-CB 3.48Å; Y63-L67 VanDerWaalsContact O-CG 3.31Å; Y63-L67 WeakPolarHBondContact O-CG 3Å; Y63-L67 PolarHBondContact O-N 3.2Å; Y63-M231 HydrophobicContact CD1-CE 4.28Å; Y63-M231 HydrophobicContact CD1-CG 3.95Å; Y63-M231 HydrophobicContact CD1-SD 4.29Å; Y63-M231 HydrophobicContact CE1-CG 4.06Å; Y63-R233 HydrophobicContact CE2-CG 3.9Å |
| 64 | Q | 93.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 176.1 | -67.1 | -62.2 | -27.9 | 0 | 0 | 112.6 | Y56 A57 D60 V62 K68 | Y56-Q64 PolarHBondContact O-NE2 3.39Å; A57-Q64 PolarHBondContact O-NE2 3.19Å; D60-Q64 WeakPolarHBondContact O-CB 3.39Å; D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 2.66Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.17Å; Q64-K68 VanDerWaalsContact O-CG 3.32Å; Q64-K68 WeakPolarHBondContact O-CG 2.93Å; Q64-K68 PolarHBondContact O-N 3.32Å |
| 65 | L | 93.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 62 Ų | 62 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 174 | -73.2 | 170.4 | 0 | 0 | 0 | 111.7 | T61 V62 Y63 L67 K68 D69 G237 | T61-L65 WeakPolarHBondContact O-CB 3.38Å; T61-L65 VanDerWaalsContact O-CG 3.22Å; T61-L65 WeakPolarHBondContact O-CG 3.26Å; T61-L65 PolarHBondContact O-N 2.77Å; V62-L65 PolarHBondContact O-N 2.87Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 3.36Å; L65-L67 PolarHBondContact O-N 3.3Å; L65-K68 WeakPolarHBondContact O-CB 3.49Å; L65-K68 PolarHBondContact O-N 2.89Å; L65-D69 PolarHBondContact O-N 2.91Å; L65-G237 CarbonylContact C-O 3.55Å; L65-G237 VanDerWaalsContact C-O 3.28Å |
| 66 | K | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 178.1 | -73.7 | -166.8 | 178.8 | -168.2 | 0 | 112.5 | V62 Y63 K68 D69 L70 M231 D232 G234 G237 S238 V239 | V62-K66 PolarHBondContact O-N 2.94Å; V62-K66 VanDerWaalsContact O-N 3.13Å; Y63-K66 PolarHBondContact O-N 3.22Å; K66-K68 PolarHBondContact O-N 3.01Å; K66-D69 WeakPolarHBondContact O-CB 3.25Å; K66-D69 PolarHBondContact O-N 3.01Å; K66-D69 VanDerWaalsContact O-N 3.15Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 PolarHBondContact O-N 3.03Å; K66-M231 HydrophobicContact CB-CG 4Å; K66-M231 HydrophobicContact CB-SD 4.3Å; K66-M231 HydrophobicContact CD-CG 4.17Å; K66-D232 VanDerWaalsContact CD-O 3.32Å; K66-D232 WeakPolarHBondContact CD-O 3.48Å; K66-D232 VanDerWaalsContact CE-O 3.28Å; K66-D232 WeakPolarHBondContact CE-O 3.49Å; K66-D232 PolarHBondContact NZ-O 3.34Å; K66-D232 IonicContact NZ-OD1 2.72Å; K66-D232 PolarHBondContact NZ-OD1 3Å; K66-G234 PolarHBondContact NZ-O 3.4Å; K66-G237 PolarHBondContact N-O 3.13Å; K66-S238 WeakPolarHBondContact CE-O 3.39Å; K66-V239 HydrophobicContact CB-CG2 3.84Å; K66-V239 HydrophobicContact CG-CG2 4.31Å; K66-V239 VanDerWaalsContact O-CG2 3.29Å; K66-V239 WeakPolarHBondContact O-CG2 3.3Å |
| 67 | L | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 172.7 | -73.8 | 173.3 | 0 | 0 | 0 | 111.8 | L52 Y56 Y63 L65 D69 L70 Y71 M231 | L52-L67 HydrophobicContact CB-CD2 3.67Å; L52-L67 HydrophobicContact CD1-CD2 3.84Å; L52-L67 HydrophobicContact CG-CD2 4.44Å; Y56-L67 HydrophobicContact CD2-CD1 3.84Å; Y56-L67 HydrophobicContact CG-CD1 4.34Å; Y63-L67 WeakPolarHBondContact O-CB 3.48Å; Y63-L67 VanDerWaalsContact O-CG 3.31Å; Y63-L67 WeakPolarHBondContact O-CG 3Å; Y63-L67 PolarHBondContact O-N 3.2Å; L65-L67 PolarHBondContact O-N 3.3Å; L67-D69 PolarHBondContact O-N 3Å; L67-L70 PolarHBondContact O-N 3.31Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-Y71 HydrophobicContact CB-CE2 3.92Å; L67-Y71 WeakPolarHBondContact O-CD2 3.23Å; L67-Y71 VanDerWaalsContact O-CG 3.23Å; L67-Y71 PolarHBondContact O-N 3.44Å; L67-M231 HydrophobicContact CD2-CE 4.25Å; L67-M231 HydrophobicContact CD2-SD 3.88Å; L67-M231 HydrophobicContact CG-SD 4.25Å |
| 68 | K | 94.1 | Very high | 94.6 | Very high | 126 Ų | 126 | 58.5 Ų | 58.5 | 55% | 0.548 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 175.3 | -74.4 | 173.2 | -176.3 | 175.4 | 0 | 112.9 | Q64 L65 K66 K72 | Q64-K68 VanDerWaalsContact O-CG 3.32Å; Q64-K68 WeakPolarHBondContact O-CG 2.93Å; Q64-K68 PolarHBondContact O-N 3.32Å; L65-K68 WeakPolarHBondContact O-CB 3.49Å; L65-K68 PolarHBondContact O-N 2.89Å; K66-K68 PolarHBondContact O-N 3.01Å; K68-K72 WeakPolarHBondContact O-CE 3.38Å; K68-K72 WeakPolarHBondContact O-CG 3.47Å |
| 69 | D | 94.9 | Very high | 95 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71 | -44.9 | 173.5 | -170.2 | 59 | 0 | 0 | 0 | 111.6 | L65 K66 L67 Y71 K72 K73 V239 | L65-D69 PolarHBondContact O-N 2.91Å; K66-D69 WeakPolarHBondContact O-CB 3.25Å; K66-D69 PolarHBondContact O-N 3.01Å; K66-D69 VanDerWaalsContact O-N 3.15Å; L67-D69 PolarHBondContact O-N 3Å; D69-Y71 VanDerWaalsContact C-N 3.33Å; D69-Y71 PolarHBondContact O-N 3.13Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.4Å; D69-K72 VanDerWaalsContact O-N 3.08Å; D69-K72 IonicContact OD1-NZ 3.17Å; D69-K73 WeakPolarHBondContact OD2-CE 3.24Å; D69-K73 IonicContact OD2-NZ 3.55Å; D69-K73 PolarHBondContact OD2-NZ 2.86Å; D69-V239 PolarHBondContact OD2-N 3.5Å |
| 70 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 178.5 | -161.1 | 69.9 | 0 | 0 | 0 | 112.1 | L49 L52 K66 L67 K72 K73 Y74 E229 V239 L255 L264 | L49-L70 HydrophobicContact CD1-CD2 4.16Å; L49-L70 HydrophobicContact CD2-CB 4.46Å; L49-L70 HydrophobicContact CD2-CD2 4.01Å; L49-L70 HydrophobicContact CD2-CG 3.92Å; L52-L70 HydrophobicContact CD1-CD2 4.13Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 PolarHBondContact O-N 3.03Å; L67-L70 PolarHBondContact O-N 3.31Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L70-K72 PolarHBondContact O-N 2.91Å; L70-K72 VanDerWaalsContact O-N 3.12Å; L70-K73 PolarHBondContact O-N 2.83Å; L70-Y74 HydrophobicContact CD1-CD2 3.68Å; L70-Y74 HydrophobicContact CD1-CE2 4.01Å; L70-Y74 HydrophobicContact CG-CD2 4.16Å; L70-Y74 PolarHBondContact O-N 2.86Å; L70-E229 HydrophobicContact CD1-CB 4.17Å; L70-E229 HydrophobicContact CD1-CG 4.17Å; L70-V239 HydrophobicContact CB-CG2 4.24Å; L70-V239 HydrophobicContact CD1-CG1 4.45Å; L70-V239 HydrophobicContact CD1-CG2 4.29Å; L70-L255 HydrophobicContact CD1-CD1 4.38Å; L70-L255 HydrophobicContact CD2-CD1 3.94Å; L70-L255 HydrophobicContact CD2-CD2 4.29Å; L70-L264 HydrophobicContact CD1-CD1 4.01Å; L70-L264 HydrophobicContact CD2-CD2 4.27Å |
| 71 | Y | 95.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 29% | 0.286 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | 176.1 | -67.2 | -42.3 | 0 | 0 | 0 | 114.3 | L49 Q53 L67 D69 | L49-Y71 HydrophobicContact CB-CD1 4.05Å; L49-Y71 HydrophobicContact CB-CE1 3.84Å; L49-Y71 HydrophobicContact CD2-CD1 3.61Å; L49-Y71 HydrophobicContact CD2-CE1 3.9Å; L49-Y71 HydrophobicContact CG-CD1 3.79Å; L49-Y71 HydrophobicContact CG-CE1 3.55Å; L49-Y71 WeakPolarHBondContact O-CE1 3.49Å; L49-Y71 PolarHBondContact O-OH 3.32Å; Q53-Y71 PolarHBondContact N-OH 3.01Å; L67-Y71 HydrophobicContact CB-CE2 3.92Å; L67-Y71 WeakPolarHBondContact O-CD2 3.23Å; L67-Y71 VanDerWaalsContact O-CG 3.23Å; L67-Y71 PolarHBondContact O-N 3.44Å; D69-Y71 VanDerWaalsContact C-N 3.33Å; D69-Y71 PolarHBondContact O-N 3.13Å |
| 72 | K | 95.6 | Very high | 95.9 | Very high | 164 Ų | 164 | 43.6 Ų | 43.6 | 71% | 0.713 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -22.1 | 174.7 | -60.8 | 168 | -169 | 165.9 | 0 | 112.4 | K68 D69 L70 | K68-K72 WeakPolarHBondContact O-CE 3.38Å; K68-K72 WeakPolarHBondContact O-CG 3.47Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.4Å; D69-K72 VanDerWaalsContact O-N 3.08Å; D69-K72 IonicContact OD1-NZ 3.17Å; L70-K72 PolarHBondContact O-N 2.91Å; L70-K72 VanDerWaalsContact O-N 3.12Å |
| 73 | K | 96.4 | Very high | 96 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -30.3 | -171.9 | -56.9 | 177.7 | -161.6 | 169.8 | 0 | 112.4 | D69 L70 E229 V239 | D69-K73 WeakPolarHBondContact OD2-CE 3.24Å; D69-K73 IonicContact OD2-NZ 3.55Å; D69-K73 PolarHBondContact OD2-NZ 2.86Å; L70-K73 PolarHBondContact O-N 2.83Å; K73-E229 IonicContact NZ-OE1 2.75Å; K73-E229 IonicContact NZ-OE2 3.04Å; K73-E229 PolarHBondContact NZ-OE2 2.94Å; K73-V239 PolarHBondContact NZ-O 2.92Å |
| 74 | Y | 98.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | trans | -136.6 | 139.7 | -171.4 | -58.3 | -79.5 | 0 | 0 | 0 | 111.7 | L49 L70 L227 E229 F253 L264 Y265 K266 | L49-Y74 WeakPolarHBondContact CD2-O 3.18Å; L70-Y74 HydrophobicContact CD1-CD2 3.68Å; L70-Y74 HydrophobicContact CD1-CE2 4.01Å; L70-Y74 HydrophobicContact CG-CD2 4.16Å; L70-Y74 PolarHBondContact O-N 2.86Å; Y74-L227 WeakPolarHBondContact OH-CD2 3.35Å; Y74-E229 HydrophobicContact CE2-CG 3.6Å; Y74-E229 PolarHBondContact OH-OE1 3.48Å; Y74-F253 HydrophobicContact CE1-CB 3.68Å; Y74-F253 HydrophobicContact CE1-CD1 4.01Å; Y74-F253 AromaticContact CE1-CG 3.8Å; Y74-F253 HydrophobicContact CE1-CG 3.8Å; Y74-L264 HydrophobicContact CD1-CB 3.6Å; Y74-L264 HydrophobicContact CD1-CD1 4.38Å; Y74-L264 HydrophobicContact CD2-CB 4.49Å; Y74-L264 HydrophobicContact CD2-CD1 3.88Å; Y74-L264 HydrophobicContact CE1-CB 3.83Å; Y74-L264 HydrophobicContact CE1-CD1 4.3Å; Y74-L264 HydrophobicContact CE2-CD1 3.84Å; Y74-L264 HydrophobicContact CG-CB 3.95Å; Y74-L264 HydrophobicContact CG-CD1 4.17Å; Y74-L264 HydrophobicContact CG-CD2 4.42Å; Y74-L264 HydrophobicContact CG-CG 4.42Å; Y74-Y265 CarbonylContact C-O 3.52Å; Y74-Y265 VanDerWaalsContact CA-O 3.31Å; Y74-Y265 WeakPolarHBondContact CA-O 3.35Å; Y74-Y265 WeakPolarHBondContact CB-O 3.46Å; Y74-K266 HydrophobicContact CD1-CG 3.97Å; Y74-K266 HydrophobicContact CE1-CG 3.94Å | ||
| 75 | A | 97.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -97.9 | -33.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L49 Y265 K266 | L49-A75 WeakPolarHBondContact CB-O 3.35Å; L49-A75 PolarHBondContact N-O 2.82Å; A75-Y265 PolarHBondContact N-O 2.75Å; A75-K266 PolarHBondContact N-OXT 3.47Å |
| 76 | Y | 98.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.1 | -174.4 | -50.3 | -87 | 0 | 0 | 0 | 113 | R46 Q47 Y265 | R46-Y76 HydrophobicContact CG-CD1 4.24Å; R46-Y76 HydrophobicContact CG-CG 4.02Å; Q47-Y76 CarbonylContact O-C 3.52Å; Q47-Y76 WeakPolarHBondContact O-CA 3.3Å; Q47-Y76 VanDerWaalsContact O-CB 3.23Å; Q47-Y76 WeakPolarHBondContact O-CB 3.29Å; Y76-Y265 PolarHBondContact N-O 3.09Å; Y76-Y265 PolarHBondContact O-N 2.81Å |
| 77 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.4 | 171.5 | -171.1 | 168.2 | 0 | 0 | 0 | 109.9 | Q47 L49 V51 L52 K79 L255 D262 I263 | Q47-I77 HydrophobicContact CB-CG2 4.19Å; Q47-I77 PolarHBondContact N-O 3Å; Q47-I77 PolarHBondContact O-N 3.22Å; L49-I77 HydrophobicContact CD1-CB 3.68Å; L49-I77 HydrophobicContact CD1-CD1 4.23Å; L49-I77 HydrophobicContact CD1-CG1 4.44Å; L49-I77 HydrophobicContact CD1-CG2 4.12Å; V51-I77 HydrophobicContact CG2-CG2 3.62Å; L52-I77 HydrophobicContact CD1-CD1 3.99Å; L52-I77 HydrophobicContact CD2-CD1 3.79Å; L52-I77 HydrophobicContact CG-CD1 4.01Å; I77-K79 HydrophobicContact CD1-CG 4.47Å; I77-K79 HydrophobicContact CG1-CG 4.48Å; I77-L255 HydrophobicContact CD1-CD2 4.08Å; I77-D262 HydrophobicContact CD1-CB 3.85Å; I77-D262 HydrophobicContact CG1-CB 3.99Å; I77-I263 CarbonylContact C-O 3.58Å; I77-I263 VanDerWaalsContact CA-O 3.28Å; I77-I263 WeakPolarHBondContact CA-O 3.41Å; I77-I263 WeakPolarHBondContact CG1-O 3.33Å |
| 78 | R | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121 | 163.9 | -176.1 | -177.7 | -59.7 | -98.3 | 17.2 | 108.2 | V43 S44 F93 E97 I263 Y265 | V43-R78 HydrophobicContact CG1-CG 3.88Å; S44-R78 WeakPolarHBondContact O-CD 3.32Å; S44-R78 WeakPolarHBondContact O-CG 3.22Å; S44-R78 PolarHBondContact O-NH1 3.49Å; R78-F93 VanDerWaalsContact CD-CE1 3.42Å; R78-F93 VanDerWaalsContact NE-CE1 3.27Å; R78-E97 IonicContact NH2-OE1 3.16Å; R78-E97 PolarHBondContact NH2-OE1 3.14Å; R78-I263 HydrophobicContact CB-CB 4.21Å; R78-I263 HydrophobicContact CB-CD1 4.41Å; R78-I263 HydrophobicContact CG-CD1 4.49Å; R78-I263 PolarHBondContact N-O 3.17Å; R78-I263 PolarHBondContact O-N 3.21Å; R78-Y265 HydrophobicContact CB-CE2 3.62Å; R78-Y265 PolarHBondContact NE-OH 3.05Å |
| 79 | K | 98.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | trans | -83.6 | 148 | -174.4 | -57.3 | -172.8 | 71.9 | 167.7 | 0 | 111 | S44 E55 I77 D262 | S44-K79 PolarHBondContact N-O 3.36Å; S44-K79 PolarHBondContact OG-N 2.88Å; S44-K79 PolarHBondContact OG-O 3.22Å; E55-K79 IonicContact OE1-NZ 3.74Å; E55-K79 PolarHBondContact OE1-NZ 3.03Å; E55-K79 IonicContact OE2-NZ 3.03Å; E55-K79 PolarHBondContact OE2-NZ 2.61Å; E55-K79 VanDerWaalsContact OE2-NZ 3.15Å; I77-K79 HydrophobicContact CD1-CG 4.47Å; I77-K79 HydrophobicContact CG1-CG 4.48Å; K79-D262 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 80 | T | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -113.4 | 159.9 | 170.4 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | L42 C86 A90 H260 Y261 D262 | L42-T80 WeakPolarHBondContact O-CA 3.41Å; T80-C86 WeakPolarHBondContact OG1-CB 3.38Å; T80-A90 HydrophobicContact CG2-CB 3.77Å; T80-H260 PolarHBondContact O-CE1 3.43Å; T80-H260 PolarHBondContact O-NE2 2.89Å; T80-H260 PolarHBondContact OG1-CE1 3.34Å; T80-Y261 PolarHBondContact OG1-O 2.84Å; T80-D262 PolarHBondContact N-OD1 3.02Å |
| 81 | R | 97.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | trans | -66 | 134.6 | 176.1 | -171.1 | 178.9 | -71.5 | 167.1 | -2.9 | 110.3 | I36 A37 N40 L42 D83 | I36-R81 HydrophobicContact CG2-CG 3.64Å; A37-R81 VanDerWaalsContact CB-CZ 3.47Å; A37-R81 PolarHBondContact O-NH2 2.77Å; N40-R81 HydrophobicContact CB-CG 4.44Å; N40-R81 PolarHBondContact O-NE 2.94Å; N40-R81 PolarHBondContact O-NH2 3.46Å; L42-R81 HydrophobicContact CD2-CB 4.49Å; L42-R81 PolarHBondContact O-N 3.47Å; L42-R81 VanDerWaalsContact O-N 3.08Å; R81-D83 HydrophobicContact CB-CB 4.5Å; R81-D83 HydrophobicContact CG-CB 4.05Å; R81-D83 PolarHBondContact O-N 3.1Å | ||
| 82 | P | 95.6 | Very high | 97.7 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 38% | 0.377 | 13% | 0.132 | S | C | . | . | trans | -79 | 66.7 | 173.4 | 32.9 | -35 | 0 | 0 | 0 | 110.9 | I36 | I36-P82 HydrophobicContact CG2-CG 3.72Š| ||
| 83 | D | 95.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 10% | 0.102 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -107.4 | 14.6 | -177 | 63.1 | 0.8 | 0 | 0 | 0 | 113.1 | R81 N85 C86 R89 S207 | R81-D83 HydrophobicContact CB-CB 4.5Å; R81-D83 HydrophobicContact CG-CB 4.05Å; R81-D83 PolarHBondContact O-N 3.1Å; D83-N85 PolarHBondContact O-N 3.34Å; D83-N85 PolarHBondContact O-ND2 3.41Å; D83-N85 WeakPolarHBondContact OD1-CA 3.35Å; D83-N85 VanDerWaalsContact OD1-CB 3.31Å; D83-N85 WeakPolarHBondContact OD1-CB 3.42Å; D83-N85 PolarHBondContact OD1-N 2.64Å; D83-C86 PolarHBondContact OD1-N 3.08Å; D83-R89 IonicContact OD2-CZ 3.81Å; D83-R89 IonicContact OD2-NE 3.2Å; D83-R89 IonicContact OD2-NH2 3.21Å; D83-R89 PolarHBondContact OD2-NH2 3.48Å; D83-S207 WeakPolarHBondContact O-CA 3.06Å; D83-S207 VanDerWaalsContact O-CB 3.32Å; D83-S207 WeakPolarHBondContact O-CB 3.39Å; D83-S207 PolarHBondContact O-OG 3.32Å |
| 84 | G | 94.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 75.5 | -5.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | R171 K208 | G84-R171 PolarHBondContact O-NH2 3.38Å; G84-R171 VanDerWaalsContact O-NH2 3.11Å; G84-K208 CarbonylContact O-C 3.54Å |
| 85 | N | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | -106.4 | 1.7 | 177.3 | -57.4 | -57.7 | 0 | 0 | 0 | 113 | D83 F87 Y88 R89 V167 R171 S207 | D83-N85 PolarHBondContact O-N 3.34Å; D83-N85 PolarHBondContact O-ND2 3.41Å; D83-N85 WeakPolarHBondContact OD1-CA 3.35Å; D83-N85 VanDerWaalsContact OD1-CB 3.31Å; D83-N85 WeakPolarHBondContact OD1-CB 3.42Å; D83-N85 PolarHBondContact OD1-N 2.64Å; N85-F87 VanDerWaalsContact C-N 3.28Å; N85-F87 PolarHBondContact O-N 3.14Å; N85-F87 VanDerWaalsContact O-N 3.14Å; N85-Y88 PolarHBondContact O-N 3.2Å; N85-Y88 VanDerWaalsContact O-N 3.12Å; N85-R89 PolarHBondContact O-N 3.09Å; N85-V167 HydrophobicContact CB-CG1 3.81Å; N85-V167 HydrophobicContact CB-CG2 4.3Å; N85-R171 PolarHBondContact OD1-NE 3.25Å; N85-R171 PolarHBondContact OD1-NH2 2.85Å; N85-S207 PolarHBondContact OD1-N 3.06Å | ||
| 86 | C | 97.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 5% | 0.054 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -47.4 | -42.5 | -175.2 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | T80 D83 A90 | T80-C86 WeakPolarHBondContact OG1-CB 3.38Å; D83-C86 PolarHBondContact OD1-N 3.08Å; C86-A90 WeakPolarHBondContact O-CB 3.4Å; C86-A90 PolarHBondContact O-N 2.75Å |
| 87 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.6 | -57.7 | 176.7 | 168.4 | -112.3 | 0 | 0 | 0 | 112.3 | N85 R89 A90 F91 H214 I215 L218 L254 Y261 | N85-F87 VanDerWaalsContact C-N 3.28Å; N85-F87 PolarHBondContact O-N 3.14Å; N85-F87 VanDerWaalsContact O-N 3.14Å; F87-R89 VanDerWaalsContact C-N 3.27Å; F87-R89 PolarHBondContact O-N 3.17Å; F87-A90 PolarHBondContact O-N 3.07Å; F87-F91 HydrophobicContact CE2-CB 4.38Å; F87-F91 VanDerWaalsContact O-CB 3.24Å; F87-F91 WeakPolarHBondContact O-CB 3.5Å; F87-F91 PolarHBondContact O-N 3.17Å; F87-H214 HydrophobicContact CE1-CB 4.39Å; F87-I215 HydrophobicContact CD2-CG1 4.17Å; F87-I215 HydrophobicContact CE1-CG1 4.49Å; F87-I215 HydrophobicContact CE2-CB 4.16Å; F87-I215 HydrophobicContact CE2-CD1 4.41Å; F87-I215 HydrophobicContact CE2-CG1 3.72Å; F87-I215 HydrophobicContact CE2-CG2 3.93Å; F87-I215 HydrophobicContact CZ-CB 4.06Å; F87-I215 HydrophobicContact CZ-CG1 3.91Å; F87-I215 HydrophobicContact CZ-CG2 4.07Å; F87-L218 HydrophobicContact CE1-CB 4.44Å; F87-L218 HydrophobicContact CE1-CD2 3.74Å; F87-L218 HydrophobicContact CZ-CB 4.48Å; F87-L218 HydrophobicContact CZ-CD2 3.92Å; F87-L254 HydrophobicContact CD2-CD1 4.08Å; F87-L254 HydrophobicContact CE2-CD1 4.06Å; F87-Y261 HydrophobicContact CB-CD2 3.72Å; F87-Y261 HydrophobicContact CB-CE2 3.99Å; F87-Y261 HydrophobicContact CB-CG 4.1Å; F87-Y261 HydrophobicContact CD2-CD1 4.3Å; F87-Y261 HydrophobicContact CD2-CE1 4.32Å; F87-Y261 HydrophobicContact CD2-CG 4.47Å |
| 88 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | -178.4 | -63.8 | -73 | 0 | 0 | 0 | 111.8 | N85 G92 V167 L170 R171 T174 S210 H214 L218 | N85-Y88 PolarHBondContact O-N 3.2Å; N85-Y88 VanDerWaalsContact O-N 3.12Å; Y88-G92 PolarHBondContact O-N 3.45Å; Y88-V167 HydrophobicContact CD2-CG1 4.47Å; Y88-V167 HydrophobicContact CG-CG1 4.48Å; Y88-L170 HydrophobicContact CD1-CB 3.72Å; Y88-L170 HydrophobicContact CE1-CB 4.48Å; Y88-L170 HydrophobicContact CG-CB 4.43Å; Y88-L170 WeakPolarHBondContact O-CD1 3.31Å; Y88-R171 HydrophobicContact CD1-CG 4.33Å; Y88-R171 HydrophobicContact CD2-CG 3.83Å; Y88-R171 HydrophobicContact CE1-CG 4.05Å; Y88-R171 HydrophobicContact CE2-CG 3.52Å; Y88-R171 HydrophobicContact CG-CG 4.22Å; Y88-T174 WeakPolarHBondContact CE1-OG1 3.39Å; Y88-S210 WeakPolarHBondContact CE2-OG 3.42Å; Y88-H214 PolarHBondContact OH-CD2 3Å; Y88-L218 HydrophobicContact CD1-CD2 3.88Å; Y88-L218 HydrophobicContact CE1-CD2 4.1Å |
| 89 | R | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.3 | -45.3 | 179.3 | -153.8 | -179.9 | -55.6 | -80.9 | 6 | 111.7 | L42 V43 D83 N85 F87 F93 F157 S163 D164 V167 | L42-R89 WeakPolarHBondContact O-CD 3.43Å; V43-R89 HydrophobicContact CG2-CG 3.87Å; D83-R89 IonicContact OD2-CZ 3.81Å; D83-R89 IonicContact OD2-NE 3.2Å; D83-R89 IonicContact OD2-NH2 3.21Å; D83-R89 PolarHBondContact OD2-NH2 3.48Å; N85-R89 PolarHBondContact O-N 3.09Å; F87-R89 VanDerWaalsContact C-N 3.27Å; F87-R89 PolarHBondContact O-N 3.17Å; R89-F93 WeakPolarHBondContact O-CB 3.29Å; R89-F93 PolarHBondContact O-N 2.87Å; R89-F93 VanDerWaalsContact O-N 3.11Å; R89-F157 HydrophobicContact CG-CD1 4.18Å; R89-S163 PolarHBondContact NH1-OG 3.15Å; R89-D164 IonicContact CZ-OD1 2.8Å; R89-D164 IonicContact NH1-OD1 2.65Å; R89-D164 PolarHBondContact NH1-OD1 3.09Å; R89-D164 IonicContact NH2-OD1 3.15Å; R89-D164 PolarHBondContact NH2-OD1 3.25Å; R89-V167 HydrophobicContact CB-CG2 4.27Å |
| 90 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T80 C86 F87 A94 L254 I263 | T80-A90 HydrophobicContact CG2-CB 3.77Å; C86-A90 WeakPolarHBondContact O-CB 3.4Å; C86-A90 PolarHBondContact O-N 2.75Å; F87-A90 PolarHBondContact O-N 3.07Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.05Å; A90-L254 HydrophobicContact CB-CD2 3.93Å; A90-I263 HydrophobicContact CB-CD1 4.4Å; A90-I263 HydrophobicContact CB-CG1 3.77Å |
| 91 | F | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.4 | -53.3 | 176.8 | 170.4 | -93.2 | 0 | 0 | 0 | 111.8 | F87 F93 A94 H95 L170 L218 L222 V224 I226 I252 | F87-F91 HydrophobicContact CE2-CB 4.38Å; F87-F91 VanDerWaalsContact O-CB 3.24Å; F87-F91 WeakPolarHBondContact O-CB 3.5Å; F87-F91 PolarHBondContact O-N 3.17Å; F91-F93 PolarHBondContact O-N 3.02Å; F91-A94 PolarHBondContact O-N 3.42Å; F91-H95 HydrophobicContact CZ-CB 4.49Å; F91-H95 VanDerWaalsContact O-CB 3.25Å; F91-H95 WeakPolarHBondContact O-CB 3.34Å; F91-H95 PolarHBondContact O-N 3.25Å; F91-L170 HydrophobicContact CD1-CD1 4.19Å; F91-L170 HydrophobicContact CD1-CD2 4.23Å; F91-L170 HydrophobicContact CE1-CD2 3.99Å; F91-L218 HydrophobicContact CD1-CD2 3.52Å; F91-L218 HydrophobicContact CD1-CG 4.29Å; F91-L218 HydrophobicContact CD2-CD2 4.41Å; F91-L218 HydrophobicContact CE1-CD1 4.48Å; F91-L218 HydrophobicContact CE1-CD2 3.75Å; F91-L218 HydrophobicContact CE1-CG 4.02Å; F91-L218 HydrophobicContact CG-CD2 3.88Å; F91-L218 HydrophobicContact CZ-CD2 4.29Å; F91-L218 HydrophobicContact CZ-CG 4.23Å; F91-L222 HydrophobicContact CE1-CD1 3.52Å; F91-L222 HydrophobicContact CZ-CD1 3.62Å; F91-V224 HydrophobicContact CE2-CG2 3.68Å; F91-V224 HydrophobicContact CZ-CG2 3.77Å; F91-I226 HydrophobicContact CD2-CD1 3.46Å; F91-I226 VanDerWaalsContact CD2-CD1 3.46Å; F91-I226 HydrophobicContact CD2-CG1 4.02Å; F91-I226 HydrophobicContact CE2-CD1 3.51Å; F91-I226 HydrophobicContact CE2-CG1 3.91Å; F91-I252 HydrophobicContact CD2-CD1 3.88Å; F91-I252 HydrophobicContact CE2-CD1 3.57Å; F91-I252 HydrophobicContact CZ-CD1 4.45Å |
| 92 | G | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y88 L96 F157 | Y88-G92 PolarHBondContact O-N 3.45Å; G92-L96 WeakPolarHBondContact O-CB 3.38Å; G92-L96 WeakPolarHBondContact O-CG 3.36Å; G92-L96 PolarHBondContact O-N 3.4Å; G92-F157 VanDerWaalsContact C-CZ 3.41Å |
| 93 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -52.4 | 178.7 | -177 | -87.2 | 0 | 0 | 0 | 111.6 | V43 R78 R89 F91 H95 L96 E97 L150 L153 L154 F157 I263 | V43-F93 HydrophobicContact CG1-CD1 4.26Å; V43-F93 HydrophobicContact CG1-CD2 4.12Å; V43-F93 HydrophobicContact CG1-CE2 4.4Å; V43-F93 HydrophobicContact CG1-CG 4.05Å; R78-F93 VanDerWaalsContact CD-CE1 3.42Å; R78-F93 VanDerWaalsContact NE-CE1 3.27Å; R89-F93 WeakPolarHBondContact O-CB 3.29Å; R89-F93 PolarHBondContact O-N 2.87Å; R89-F93 VanDerWaalsContact O-N 3.11Å; F91-F93 PolarHBondContact O-N 3.02Å; F93-H95 VanDerWaalsContact C-N 3.28Å; F93-H95 PolarHBondContact O-N 3.05Å; F93-L96 PolarHBondContact O-N 3.06Å; F93-E97 HydrophobicContact CD1-CB 4.46Å; F93-E97 HydrophobicContact CE1-CB 4.21Å; F93-E97 HydrophobicContact CE1-CG 4.38Å; F93-E97 VanDerWaalsContact CE1-OE2 3.31Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E97 VanDerWaalsContact O-CB 3.24Å; F93-E97 WeakPolarHBondContact O-CB 3.46Å; F93-E97 PolarHBondContact O-N 3.05Å; F93-L150 HydrophobicContact CZ-CD1 3.93Å; F93-L153 HydrophobicContact CD2-CG 4.28Å; F93-L153 HydrophobicContact CE2-CD2 4.26Å; F93-L153 HydrophobicContact CE2-CG 3.98Å; F93-L154 HydrophobicContact CE2-CB 4.08Å; F93-L154 HydrophobicContact CE2-CD1 3.8Å; F93-L154 HydrophobicContact CZ-CB 4.44Å; F93-L154 HydrophobicContact CZ-CD1 4.03Å; F93-F157 HydrophobicContact CB-CD1 4.03Å; F93-F157 HydrophobicContact CB-CD2 4.34Å; F93-F157 HydrophobicContact CB-CE1 3.98Å; F93-F157 HydrophobicContact CB-CE2 4.26Å; F93-F157 HydrophobicContact CB-CG 4.21Å; F93-F157 HydrophobicContact CB-CZ 4.1Å; F93-F157 HydrophobicContact CD2-CB 4.01Å; F93-F157 HydrophobicContact CD2-CD1 4.43Å; F93-F157 AromaticContact CD2-CD2 3.67Å; F93-F157 HydrophobicContact CD2-CD2 3.67Å; F93-F157 HydrophobicContact CD2-CE2 4.2Å; F93-F157 AromaticContact CD2-CG 3.78Å; F93-F157 HydrophobicContact CD2-CG 3.78Å; F93-F157 HydrophobicContact CG-CD2 4.49Å; F93-F157 HydrophobicContact CG-CG 4.49Å; F93-F157 VanDerWaalsContact N-CZ 3.32Å; F93-I263 HydrophobicContact CB-CD1 4.22Å; F93-I263 HydrophobicContact CD1-CD1 3.66Å; F93-I263 HydrophobicContact CG-CD1 4.33Å |
| 94 | A | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A90 F91 S98 I252 I263 | A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 3.05Å; F91-A94 PolarHBondContact O-N 3.42Å; A94-S98 WeakPolarHBondContact O-CB 3.33Å; A94-S98 PolarHBondContact O-N 3.38Å; A94-I252 HydrophobicContact CB-CG2 3.87Å; A94-I263 HydrophobicContact CB-CD1 4.02Å; A94-I263 HydrophobicContact CB-CG1 4.09Å; A94-I263 HydrophobicContact CB-CG2 3.68Å |
| 95 | H | 98.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67 | -52.6 | 177.7 | -168.9 | 33.5 | 0 | 0 | 0 | 111.4 | F91 F93 E97 S98 L99 F109 V224 I252 | F91-H95 HydrophobicContact CZ-CB 4.49Å; F91-H95 VanDerWaalsContact O-CB 3.25Å; F91-H95 WeakPolarHBondContact O-CB 3.34Å; F91-H95 PolarHBondContact O-N 3.25Å; F93-H95 VanDerWaalsContact C-N 3.28Å; F93-H95 PolarHBondContact O-N 3.05Å; H95-E97 VanDerWaalsContact C-N 3.33Å; H95-E97 PolarHBondContact O-N 3.09Å; H95-S98 WeakPolarHBondContact O-CB 3.37Å; H95-S98 PolarHBondContact O-N 3.49Å; H95-S98 VanDerWaalsContact O-N 3.09Å; H95-S98 PolarHBondContact O-OG 3.33Å; H95-L99 WeakPolarHBondContact O-CG 3.25Å; H95-L99 PolarHBondContact O-N 2.85Å; H95-F109 AromaticContact CD2-CD2 3.78Å; H95-F109 AromaticContact CD2-CE2 3.36Å; H95-F109 WeakPolarHBondContact CD2-CE2 3.35Å; H95-F109 AromaticContact CD2-CZ 3.58Å; H95-F109 AromaticContact NE2-CD2 3.24Å; H95-F109 WeakPolarHBondContact NE2-CD2 3.47Å; H95-F109 AromaticContact NE2-CE2 3.34Å; H95-F109 VanDerWaalsContact NE2-CE2 3.34Å; H95-F109 WeakPolarHBondContact NE2-CE2 3.49Å; H95-F109 AromaticContact NE2-CG 3.8Å; H95-F109 AromaticContact NE2-CZ 3.96Å; H95-V224 VanDerWaalsContact NE2-CG1 3.29Å; H95-V224 WeakPolarHBondContact NE2-CG1 3.36Å; H95-I252 HydrophobicContact CB-CD1 3.6Å; H95-I252 HydrophobicContact CB-CG1 4.13Å |
| 96 | L | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | -180 | -71.6 | 168.4 | 0 | 0 | 0 | 112.2 | G92 F93 S98 L99 L100 F109 L140 I141 L153 F157 | G92-L96 WeakPolarHBondContact O-CB 3.38Å; G92-L96 WeakPolarHBondContact O-CG 3.36Å; G92-L96 PolarHBondContact O-N 3.4Å; F93-L96 PolarHBondContact O-N 3.06Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 3.19Å; L96-L100 PolarHBondContact O-N 3.3Å; L96-F109 HydrophobicContact CD2-CD1 4.4Å; L96-F109 HydrophobicContact CD2-CE1 3.88Å; L96-L140 HydrophobicContact CD1-CD1 4.24Å; L96-L140 HydrophobicContact CD1-CD2 3.33Å; L96-L140 HydrophobicContact CD1-CG 3.54Å; L96-I141 HydrophobicContact CD2-CG1 4.08Å; L96-L153 HydrophobicContact CB-CD1 4.33Å; L96-L153 HydrophobicContact CB-CD2 4.22Å; L96-L153 HydrophobicContact CD1-CD1 4.44Å; L96-F157 HydrophobicContact CD1-CE2 3.93Å; L96-F157 HydrophobicContact CD1-CZ 4.11Å |
| 97 | E | 98.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 12% | 0.121 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 172.6 | -178.1 | 178.4 | -137.8 | 0 | 0 | 111.1 | R78 F93 H95 L99 L100 L150 L153 Y265 | R78-E97 IonicContact NH2-OE1 3.16Å; R78-E97 PolarHBondContact NH2-OE1 3.14Å; F93-E97 HydrophobicContact CD1-CB 4.46Å; F93-E97 HydrophobicContact CE1-CB 4.21Å; F93-E97 HydrophobicContact CE1-CG 4.38Å; F93-E97 VanDerWaalsContact CE1-OE2 3.31Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E97 VanDerWaalsContact O-CB 3.24Å; F93-E97 WeakPolarHBondContact O-CB 3.46Å; F93-E97 PolarHBondContact O-N 3.05Å; H95-E97 VanDerWaalsContact C-N 3.33Å; H95-E97 PolarHBondContact O-N 3.09Å; E97-L99 PolarHBondContact O-N 3.43Å; E97-L100 PolarHBondContact O-N 3.5Å; E97-L150 HydrophobicContact CB-CD1 4.45Å; E97-L150 HydrophobicContact CG-CD1 3.75Å; E97-L150 WeakPolarHBondContact OE1-CD1 3.34Å; E97-L150 WeakPolarHBondContact OE1-CD2 3.48Å; E97-L153 HydrophobicContact CB-CD2 4.16Å; E97-Y265 WeakPolarHBondContact OE2-CE1 3.45Å; E97-Y265 VanDerWaalsContact OE2-CZ 3.26Å; E97-Y265 PolarHBondContact OE2-OH 3.2Å |
| 98 | S | 96.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 38.4 Ų | 38.4 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -15.5 | 177.7 | 80.1 | 0 | 0 | 0 | 0 | 114.5 | A94 H95 L96 | A94-S98 WeakPolarHBondContact O-CB 3.33Å; A94-S98 PolarHBondContact O-N 3.38Å; H95-S98 WeakPolarHBondContact O-CB 3.37Å; H95-S98 PolarHBondContact O-N 3.49Å; H95-S98 VanDerWaalsContact O-N 3.09Å; H95-S98 PolarHBondContact O-OG 3.33Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3.45Å |
| 99 | L | 96.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -98.7 | -10.8 | -178.7 | -64.4 | 176.7 | 0 | 0 | 0 | 113.2 | H95 L96 E97 D101 D102 E105 L106 F109 | H95-L99 WeakPolarHBondContact O-CG 3.25Å; H95-L99 PolarHBondContact O-N 2.85Å; L96-L99 PolarHBondContact O-N 3.19Å; E97-L99 PolarHBondContact O-N 3.43Å; L99-D101 PolarHBondContact O-N 3.46Å; L99-D101 VanDerWaalsContact O-N 3.17Å; L99-D102 CarbonylContact O-C 3.28Å; L99-D102 PolarHBondContact O-N 2.85Å; L99-E105 HydrophobicContact CD2-CB 3.69Å; L99-E105 HydrophobicContact CD2-CG 3.66Å; L99-L106 HydrophobicContact CB-CB 4.27Å; L99-L106 HydrophobicContact CB-CD1 4.11Å; L99-L106 HydrophobicContact CD1-CD1 4.09Å; L99-F109 HydrophobicContact CD1-CB 3.9Å; L99-F109 HydrophobicContact CD1-CD1 3.79Å; L99-F109 HydrophobicContact CD1-CE1 4.48Å; L99-F109 HydrophobicContact CD1-CG 3.86Å |
| 100 | L | 95.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.7 | -177.2 | -69.8 | 178.2 | 0 | 0 | 0 | 113.2 | L96 E97 C144 H147 P148 L150 L153 | L96-L100 PolarHBondContact O-N 3.3Å; E97-L100 PolarHBondContact O-N 3.5Å; L100-C144 HydrophobicContact CD2-CB 4.06Å; L100-H147 PolarHBondContact O-CE1 3.27Å; L100-H147 PolarHBondContact O-ND1 3.04Å; L100-P148 HydrophobicContact CD2-CG 3.96Å; L100-L150 HydrophobicContact CD1-CD1 4.14Å; L100-L153 HydrophobicContact CD1-CD2 4.12Å |
| 101 | D | 92.6 | Very high | 97.2 | Very high | 160 Ų | 160 | 44 Ų | 44 | 86% | 0.856 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 2.2 | 179.9 | -63.1 | -43.4 | 0 | 0 | 0 | 113.3 | L99 | L99-D101 PolarHBondContact O-N 3.46Å; L99-D101 VanDerWaalsContact O-N 3.17Å |
| 102 | D | 95.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -125.7 | 76.8 | -178.5 | -165.1 | -22.5 | 0 | 0 | 0 | 111.7 | L99 K104 E105 L106 R251 | L99-D102 CarbonylContact O-C 3.28Å; L99-D102 PolarHBondContact O-N 2.85Å; D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.12Å; D102-K104 PolarHBondContact OD1-N 3.45Å; D102-E105 HydrophobicContact CB-CB 4.17Å; D102-E105 PolarHBondContact O-N 3.04Å; D102-E105 VanDerWaalsContact O-N 3.16Å; D102-E105 PolarHBondContact OD1-N 3.03Å; D102-E105 VanDerWaalsContact OD1-N 3.08Å; D102-L106 WeakPolarHBondContact O-CB 3.48Å; D102-L106 PolarHBondContact O-N 2.92Å; D102-R251 IonicContact OD2-CZ 2.74Å; D102-R251 VanDerWaalsContact OD2-CZ 3.23Å; D102-R251 IonicContact OD2-NH1 3.23Å; D102-R251 PolarHBondContact OD2-NH1 2.93Å; D102-R251 IonicContact OD2-NH2 2.75Å; D102-R251 PolarHBondContact OD2-NH2 2.88Å | ||
| 103 | S | 95.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.1 | -30.5 | -178.5 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | Q107 H147 | S103-Q107 VanDerWaalsContact O-CG 3.3Å; S103-Q107 WeakPolarHBondContact O-CG 3.38Å; S103-Q107 PolarHBondContact O-N 3.24Å; S103-H147 PolarHBondContact OG-CE1 3.08Å |
| 104 | K | 96.5 | Very high | 97.1 | Very high | 170 Ų | 170 | 48.4 Ų | 48.4 | 74% | 0.739 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.8 | -46 | -179.9 | -70.4 | -178.8 | -177.2 | 174.6 | 0 | 110.7 | D102 L106 Q107 K108 | D102-K104 PolarHBondContact O-N 3.31Å; D102-K104 VanDerWaalsContact O-N 3.12Å; D102-K104 PolarHBondContact OD1-N 3.45Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-Q107 PolarHBondContact O-N 3.41Å; K104-K108 PolarHBondContact O-N 2.98Å |
| 105 | E | 96.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.8 | -36.2 | 178 | -158 | 62.1 | -158.6 | 0 | 0 | 111.2 | L99 D102 Q107 K108 F109 | L99-E105 HydrophobicContact CD2-CB 3.69Å; L99-E105 HydrophobicContact CD2-CG 3.66Å; D102-E105 HydrophobicContact CB-CB 4.17Å; D102-E105 PolarHBondContact O-N 3.04Å; D102-E105 VanDerWaalsContact O-N 3.16Å; D102-E105 PolarHBondContact OD1-N 3.03Å; D102-E105 VanDerWaalsContact OD1-N 3.08Å; E105-Q107 VanDerWaalsContact C-N 3.35Å; E105-Q107 PolarHBondContact O-N 3.18Å; E105-K108 PolarHBondContact O-N 3.45Å; E105-K108 WeakPolarHBondContact OE2-CD 3.46Å; E105-K108 IonicContact OE2-NZ 3.82Å; E105-K108 PolarHBondContact OE2-NZ 3.08Å; E105-F109 WeakPolarHBondContact O-CB 3.37Å; E105-F109 PolarHBondContact O-N 3.45Å |
| 106 | L | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 172.2 | -177.2 | 60.5 | 0 | 0 | 0 | 112.3 | L99 D102 K104 K108 F109 K110 I141 C144 E145 | L99-L106 HydrophobicContact CB-CB 4.27Å; L99-L106 HydrophobicContact CB-CD1 4.11Å; L99-L106 HydrophobicContact CD1-CD1 4.09Å; D102-L106 WeakPolarHBondContact O-CB 3.48Å; D102-L106 PolarHBondContact O-N 2.92Å; K104-L106 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 2.86Å; L106-F109 PolarHBondContact O-N 2.85Å; L106-K110 WeakPolarHBondContact O-CB 3.34Å; L106-K110 PolarHBondContact O-N 2.75Å; L106-I141 HydrophobicContact CD1-CG2 4.07Å; L106-C144 HydrophobicContact CD1-CB 4.16Å; L106-C144 HydrophobicContact CD2-CB 4.08Å; L106-E145 HydrophobicContact CD2-CB 4.37Å; L106-E145 HydrophobicContact CD2-CG 3.79Å; L106-E145 HydrophobicContact CG-CG 4.29Å |
| 107 | Q | 97.9 | Very high | 97.1 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 176.7 | -72.5 | -55 | -55.6 | 0 | 0 | 112.6 | S103 K104 E105 K110 A111 E145 | S103-Q107 VanDerWaalsContact O-CG 3.3Å; S103-Q107 WeakPolarHBondContact O-CG 3.38Å; S103-Q107 PolarHBondContact O-N 3.24Å; K104-Q107 PolarHBondContact O-N 3.41Å; E105-Q107 VanDerWaalsContact C-N 3.35Å; E105-Q107 PolarHBondContact O-N 3.18Å; Q107-K110 PolarHBondContact O-N 2.81Å; Q107-A111 PolarHBondContact O-N 3.02Å; Q107-E145 PolarHBondContact NE2-OE1 3.07Å |
| 108 | K | 97.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.6 | -66.6 | 178.9 | -163.8 | 159.2 | 0 | 110.8 | K104 E105 L106 K110 A111 V112 | K104-K108 PolarHBondContact O-N 2.98Å; E105-K108 PolarHBondContact O-N 3.45Å; E105-K108 WeakPolarHBondContact OE2-CD 3.46Å; E105-K108 IonicContact OE2-NZ 3.82Å; E105-K108 PolarHBondContact OE2-NZ 3.08Å; L106-K108 PolarHBondContact O-N 2.86Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-K110 PolarHBondContact O-N 3.08Å; K108-A111 PolarHBondContact O-N 2.95Å; K108-V112 WeakPolarHBondContact O-CG2 3.38Å; K108-V112 PolarHBondContact O-N 3.4Å |
| 109 | F | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.044 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177.7 | -178.3 | -111.6 | 0 | 0 | 0 | 111.5 | H95 L96 L99 E105 L106 A111 V112 A113 F137 I141 L222 | H95-F109 AromaticContact CD2-CD2 3.78Å; H95-F109 AromaticContact CD2-CE2 3.36Å; H95-F109 WeakPolarHBondContact CD2-CE2 3.35Å; H95-F109 AromaticContact CD2-CZ 3.58Å; H95-F109 AromaticContact NE2-CD2 3.24Å; H95-F109 WeakPolarHBondContact NE2-CD2 3.47Å; H95-F109 AromaticContact NE2-CE2 3.34Å; H95-F109 VanDerWaalsContact NE2-CE2 3.34Å; H95-F109 WeakPolarHBondContact NE2-CE2 3.49Å; H95-F109 AromaticContact NE2-CG 3.8Å; H95-F109 AromaticContact NE2-CZ 3.96Å; L96-F109 HydrophobicContact CD2-CD1 4.4Å; L96-F109 HydrophobicContact CD2-CE1 3.88Å; L99-F109 HydrophobicContact CD1-CB 3.9Å; L99-F109 HydrophobicContact CD1-CD1 3.79Å; L99-F109 HydrophobicContact CD1-CE1 4.48Å; L99-F109 HydrophobicContact CD1-CG 3.86Å; E105-F109 WeakPolarHBondContact O-CB 3.37Å; E105-F109 PolarHBondContact O-N 3.45Å; L106-F109 PolarHBondContact O-N 2.85Å; F109-A111 VanDerWaalsContact C-N 3.31Å; F109-A111 PolarHBondContact O-N 2.89Å; F109-V112 PolarHBondContact O-N 3.33Å; F109-A113 WeakPolarHBondContact O-CB 3.23Å; F109-A113 PolarHBondContact O-N 3.43Å; F109-F137 HydrophobicContact CE1-CE1 4.48Å; F109-F137 HydrophobicContact CE1-CZ 4.07Å; F109-F137 HydrophobicContact CZ-CE1 4.2Å; F109-F137 AromaticContact CZ-CZ 3.64Å; F109-F137 HydrophobicContact CZ-CZ 3.64Å; F109-I141 HydrophobicContact CD1-CD1 3.94Å; F109-I141 HydrophobicContact CD1-CG1 4.15Å; F109-I141 HydrophobicContact CE1-CD1 3.62Å; F109-I141 HydrophobicContact CE1-CG1 3.84Å; F109-L222 HydrophobicContact CE2-CB 4.3Å; F109-L222 HydrophobicContact CE2-CD1 4.17Å; F109-L222 HydrophobicContact CE2-CD2 3.94Å; F109-L222 HydrophobicContact CE2-CG 4.37Å |
| 110 | K | 98.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 174.5 | -174.1 | 173.8 | -178.3 | 172.2 | 0 | 112.2 | L106 Q107 K108 A113 A114 M138 I141 E142 E145 | L106-K110 WeakPolarHBondContact O-CB 3.34Å; L106-K110 PolarHBondContact O-N 2.75Å; Q107-K110 PolarHBondContact O-N 2.81Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-K110 PolarHBondContact O-N 3.08Å; K110-A113 PolarHBondContact O-N 3.2Å; K110-A114 VanDerWaalsContact O-CB 3.26Å; K110-A114 WeakPolarHBondContact O-CB 3.37Å; K110-A114 PolarHBondContact O-N 2.86Å; K110-M138 HydrophobicContact CG-CE 3.82Å; K110-I141 HydrophobicContact CB-CG2 3.75Å; K110-I141 HydrophobicContact CD-CG2 4.13Å; K110-I141 HydrophobicContact CG-CG2 3.85Å; K110-E142 IonicContact NZ-OE1 3.68Å; K110-E145 VanDerWaalsContact CD-OE1 3.23Å; K110-E145 WeakPolarHBondContact CD-OE1 3.48Å; K110-E145 VanDerWaalsContact NZ-CD 3.28Å; K110-E145 IonicContact NZ-OE1 2.79Å; K110-E145 PolarHBondContact NZ-OE1 2.82Å; K110-E145 VanDerWaalsContact NZ-OE1 3.17Å; K110-E145 IonicContact NZ-OE2 2.77Å; K110-E145 PolarHBondContact NZ-OE2 2.94Å |
| 111 | A | 98.3 | Very high | 97.3 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q107 K108 F109 K115 | Q107-A111 PolarHBondContact O-N 3.02Å; K108-A111 PolarHBondContact O-N 2.95Å; F109-A111 VanDerWaalsContact C-N 3.31Å; F109-A111 PolarHBondContact O-N 2.89Å; A111-K115 WeakPolarHBondContact O-CB 3.35Å; A111-K115 PolarHBondContact O-N 2.84Å; A111-K115 VanDerWaalsContact O-N 3.11Å |
| 112 | V | 98.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 30% | 0.297 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | K108 F109 A114 K115 S116 L222 | K108-V112 WeakPolarHBondContact O-CG2 3.38Å; K108-V112 PolarHBondContact O-N 3.4Å; F109-V112 PolarHBondContact O-N 3.33Å; V112-A114 PolarHBondContact O-N 3.34Å; V112-K115 PolarHBondContact O-N 3.19Å; V112-S116 WeakPolarHBondContact O-CB 3.48Å; V112-S116 PolarHBondContact O-N 2.96Å; V112-L222 HydrophobicContact CG1-CD2 4.31Å |
| 113 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | F109 K110 K115 S116 H134 F137 M138 I141 | F109-A113 WeakPolarHBondContact O-CB 3.23Å; F109-A113 PolarHBondContact O-N 3.43Å; K110-A113 PolarHBondContact O-N 3.2Å; A113-K115 PolarHBondContact O-N 2.92Å; A113-S116 PolarHBondContact O-N 3.02Å; A113-S116 PolarHBondContact O-OG 3.19Å; A113-H134 PolarHBondContact O-NE2 3.41Å; A113-F137 HydrophobicContact CB-CD1 4.1Å; A113-F137 HydrophobicContact CB-CE1 3.72Å; A113-M138 HydrophobicContact CB-SD 3.89Å; A113-I141 HydrophobicContact CB-CD1 3.51Å |
| 114 | A | 98 | Very high | 97.3 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K110 V112 S116 M138 | K110-A114 VanDerWaalsContact O-CB 3.26Å; K110-A114 WeakPolarHBondContact O-CB 3.37Å; K110-A114 PolarHBondContact O-N 2.86Å; V112-A114 PolarHBondContact O-N 3.34Å; A114-S116 VanDerWaalsContact C-N 3.31Å; A114-S116 PolarHBondContact O-N 3.25Å; A114-M138 HydrophobicContact CB-CE 4.03Å; A114-M138 HydrophobicContact CB-SD 4.41Å |
| 115 | K | 98.1 | Very high | 97.3 | Very high | 129 Ų | 129 | 52 Ų | 52 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.2 | -33.9 | 177.3 | -173.5 | -173.1 | 170.1 | -160.7 | 0 | 112 | A111 V112 A113 K117 L118 D119 | A111-K115 WeakPolarHBondContact O-CB 3.35Å; A111-K115 PolarHBondContact O-N 2.84Å; A111-K115 VanDerWaalsContact O-N 3.11Å; V112-K115 PolarHBondContact O-N 3.19Å; A113-K115 PolarHBondContact O-N 2.92Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 3.26Å; K115-K117 VanDerWaalsContact O-N 3.17Å; K115-L118 PolarHBondContact O-N 2.97Å; K115-D119 WeakPolarHBondContact CE-OD1 3.18Å; K115-D119 WeakPolarHBondContact CE-OD2 3.47Å; K115-D119 IonicContact NZ-OD2 3.37Å; K115-D119 PolarHBondContact O-N 3.42Å |
| 116 | S | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -27.2 | -170.2 | 72 | 0 | 0 | 0 | 0 | 115 | V112 A113 A114 D119 L120 Y169 L173 | V112-S116 WeakPolarHBondContact O-CB 3.48Å; V112-S116 PolarHBondContact O-N 2.96Å; A113-S116 PolarHBondContact O-N 3.02Å; A113-S116 PolarHBondContact O-OG 3.19Å; A114-S116 VanDerWaalsContact C-N 3.31Å; A114-S116 PolarHBondContact O-N 3.25Å; S116-D119 PolarHBondContact O-N 3.35Å; S116-L120 WeakPolarHBondContact O-CG 3.32Å; S116-L120 PolarHBondContact O-N 3.43Å; S116-Y169 PolarHBondContact OG-OH 3.32Å; S116-L173 VanDerWaalsContact CB-CD2 3.44Å; S116-L173 WeakPolarHBondContact OG-CD2 3.08Å |
| 117 | K | 98.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 170.9 | 176.8 | 178.7 | 171.9 | -177.1 | 0 | 111.6 | K115 D119 L120 V121 E127 I130 E131 H134 Y169 | K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 PolarHBondContact O-N 3.26Å; K115-K117 VanDerWaalsContact O-N 3.17Å; K117-D119 VanDerWaalsContact C-N 3.32Å; K117-L120 PolarHBondContact O-N 2.87Å; K117-V121 WeakPolarHBondContact O-CG2 3.48Å; K117-V121 PolarHBondContact O-N 2.99Å; K117-E127 WeakPolarHBondContact CE-OE1 3.46Å; K117-E127 IonicContact NZ-OE1 3.87Å; K117-I130 HydrophobicContact CG-CD1 4.2Å; K117-E131 IonicContact NZ-OE1 3.73Å; K117-E131 PolarHBondContact NZ-OE1 3.39Å; K117-H134 HydrophobicContact CB-CB 4.47Å; K117-H134 HydrophobicContact CD-CB 4.23Å; K117-H134 WeakPolarHBondContact CD-ND1 3.39Å; K117-Y169 PolarHBondContact N-OH 2.88Å |
| 118 | L | 97.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 60.3 Ų | 60.3 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 179.3 | 179.4 | 62.4 | 0 | 0 | 0 | 111.2 | K115 V121 N122 | K115-L118 PolarHBondContact O-N 2.97Å; L118-V121 PolarHBondContact O-N 3.27Å; L118-N122 VanDerWaalsContact O-CG 3.25Å; L118-N122 PolarHBondContact O-N 3.42Å; L118-N122 PolarHBondContact O-ND2 3.32Å; L118-N122 VanDerWaalsContact O-ND2 3.14Å |
| 119 | D | 97 | Very high | 97 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.6 | -67.1 | -19.4 | 0 | 0 | 0 | 110.8 | K115 S116 K117 V121 N122 E123 | K115-D119 WeakPolarHBondContact CE-OD1 3.18Å; K115-D119 WeakPolarHBondContact CE-OD2 3.47Å; K115-D119 IonicContact NZ-OD2 3.37Å; K115-D119 PolarHBondContact O-N 3.42Å; S116-D119 PolarHBondContact O-N 3.35Å; K117-D119 VanDerWaalsContact C-N 3.32Å; D119-V121 PolarHBondContact O-N 3.38Å; D119-N122 WeakPolarHBondContact O-CB 3.42Å; D119-N122 PolarHBondContact O-N 3.04Å; D119-E123 VanDerWaalsContact O-CG 3.31Å; D119-E123 WeakPolarHBondContact O-CG 3.22Å; D119-E123 PolarHBondContact O-N 3.41Å |
| 120 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 173.4 | -71.1 | 172.2 | 0 | 0 | 0 | 112.4 | S116 K117 N122 E123 G124 F125 I130 Y169 L172 L173 | S116-L120 WeakPolarHBondContact O-CG 3.32Å; S116-L120 PolarHBondContact O-N 3.43Å; K117-L120 PolarHBondContact O-N 2.87Å; L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 3.42Å; L120-E123 CarbonylContact O-C 3.51Å; L120-E123 WeakPolarHBondContact O-CB 3.3Å; L120-E123 PolarHBondContact O-N 3.32Å; L120-E123 VanDerWaalsContact O-N 3.08Å; L120-G124 PolarHBondContact O-N 3.17Å; L120-F125 HydrophobicContact CB-CB 4.28Å; L120-F125 HydrophobicContact CB-CD2 4.03Å; L120-F125 HydrophobicContact CB-CG 4.36Å; L120-F125 HydrophobicContact CD2-CD2 3.8Å; L120-F125 HydrophobicContact CD2-CE2 3.76Å; L120-F125 HydrophobicContact CD2-CG 4.47Å; L120-F125 HydrophobicContact CD2-CZ 4.42Å; L120-F125 WeakPolarHBondContact O-CB 3.44Å; L120-F125 VanDerWaalsContact O-CD2 3.29Å; L120-F125 WeakPolarHBondContact O-CD2 3.09Å; L120-F125 PolarHBondContact O-N 3.07Å; L120-F125 VanDerWaalsContact O-N 3.1Å; L120-I130 HydrophobicContact CB-CD1 3.72Å; L120-I130 HydrophobicContact CD1-CD1 4.03Å; L120-Y169 HydrophobicContact CD1-CE2 3.91Å; L120-L172 HydrophobicContact CD1-CB 4.21Å; L120-L172 VanDerWaalsContact CD2-O 3.31Å; L120-L172 WeakPolarHBondContact CD2-O 3.43Å; L120-L173 HydrophobicContact CD1-CD2 3.94Å; L120-L173 HydrophobicContact CG-CD2 4.32Å |
| 121 | V | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 59 Ų | 59 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | K117 L118 D119 E123 G124 E127 I130 | K117-V121 WeakPolarHBondContact O-CG2 3.48Å; K117-V121 PolarHBondContact O-N 2.99Å; L118-V121 PolarHBondContact O-N 3.27Å; D119-V121 PolarHBondContact O-N 3.38Å; V121-E123 VanDerWaalsContact C-N 3.25Å; V121-E123 PolarHBondContact O-N 3.13Å; V121-G124 PolarHBondContact O-N 3.34Å; V121-E127 HydrophobicContact CG2-CB 3.73Å; V121-E127 HydrophobicContact CG2-CG 3.97Å; V121-I130 HydrophobicContact CG2-CD1 4.15Å |
| 122 | N | 95.3 | Very high | 96.9 | Very high | 118 Ų | 118 | 60.5 Ų | 60.5 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67 | -27 | 176.2 | -67.9 | -33.5 | 0 | 0 | 0 | 113 | L118 D119 L120 G124 | L118-N122 VanDerWaalsContact O-CG 3.25Å; L118-N122 PolarHBondContact O-N 3.42Å; L118-N122 PolarHBondContact O-ND2 3.32Å; L118-N122 VanDerWaalsContact O-ND2 3.14Å; D119-N122 WeakPolarHBondContact O-CB 3.42Å; D119-N122 PolarHBondContact O-N 3.04Å; L120-N122 VanDerWaalsContact C-N 3.28Å; L120-N122 PolarHBondContact O-N 3.42Å; N122-G124 PolarHBondContact O-N 3.5Å |
| 123 | E | 93.3 | Very high | 97 | Very high | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3 | 173.6 | -69.7 | 160 | -177 | 0 | 0 | 112.5 | D119 L120 V121 F125 G176 R180 | D119-E123 VanDerWaalsContact O-CG 3.31Å; D119-E123 WeakPolarHBondContact O-CG 3.22Å; D119-E123 PolarHBondContact O-N 3.41Å; L120-E123 CarbonylContact O-C 3.51Å; L120-E123 WeakPolarHBondContact O-CB 3.3Å; L120-E123 PolarHBondContact O-N 3.32Å; L120-E123 VanDerWaalsContact O-N 3.08Å; V121-E123 VanDerWaalsContact C-N 3.25Å; V121-E123 PolarHBondContact O-N 3.13Å; E123-F125 HydrophobicContact CB-CD2 4.23Å; E123-F125 HydrophobicContact CB-CE2 4.37Å; E123-G176 WeakPolarHBondContact OE2-CA 3.49Å; E123-R180 IonicContact OE1-CZ 3.62Å; E123-R180 IonicContact OE1-NE 3.86Å; E123-R180 IonicContact OE1-NH1 3.72Å; E123-R180 PolarHBondContact OE1-NH1 3.44Å |
| 124 | G | 94.5 | Very high | 97 | Very high | 63 Ų | 63 | 61 Ų | 61 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | 9.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L120 V121 N122 | L120-G124 PolarHBondContact O-N 3.17Å; V121-G124 PolarHBondContact O-N 3.34Å; N122-G124 PolarHBondContact O-N 3.5Å |
| 125 | F | 96.8 | Very high | 97 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -71.3 | 139 | 169.9 | -68.6 | -91.4 | 0 | 0 | 0 | 110.6 | L120 E123 E127 I130 L172 | L120-F125 HydrophobicContact CB-CB 4.28Å; L120-F125 HydrophobicContact CB-CD2 4.03Å; L120-F125 HydrophobicContact CB-CG 4.36Å; L120-F125 HydrophobicContact CD2-CD2 3.8Å; L120-F125 HydrophobicContact CD2-CE2 3.76Å; L120-F125 HydrophobicContact CD2-CG 4.47Å; L120-F125 HydrophobicContact CD2-CZ 4.42Å; L120-F125 WeakPolarHBondContact O-CB 3.44Å; L120-F125 VanDerWaalsContact O-CD2 3.29Å; L120-F125 WeakPolarHBondContact O-CD2 3.09Å; L120-F125 PolarHBondContact O-N 3.07Å; L120-F125 VanDerWaalsContact O-N 3.1Å; E123-F125 HydrophobicContact CB-CD2 4.23Å; E123-F125 HydrophobicContact CB-CE2 4.37Å; F125-E127 PolarHBondContact O-N 3.13Å; F125-I130 HydrophobicContact CB-CD1 4.34Å; F125-I130 HydrophobicContact CB-CG2 4.18Å; F125-L172 HydrophobicContact CD1-CD2 3.98Å; F125-L172 HydrophobicContact CE1-CD2 3.62Å | ||
| 126 | T | 97.1 | Very high | 97 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | trans | -72.8 | 120.4 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | F128 T129 I130 | T126-F128 HydrophobicContact CG2-CD1 3.37Å; T126-F128 HydrophobicContact CG2-CE1 3.12Å; T126-F128 HydrophobicContact CG2-CG 4.28Å; T126-F128 HydrophobicContact CG2-CZ 3.86Å; T126-F128 PolarHBondContact O-N 2.98Å; T126-T129 HydrophobicContact CG2-CG2 4.12Å; T126-T129 PolarHBondContact O-N 2.83Å; T126-T129 VanDerWaalsContact O-N 3.1Å; T126-T129 PolarHBondContact O-OG1 3.26Å; T126-I130 PolarHBondContact O-N 3.37Å | ||
| 127 | E | 96.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.5 | -49.8 | -170.9 | -175.8 | 172.8 | -161.7 | 0 | 0 | 113.6 | K117 V121 F125 T129 I130 E131 | K117-E127 WeakPolarHBondContact CE-OE1 3.46Å; K117-E127 IonicContact NZ-OE1 3.87Å; V121-E127 HydrophobicContact CG2-CB 3.73Å; V121-E127 HydrophobicContact CG2-CG 3.97Å; F125-E127 PolarHBondContact O-N 3.13Å; E127-T129 PolarHBondContact O-N 2.85Å; E127-T129 VanDerWaalsContact O-N 3.17Å; E127-I130 WeakPolarHBondContact O-CG1 3.39Å; E127-I130 PolarHBondContact O-N 3.11Å; E127-I130 VanDerWaalsContact O-N 3.14Å; E127-E131 PolarHBondContact O-N 3.26Å; E127-E131 VanDerWaalsContact O-N 3.08Å |
| 128 | F | 95.1 | Very high | 97.1 | Very high | 154 Ų | 154 | 56 Ų | 56 | 68% | 0.675 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.7 | -20.7 | -176.8 | 76.1 | -97.8 | 0 | 0 | 0 | 113.2 | T126 | T126-F128 HydrophobicContact CG2-CD1 3.37Å; T126-F128 HydrophobicContact CG2-CE1 3.12Å; T126-F128 HydrophobicContact CG2-CG 4.28Å; T126-F128 HydrophobicContact CG2-CZ 3.86Å; T126-F128 PolarHBondContact O-N 2.98Å |
| 129 | T | 95.5 | Very high | 97.1 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.9 | -21.2 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | T126 E127 F133 | T126-T129 HydrophobicContact CG2-CG2 4.12Å; T126-T129 PolarHBondContact O-N 2.83Å; T126-T129 VanDerWaalsContact O-N 3.1Å; T126-T129 PolarHBondContact O-OG1 3.26Å; E127-T129 PolarHBondContact O-N 2.85Å; E127-T129 VanDerWaalsContact O-N 3.17Å; T129-F133 WeakPolarHBondContact O-CE2 3.3Å |
| 130 | I | 97.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -103.4 | -12.2 | -179 | 69.8 | 169.2 | 0 | 0 | 0 | 112.9 | K117 L120 V121 F125 T126 E127 D132 F133 H134 L172 | K117-I130 HydrophobicContact CG-CD1 4.2Å; L120-I130 HydrophobicContact CB-CD1 3.72Å; L120-I130 HydrophobicContact CD1-CD1 4.03Å; V121-I130 HydrophobicContact CG2-CD1 4.15Å; F125-I130 HydrophobicContact CB-CD1 4.34Å; F125-I130 HydrophobicContact CB-CG2 4.18Å; T126-I130 PolarHBondContact O-N 3.37Å; E127-I130 WeakPolarHBondContact O-CG1 3.39Å; E127-I130 PolarHBondContact O-N 3.11Å; E127-I130 VanDerWaalsContact O-N 3.14Å; I130-D132 PolarHBondContact O-N 3.16Å; I130-F133 PolarHBondContact O-N 3.23Å; I130-H134 PolarHBondContact O-N 3.13Å; I130-L172 HydrophobicContact CB-CD1 4.19Å; I130-L172 HydrophobicContact CG2-CD1 3.71Å |
| 131 | E | 97.8 | Very high | 97.2 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | -173.9 | 177.1 | 159.4 | -108.2 | 0 | 0 | 112.8 | K117 E127 F133 H134 N135 | K117-E131 IonicContact NZ-OE1 3.73Å; K117-E131 PolarHBondContact NZ-OE1 3.39Å; E127-E131 PolarHBondContact O-N 3.26Å; E127-E131 VanDerWaalsContact O-N 3.08Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 2.86Å; E131-H134 PolarHBondContact O-N 3.26Å; E131-N135 WeakPolarHBondContact CG-ND2 3.16Å; E131-N135 WeakPolarHBondContact O-CB 3.24Å; E131-N135 PolarHBondContact O-N 2.8Å; E131-N135 PolarHBondContact O-ND2 3.15Å |
| 132 | D | 97.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | -179 | -68.8 | -24.5 | 0 | 0 | 0 | 111.9 | I130 N135 T136 Y165 | I130-D132 PolarHBondContact O-N 3.16Å; D132-N135 PolarHBondContact O-N 3.08Å; D132-T136 PolarHBondContact O-N 3.04Å; D132-T136 PolarHBondContact O-OG1 2.84Å; D132-T136 VanDerWaalsContact O-OG1 3.11Å; D132-Y165 HydrophobicContact CB-CE2 3.99Å |
| 133 | F | 98.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.9 | -56.4 | -57.7 | 0 | 0 | 0 | 111.9 | T129 I130 E131 F137 Y165 V168 Y169 L172 | T129-F133 WeakPolarHBondContact O-CE2 3.3Å; I130-F133 PolarHBondContact O-N 3.23Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 2.86Å; F133-F137 WeakPolarHBondContact O-CB 3.49Å; F133-F137 PolarHBondContact O-N 3.46Å; F133-F137 VanDerWaalsContact O-N 3.07Å; F133-Y165 HydrophobicContact CD1-CD1 4.17Å; F133-Y165 AromaticContact CD1-CD2 3.51Å; F133-Y165 HydrophobicContact CD1-CD2 3.51Å; F133-Y165 AromaticContact CD1-CE2 3.97Å; F133-Y165 HydrophobicContact CD1-CE2 3.97Å; F133-Y165 AromaticContact CD1-CG 3.62Å; F133-Y165 HydrophobicContact CD1-CG 3.62Å; F133-Y165 AromaticContact CE1-CD1 3.91Å; F133-Y165 HydrophobicContact CE1-CD1 3.91Å; F133-Y165 AromaticContact CE1-CD2 3.86Å; F133-Y165 HydrophobicContact CE1-CD2 3.86Å; F133-Y165 AromaticContact CE1-CE1 3.99Å; F133-Y165 HydrophobicContact CE1-CE1 3.99Å; F133-Y165 AromaticContact CE1-CE2 3.93Å; F133-Y165 HydrophobicContact CE1-CE2 3.93Å; F133-Y165 AromaticContact CE1-CG 3.84Å; F133-Y165 HydrophobicContact CE1-CG 3.84Å; F133-Y165 AromaticContact CE1-CZ 4Å; F133-V168 HydrophobicContact CD1-CB 3.87Å; F133-V168 HydrophobicContact CD1-CG1 3.82Å; F133-V168 HydrophobicContact CD2-CG1 3.66Å; F133-V168 HydrophobicContact CE1-CB 3.94Å; F133-V168 HydrophobicContact CE1-CG1 3.8Å; F133-V168 HydrophobicContact CE1-CG2 4.15Å; F133-V168 HydrophobicContact CE2-CG1 3.64Å; F133-V168 HydrophobicContact CG-CB 4.21Å; F133-V168 HydrophobicContact CG-CG1 3.77Å; F133-V168 HydrophobicContact CZ-CB 4.35Å; F133-V168 HydrophobicContact CZ-CG1 3.72Å; F133-Y169 HydrophobicContact CB-CD2 3.9Å; F133-Y169 HydrophobicContact CB-CG 4.34Å; F133-L172 HydrophobicContact CD2-CD1 4.26Å |
| 134 | H | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174 | 176.9 | -117.1 | 0 | 0 | 0 | 111.4 | A113 K117 I130 E131 T136 F137 M138 Y169 | A113-H134 PolarHBondContact O-NE2 3.41Å; K117-H134 HydrophobicContact CB-CB 4.47Å; K117-H134 HydrophobicContact CD-CB 4.23Å; K117-H134 WeakPolarHBondContact CD-ND1 3.39Å; I130-H134 PolarHBondContact O-N 3.13Å; E131-H134 PolarHBondContact O-N 3.26Å; H134-T136 PolarHBondContact O-N 2.79Å; H134-F137 WeakPolarHBondContact O-CB 3.36Å; H134-F137 PolarHBondContact O-N 2.71Å; H134-F137 VanDerWaalsContact O-N 3.15Å; H134-M138 WeakPolarHBondContact NE2-CG 3.44Å; H134-M138 WeakPolarHBondContact O-CG 3.31Å; H134-M138 PolarHBondContact O-N 3.35Å; H134-Y169 HydrophobicContact CB-CD2 4.19Å; H134-Y169 HydrophobicContact CB-CE2 3.6Å; H134-Y169 AromaticContact CD2-CE1 3.88Å; H134-Y169 AromaticContact CD2-CZ 3.45Å; H134-Y169 VanDerWaalsContact CD2-CZ 3.45Å; H134-Y169 PolarHBondContact CD2-OH 3.03Å |
| 135 | N | 98.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 179.8 | -69.6 | -21.5 | 0 | 0 | 0 | 111.1 | E131 D132 F137 M138 D139 | E131-N135 WeakPolarHBondContact CG-ND2 3.16Å; E131-N135 WeakPolarHBondContact O-CB 3.24Å; E131-N135 PolarHBondContact O-N 2.8Å; E131-N135 PolarHBondContact O-ND2 3.15Å; D132-N135 PolarHBondContact O-N 3.08Å; N135-F137 VanDerWaalsContact C-N 3.29Å; N135-F137 PolarHBondContact O-N 3.16Å; N135-M138 PolarHBondContact O-N 3.2Å; N135-M138 VanDerWaalsContact O-N 3.17Å; N135-D139 WeakPolarHBondContact O-CB 3.37Å; N135-D139 VanDerWaalsContact O-CG 3.31Å; N135-D139 PolarHBondContact O-N 3.32Å |
| 136 | T | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | D132 H134 L140 F156 M162 Y165 V166 | D132-T136 PolarHBondContact O-N 3.04Å; D132-T136 PolarHBondContact O-OG1 2.84Å; D132-T136 VanDerWaalsContact O-OG1 3.11Å; H134-T136 PolarHBondContact O-N 2.79Å; T136-L140 WeakPolarHBondContact O-CB 3.45Å; T136-L140 PolarHBondContact O-N 2.89Å; T136-L140 VanDerWaalsContact O-N 3.13Å; T136-F156 HydrophobicContact CG2-CZ 3.84Å; T136-M162 HydrophobicContact CG2-SD 3.97Å; T136-Y165 WeakPolarHBondContact OG1-CD2 3.41Å; T136-V166 HydrophobicContact CG2-CG2 4.38Å |
| 137 | F | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 176.6 | -170.5 | -120.5 | 0 | 0 | 0 | 112.4 | F109 A113 F133 H134 N135 L140 I141 V166 Y169 L170 | F109-F137 HydrophobicContact CE1-CE1 4.48Å; F109-F137 HydrophobicContact CE1-CZ 4.07Å; F109-F137 HydrophobicContact CZ-CE1 4.2Å; F109-F137 AromaticContact CZ-CZ 3.64Å; F109-F137 HydrophobicContact CZ-CZ 3.64Å; A113-F137 HydrophobicContact CB-CD1 4.1Å; A113-F137 HydrophobicContact CB-CE1 3.72Å; F133-F137 WeakPolarHBondContact O-CB 3.49Å; F133-F137 PolarHBondContact O-N 3.46Å; F133-F137 VanDerWaalsContact O-N 3.07Å; H134-F137 WeakPolarHBondContact O-CB 3.36Å; H134-F137 PolarHBondContact O-N 2.71Å; H134-F137 VanDerWaalsContact O-N 3.15Å; N135-F137 VanDerWaalsContact C-N 3.29Å; N135-F137 PolarHBondContact O-N 3.16Å; F137-L140 PolarHBondContact O-N 3.46Å; F137-I141 HydrophobicContact CD1-CD1 3.97Å; F137-I141 HydrophobicContact CE1-CD1 3.86Å; F137-I141 HydrophobicContact CZ-CD1 4.34Å; F137-I141 WeakPolarHBondContact O-CG1 3.3Å; F137-I141 PolarHBondContact O-N 3.18Å; F137-I141 VanDerWaalsContact O-N 3.13Å; F137-V166 HydrophobicContact CD2-CG1 4.02Å; F137-V166 HydrophobicContact CD2-CG2 4.38Å; F137-V166 HydrophobicContact CE2-CG1 4.24Å; F137-Y169 HydrophobicContact CB-CD1 3.72Å; F137-Y169 HydrophobicContact CB-CE1 4.32Å; F137-Y169 HydrophobicContact CB-CG 4.27Å; F137-Y169 AromaticContact CD1-CD1 3.47Å; F137-Y169 HydrophobicContact CD1-CD1 3.47Å; F137-Y169 VanDerWaalsContact CD1-CD1 3.47Å; F137-Y169 AromaticContact CD1-CE1 3.59Å; F137-Y169 HydrophobicContact CD1-CE1 3.59Å; F137-Y169 HydrophobicContact CD2-CD1 4.43Å; F137-Y169 HydrophobicContact CE1-CD1 4.1Å; F137-Y169 HydrophobicContact CE1-CE1 4.16Å; F137-Y169 AromaticContact CG-CD1 3.64Å; F137-Y169 HydrophobicContact CG-CD1 3.64Å; F137-Y169 HydrophobicContact CG-CE1 4.2Å; F137-L170 HydrophobicContact CE2-CD2 4.09Å; F137-L170 HydrophobicContact CZ-CD2 4.05Å |
| 138 | M | 98.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 175.9 | -67.2 | -56.1 | -58.1 | 0 | 0 | 111.9 | K110 A113 A114 H134 N135 L140 I141 E142 | K110-M138 HydrophobicContact CG-CE 3.82Å; A113-M138 HydrophobicContact CB-SD 3.89Å; A114-M138 HydrophobicContact CB-CE 4.03Å; A114-M138 HydrophobicContact CB-SD 4.41Å; H134-M138 WeakPolarHBondContact NE2-CG 3.44Å; H134-M138 WeakPolarHBondContact O-CG 3.31Å; H134-M138 PolarHBondContact O-N 3.35Å; N135-M138 PolarHBondContact O-N 3.2Å; N135-M138 VanDerWaalsContact O-N 3.17Å; M138-L140 PolarHBondContact O-N 3.48Å; M138-I141 WeakPolarHBondContact O-CB 3.14Å; M138-I141 PolarHBondContact O-N 2.85Å; M138-I141 HydrophobicContact SD-CD1 4.19Å; M138-E142 WeakPolarHBondContact O-CG 3.24Å; M138-E142 PolarHBondContact O-N 2.79Å |
| 139 | D | 98.1 | Very high | 97.1 | Very high | 97 Ų | 97 | 55 Ų | 55 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 175.8 | -74.5 | -19.9 | 0 | 0 | 0 | 111.6 | N135 E142 L143 | N135-D139 WeakPolarHBondContact O-CB 3.37Å; N135-D139 VanDerWaalsContact O-CG 3.31Å; N135-D139 PolarHBondContact O-N 3.32Å; D139-E142 PolarHBondContact O-N 3.35Å; D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 PolarHBondContact O-N 3.12Å |
| 140 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 175.1 | 177.6 | 58.6 | 0 | 0 | 0 | 112.6 | L96 T136 F137 M138 L143 C144 L153 F156 F157 V166 | L96-L140 HydrophobicContact CD1-CD1 4.24Å; L96-L140 HydrophobicContact CD1-CD2 3.33Å; L96-L140 HydrophobicContact CD1-CG 3.54Å; T136-L140 WeakPolarHBondContact O-CB 3.45Å; T136-L140 PolarHBondContact O-N 2.89Å; T136-L140 VanDerWaalsContact O-N 3.13Å; F137-L140 PolarHBondContact O-N 3.46Å; M138-L140 PolarHBondContact O-N 3.48Å; L140-L143 HydrophobicContact CD1-CD2 4.34Å; L140-L143 WeakPolarHBondContact O-CB 3.31Å; L140-L143 PolarHBondContact O-N 2.92Å; L140-C144 PolarHBondContact O-N 3.12Å; L140-C144 VanDerWaalsContact O-N 3.16Å; L140-C144 PolarHBondContact O-SG 2.82Å; L140-L153 HydrophobicContact CD1-CD1 3.61Å; L140-F156 HydrophobicContact CB-CE1 4.05Å; L140-F156 HydrophobicContact CB-CE2 4.26Å; L140-F156 HydrophobicContact CB-CZ 3.81Å; L140-F156 HydrophobicContact CD1-CB 4.31Å; L140-F156 HydrophobicContact CD1-CD1 3.59Å; L140-F156 HydrophobicContact CD1-CD2 4.06Å; L140-F156 HydrophobicContact CD1-CE1 3.84Å; L140-F156 HydrophobicContact CD1-CE2 4.25Å; L140-F156 HydrophobicContact CD1-CG 3.72Å; L140-F156 HydrophobicContact CD1-CZ 4.15Å; L140-F156 HydrophobicContact CD2-CD1 3.97Å; L140-F156 HydrophobicContact CD2-CE1 3.64Å; L140-F156 HydrophobicContact CD2-CZ 4.26Å; L140-F156 HydrophobicContact CG-CD1 4.27Å; L140-F156 HydrophobicContact CG-CE1 4.06Å; L140-F156 HydrophobicContact CG-CZ 4.3Å; L140-F157 HydrophobicContact CD1-CE2 4.39Å; L140-F157 HydrophobicContact CD2-CE2 3.67Å; L140-F157 HydrophobicContact CD2-CZ 3.96Å; L140-V166 HydrophobicContact CD2-CG1 4.47Å; L140-V166 HydrophobicContact CD2-CG2 3.7Å |
| 141 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 173.9 | -67.4 | 166.9 | 0 | 0 | 0 | 110.3 | L96 L106 F109 K110 A113 F137 M138 L143 C144 E145 | L96-I141 HydrophobicContact CD2-CG1 4.08Å; L106-I141 HydrophobicContact CD1-CG2 4.07Å; F109-I141 HydrophobicContact CD1-CD1 3.94Å; F109-I141 HydrophobicContact CD1-CG1 4.15Å; F109-I141 HydrophobicContact CE1-CD1 3.62Å; F109-I141 HydrophobicContact CE1-CG1 3.84Å; K110-I141 HydrophobicContact CB-CG2 3.75Å; K110-I141 HydrophobicContact CD-CG2 4.13Å; K110-I141 HydrophobicContact CG-CG2 3.85Å; A113-I141 HydrophobicContact CB-CD1 3.51Å; F137-I141 HydrophobicContact CD1-CD1 3.97Å; F137-I141 HydrophobicContact CE1-CD1 3.86Å; F137-I141 HydrophobicContact CZ-CD1 4.34Å; F137-I141 WeakPolarHBondContact O-CG1 3.3Å; F137-I141 PolarHBondContact O-N 3.18Å; F137-I141 VanDerWaalsContact O-N 3.13Å; M138-I141 WeakPolarHBondContact O-CB 3.14Å; M138-I141 PolarHBondContact O-N 2.85Å; M138-I141 HydrophobicContact SD-CD1 4.19Å; I141-L143 VanDerWaalsContact C-N 3.33Å; I141-L143 PolarHBondContact O-N 2.88Å; I141-C144 WeakPolarHBondContact O-CA 3.24Å; I141-C144 WeakPolarHBondContact O-CB 3.37Å; I141-C144 PolarHBondContact O-N 2.8Å; I141-C144 VanDerWaalsContact O-N 3.09Å; I141-E145 PolarHBondContact O-N 2.99Å |
| 142 | E | 97.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 176.5 | -69.4 | -169.4 | 171.8 | 0 | 0 | 113 | K110 M138 D139 C144 E145 K146 | K110-E142 IonicContact NZ-OE1 3.68Å; M138-E142 WeakPolarHBondContact O-CG 3.24Å; M138-E142 PolarHBondContact O-N 2.79Å; D139-E142 PolarHBondContact O-N 3.35Å; E142-C144 VanDerWaalsContact C-N 3.3Å; E142-E145 WeakPolarHBondContact CA-OE2 3.34Å; E142-E145 PolarHBondContact O-N 2.73Å; E142-K146 PolarHBondContact O-N 3.45Å |
| 143 | L | 96.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 168.1 | 176.2 | 63.8 | 0 | 0 | 0 | 109.8 | D139 L140 I141 E145 K146 P148 F156 | D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 PolarHBondContact O-N 3.12Å; L140-L143 HydrophobicContact CD1-CD2 4.34Å; L140-L143 WeakPolarHBondContact O-CB 3.31Å; L140-L143 PolarHBondContact O-N 2.92Å; I141-L143 VanDerWaalsContact C-N 3.33Å; I141-L143 PolarHBondContact O-N 2.88Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.12Å; L143-K146 WeakPolarHBondContact O-CB 3.5Å; L143-K146 PolarHBondContact O-N 2.99Å; L143-K146 VanDerWaalsContact O-N 3.14Å; L143-P148 HydrophobicContact CD1-CB 4.08Å; L143-P148 HydrophobicContact CD1-CG 4.49Å; L143-P148 HydrophobicContact CG-CB 4.27Å; L143-P148 HydrophobicContact CG-CG 4.18Å; L143-P148 VanDerWaalsContact O-CD 3.22Å; L143-P148 WeakPolarHBondContact O-CD 3.47Å; L143-F156 HydrophobicContact CD2-CD2 4.45Å |
| 144 | C | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | L100 L106 L140 I141 E142 K146 H147 | L100-C144 HydrophobicContact CD2-CB 4.06Å; L106-C144 HydrophobicContact CD1-CB 4.16Å; L106-C144 HydrophobicContact CD2-CB 4.08Å; L140-C144 PolarHBondContact O-N 3.12Å; L140-C144 VanDerWaalsContact O-N 3.16Å; L140-C144 PolarHBondContact O-SG 2.82Å; I141-C144 WeakPolarHBondContact O-CA 3.24Å; I141-C144 WeakPolarHBondContact O-CB 3.37Å; I141-C144 PolarHBondContact O-N 2.8Å; I141-C144 VanDerWaalsContact O-N 3.09Å; E142-C144 VanDerWaalsContact C-N 3.3Å; C144-K146 PolarHBondContact O-N 2.89Å; C144-H147 PolarHBondContact O-N 2.99Å |
| 145 | E | 96.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -25.7 | 175.2 | -72.8 | 178.9 | 125.8 | 0 | 0 | 113 | L106 Q107 K110 I141 E142 L143 H147 | L106-E145 HydrophobicContact CD2-CB 4.37Å; L106-E145 HydrophobicContact CD2-CG 3.79Å; L106-E145 HydrophobicContact CG-CG 4.29Å; Q107-E145 PolarHBondContact NE2-OE1 3.07Å; K110-E145 VanDerWaalsContact CD-OE1 3.23Å; K110-E145 WeakPolarHBondContact CD-OE1 3.48Å; K110-E145 VanDerWaalsContact NZ-CD 3.28Å; K110-E145 IonicContact NZ-OE1 2.79Å; K110-E145 PolarHBondContact NZ-OE1 2.82Å; K110-E145 VanDerWaalsContact NZ-OE1 3.17Å; K110-E145 IonicContact NZ-OE2 2.77Å; K110-E145 PolarHBondContact NZ-OE2 2.94Å; I141-E145 PolarHBondContact O-N 2.99Å; E142-E145 WeakPolarHBondContact CA-OE2 3.34Å; E142-E145 PolarHBondContact O-N 2.73Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.12Å; E145-H147 PolarHBondContact O-CD2 2.8Å; E145-H147 PolarHBondContact O-N 3.14Å |
| 146 | K | 95.4 | Very high | 97.1 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 69% | 0.691 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 5 | 176.9 | -64.1 | 167.2 | -171.8 | 163.4 | 0 | 112.8 | E142 L143 C144 | E142-K146 PolarHBondContact O-N 3.45Å; L143-K146 WeakPolarHBondContact O-CB 3.5Å; L143-K146 PolarHBondContact O-N 2.99Å; L143-K146 VanDerWaalsContact O-N 3.14Å; C144-K146 PolarHBondContact O-N 2.89Å |
| 147 | H | 92.1 | Very high | 97 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | trans | 50.1 | 61 | -176.4 | -64.4 | -76.8 | 0 | 0 | 0 | 112.3 | L100 S103 C144 E145 | L100-H147 PolarHBondContact O-CE1 3.27Å; L100-H147 PolarHBondContact O-ND1 3.04Å; S103-H147 PolarHBondContact OG-CE1 3.08Å; C144-H147 PolarHBondContact O-N 2.99Å; E145-H147 PolarHBondContact O-CD2 2.8Å; E145-H147 PolarHBondContact O-N 3.14Å | ||
| 148 | P | 95.3 | Very high | 97 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -68.4 | 162.4 | -177.6 | 34.7 | -35.9 | 0 | 0 | 0 | 109.5 | L100 L143 E152 | L100-P148 HydrophobicContact CD2-CG 3.96Å; L143-P148 HydrophobicContact CD1-CB 4.08Å; L143-P148 HydrophobicContact CD1-CG 4.49Å; L143-P148 HydrophobicContact CG-CB 4.27Å; L143-P148 HydrophobicContact CG-CG 4.18Å; L143-P148 VanDerWaalsContact O-CD 3.22Å; L143-P148 WeakPolarHBondContact O-CD 3.47Å; P148-E152 HydrophobicContact CB-CB 4.07Å | ||
| 149 | R | 95.7 | Very high | 97 | Very high | 196 Ų | 196 | 59.6 Ų | 59.6 | 74% | 0.74 | 28% | 0.281 | S | S | * | . | trans | -65.2 | 146.4 | 165.2 | -62.5 | -179.7 | -179.8 | -178.6 | 1.4 | 108.6 | Q151 E152 | R149-Q151 PolarHBondContact O-N 3.28Å; R149-E152 HydrophobicContact CB-CG 4.39Å; R149-E152 WeakPolarHBondContact CB-OE1 3.4Å; R149-E152 PolarHBondContact N-OE1 3.18Å; R149-E152 WeakPolarHBondContact O-CB 3.38Å; R149-E152 PolarHBondContact O-N 3.11Å | ||
| 150 | L | 95.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -51.2 | -34 | 175.4 | 179.5 | 58.1 | 0 | 0 | 0 | 113 | F93 E97 L100 E152 L153 L154 | F93-L150 HydrophobicContact CZ-CD1 3.93Å; E97-L150 HydrophobicContact CB-CD1 4.45Å; E97-L150 HydrophobicContact CG-CD1 3.75Å; E97-L150 WeakPolarHBondContact OE1-CD1 3.34Å; E97-L150 WeakPolarHBondContact OE1-CD2 3.48Å; L100-L150 HydrophobicContact CD1-CD1 4.14Å; L150-E152 VanDerWaalsContact C-N 3.28Å; L150-E152 PolarHBondContact O-N 3.19Å; L150-L153 HydrophobicContact CD1-CD2 4.38Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 2.91Å |
| 151 | Q | 97 | Very high | 96.9 | Very high | 96 Ų | 96 | 63.7 Ų | 63.7 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 176.5 | -168.6 | 61.9 | 50 | 0 | 0 | 113.1 | R149 L154 N155 | R149-Q151 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 2.83Å; Q151-N155 PolarHBondContact NE2-OD1 2.86Å; Q151-N155 WeakPolarHBondContact O-CB 3.48Å; Q151-N155 PolarHBondContact O-N 3.11Å; Q151-N155 PolarHBondContact O-ND2 2.99Å; Q151-N155 PolarHBondContact O-OD1 3.46Å |
| 152 | E | 97.5 | Very high | 96.9 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 178.9 | -63.4 | 170.9 | -108.6 | 0 | 0 | 110.7 | P148 R149 L150 L154 N155 F156 | P148-E152 HydrophobicContact CB-CB 4.07Å; R149-E152 HydrophobicContact CB-CG 4.39Å; R149-E152 WeakPolarHBondContact CB-OE1 3.4Å; R149-E152 PolarHBondContact N-OE1 3.18Å; R149-E152 WeakPolarHBondContact O-CB 3.38Å; R149-E152 PolarHBondContact O-N 3.11Å; L150-E152 VanDerWaalsContact C-N 3.28Å; L150-E152 PolarHBondContact O-N 3.19Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-N155 PolarHBondContact O-N 2.84Å; E152-F156 PolarHBondContact O-N 3.47Å |
| 153 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 171.2 | 180 | 62.1 | 0 | 0 | 0 | 111.2 | F93 L96 E97 L100 L140 L150 N155 F156 F157 | F93-L153 HydrophobicContact CD2-CG 4.28Å; F93-L153 HydrophobicContact CE2-CD2 4.26Å; F93-L153 HydrophobicContact CE2-CG 3.98Å; L96-L153 HydrophobicContact CB-CD1 4.33Å; L96-L153 HydrophobicContact CB-CD2 4.22Å; L96-L153 HydrophobicContact CD1-CD1 4.44Å; E97-L153 HydrophobicContact CB-CD2 4.16Å; L100-L153 HydrophobicContact CD1-CD2 4.12Å; L140-L153 HydrophobicContact CD1-CD1 3.61Å; L150-L153 HydrophobicContact CD1-CD2 4.38Å; L150-L153 PolarHBondContact O-N 2.92Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 2.91Å; L153-F156 WeakPolarHBondContact O-CB 3.22Å; L153-F156 PolarHBondContact O-N 2.86Å; L153-F157 HydrophobicContact CD1-CD2 3.98Å; L153-F157 HydrophobicContact CD1-CE2 3.87Å; L153-F157 HydrophobicContact CG-CD2 4.4Å; L153-F157 PolarHBondContact O-N 2.86Å; L153-F157 VanDerWaalsContact O-N 3.08Å |
| 154 | L | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.4 | -174.7 | 62.2 | 0 | 0 | 0 | 112.7 | V43 D45 F93 L150 Q151 E152 F157 N158 | V43-L154 HydrophobicContact CB-CD1 3.98Å; V43-L154 HydrophobicContact CG1-CD1 3.66Å; D45-L154 VanDerWaalsContact OD1-CD2 3.23Å; D45-L154 WeakPolarHBondContact OD1-CD2 3.24Å; F93-L154 HydrophobicContact CE2-CB 4.08Å; F93-L154 HydrophobicContact CE2-CD1 3.8Å; F93-L154 HydrophobicContact CZ-CB 4.44Å; F93-L154 HydrophobicContact CZ-CD1 4.03Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 2.91Å; Q151-L154 PolarHBondContact O-N 2.83Å; E152-L154 VanDerWaalsContact C-N 3.35Å; L154-F157 PolarHBondContact O-N 3.44Å; L154-N158 WeakPolarHBondContact CD1-ND2 3.47Å; L154-N158 WeakPolarHBondContact O-CB 3.22Å; L154-N158 PolarHBondContact O-N 2.58Å; L154-N158 PolarHBondContact O-ND2 3.38Å |
| 155 | N | 98.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 68 Ų | 68 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.9 | -69.9 | -9.9 | 0 | 0 | 0 | 111 | Q151 E152 L153 N158 D159 | Q151-N155 PolarHBondContact NE2-OD1 2.86Å; Q151-N155 WeakPolarHBondContact O-CB 3.48Å; Q151-N155 PolarHBondContact O-N 3.11Å; Q151-N155 PolarHBondContact O-ND2 2.99Å; Q151-N155 PolarHBondContact O-OD1 3.46Å; E152-N155 PolarHBondContact O-N 2.84Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-N155 PolarHBondContact O-N 2.91Å; N155-N158 CarbonylContact O-C 3.57Å; N155-N158 PolarHBondContact O-N 2.94Å; N155-N158 VanDerWaalsContact O-N 3.16Å; N155-D159 PolarHBondContact O-N 3.44Å |
| 156 | F | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 16% | 0.158 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.1 | -174 | -75.5 | 0 | 0 | 0 | 111.3 | T136 L140 L143 E152 L153 N158 D159 M162 V166 | T136-F156 HydrophobicContact CG2-CZ 3.84Å; L140-F156 HydrophobicContact CB-CE1 4.05Å; L140-F156 HydrophobicContact CB-CE2 4.26Å; L140-F156 HydrophobicContact CB-CZ 3.81Å; L140-F156 HydrophobicContact CD1-CB 4.31Å; L140-F156 HydrophobicContact CD1-CD1 3.59Å; L140-F156 HydrophobicContact CD1-CD2 4.06Å; L140-F156 HydrophobicContact CD1-CE1 3.84Å; L140-F156 HydrophobicContact CD1-CE2 4.25Å; L140-F156 HydrophobicContact CD1-CG 3.72Å; L140-F156 HydrophobicContact CD1-CZ 4.15Å; L140-F156 HydrophobicContact CD2-CD1 3.97Å; L140-F156 HydrophobicContact CD2-CE1 3.64Å; L140-F156 HydrophobicContact CD2-CZ 4.26Å; L140-F156 HydrophobicContact CG-CD1 4.27Å; L140-F156 HydrophobicContact CG-CE1 4.06Å; L140-F156 HydrophobicContact CG-CZ 4.3Å; L143-F156 HydrophobicContact CD2-CD2 4.45Å; E152-F156 PolarHBondContact O-N 3.47Å; L153-F156 WeakPolarHBondContact O-CB 3.22Å; L153-F156 PolarHBondContact O-N 2.86Å; F156-N158 PolarHBondContact O-N 3.03Å; F156-D159 PolarHBondContact O-N 3.41Å; F156-D159 VanDerWaalsContact O-N 3.14Å; F156-M162 HydrophobicContact CD1-CB 4.1Å; F156-M162 HydrophobicContact CD2-CB 4.47Å; F156-M162 HydrophobicContact CE1-CB 3.67Å; F156-M162 HydrophobicContact CE2-CB 4.12Å; F156-M162 HydrophobicContact CE2-CG 4.27Å; F156-M162 HydrophobicContact CE2-SD 4.36Å; F156-M162 HydrophobicContact CG-CB 4.47Å; F156-M162 HydrophobicContact CZ-CB 3.71Å; F156-M162 HydrophobicContact CZ-CG 4.26Å; F156-M162 HydrophobicContact CZ-SD 4.33Å; F156-V166 HydrophobicContact CE1-CG2 3.88Å; F156-V166 HydrophobicContact CZ-CG2 4.49Å |
| 157 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -14 | 178.5 | -90.6 | -92 | 0 | 0 | 0 | 114.3 | L42 V43 R89 G92 F93 L96 L140 L153 L154 S163 V166 | L42-F157 WeakPolarHBondContact CB-O 3.46Å; V43-F157 HydrophobicContact CB-CB 4.48Å; V43-F157 HydrophobicContact CG2-CB 4.01Å; V43-F157 HydrophobicContact CG2-CD1 4.26Å; R89-F157 HydrophobicContact CG-CD1 4.18Å; G92-F157 VanDerWaalsContact C-CZ 3.41Å; F93-F157 HydrophobicContact CB-CD1 4.03Å; F93-F157 HydrophobicContact CB-CD2 4.34Å; F93-F157 HydrophobicContact CB-CE1 3.98Å; F93-F157 HydrophobicContact CB-CE2 4.26Å; F93-F157 HydrophobicContact CB-CG 4.21Å; F93-F157 HydrophobicContact CB-CZ 4.1Å; F93-F157 HydrophobicContact CD2-CB 4.01Å; F93-F157 HydrophobicContact CD2-CD1 4.43Å; F93-F157 AromaticContact CD2-CD2 3.67Å; F93-F157 HydrophobicContact CD2-CD2 3.67Å; F93-F157 HydrophobicContact CD2-CE2 4.2Å; F93-F157 AromaticContact CD2-CG 3.78Å; F93-F157 HydrophobicContact CD2-CG 3.78Å; F93-F157 HydrophobicContact CG-CD2 4.49Å; F93-F157 HydrophobicContact CG-CG 4.49Å; F93-F157 VanDerWaalsContact N-CZ 3.32Å; L96-F157 HydrophobicContact CD1-CE2 3.93Å; L96-F157 HydrophobicContact CD1-CZ 4.11Å; L140-F157 HydrophobicContact CD1-CE2 4.39Å; L140-F157 HydrophobicContact CD2-CE2 3.67Å; L140-F157 HydrophobicContact CD2-CZ 3.96Å; L153-F157 HydrophobicContact CD1-CD2 3.98Å; L153-F157 HydrophobicContact CD1-CE2 3.87Å; L153-F157 HydrophobicContact CG-CD2 4.4Å; L153-F157 PolarHBondContact O-N 2.86Å; L153-F157 VanDerWaalsContact O-N 3.08Å; L154-F157 PolarHBondContact O-N 3.44Å; F157-S163 WeakPolarHBondContact O-CB 3.43Å; F157-S163 PolarHBondContact O-OG 3.17Å; F157-V166 HydrophobicContact CE1-CG1 4.38Å; F157-V166 HydrophobicContact CZ-CG1 4.31Å |
| 158 | N | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 54 Ų | 54 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -99.6 | -1.8 | 173.5 | -80.2 | -69.9 | 0 | 0 | 0 | 113.7 | P41 L42 V43 L154 N155 F156 | P41-N158 WeakPolarHBondContact CB-OD1 3.15Å; L42-N158 PolarHBondContact N-OD1 3.14Å; L42-N158 VanDerWaalsContact N-OD1 3.14Å; V43-N158 PolarHBondContact N-OD1 2.95Å; V43-N158 PolarHBondContact O-ND2 3.33Å; V43-N158 PolarHBondContact O-OD1 3.26Å; L154-N158 WeakPolarHBondContact CD1-ND2 3.47Å; L154-N158 WeakPolarHBondContact O-CB 3.22Å; L154-N158 PolarHBondContact O-N 2.58Å; L154-N158 PolarHBondContact O-ND2 3.38Å; N155-N158 CarbonylContact O-C 3.57Å; N155-N158 PolarHBondContact O-N 2.94Å; N155-N158 VanDerWaalsContact O-N 3.16Å; F156-N158 PolarHBondContact O-N 3.03Å |
| 159 | D | 98.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -78 | 120.8 | 160.6 | -178.3 | -81.1 | 0 | 0 | 0 | 108.9 | N155 F156 N161 M162 S163 | N155-D159 PolarHBondContact O-N 3.44Å; F156-D159 PolarHBondContact O-N 3.41Å; F156-D159 VanDerWaalsContact O-N 3.14Å; D159-N161 PolarHBondContact O-N 3.2Å; D159-N161 PolarHBondContact OD1-N 3.39Å; D159-N161 VanDerWaalsContact OD1-N 3.11Å; D159-M162 HydrophobicContact CB-CB 4.07Å; D159-M162 HydrophobicContact CB-CG 4.1Å; D159-M162 PolarHBondContact O-N 2.92Å; D159-M162 VanDerWaalsContact OD1-CG 3.28Å; D159-M162 WeakPolarHBondContact OD1-CG 3.47Å; D159-M162 PolarHBondContact OD1-N 2.94Å; D159-S163 WeakPolarHBondContact O-CB 3.28Å; D159-S163 PolarHBondContact O-N 3.48Å |
| 160 | Q | 96.3 | Very high | 98 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 34% | 0.341 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -46.2 | -172.5 | -171.3 | 69.8 | 55.5 | 0 | 0 | 112 | L42 D164 | L42-Q160 HydrophobicContact CD1-CB 4.43Å; Q160-D164 VanDerWaalsContact NE2-CG 3.34Å; Q160-D164 PolarHBondContact NE2-OD1 3.33Å; Q160-D164 PolarHBondContact NE2-OD2 3.05Å; Q160-D164 VanDerWaalsContact O-CB 3.25Å; Q160-D164 WeakPolarHBondContact O-CB 3.32Å; Q160-D164 PolarHBondContact O-N 3.31Å |
| 161 | N | 96.9 | Very high | 98.2 | Very high | 111 Ų | 111 | 41 Ų | 41 | 59% | 0.594 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -69.2 | -47.9 | -176.2 | -66.3 | -22.7 | 0 | 0 | 0 | 110.7 | D159 S163 D164 Y165 | D159-N161 PolarHBondContact O-N 3.2Å; D159-N161 PolarHBondContact OD1-N 3.39Å; D159-N161 VanDerWaalsContact OD1-N 3.11Å; N161-S163 PolarHBondContact O-N 3.02Å; N161-D164 PolarHBondContact O-N 2.84Å; N161-Y165 WeakPolarHBondContact O-CB 3.05Å; N161-Y165 WeakPolarHBondContact O-CD1 3.45Å; N161-Y165 PolarHBondContact O-N 3.39Å |
| 162 | M | 97.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.7 | -44.3 | -178.5 | -63.1 | -61.4 | 164.7 | 0 | 0 | 111.7 | T136 F156 D159 Y165 V166 | T136-M162 HydrophobicContact CG2-SD 3.97Å; F156-M162 HydrophobicContact CD1-CB 4.1Å; F156-M162 HydrophobicContact CD2-CB 4.47Å; F156-M162 HydrophobicContact CE1-CB 3.67Å; F156-M162 HydrophobicContact CE2-CB 4.12Å; F156-M162 HydrophobicContact CE2-CG 4.27Å; F156-M162 HydrophobicContact CE2-SD 4.36Å; F156-M162 HydrophobicContact CG-CB 4.47Å; F156-M162 HydrophobicContact CZ-CB 3.71Å; F156-M162 HydrophobicContact CZ-CG 4.26Å; F156-M162 HydrophobicContact CZ-SD 4.33Å; D159-M162 HydrophobicContact CB-CB 4.07Å; D159-M162 HydrophobicContact CB-CG 4.1Å; D159-M162 PolarHBondContact O-N 2.92Å; D159-M162 VanDerWaalsContact OD1-CG 3.28Å; D159-M162 WeakPolarHBondContact OD1-CG 3.47Å; D159-M162 PolarHBondContact OD1-N 2.94Å; M162-Y165 PolarHBondContact O-N 3.08Å; M162-V166 WeakPolarHBondContact O-CG2 3.5Å; M162-V166 PolarHBondContact O-N 3.29Å; M162-V166 VanDerWaalsContact O-N 3.14Å |
| 163 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 179.1 | -157.6 | 0 | 0 | 0 | 0 | 111.6 | R89 F157 D159 N161 V166 V167 | R89-S163 PolarHBondContact NH1-OG 3.15Å; F157-S163 WeakPolarHBondContact O-CB 3.43Å; F157-S163 PolarHBondContact O-OG 3.17Å; D159-S163 WeakPolarHBondContact O-CB 3.28Å; D159-S163 PolarHBondContact O-N 3.48Å; N161-S163 PolarHBondContact O-N 3.02Å; S163-V166 PolarHBondContact O-N 3.36Å; S163-V167 WeakPolarHBondContact O-CG2 3.06Å; S163-V167 PolarHBondContact O-N 3.47Å |
| 164 | D | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.6 | -34.9 | 177.9 | -70 | -10.2 | 0 | 0 | 0 | 112.5 | R89 Q160 N161 V166 V167 V168 M206 | R89-D164 IonicContact CZ-OD1 2.8Å; R89-D164 IonicContact NH1-OD1 2.65Å; R89-D164 PolarHBondContact NH1-OD1 3.09Å; R89-D164 IonicContact NH2-OD1 3.15Å; R89-D164 PolarHBondContact NH2-OD1 3.25Å; Q160-D164 VanDerWaalsContact NE2-CG 3.34Å; Q160-D164 PolarHBondContact NE2-OD1 3.33Å; Q160-D164 PolarHBondContact NE2-OD2 3.05Å; Q160-D164 VanDerWaalsContact O-CB 3.25Å; Q160-D164 WeakPolarHBondContact O-CB 3.32Å; Q160-D164 PolarHBondContact O-N 3.31Å; N161-D164 PolarHBondContact O-N 2.84Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 2.89Å; D164-V167 WeakPolarHBondContact O-CB 3.29Å; D164-V167 PolarHBondContact O-N 3.43Å; D164-V168 WeakPolarHBondContact O-CG2 3.32Å; D164-V168 PolarHBondContact O-N 2.95Å; D164-M206 HydrophobicContact CB-CE 3.92Å |
| 165 | Y | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 35% | 0.349 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 173.1 | -90.7 | 49.9 | 0 | 0 | 0 | 111.9 | D132 F133 T136 N161 M162 V168 Y169 | D132-Y165 HydrophobicContact CB-CE2 3.99Å; F133-Y165 HydrophobicContact CD1-CD1 4.17Å; F133-Y165 AromaticContact CD1-CD2 3.51Å; F133-Y165 HydrophobicContact CD1-CD2 3.51Å; F133-Y165 AromaticContact CD1-CE2 3.97Å; F133-Y165 HydrophobicContact CD1-CE2 3.97Å; F133-Y165 AromaticContact CD1-CG 3.62Å; F133-Y165 HydrophobicContact CD1-CG 3.62Å; F133-Y165 AromaticContact CE1-CD1 3.91Å; F133-Y165 HydrophobicContact CE1-CD1 3.91Å; F133-Y165 AromaticContact CE1-CD2 3.86Å; F133-Y165 HydrophobicContact CE1-CD2 3.86Å; F133-Y165 AromaticContact CE1-CE1 3.99Å; F133-Y165 HydrophobicContact CE1-CE1 3.99Å; F133-Y165 AromaticContact CE1-CE2 3.93Å; F133-Y165 HydrophobicContact CE1-CE2 3.93Å; F133-Y165 AromaticContact CE1-CG 3.84Å; F133-Y165 HydrophobicContact CE1-CG 3.84Å; F133-Y165 AromaticContact CE1-CZ 4Å; T136-Y165 WeakPolarHBondContact OG1-CD2 3.41Å; N161-Y165 WeakPolarHBondContact O-CB 3.05Å; N161-Y165 WeakPolarHBondContact O-CD1 3.45Å; N161-Y165 PolarHBondContact O-N 3.39Å; M162-Y165 PolarHBondContact O-N 3.08Å; Y165-V168 PolarHBondContact O-N 3.22Å; Y165-Y169 PolarHBondContact O-N 3.49Å |
| 166 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 111 | T136 F137 L140 F156 F157 M162 S163 D164 V168 Y169 L170 | T136-V166 HydrophobicContact CG2-CG2 4.38Å; F137-V166 HydrophobicContact CD2-CG1 4.02Å; F137-V166 HydrophobicContact CD2-CG2 4.38Å; F137-V166 HydrophobicContact CE2-CG1 4.24Å; L140-V166 HydrophobicContact CD2-CG1 4.47Å; L140-V166 HydrophobicContact CD2-CG2 3.7Å; F156-V166 HydrophobicContact CE1-CG2 3.88Å; F156-V166 HydrophobicContact CZ-CG2 4.49Å; F157-V166 HydrophobicContact CE1-CG1 4.38Å; F157-V166 HydrophobicContact CZ-CG1 4.31Å; M162-V166 WeakPolarHBondContact O-CG2 3.5Å; M162-V166 PolarHBondContact O-N 3.29Å; M162-V166 VanDerWaalsContact O-N 3.14Å; S163-V166 PolarHBondContact O-N 3.36Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 2.89Å; V166-V168 PolarHBondContact O-N 2.87Å; V166-Y169 PolarHBondContact O-N 3.41Å; V166-L170 HydrophobicContact CG1-CD1 3.92Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 VanDerWaalsContact O-CG 3.3Å; V166-L170 WeakPolarHBondContact O-CG 3.31Å; V166-L170 PolarHBondContact O-N 3.37Å |
| 167 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.8 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | N85 Y88 R89 S163 D164 Y169 L170 R171 M206 | N85-V167 HydrophobicContact CB-CG1 3.81Å; N85-V167 HydrophobicContact CB-CG2 4.3Å; Y88-V167 HydrophobicContact CD2-CG1 4.47Å; Y88-V167 HydrophobicContact CG-CG1 4.48Å; R89-V167 HydrophobicContact CB-CG2 4.27Å; S163-V167 WeakPolarHBondContact O-CG2 3.06Å; S163-V167 PolarHBondContact O-N 3.47Å; D164-V167 WeakPolarHBondContact O-CB 3.29Å; D164-V167 PolarHBondContact O-N 3.43Å; V167-Y169 VanDerWaalsContact C-N 3.31Å; V167-Y169 PolarHBondContact O-N 2.66Å; V167-L170 PolarHBondContact O-N 2.72Å; V167-R171 HydrophobicContact CG1-CG 4.48Å; V167-R171 WeakPolarHBondContact O-CG 3.42Å; V167-R171 PolarHBondContact O-N 3.24Å; V167-M206 HydrophobicContact CB-CE 4.16Å; V167-M206 HydrophobicContact CB-SD 4.4Å; V167-M206 HydrophobicContact CG1-CE 3.77Å; V167-M206 HydrophobicContact CG1-SD 3.64Å |
| 168 | V | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 177 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | F133 D164 Y165 V166 L170 R171 L172 M206 | F133-V168 HydrophobicContact CD1-CB 3.87Å; F133-V168 HydrophobicContact CD1-CG1 3.82Å; F133-V168 HydrophobicContact CD2-CG1 3.66Å; F133-V168 HydrophobicContact CE1-CB 3.94Å; F133-V168 HydrophobicContact CE1-CG1 3.8Å; F133-V168 HydrophobicContact CE1-CG2 4.15Å; F133-V168 HydrophobicContact CE2-CG1 3.64Å; F133-V168 HydrophobicContact CG-CB 4.21Å; F133-V168 HydrophobicContact CG-CG1 3.77Å; F133-V168 HydrophobicContact CZ-CB 4.35Å; F133-V168 HydrophobicContact CZ-CG1 3.72Å; D164-V168 WeakPolarHBondContact O-CG2 3.32Å; D164-V168 PolarHBondContact O-N 2.95Å; Y165-V168 PolarHBondContact O-N 3.22Å; V166-V168 PolarHBondContact O-N 2.87Å; V168-L170 PolarHBondContact O-N 3.16Å; V168-R171 WeakPolarHBondContact O-CB 3.38Å; V168-R171 PolarHBondContact O-N 3.46Å; V168-L172 HydrophobicContact CG1-CD1 4.1Å; V168-L172 HydrophobicContact CG1-CG 4.38Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 3.25Å; V168-M206 HydrophobicContact CG2-CE 4.26Å; V168-M206 HydrophobicContact CG2-CG 4Å; V168-M206 HydrophobicContact CG2-SD 3.48Å; V168-M206 WeakPolarHBondContact CG2-SD 3.32Å |
| 169 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 179.2 | -161.7 | -116.4 | 0 | 0 | 0 | 112.4 | S116 K117 L120 F133 H134 F137 Y165 V166 V167 R171 L172 L173 | S116-Y169 PolarHBondContact OG-OH 3.32Å; K117-Y169 PolarHBondContact N-OH 2.88Å; L120-Y169 HydrophobicContact CD1-CE2 3.91Å; F133-Y169 HydrophobicContact CB-CD2 3.9Å; F133-Y169 HydrophobicContact CB-CG 4.34Å; H134-Y169 HydrophobicContact CB-CD2 4.19Å; H134-Y169 HydrophobicContact CB-CE2 3.6Å; H134-Y169 AromaticContact CD2-CE1 3.88Å; H134-Y169 AromaticContact CD2-CZ 3.45Å; H134-Y169 VanDerWaalsContact CD2-CZ 3.45Å; H134-Y169 PolarHBondContact CD2-OH 3.03Å; F137-Y169 HydrophobicContact CB-CD1 3.72Å; F137-Y169 HydrophobicContact CB-CE1 4.32Å; F137-Y169 HydrophobicContact CB-CG 4.27Å; F137-Y169 AromaticContact CD1-CD1 3.47Å; F137-Y169 HydrophobicContact CD1-CD1 3.47Å; F137-Y169 VanDerWaalsContact CD1-CD1 3.47Å; F137-Y169 AromaticContact CD1-CE1 3.59Å; F137-Y169 HydrophobicContact CD1-CE1 3.59Å; F137-Y169 HydrophobicContact CD2-CD1 4.43Å; F137-Y169 HydrophobicContact CE1-CD1 4.1Å; F137-Y169 HydrophobicContact CE1-CE1 4.16Å; F137-Y169 AromaticContact CG-CD1 3.64Å; F137-Y169 HydrophobicContact CG-CD1 3.64Å; F137-Y169 HydrophobicContact CG-CE1 4.2Å; Y165-Y169 PolarHBondContact O-N 3.49Å; V166-Y169 PolarHBondContact O-N 3.41Å; V167-Y169 VanDerWaalsContact C-N 3.31Å; V167-Y169 PolarHBondContact O-N 2.66Å; Y169-R171 VanDerWaalsContact C-N 3.33Å; Y169-R171 PolarHBondContact O-N 3.13Å; Y169-L172 WeakPolarHBondContact O-CB 3.36Å; Y169-L172 PolarHBondContact O-N 3.35Å; Y169-L173 HydrophobicContact CD1-CD1 3.9Å; Y169-L173 HydrophobicContact CD1-CG 4.26Å; Y169-L173 HydrophobicContact CE1-CD1 3.79Å; Y169-L173 HydrophobicContact CE1-CD2 4.15Å; Y169-L173 HydrophobicContact CE1-CG 4.05Å; Y169-L173 WeakPolarHBondContact O-CG 3.28Å; Y169-L173 PolarHBondContact O-N 2.86Å |
| 170 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 176.8 | -65.2 | 170 | 0 | 0 | 0 | 112.5 | Y88 F91 F137 V166 V167 V168 L173 T174 L218 L222 | Y88-L170 HydrophobicContact CD1-CB 3.72Å; Y88-L170 HydrophobicContact CE1-CB 4.48Å; Y88-L170 HydrophobicContact CG-CB 4.43Å; Y88-L170 WeakPolarHBondContact O-CD1 3.31Å; F91-L170 HydrophobicContact CD1-CD1 4.19Å; F91-L170 HydrophobicContact CD1-CD2 4.23Å; F91-L170 HydrophobicContact CE1-CD2 3.99Å; F137-L170 HydrophobicContact CE2-CD2 4.09Å; F137-L170 HydrophobicContact CZ-CD2 4.05Å; V166-L170 HydrophobicContact CG1-CD1 3.92Å; V166-L170 HydrophobicContact CG1-CG 4.37Å; V166-L170 VanDerWaalsContact O-CG 3.3Å; V166-L170 WeakPolarHBondContact O-CG 3.31Å; V166-L170 PolarHBondContact O-N 3.37Å; V167-L170 PolarHBondContact O-N 2.72Å; V168-L170 PolarHBondContact O-N 3.16Å; L170-L173 HydrophobicContact CD2-CD1 4.37Å; L170-L173 PolarHBondContact O-N 3.26Å; L170-T174 PolarHBondContact O-N 3.03Å; L170-T174 PolarHBondContact O-OG1 2.55Å; L170-L218 HydrophobicContact CB-CD1 4.4Å; L170-L218 HydrophobicContact CB-CD2 4.49Å; L170-L218 HydrophobicContact CD2-CD1 4.09Å; L170-L222 HydrophobicContact CD2-CD1 4.02Å |
| 171 | R | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 172.2 | -76.3 | 178.7 | 176.9 | -75.7 | -1.7 | 111.6 | G84 N85 Y88 V167 V168 Y169 T174 S175 V203 P205 K208 | G84-R171 PolarHBondContact O-NH2 3.38Å; G84-R171 VanDerWaalsContact O-NH2 3.11Å; N85-R171 PolarHBondContact OD1-NE 3.25Å; N85-R171 PolarHBondContact OD1-NH2 2.85Å; Y88-R171 HydrophobicContact CD1-CG 4.33Å; Y88-R171 HydrophobicContact CD2-CG 3.83Å; Y88-R171 HydrophobicContact CE1-CG 4.05Å; Y88-R171 HydrophobicContact CE2-CG 3.52Å; Y88-R171 HydrophobicContact CG-CG 4.22Å; V167-R171 HydrophobicContact CG1-CG 4.48Å; V167-R171 WeakPolarHBondContact O-CG 3.42Å; V167-R171 PolarHBondContact O-N 3.24Å; V168-R171 WeakPolarHBondContact O-CB 3.38Å; V168-R171 PolarHBondContact O-N 3.46Å; Y169-R171 VanDerWaalsContact C-N 3.33Å; Y169-R171 PolarHBondContact O-N 3.13Å; R171-T174 WeakPolarHBondContact O-CB 3.49Å; R171-T174 PolarHBondContact O-N 3.05Å; R171-S175 PolarHBondContact O-N 3.14Å; R171-V203 VanDerWaalsContact CD-O 3.31Å; R171-V203 WeakPolarHBondContact CD-O 3.44Å; R171-V203 WeakPolarHBondContact CG-O 3.16Å; R171-V203 PolarHBondContact NH1-O 2.96Å; R171-P205 PolarHBondContact NH1-O 2.91Å; R171-K208 PolarHBondContact NH1-O 3.14Å; R171-K208 PolarHBondContact NH2-O 3.17Å |
| 172 | L | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 176.9 | -66.3 | 173.2 | 0 | 0 | 0 | 111.7 | L120 F125 I130 F133 V168 Y169 T174 S175 G176 | L120-L172 HydrophobicContact CD1-CB 4.21Å; L120-L172 VanDerWaalsContact CD2-O 3.31Å; L120-L172 WeakPolarHBondContact CD2-O 3.43Å; F125-L172 HydrophobicContact CD1-CD2 3.98Å; F125-L172 HydrophobicContact CE1-CD2 3.62Å; I130-L172 HydrophobicContact CB-CD1 4.19Å; I130-L172 HydrophobicContact CG2-CD1 3.71Å; F133-L172 HydrophobicContact CD2-CD1 4.26Å; V168-L172 HydrophobicContact CG1-CD1 4.1Å; V168-L172 HydrophobicContact CG1-CG 4.38Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 3.25Å; Y169-L172 WeakPolarHBondContact O-CB 3.36Å; Y169-L172 PolarHBondContact O-N 3.35Å; L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 PolarHBondContact O-N 3.48Å; L172-S175 PolarHBondContact O-N 2.87Å; L172-G176 PolarHBondContact O-N 2.89Å |
| 173 | L | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 174.2 | -68.3 | 175.4 | 0 | 0 | 0 | 112.5 | S116 L120 Y169 L170 Y177 L218 L222 | S116-L173 VanDerWaalsContact CB-CD2 3.44Å; S116-L173 WeakPolarHBondContact OG-CD2 3.08Å; L120-L173 HydrophobicContact CD1-CD2 3.94Å; L120-L173 HydrophobicContact CG-CD2 4.32Å; Y169-L173 HydrophobicContact CD1-CD1 3.9Å; Y169-L173 HydrophobicContact CD1-CG 4.26Å; Y169-L173 HydrophobicContact CE1-CD1 3.79Å; Y169-L173 HydrophobicContact CE1-CD2 4.15Å; Y169-L173 HydrophobicContact CE1-CG 4.05Å; Y169-L173 WeakPolarHBondContact O-CG 3.28Å; Y169-L173 PolarHBondContact O-N 2.86Å; L170-L173 HydrophobicContact CD2-CD1 4.37Å; L170-L173 PolarHBondContact O-N 3.26Å; L173-Y177 PolarHBondContact O-N 3.08Å; L173-L218 HydrophobicContact CB-CD1 4.29Å; L173-L222 HydrophobicContact CD1-CD1 4.49Å; L173-L222 HydrophobicContact CD1-CD2 3.93Å; L173-L222 HydrophobicContact CD1-CG 4.42Å |
| 174 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 176 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | Y88 L170 R171 L172 G176 Y177 L178 V203 H214 A217 | Y88-T174 WeakPolarHBondContact CE1-OG1 3.39Å; L170-T174 PolarHBondContact O-N 3.03Å; L170-T174 PolarHBondContact O-OG1 2.55Å; R171-T174 WeakPolarHBondContact O-CB 3.49Å; R171-T174 PolarHBondContact O-N 3.05Å; L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 PolarHBondContact O-N 3.48Å; T174-G176 PolarHBondContact O-N 3.47Å; T174-Y177 PolarHBondContact O-N 2.8Å; T174-L178 HydrophobicContact CG2-CD1 4.19Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.35Å; T174-L178 PolarHBondContact O-N 3.29Å; T174-V203 HydrophobicContact CG2-CG1 3.79Å; T174-H214 HydrophobicContact CG2-CB 4.2Å; T174-A217 HydrophobicContact CG2-CB 3.8Å |
| 175 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | R171 L172 Y177 L178 Q179 C199 E204 | R171-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-N 2.87Å; S175-Y177 PolarHBondContact O-N 2.99Å; S175-L178 PolarHBondContact O-N 2.76Å; S175-Q179 WeakPolarHBondContact O-CG 3.23Å; S175-Q179 PolarHBondContact O-N 2.75Å; S175-Q179 PolarHBondContact OG-NE2 2.71Å; S175-C199 VanDerWaalsContact OG-CB 3.22Å; S175-C199 WeakPolarHBondContact OG-CB 3.32Å; S175-C199 PolarHBondContact OG-SG 3.17Å; S175-E204 PolarHBondContact OG-OE1 2.94Å |
| 176 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E123 L172 T174 L178 Q179 R180 | E123-G176 WeakPolarHBondContact OE2-CA 3.49Å; L172-G176 PolarHBondContact O-N 2.89Å; T174-G176 PolarHBondContact O-N 3.47Å; G176-L178 PolarHBondContact O-N 2.74Å; G176-Q179 PolarHBondContact O-N 2.81Å; G176-R180 WeakPolarHBondContact O-CB 3.21Å; G176-R180 PolarHBondContact O-N 3.27Å |
| 177 | Y | 98.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.5 | -169.4 | -88 | 0 | 0 | 0 | 112.8 | L173 T174 S175 Q179 R180 E181 F185 A217 K220 A221 | L173-Y177 PolarHBondContact O-N 3.08Å; T174-Y177 PolarHBondContact O-N 2.8Å; S175-Y177 PolarHBondContact O-N 2.99Å; Y177-Q179 PolarHBondContact O-N 3.45Å; Y177-R180 PolarHBondContact O-N 2.87Å; Y177-E181 HydrophobicContact CD1-CG 4.34Å; Y177-E181 HydrophobicContact CE1-CB 4.33Å; Y177-E181 HydrophobicContact CE1-CG 3.8Å; Y177-E181 HydrophobicContact CE2-CG 4.24Å; Y177-E181 PolarHBondContact O-N 2.72Å; Y177-F185 AromaticContact CD1-CE2 3.79Å; Y177-F185 HydrophobicContact CD1-CE2 3.79Å; Y177-F185 HydrophobicContact CD1-CZ 4.11Å; Y177-F185 AromaticContact CE1-CE2 3.67Å; Y177-F185 HydrophobicContact CE1-CE2 3.67Å; Y177-F185 AromaticContact CE1-CZ 3.89Å; Y177-F185 HydrophobicContact CE1-CZ 3.89Å; Y177-A217 HydrophobicContact CD1-CB 3.96Å; Y177-K220 HydrophobicContact CD1-CB 4.27Å; Y177-K220 HydrophobicContact CD2-CB 4.25Å; Y177-K220 HydrophobicContact CE1-CB 3.58Å; Y177-K220 HydrophobicContact CE1-CG 4.17Å; Y177-K220 HydrophobicContact CE2-CB 3.61Å; Y177-K220 WeakPolarHBondContact OH-CB 3.48Å; Y177-A221 HydrophobicContact CD2-CB 3.94Å; Y177-A221 HydrophobicContact CG-CB 4.11Å |
| 178 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.9 | -72.6 | 169.9 | 0 | 0 | 0 | 111.2 | T174 S175 G176 E181 H182 F185 I195 F198 V203 I213 A217 | T174-L178 HydrophobicContact CG2-CD1 4.19Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.35Å; T174-L178 PolarHBondContact O-N 3.29Å; S175-L178 PolarHBondContact O-N 2.76Å; G176-L178 PolarHBondContact O-N 2.74Å; L178-E181 CarbonylContact O-C 3.58Å; L178-E181 PolarHBondContact O-N 3.23Å; L178-H182 WeakPolarHBondContact O-CA 3.31Å; L178-H182 PolarHBondContact O-N 3.39Å; L178-H182 VanDerWaalsContact O-N 3.08Å; L178-F185 HydrophobicContact CD2-CB 4.21Å; L178-F185 HydrophobicContact CD2-CD1 3.62Å; L178-F185 HydrophobicContact CD2-CD2 3.69Å; L178-F185 HydrophobicContact CD2-CE1 3.78Å; L178-F185 HydrophobicContact CD2-CE2 3.85Å; L178-F185 HydrophobicContact CD2-CG 3.57Å; L178-F185 HydrophobicContact CD2-CZ 3.89Å; L178-I195 HydrophobicContact CB-CG2 4.14Å; L178-I195 WeakPolarHBondContact O-CG2 3.43Å; L178-F198 HydrophobicContact CD1-CD1 4.43Å; L178-F198 HydrophobicContact CD1-CE1 4.17Å; L178-V203 HydrophobicContact CD1-CG1 4.49Å; L178-V203 HydrophobicContact CD1-CG2 3.78Å; L178-I213 HydrophobicContact CD2-CD1 4.04Å; L178-I213 HydrophobicContact CD2-CG1 3.71Å; L178-A217 HydrophobicContact CD1-CB 4.39Å; L178-A217 HydrophobicContact CD2-CB 3.7Å; L178-A217 HydrophobicContact CG-CB 3.7Å |
| 179 | Q | 97.3 | Very high | 96 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 18% | 0.178 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 179.2 | -70.8 | -175.4 | 70.8 | 0 | 0 | 112.2 | S175 G176 Y177 H182 I195 | S175-Q179 WeakPolarHBondContact O-CG 3.23Å; S175-Q179 PolarHBondContact O-N 2.75Å; S175-Q179 PolarHBondContact OG-NE2 2.71Å; G176-Q179 PolarHBondContact O-N 2.81Å; Y177-Q179 PolarHBondContact O-N 3.45Å; Q179-H182 WeakPolarHBondContact O-CB 3.34Å; Q179-H182 PolarHBondContact O-N 3Å; Q179-H182 PolarHBondContact O-ND1 3.38Å; Q179-H182 VanDerWaalsContact O-ND1 3.15Å; Q179-I195 HydrophobicContact CG-CG2 4.22Å |
| 180 | R | 96.7 | Very high | 95.3 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.2 | -176.8 | 168.4 | 66.6 | -141.3 | 11.9 | 112.2 | E123 G176 Y177 H182 | E123-R180 IonicContact OE1-CZ 3.62Å; E123-R180 IonicContact OE1-NE 3.86Å; E123-R180 IonicContact OE1-NH1 3.72Å; E123-R180 PolarHBondContact OE1-NH1 3.44Å; G176-R180 WeakPolarHBondContact O-CB 3.21Å; G176-R180 PolarHBondContact O-N 3.27Å; Y177-R180 PolarHBondContact O-N 2.87Å; R180-H182 VanDerWaalsContact C-N 3.34Å; R180-H182 PolarHBondContact O-N 2.93Å |
| 181 | E | 96 | Very high | 94.7 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 30 | -178.8 | -58.4 | -61.9 | 152.1 | 0 | 0 | 112.5 | Y177 L178 G183 F184 F185 | Y177-E181 HydrophobicContact CD1-CG 4.34Å; Y177-E181 HydrophobicContact CE1-CB 4.33Å; Y177-E181 HydrophobicContact CE1-CG 3.8Å; Y177-E181 HydrophobicContact CE2-CG 4.24Å; Y177-E181 PolarHBondContact O-N 2.72Å; L178-E181 CarbonylContact O-C 3.58Å; L178-E181 PolarHBondContact O-N 3.23Å; E181-G183 VanDerWaalsContact C-N 3.27Å; E181-G183 PolarHBondContact O-N 2.91Å; E181-G183 VanDerWaalsContact O-N 3.11Å; E181-F184 WeakPolarHBondContact O-CB 3.41Å; E181-F184 PolarHBondContact O-N 3.16Å; E181-F185 HydrophobicContact CB-CD2 3.83Å; E181-F185 HydrophobicContact CB-CE2 3.74Å; E181-F185 WeakPolarHBondContact O-CD2 3.11Å; E181-F185 PolarHBondContact O-N 3.24Å |
| 182 | H | 94.8 | Very high | 94 | Very high | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.9 | -39.8 | -171.5 | 62.9 | -79.4 | 0 | 0 | 0 | 114.1 | L178 Q179 R180 F184 F185 E186 I195 | L178-H182 WeakPolarHBondContact O-CA 3.31Å; L178-H182 PolarHBondContact O-N 3.39Å; L178-H182 VanDerWaalsContact O-N 3.08Å; Q179-H182 WeakPolarHBondContact O-CB 3.34Å; Q179-H182 PolarHBondContact O-N 3Å; Q179-H182 PolarHBondContact O-ND1 3.38Å; Q179-H182 VanDerWaalsContact O-ND1 3.15Å; R180-H182 VanDerWaalsContact C-N 3.34Å; R180-H182 PolarHBondContact O-N 2.93Å; H182-F184 PolarHBondContact O-N 3.03Å; H182-F185 PolarHBondContact O-N 3.48Å; H182-F185 VanDerWaalsContact O-N 3.14Å; H182-E186 WeakPolarHBondContact O-CB 3.43Å; H182-E186 PolarHBondContact O-N 3.11Å; H182-I195 HydrophobicContact CB-CB 4.07Å; H182-I195 HydrophobicContact CB-CG1 4Å; H182-I195 HydrophobicContact CB-CG2 4.19Å |
| 183 | G | 94.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -25.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E181 H187 | E181-G183 VanDerWaalsContact C-N 3.27Å; E181-G183 PolarHBondContact O-N 2.91Å; E181-G183 VanDerWaalsContact O-N 3.11Å; G183-H187 PolarHBondContact O-CE1 3.03Å; G183-H187 PolarHBondContact O-ND1 3.03Å |
| 184 | F | 93.5 | Very high | 93.6 | Very high | 113 Ų | 113 | 65.4 Ų | 65.4 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -75.6 | -49.5 | 170 | 175.5 | -100.8 | 0 | 0 | 0 | 110.4 | E181 H182 F188 | E181-F184 WeakPolarHBondContact O-CB 3.41Å; E181-F184 PolarHBondContact O-N 3.16Å; H182-F184 PolarHBondContact O-N 3.03Å; F184-F188 HydrophobicContact CD1-CE2 4.28Å; F184-F188 HydrophobicContact CD2-CE2 4.42Å; F184-F188 AromaticContact CE1-CE2 3.9Å; F184-F188 HydrophobicContact CE1-CE2 3.9Å; F184-F188 HydrophobicContact CE2-CE2 4.06Å; F184-F188 HydrophobicContact CE2-CZ 4.35Å; F184-F188 AromaticContact CZ-CE2 3.78Å; F184-F188 HydrophobicContact CZ-CE2 3.78Å; F184-F188 HydrophobicContact CZ-CZ 4.04Å; F184-F188 VanDerWaalsContact O-CD2 3.3Å; F184-F188 WeakPolarHBondContact O-CD2 3.15Å; F184-F188 VanDerWaalsContact O-CE2 3.24Å; F184-F188 WeakPolarHBondContact O-CE2 3.44Å |
| 185 | F | 94.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -77.4 | -22.4 | -170.4 | -71.7 | -71.3 | 0 | 0 | 0 | 115.1 | Y177 L178 E181 H182 H187 F188 I195 I213 I216 A217 | Y177-F185 AromaticContact CD1-CE2 3.79Å; Y177-F185 HydrophobicContact CD1-CE2 3.79Å; Y177-F185 HydrophobicContact CD1-CZ 4.11Å; Y177-F185 AromaticContact CE1-CE2 3.67Å; Y177-F185 HydrophobicContact CE1-CE2 3.67Å; Y177-F185 AromaticContact CE1-CZ 3.89Å; Y177-F185 HydrophobicContact CE1-CZ 3.89Å; L178-F185 HydrophobicContact CD2-CB 4.21Å; L178-F185 HydrophobicContact CD2-CD1 3.62Å; L178-F185 HydrophobicContact CD2-CD2 3.69Å; L178-F185 HydrophobicContact CD2-CE1 3.78Å; L178-F185 HydrophobicContact CD2-CE2 3.85Å; L178-F185 HydrophobicContact CD2-CG 3.57Å; L178-F185 HydrophobicContact CD2-CZ 3.89Å; E181-F185 HydrophobicContact CB-CD2 3.83Å; E181-F185 HydrophobicContact CB-CE2 3.74Å; E181-F185 WeakPolarHBondContact O-CD2 3.11Å; E181-F185 PolarHBondContact O-N 3.24Å; H182-F185 PolarHBondContact O-N 3.48Å; H182-F185 VanDerWaalsContact O-N 3.14Å; F185-H187 PolarHBondContact O-N 3.4Å; F185-F188 PolarHBondContact O-N 3.34Å; F185-I195 HydrophobicContact CB-CD1 3.43Å; F185-I195 VanDerWaalsContact CB-CD1 3.43Å; F185-I195 HydrophobicContact CB-CG1 4.39Å; F185-I213 HydrophobicContact CD1-CD1 3.97Å; F185-I213 HydrophobicContact CD1-CG1 3.84Å; F185-I213 HydrophobicContact CE1-CG1 4.11Å; F185-I216 HydrophobicContact CE1-CG2 4.29Å; F185-I216 HydrophobicContact CZ-CG2 4.2Å; F185-A217 HydrophobicContact CZ-CB 4.33Å |
| 186 | E | 93.3 | Very high | 93.3 | Very high | 101 Ų | 101 | 71.5 Ų | 71.5 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -57.7 | -26.5 | -176 | 68.4 | -176 | 167.5 | 0 | 0 | 113.5 | H182 F188 I189 I195 | H182-E186 WeakPolarHBondContact O-CB 3.43Å; H182-E186 PolarHBondContact O-N 3.11Å; E186-F188 VanDerWaalsContact C-N 3.3Å; E186-F188 PolarHBondContact O-N 2.83Å; E186-I189 VanDerWaalsContact O-CG1 3.26Å; E186-I189 WeakPolarHBondContact O-CG1 3.4Å; E186-I195 HydrophobicContact CB-CG1 4.28Å |
| 187 | H | 90.9 | Very high | 93.2 | Very high | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.667 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -79.7 | -11.8 | 179.8 | -58.7 | 90.3 | 0 | 0 | 0 | 113.6 | G183 F185 | G183-H187 PolarHBondContact O-CE1 3.03Å; G183-H187 PolarHBondContact O-ND1 3.03Å; F185-H187 PolarHBondContact O-N 3.4Å |
| 188 | F | 89.8 | Confident | 93.2 | Very high | 126 Ų | 126 | 74.6 Ų | 74.6 | 55% | 0.553 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -106.8 | -5.5 | -176 | -59.3 | -84 | 0 | 0 | 0 | 113.1 | F184 F185 E186 | F184-F188 HydrophobicContact CD1-CE2 4.28Å; F184-F188 HydrophobicContact CD2-CE2 4.42Å; F184-F188 AromaticContact CE1-CE2 3.9Å; F184-F188 HydrophobicContact CE1-CE2 3.9Å; F184-F188 HydrophobicContact CE2-CE2 4.06Å; F184-F188 HydrophobicContact CE2-CZ 4.35Å; F184-F188 AromaticContact CZ-CE2 3.78Å; F184-F188 HydrophobicContact CZ-CE2 3.78Å; F184-F188 HydrophobicContact CZ-CZ 4.04Å; F184-F188 VanDerWaalsContact O-CD2 3.3Å; F184-F188 WeakPolarHBondContact O-CD2 3.15Å; F184-F188 VanDerWaalsContact O-CE2 3.24Å; F184-F188 WeakPolarHBondContact O-CE2 3.44Å; F185-F188 PolarHBondContact O-N 3.34Å; E186-F188 VanDerWaalsContact C-N 3.3Å; E186-F188 PolarHBondContact O-N 2.83Å |
| 189 | I | 89.8 | Confident | 93.2 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | trans | -94.8 | 132.4 | 178.7 | 56.2 | 170.9 | 0 | 0 | 0 | 111.1 | E186 R193 I195 F198 I213 | E186-I189 VanDerWaalsContact O-CG1 3.26Å; E186-I189 WeakPolarHBondContact O-CG1 3.4Å; I189-R193 WeakPolarHBondContact CD1-O 3.34Å; I189-I195 HydrophobicContact CD1-CD1 3.72Å; I189-I195 HydrophobicContact CD1-CG1 3.99Å; I189-I195 HydrophobicContact CG1-CD1 4.27Å; I189-I195 HydrophobicContact CG2-CD1 3.87Å; I189-F198 HydrophobicContact CG2-CB 4.24Å; I189-F198 HydrophobicContact CG2-CD1 4.09Å; I189-F198 HydrophobicContact CG2-CD2 3.99Å; I189-F198 HydrophobicContact CG2-CE2 4.4Å; I189-F198 HydrophobicContact CG2-CG 3.82Å; I189-I213 HydrophobicContact CG2-CD1 3.86Å | ||
| 190 | E | 84.6 | Confident | 93.1 | Very high | 164 Ų | 164 | 77.5 Ų | 77.5 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -88.8 | 155.9 | 179.6 | -61.8 | -174.2 | 173.4 | 0 | 0 | 112.4 | R193 | E190-R193 PolarHBondContact O-NE 3.14Å; E190-R193 PolarHBondContact O-NH2 2.95Å |
| 191 | G | 85.1 | Confident | 93.1 | Very high | 77 Ų | 77 | 76.8 Ų | 76.8 | 79% | 0.794 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 13.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R193 | G191-R193 PolarHBondContact O-N 3.46Š|
| 192 | G | 85.6 | Confident | 93.1 | Very high | 81 Ų | 81 | 75.4 Ų | 75.4 | 84% | 0.835 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 14.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 193 | R | 92.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | trans | -69.7 | 152.6 | 173.8 | -67.2 | 178.1 | -73.7 | -176.2 | -1.2 | 110 | I189 E190 G191 E197 E202 | I189-R193 WeakPolarHBondContact CD1-O 3.34Å; E190-R193 PolarHBondContact O-NE 3.14Å; E190-R193 PolarHBondContact O-NH2 2.95Å; G191-R193 PolarHBondContact O-N 3.46Å; R193-E197 HydrophobicContact CB-CB 4.26Å; R193-E202 IonicContact NH1-OE1 2.66Å; R193-E202 PolarHBondContact NH1-OE1 2.91Å | ||
| 194 | T | 94.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | trans | -75 | 161 | 163.3 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | K196 E197 F198 | T194-K196 PolarHBondContact O-N 2.76Å; T194-E197 WeakPolarHBondContact CB-OE2 3.24Å; T194-E197 PolarHBondContact N-OE2 2.97Å; T194-E197 PolarHBondContact O-N 2.8Å; T194-E197 VanDerWaalsContact OG1-CD 3.28Å; T194-E197 VanDerWaalsContact OG1-CG 3.26Å; T194-E197 WeakPolarHBondContact OG1-CG 3.45Å; T194-E197 PolarHBondContact OG1-N 3.13Å; T194-E197 PolarHBondContact OG1-OE2 3.44Å; T194-F198 PolarHBondContact O-N 3.44Å | ||
| 195 | I | 96.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -37.6 | 175.1 | -71.5 | -72.6 | 0 | 0 | 0 | 112 | L178 Q179 H182 F185 E186 I189 F198 C199 | L178-I195 HydrophobicContact CB-CG2 4.14Å; L178-I195 WeakPolarHBondContact O-CG2 3.43Å; Q179-I195 HydrophobicContact CG-CG2 4.22Å; H182-I195 HydrophobicContact CB-CB 4.07Å; H182-I195 HydrophobicContact CB-CG1 4Å; H182-I195 HydrophobicContact CB-CG2 4.19Å; F185-I195 HydrophobicContact CB-CD1 3.43Å; F185-I195 VanDerWaalsContact CB-CD1 3.43Å; F185-I195 HydrophobicContact CB-CG1 4.39Å; E186-I195 HydrophobicContact CB-CG1 4.28Å; I189-I195 HydrophobicContact CD1-CD1 3.72Å; I189-I195 HydrophobicContact CD1-CG1 3.99Å; I189-I195 HydrophobicContact CG1-CD1 4.27Å; I189-I195 HydrophobicContact CG2-CD1 3.87Å; I195-F198 PolarHBondContact O-N 2.96Å; I195-C199 WeakPolarHBondContact O-CB 3.38Å; I195-C199 PolarHBondContact O-N 3.18Å; I195-C199 PolarHBondContact O-SG 3.39Å |
| 196 | K | 95.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 70.8 Ų | 70.8 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.3 | -172.3 | 172.2 | -176.1 | 172.5 | 0 | 112.1 | T194 F198 C199 Q200 | T194-K196 PolarHBondContact O-N 2.76Å; K196-F198 VanDerWaalsContact C-N 3.35Å; K196-C199 PolarHBondContact O-N 3.3Å; K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-N 2.86Å |
| 197 | E | 96 | Very high | 93.8 | Very high | 81 Ų | 81 | 68.4 Ų | 68.4 | 38% | 0.379 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176 | -71.9 | 162.5 | 149.6 | 0 | 0 | 111.6 | R193 T194 Q200 Q201 | R193-E197 HydrophobicContact CB-CB 4.26Å; T194-E197 WeakPolarHBondContact CB-OE2 3.24Å; T194-E197 PolarHBondContact N-OE2 2.97Å; T194-E197 PolarHBondContact O-N 2.8Å; T194-E197 VanDerWaalsContact OG1-CD 3.28Å; T194-E197 VanDerWaalsContact OG1-CG 3.26Å; T194-E197 WeakPolarHBondContact OG1-CG 3.45Å; T194-E197 PolarHBondContact OG1-N 3.13Å; T194-E197 PolarHBondContact OG1-OE2 3.44Å; E197-Q200 PolarHBondContact O-N 3.29Å; E197-Q201 WeakPolarHBondContact O-CB 3.2Å; E197-Q201 VanDerWaalsContact O-CG 3.23Å; E197-Q201 WeakPolarHBondContact O-CG 3.43Å; E197-Q201 PolarHBondContact O-N 3.07Å; E197-Q201 VanDerWaalsContact O-N 3.08Å |
| 198 | F | 96.9 | Very high | 94 | Very high | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 173.3 | 175.8 | -96.5 | 0 | 0 | 0 | 111.3 | L178 I189 T194 I195 K196 Q200 Q201 E202 V203 I213 | L178-F198 HydrophobicContact CD1-CD1 4.43Å; L178-F198 HydrophobicContact CD1-CE1 4.17Å; I189-F198 HydrophobicContact CG2-CB 4.24Å; I189-F198 HydrophobicContact CG2-CD1 4.09Å; I189-F198 HydrophobicContact CG2-CD2 3.99Å; I189-F198 HydrophobicContact CG2-CE2 4.4Å; I189-F198 HydrophobicContact CG2-CG 3.82Å; T194-F198 PolarHBondContact O-N 3.44Å; I195-F198 PolarHBondContact O-N 2.96Å; K196-F198 VanDerWaalsContact C-N 3.35Å; F198-Q200 PolarHBondContact O-N 3.17Å; F198-Q201 PolarHBondContact O-N 3.35Å; F198-E202 HydrophobicContact CD2-CB 4.23Å; F198-E202 HydrophobicContact CD2-CG 3.95Å; F198-E202 HydrophobicContact CE2-CB 3.85Å; F198-E202 HydrophobicContact CE2-CG 3.81Å; F198-E202 HydrophobicContact CZ-CB 4.06Å; F198-E202 PolarHBondContact O-N 2.98Å; F198-V203 HydrophobicContact CD1-CG2 3.93Å; F198-V203 HydrophobicContact CE1-CG2 3.55Å; F198-V203 HydrophobicContact CZ-CG2 4.37Å; F198-I213 HydrophobicContact CE1-CD1 4.13Å; F198-I213 HydrophobicContact CE1-CG2 4.16Å; F198-I213 HydrophobicContact CZ-CD1 4.44Å; F198-I213 HydrophobicContact CZ-CG2 3.84Å |
| 199 | C | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -58.5 | -47.5 | 177.5 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | S175 I195 K196 Q201 V203 E204 | S175-C199 VanDerWaalsContact OG-CB 3.22Å; S175-C199 WeakPolarHBondContact OG-CB 3.32Å; S175-C199 PolarHBondContact OG-SG 3.17Å; I195-C199 WeakPolarHBondContact O-CB 3.38Å; I195-C199 PolarHBondContact O-N 3.18Å; I195-C199 PolarHBondContact O-SG 3.39Å; K196-C199 PolarHBondContact O-N 3.3Å; C199-Q201 PolarHBondContact O-N 3.15Å; C199-V203 WeakPolarHBondContact O-CB 3.16Å; C199-V203 PolarHBondContact O-N 2.65Å; C199-V203 VanDerWaalsContact O-N 3.08Å; C199-E204 WeakPolarHBondContact O-CG 3.31Å; C199-E204 PolarHBondContact O-N 3.5Å |
| 200 | Q | 96.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -66.5 | -24.6 | -179.2 | -71.3 | 177.2 | -22.4 | 0 | 0 | 113.5 | K196 E197 F198 P205 | K196-Q200 WeakPolarHBondContact O-CG 3.49Å; K196-Q200 PolarHBondContact O-N 2.86Å; E197-Q200 PolarHBondContact O-N 3.29Å; F198-Q200 PolarHBondContact O-N 3.17Å; Q200-P205 WeakPolarHBondContact O-CD 3.06Å; Q200-P205 WeakPolarHBondContact O-CG 3.45Å |
| 201 | Q | 95.2 | Very high | 94.8 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -99.6 | -36.5 | -176.3 | -68.6 | 173.8 | 11.7 | 0 | 0 | 113.7 | E197 F198 C199 K208 | E197-Q201 WeakPolarHBondContact O-CB 3.2Å; E197-Q201 VanDerWaalsContact O-CG 3.23Å; E197-Q201 WeakPolarHBondContact O-CG 3.43Å; E197-Q201 PolarHBondContact O-N 3.07Å; E197-Q201 VanDerWaalsContact O-N 3.08Å; F198-Q201 PolarHBondContact O-N 3.35Å; C199-Q201 PolarHBondContact O-N 3.15Å; Q201-K208 WeakPolarHBondContact O-CE 3.3Å; Q201-K208 PolarHBondContact O-NZ 3.12Å; Q201-K208 VanDerWaalsContact O-NZ 3.08Å |
| 202 | E | 96.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -119.4 | -18.3 | -170 | -51.8 | -55.9 | 167.9 | 0 | 0 | 114.2 | R193 F198 K208 | R193-E202 IonicContact NH1-OE1 2.66Å; R193-E202 PolarHBondContact NH1-OE1 2.91Å; F198-E202 HydrophobicContact CD2-CB 4.23Å; F198-E202 HydrophobicContact CD2-CG 3.95Å; F198-E202 HydrophobicContact CE2-CB 3.85Å; F198-E202 HydrophobicContact CE2-CG 3.81Å; F198-E202 HydrophobicContact CZ-CB 4.06Å; F198-E202 PolarHBondContact O-N 2.98Å; E202-K208 VanDerWaalsContact O-CB 3.3Å; E202-K208 WeakPolarHBondContact O-CB 3.48Å; E202-K208 IonicContact OE1-NZ 3.03Å; E202-K208 IonicContact OE2-NZ 3.97Å; E202-K208 PolarHBondContact OE2-NZ 3.1Å |
| 203 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -107.8 | -58.9 | -173.6 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | R171 T174 L178 F198 C199 | R171-V203 VanDerWaalsContact CD-O 3.31Å; R171-V203 WeakPolarHBondContact CD-O 3.44Å; R171-V203 WeakPolarHBondContact CG-O 3.16Å; R171-V203 PolarHBondContact NH1-O 2.96Å; T174-V203 HydrophobicContact CG2-CG1 3.79Å; L178-V203 HydrophobicContact CD1-CG1 4.49Å; L178-V203 HydrophobicContact CD1-CG2 3.78Å; F198-V203 HydrophobicContact CD1-CG2 3.93Å; F198-V203 HydrophobicContact CE1-CG2 3.55Å; F198-V203 HydrophobicContact CZ-CG2 4.37Å; C199-V203 WeakPolarHBondContact O-CB 3.16Å; C199-V203 PolarHBondContact O-N 2.65Å; C199-V203 VanDerWaalsContact O-N 3.08Å |
| 204 | E | 98.2 | Very high | 95.8 | Very high | 52 Ų | 52 | 56 Ų | 56 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -66.4 | -40.7 | -173.8 | -64.8 | 171.1 | -165.2 | 0 | 0 | 113.4 | S175 C199 | S175-E204 PolarHBondContact OG-OE1 2.94Å; C199-E204 WeakPolarHBondContact O-CG 3.31Å; C199-E204 PolarHBondContact O-N 3.5Å |
| 205 | P | 97.8 | Very high | 96 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -65.6 | 140.5 | 178.4 | -20.9 | 34.2 | 0 | 0 | 0 | 112.3 | R171 Q200 K208 | R171-P205 PolarHBondContact NH1-O 2.91Å; Q200-P205 WeakPolarHBondContact O-CD 3.06Å; Q200-P205 WeakPolarHBondContact O-CG 3.45Å; P205-K208 HydrophobicContact CB-CG 3.96Å |
| 206 | M | 97.2 | Very high | 96 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 154 | 173.2 | -72 | -66.6 | -79.8 | 0 | 0 | 111.3 | D164 V167 V168 K208 | D164-M206 HydrophobicContact CB-CE 3.92Å; V167-M206 HydrophobicContact CB-CE 4.16Å; V167-M206 HydrophobicContact CB-SD 4.4Å; V167-M206 HydrophobicContact CG1-CE 3.77Å; V167-M206 HydrophobicContact CG1-SD 3.64Å; V168-M206 HydrophobicContact CG2-CE 4.26Å; V168-M206 HydrophobicContact CG2-CG 4Å; V168-M206 HydrophobicContact CG2-SD 3.48Å; V168-M206 WeakPolarHBondContact CG2-SD 3.32Å; M206-K208 PolarHBondContact O-N 3.47Å; M206-K208 VanDerWaalsContact O-N 3.12Å |
| 207 | S | 94.8 | Very high | 96 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 13.6 | 174.1 | -46 | 0 | 0 | 0 | 0 | 114.7 | D83 N85 | D83-S207 WeakPolarHBondContact O-CA 3.06Å; D83-S207 VanDerWaalsContact O-CB 3.32Å; D83-S207 WeakPolarHBondContact O-CB 3.39Å; D83-S207 PolarHBondContact O-OG 3.32Å; N85-S207 PolarHBondContact OD1-N 3.06Å |
| 208 | K | 95.1 | Very high | 96.2 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | trans | -84.4 | 131.9 | 168.7 | -74.6 | -67.2 | -164.6 | 139.8 | 0 | 111.6 | G84 R171 Q201 E202 P205 M206 | G84-K208 CarbonylContact O-C 3.54Å; R171-K208 PolarHBondContact NH1-O 3.14Å; R171-K208 PolarHBondContact NH2-O 3.17Å; Q201-K208 WeakPolarHBondContact O-CE 3.3Å; Q201-K208 PolarHBondContact O-NZ 3.12Å; Q201-K208 VanDerWaalsContact O-NZ 3.08Å; E202-K208 VanDerWaalsContact O-CB 3.3Å; E202-K208 WeakPolarHBondContact O-CB 3.48Å; E202-K208 IonicContact OE1-NZ 3.03Å; E202-K208 IonicContact OE2-NZ 3.97Å; E202-K208 PolarHBondContact OE2-NZ 3.1Å; P205-K208 HydrophobicContact CB-CG 3.96Å; M206-K208 PolarHBondContact O-N 3.47Å; M206-K208 VanDerWaalsContact O-N 3.12Å | ||
| 209 | E | 93.8 | Very high | 96.2 | Very high | 139 Ų | 139 | 43.6 Ų | 43.6 | 65% | 0.65 | 22% | 0.218 | S | C | * | . | trans | -58.1 | 149 | -179.4 | -64.3 | -173.6 | 169.3 | 0 | 0 | 112.1 | ||||
| 210 | S | 95.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | trans | -114.7 | 126 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | Y88 Y261 | Y88-S210 WeakPolarHBondContact CE2-OG 3.42Å; S210-Y261 VanDerWaalsContact O-CE2 3.22Å; S210-Y261 WeakPolarHBondContact O-CE2 3.37Å; S210-Y261 PolarHBondContact O-OH 3.36Å | ||
| 211 | D | 91.3 | Very high | 96.2 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | trans | -113.8 | -179 | 171.9 | -164.3 | 13.3 | 0 | 0 | 0 | 111.6 | I213 H214 I215 | D211-I213 VanDerWaalsContact C-N 3.25Å; D211-I213 PolarHBondContact O-N 3.27Å; D211-H214 PolarHBondContact N-ND1 3.14Å; D211-H214 VanDerWaalsContact O-CB 3.3Å; D211-H214 WeakPolarHBondContact O-CB 3.42Å; D211-H214 PolarHBondContact O-N 2.96Å; D211-H214 PolarHBondContact O-ND1 3.49Å; D211-I215 PolarHBondContact O-N 3.04Å | ||
| 212 | H | 93 | Very high | 96.3 | Very high | 76 Ų | 76 | 40.5 Ų | 40.5 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -38.2 | -45.4 | -178.2 | -166.2 | 171.3 | 0 | 0 | 0 | 114.7 | H214 I215 I216 F244 | H212-H214 VanDerWaalsContact C-N 3.29Å; H212-H214 PolarHBondContact O-N 3.33Å; H212-I215 PolarHBondContact O-N 3.05Å; H212-I215 VanDerWaalsContact O-N 3.13Å; H212-I216 WeakPolarHBondContact CD2-CD1 3.11Å; H212-I216 VanDerWaalsContact NE2-CD1 3.25Å; H212-I216 WeakPolarHBondContact NE2-CD1 3.12Å; H212-I216 PolarHBondContact O-N 3.23Å; H212-F244 AromaticContact CD2-CE1 3.35Å; H212-F244 WeakPolarHBondContact CD2-CE1 3.47Å; H212-F244 AromaticContact CD2-CZ 3.57Å; H212-F244 AromaticContact CE1-CE1 3.82Å; H212-F244 AromaticContact NE2-CD1 3.76Å; H212-F244 AromaticContact NE2-CE1 2.93Å; H212-F244 WeakPolarHBondContact NE2-CE1 3.42Å; H212-F244 AromaticContact NE2-CZ 3.5Å |
| 213 | I | 95.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -39.1 | 178.8 | -171 | 167.1 | 0 | 0 | 0 | 112.8 | L178 F185 I189 F198 D211 A217 | L178-I213 HydrophobicContact CD2-CD1 4.04Å; L178-I213 HydrophobicContact CD2-CG1 3.71Å; F185-I213 HydrophobicContact CD1-CD1 3.97Å; F185-I213 HydrophobicContact CD1-CG1 3.84Å; F185-I213 HydrophobicContact CE1-CG1 4.11Å; I189-I213 HydrophobicContact CG2-CD1 3.86Å; F198-I213 HydrophobicContact CE1-CD1 4.13Å; F198-I213 HydrophobicContact CE1-CG2 4.16Å; F198-I213 HydrophobicContact CZ-CD1 4.44Å; F198-I213 HydrophobicContact CZ-CG2 3.84Å; D211-I213 VanDerWaalsContact C-N 3.25Å; D211-I213 PolarHBondContact O-N 3.27Å; I213-A217 VanDerWaalsContact O-CB 3.3Å; I213-A217 WeakPolarHBondContact O-CB 3.25Å; I213-A217 PolarHBondContact O-N 3.06Å |
| 214 | H | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.1 | -40.4 | 177.6 | -51.4 | 83.9 | 0 | 0 | 0 | 111 | F87 Y88 T174 D211 H212 A217 L218 | F87-H214 HydrophobicContact CE1-CB 4.39Å; Y88-H214 PolarHBondContact OH-CD2 3Å; T174-H214 HydrophobicContact CG2-CB 4.2Å; D211-H214 PolarHBondContact N-ND1 3.14Å; D211-H214 VanDerWaalsContact O-CB 3.3Å; D211-H214 WeakPolarHBondContact O-CB 3.42Å; D211-H214 PolarHBondContact O-N 2.96Å; D211-H214 PolarHBondContact O-ND1 3.49Å; H212-H214 VanDerWaalsContact C-N 3.29Å; H212-H214 PolarHBondContact O-N 3.33Å; H214-A217 PolarHBondContact O-N 3.33Å; H214-L218 WeakPolarHBondContact O-CB 3.17Å; H214-L218 PolarHBondContact O-N 3.46Å |
| 215 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | -179.5 | -46.2 | -179.9 | 0 | 0 | 0 | 110.4 | F87 D211 H212 A219 I226 V228 F244 Y261 | F87-I215 HydrophobicContact CD2-CG1 4.17Å; F87-I215 HydrophobicContact CE1-CG1 4.49Å; F87-I215 HydrophobicContact CE2-CB 4.16Å; F87-I215 HydrophobicContact CE2-CD1 4.41Å; F87-I215 HydrophobicContact CE2-CG1 3.72Å; F87-I215 HydrophobicContact CE2-CG2 3.93Å; F87-I215 HydrophobicContact CZ-CB 4.06Å; F87-I215 HydrophobicContact CZ-CG1 3.91Å; F87-I215 HydrophobicContact CZ-CG2 4.07Å; D211-I215 PolarHBondContact O-N 3.04Å; H212-I215 PolarHBondContact O-N 3.05Å; H212-I215 VanDerWaalsContact O-N 3.13Å; I215-A219 WeakPolarHBondContact O-CB 3.43Å; I215-A219 PolarHBondContact O-N 2.95Å; I215-I226 HydrophobicContact CG2-CD1 3.89Å; I215-I226 HydrophobicContact CG2-CG2 4.44Å; I215-V228 HydrophobicContact CD1-CG2 4.12Å; I215-V228 HydrophobicContact CG2-CG2 4.44Å; I215-F244 HydrophobicContact CB-CD2 4.3Å; I215-F244 HydrophobicContact CD1-CE2 4.29Å; I215-F244 HydrophobicContact CG2-CB 4.2Å; I215-F244 HydrophobicContact CG2-CD2 3.49Å; I215-F244 VanDerWaalsContact CG2-CD2 3.49Å; I215-F244 HydrophobicContact CG2-CE2 4.12Å; I215-F244 HydrophobicContact CG2-CG 4Å; I215-Y261 HydrophobicContact CD1-CE1 3.94Å |
| 216 | I | 96.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 177.1 | -70 | 164.2 | 0 | 0 | 0 | 110.3 | F185 H212 L218 A219 K220 F244 | F185-I216 HydrophobicContact CE1-CG2 4.29Å; F185-I216 HydrophobicContact CZ-CG2 4.2Å; H212-I216 WeakPolarHBondContact CD2-CD1 3.11Å; H212-I216 VanDerWaalsContact NE2-CD1 3.25Å; H212-I216 WeakPolarHBondContact NE2-CD1 3.12Å; H212-I216 PolarHBondContact O-N 3.23Å; I216-L218 PolarHBondContact O-N 3.45Å; I216-A219 PolarHBondContact O-N 3.29Å; I216-K220 HydrophobicContact CG2-CG 4.2Å; I216-K220 WeakPolarHBondContact O-CB 3.47Å; I216-K220 VanDerWaalsContact O-CG 3.27Å; I216-K220 WeakPolarHBondContact O-CG 3.43Å; I216-K220 PolarHBondContact O-N 3.38Å; I216-F244 HydrophobicContact CD1-CD1 4.49Å; I216-F244 HydrophobicContact CG1-CD1 3.79Å; I216-F244 HydrophobicContact CG1-CE1 4.38Å; I216-F244 HydrophobicContact CG1-CG 4.44Å |
| 217 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T174 Y177 L178 F185 I213 H214 K220 A221 | T174-A217 HydrophobicContact CG2-CB 3.8Å; Y177-A217 HydrophobicContact CD1-CB 3.96Å; L178-A217 HydrophobicContact CD1-CB 4.39Å; L178-A217 HydrophobicContact CD2-CB 3.7Å; L178-A217 HydrophobicContact CG-CB 3.7Å; F185-A217 HydrophobicContact CZ-CB 4.33Å; I213-A217 VanDerWaalsContact O-CB 3.3Å; I213-A217 WeakPolarHBondContact O-CB 3.25Å; I213-A217 PolarHBondContact O-N 3.06Å; H214-A217 PolarHBondContact O-N 3.33Å; A217-K220 PolarHBondContact O-N 2.98Å; A217-A221 VanDerWaalsContact O-CB 3.24Å; A217-A221 WeakPolarHBondContact O-CB 3.23Å; A217-A221 PolarHBondContact O-N 3.24Å |
| 218 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 178.5 | -173.4 | 59.4 | 0 | 0 | 0 | 112.3 | F87 Y88 F91 L170 L173 H214 I216 K220 A221 L222 | F87-L218 HydrophobicContact CE1-CB 4.44Å; F87-L218 HydrophobicContact CE1-CD2 3.74Å; F87-L218 HydrophobicContact CZ-CB 4.48Å; F87-L218 HydrophobicContact CZ-CD2 3.92Å; Y88-L218 HydrophobicContact CD1-CD2 3.88Å; Y88-L218 HydrophobicContact CE1-CD2 4.1Å; F91-L218 HydrophobicContact CD1-CD2 3.52Å; F91-L218 HydrophobicContact CD1-CG 4.29Å; F91-L218 HydrophobicContact CD2-CD2 4.41Å; F91-L218 HydrophobicContact CE1-CD1 4.48Å; F91-L218 HydrophobicContact CE1-CD2 3.75Å; F91-L218 HydrophobicContact CE1-CG 4.02Å; F91-L218 HydrophobicContact CG-CD2 3.88Å; F91-L218 HydrophobicContact CZ-CD2 4.29Å; F91-L218 HydrophobicContact CZ-CG 4.23Å; L170-L218 HydrophobicContact CB-CD1 4.4Å; L170-L218 HydrophobicContact CB-CD2 4.49Å; L170-L218 HydrophobicContact CD2-CD1 4.09Å; L173-L218 HydrophobicContact CB-CD1 4.29Å; H214-L218 WeakPolarHBondContact O-CB 3.17Å; H214-L218 PolarHBondContact O-N 3.46Å; I216-L218 PolarHBondContact O-N 3.45Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.12Å; L218-A221 PolarHBondContact O-N 2.9Å; L218-L222 HydrophobicContact CD1-CD1 3.7Å; L218-L222 HydrophobicContact CD1-CG 4.31Å; L218-L222 HydrophobicContact CG-CD1 4.23Å; L218-L222 PolarHBondContact O-N 3.4Å; L218-L222 VanDerWaalsContact O-N 3.08Å |
| 219 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I215 I216 N223 V224 I226 F244 | I215-A219 WeakPolarHBondContact O-CB 3.43Å; I215-A219 PolarHBondContact O-N 2.95Å; I216-A219 PolarHBondContact O-N 3.29Å; A219-N223 WeakPolarHBondContact O-CA 3.28Å; A219-N223 PolarHBondContact O-N 2.97Å; A219-V224 HydrophobicContact CB-CG2 4.4Å; A219-V224 PolarHBondContact O-N 3.4Å; A219-I226 HydrophobicContact CB-CD1 3.85Å; A219-I226 HydrophobicContact CB-CG1 4.27Å; A219-F244 HydrophobicContact CB-CB 4.39Å |
| 220 | K | 96.6 | Very high | 96.4 | Very high | 97 Ų | 97 | 27.9 Ų | 27.9 | 42% | 0.422 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -71.3 | -38.7 | 176.8 | -70.9 | -72.4 | -165.4 | -176.9 | 0 | 112.8 | Y177 I216 A217 L218 L222 N223 P245 | Y177-K220 HydrophobicContact CD1-CB 4.27Å; Y177-K220 HydrophobicContact CD2-CB 4.25Å; Y177-K220 HydrophobicContact CE1-CB 3.58Å; Y177-K220 HydrophobicContact CE1-CG 4.17Å; Y177-K220 HydrophobicContact CE2-CB 3.61Å; Y177-K220 WeakPolarHBondContact OH-CB 3.48Å; I216-K220 HydrophobicContact CG2-CG 4.2Å; I216-K220 WeakPolarHBondContact O-CB 3.47Å; I216-K220 VanDerWaalsContact O-CG 3.27Å; I216-K220 WeakPolarHBondContact O-CG 3.43Å; I216-K220 PolarHBondContact O-N 3.38Å; A217-K220 PolarHBondContact O-N 2.98Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.12Å; K220-L222 VanDerWaalsContact C-N 3.28Å; K220-L222 PolarHBondContact O-N 2.95Å; K220-N223 PolarHBondContact O-N 3.48Å; K220-P245 HydrophobicContact CD-CB 4.39Å |
| 221 | A | 97.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y177 A217 L218 | Y177-A221 HydrophobicContact CD2-CB 3.94Å; Y177-A221 HydrophobicContact CG-CB 4.11Å; A217-A221 VanDerWaalsContact O-CB 3.24Å; A217-A221 WeakPolarHBondContact O-CB 3.23Å; A217-A221 PolarHBondContact O-N 3.24Å; L218-A221 PolarHBondContact O-N 2.9Å |
| 222 | L | 97 | Very high | 96.3 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -96.2 | -2.6 | -177.7 | -67.7 | 171.9 | 0 | 0 | 0 | 113.8 | F91 F109 V112 L170 L173 L218 K220 V224 | F91-L222 HydrophobicContact CE1-CD1 3.52Å; F91-L222 HydrophobicContact CZ-CD1 3.62Å; F109-L222 HydrophobicContact CE2-CB 4.3Å; F109-L222 HydrophobicContact CE2-CD1 4.17Å; F109-L222 HydrophobicContact CE2-CD2 3.94Å; F109-L222 HydrophobicContact CE2-CG 4.37Å; V112-L222 HydrophobicContact CG1-CD2 4.31Å; L170-L222 HydrophobicContact CD2-CD1 4.02Å; L173-L222 HydrophobicContact CD1-CD1 4.49Å; L173-L222 HydrophobicContact CD1-CD2 3.93Å; L173-L222 HydrophobicContact CD1-CG 4.42Å; L218-L222 HydrophobicContact CD1-CD1 3.7Å; L218-L222 HydrophobicContact CD1-CG 4.31Å; L218-L222 HydrophobicContact CG-CD1 4.23Å; L218-L222 PolarHBondContact O-N 3.4Å; L218-L222 VanDerWaalsContact O-N 3.08Å; K220-L222 VanDerWaalsContact C-N 3.28Å; K220-L222 PolarHBondContact O-N 2.95Å; L222-V224 HydrophobicContact CB-CG1 4.1Å; L222-V224 HydrophobicContact CB-CG2 4.15Å |
| 223 | N | 95.2 | Very high | 96 | Very high | 132 Ų | 132 | 30 Ų | 30 | 71% | 0.706 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 49.9 | -176.1 | -172.4 | 55.5 | 0 | 0 | 0 | 112.8 | A219 K220 | A219-N223 WeakPolarHBondContact O-CA 3.28Å; A219-N223 PolarHBondContact O-N 2.97Å; K220-N223 PolarHBondContact O-N 3.48Å |
| 224 | V | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 30 Ų | 30 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | trans | -122.5 | 159.6 | -179 | -60.7 | 0 | 0 | 0 | 0 | 111 | F91 H95 A219 L222 I226 P245 | F91-V224 HydrophobicContact CE2-CG2 3.68Å; F91-V224 HydrophobicContact CZ-CG2 3.77Å; H95-V224 VanDerWaalsContact NE2-CG1 3.29Å; H95-V224 WeakPolarHBondContact NE2-CG1 3.36Å; A219-V224 HydrophobicContact CB-CG2 4.4Å; A219-V224 PolarHBondContact O-N 3.4Å; L222-V224 HydrophobicContact CB-CG1 4.1Å; L222-V224 HydrophobicContact CB-CG2 4.15Å; V224-I226 HydrophobicContact CG2-CG1 4.47Å; V224-P245 WeakPolarHBondContact O-CD 3.49Å | ||
| 225 | S | 96.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | trans | -112.4 | 126.4 | 176.4 | -170 | 0 | 0 | 0 | 0 | 111 | I243 F244 G248 D249 P250 | S225-I243 WeakPolarHBondContact OG-CG2 3.27Å; S225-F244 CarbonylContact C-O 3.2Å; S225-F244 VanDerWaalsContact CA-O 3.29Å; S225-F244 WeakPolarHBondContact CA-O 3.28Å; S225-G248 WeakPolarHBondContact OG-CA 3.4Å; S225-D249 PolarHBondContact OG-N 3.45Å; S225-P250 WeakPolarHBondContact O-CA 3.31Å | ||
| 226 | I | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.8 | -178.6 | -51.9 | 170 | 0 | 0 | 0 | 108.3 | F91 I215 A219 V224 V228 I243 F244 I252 L254 | F91-I226 HydrophobicContact CD2-CD1 3.46Å; F91-I226 VanDerWaalsContact CD2-CD1 3.46Å; F91-I226 HydrophobicContact CD2-CG1 4.02Å; F91-I226 HydrophobicContact CE2-CD1 3.51Å; F91-I226 HydrophobicContact CE2-CG1 3.91Å; I215-I226 HydrophobicContact CG2-CD1 3.89Å; I215-I226 HydrophobicContact CG2-CG2 4.44Å; A219-I226 HydrophobicContact CB-CD1 3.85Å; A219-I226 HydrophobicContact CB-CG1 4.27Å; V224-I226 HydrophobicContact CG2-CG1 4.47Å; I226-V228 HydrophobicContact CG2-CG2 4.03Å; I226-I243 CarbonylContact O-C 3.53Å; I226-I243 WeakPolarHBondContact O-CA 3.13Å; I226-F244 PolarHBondContact N-O 3.12Å; I226-F244 PolarHBondContact O-N 2.89Å; I226-I252 HydrophobicContact CG1-CD1 4.14Å; I226-I252 HydrophobicContact CG2-CB 4.43Å; I226-I252 HydrophobicContact CG2-CG2 4.16Å; I226-L254 HydrophobicContact CG2-CD1 4Å; I226-L254 HydrophobicContact CG2-CG 4.21Å |
| 227 | L | 98.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.8 | 166.4 | -176.9 | 159.7 | 0 | 0 | 0 | 109.1 | Y74 E229 N241 H242 I243 P250 I252 F253 L254 | Y74-L227 WeakPolarHBondContact OH-CD2 3.35Å; L227-E229 HydrophobicContact CD2-CG 3.73Å; L227-N241 HydrophobicContact CD2-CB 4.04Å; L227-N241 HydrophobicContact CG-CB 4.37Å; L227-H242 WeakPolarHBondContact CA-O 3.43Å; L227-I243 HydrophobicContact CB-CG1 4.4Å; L227-I243 HydrophobicContact CD1-CD1 4.4Å; L227-I243 HydrophobicContact CD1-CG1 4.08Å; L227-I243 HydrophobicContact CG-CG1 4.2Å; L227-P250 HydrophobicContact CB-CB 3.65Å; L227-P250 HydrophobicContact CB-CG 3.72Å; L227-P250 HydrophobicContact CD1-CG 4.03Å; L227-I252 PolarHBondContact N-O 3.17Å; L227-F253 HydrophobicContact CB-CD1 3.96Å; L227-F253 HydrophobicContact CB-CE1 4.41Å; L227-F253 HydrophobicContact CD1-CD1 4.24Å; L227-F253 HydrophobicContact CD1-CE1 4.34Å; L227-F253 HydrophobicContact CD2-CD1 4.23Å; L227-F253 HydrophobicContact CG-CD1 4.38Å; L227-F253 CarbonylContact O-C 3.55Å; L227-F253 WeakPolarHBondContact O-CA 3.38Å; L227-L254 PolarHBondContact O-N 3.11Å |
| 228 | V | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.5 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | I215 I226 Y230 N241 H242 F244 L254 Y261 | I215-V228 HydrophobicContact CD1-CG2 4.12Å; I215-V228 HydrophobicContact CG2-CG2 4.44Å; I226-V228 HydrophobicContact CG2-CG2 4.03Å; V228-Y230 HydrophobicContact CB-CD2 4.19Å; V228-Y230 HydrophobicContact CB-CE2 3.63Å; V228-Y230 HydrophobicContact CG1-CD2 3.86Å; V228-Y230 HydrophobicContact CG1-CE2 3.48Å; V228-Y230 VanDerWaalsContact CG1-CE2 3.48Å; V228-Y230 WeakPolarHBondContact O-CD2 3.42Å; V228-N241 VanDerWaalsContact O-CA 3.24Å; V228-N241 WeakPolarHBondContact O-CA 3.39Å; V228-H242 PolarHBondContact N-O 2.89Å; V228-H242 PolarHBondContact O-N 3.42Å; V228-F244 HydrophobicContact CB-CE2 4.14Å; V228-F244 HydrophobicContact CG2-CD2 3.98Å; V228-F244 HydrophobicContact CG2-CE2 3.78Å; V228-L254 CarbonylContact C-O 3.53Å; V228-L254 WeakPolarHBondContact CA-O 3.4Å; V228-L254 HydrophobicContact CG2-CB 4.36Å; V228-Y261 HydrophobicContact CG1-CE1 4.16Å |
| 229 | E | 97.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.4 | 170.1 | -69.4 | -78 | 154 | 0 | 0 | 108.3 | L70 K73 Y74 L227 V239 N240 N241 L254 L255 Y256 L264 | L70-E229 HydrophobicContact CD1-CB 4.17Å; L70-E229 HydrophobicContact CD1-CG 4.17Å; K73-E229 IonicContact NZ-OE1 2.75Å; K73-E229 IonicContact NZ-OE2 3.04Å; K73-E229 PolarHBondContact NZ-OE2 2.94Å; Y74-E229 HydrophobicContact CE2-CG 3.6Å; Y74-E229 PolarHBondContact OH-OE1 3.48Å; L227-E229 HydrophobicContact CD2-CG 3.73Å; E229-V239 HydrophobicContact CB-CG1 3.72Å; E229-V239 WeakPolarHBondContact OE2-CB 3.19Å; E229-V239 WeakPolarHBondContact OE2-CG1 2.96Å; E229-N240 CarbonylContact C-O 3.58Å; E229-N240 WeakPolarHBondContact CA-O 3.44Å; E229-N241 HydrophobicContact CG-CB 4.42Å; E229-N241 WeakPolarHBondContact OE1-CB 3.34Å; E229-N241 PolarHBondContact OE1-ND2 3.08Å; E229-L254 PolarHBondContact N-O 3.28Å; E229-L255 HydrophobicContact CB-CD1 4.38Å; E229-Y256 PolarHBondContact O-N 2.92Å; E229-L264 HydrophobicContact CB-CD1 3.96Å; E229-L264 HydrophobicContact CG-CD1 3.9Å |
| 230 | Y | 95 | Very high | 91.3 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 103 | -177.6 | -75.2 | -102.9 | 0 | 0 | 0 | 110.7 | V228 D232 V239 N240 H242 Y256 | V228-Y230 HydrophobicContact CB-CD2 4.19Å; V228-Y230 HydrophobicContact CB-CE2 3.63Å; V228-Y230 HydrophobicContact CG1-CD2 3.86Å; V228-Y230 HydrophobicContact CG1-CE2 3.48Å; V228-Y230 VanDerWaalsContact CG1-CE2 3.48Å; V228-Y230 WeakPolarHBondContact O-CD2 3.42Å; Y230-D232 PolarHBondContact O-N 2.99Å; Y230-V239 WeakPolarHBondContact O-CG1 3.43Å; Y230-N240 PolarHBondContact N-O 3.23Å; Y230-H242 AromaticContact CD2-CD2 3.52Å; Y230-H242 HydrophobicContact CE2-CB 4.15Å; Y230-H242 AromaticContact CE2-CD2 3.47Å; Y230-H242 VanDerWaalsContact CE2-CD2 3.47Å; Y230-H242 WeakPolarHBondContact CE2-CD2 3.19Å; Y230-Y256 AromaticContact CD1-CD1 3.33Å; Y230-Y256 HydrophobicContact CD1-CD1 3.33Å; Y230-Y256 HydrophobicContact CD1-CE1 4Å; Y230-Y256 AromaticContact CD1-CG 3.86Å; Y230-Y256 HydrophobicContact CD1-CG 3.86Å; Y230-Y256 AromaticContact CE1-CD1 3.76Å; Y230-Y256 HydrophobicContact CE1-CD1 3.76Å; Y230-Y256 HydrophobicContact CE1-CE1 4.29Å; Y230-Y256 AromaticContact CE1-CG 3.95Å; Y230-Y256 HydrophobicContact CE1-CG 3.95Å; Y230-Y256 HydrophobicContact CG-CD1 4.2Å |
| 231 | M | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -98.8 | 80.8 | 176.5 | -167.5 | 174.4 | 70.2 | 0 | 0 | 110.4 | Y56 Y63 K66 L67 V239 L255 Y256 R257 | Y56-M231 HydrophobicContact CE1-CE 4.44Å; Y56-M231 HydrophobicContact CE2-CE 3.68Å; Y56-M231 VanDerWaalsContact CZ-CE 3.49Å; Y56-M231 WeakPolarHBondContact OH-CE 3.28Å; Y63-M231 HydrophobicContact CD1-CE 4.28Å; Y63-M231 HydrophobicContact CD1-CG 3.95Å; Y63-M231 HydrophobicContact CD1-SD 4.29Å; Y63-M231 HydrophobicContact CE1-CG 4.06Å; K66-M231 HydrophobicContact CB-CG 4Å; K66-M231 HydrophobicContact CB-SD 4.3Å; K66-M231 HydrophobicContact CD-CG 4.17Å; L67-M231 HydrophobicContact CD2-CE 4.25Å; L67-M231 HydrophobicContact CD2-SD 3.88Å; L67-M231 HydrophobicContact CG-SD 4.25Å; M231-V239 HydrophobicContact CB-CG1 4.35Å; M231-L255 HydrophobicContact CB-CD1 3.86Å; M231-Y256 PolarHBondContact N-O 3.44Å; M231-R257 HydrophobicContact CE-CG 3.89Å | ||
| 232 | D | 89.2 | Confident | 91.1 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -112.9 | -168.8 | 176.9 | 64.3 | 8.7 | 0 | 0 | 0 | 112 | K66 Y230 G234 | K66-D232 VanDerWaalsContact CD-O 3.32Å; K66-D232 WeakPolarHBondContact CD-O 3.48Å; K66-D232 VanDerWaalsContact CE-O 3.28Å; K66-D232 WeakPolarHBondContact CE-O 3.49Å; K66-D232 PolarHBondContact NZ-O 3.34Å; K66-D232 IonicContact NZ-OD1 2.72Å; K66-D232 PolarHBondContact NZ-OD1 3Å; Y230-D232 PolarHBondContact O-N 2.99Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 WeakPolarHBondContact OD1-CA 3.25Å; D232-G234 PolarHBondContact OD1-N 3.17Å |
| 233 | R | 86.9 | Confident | 91.1 | Very high | 174 Ų | 174 | 51.6 Ų | 51.6 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -90.3 | 18.6 | 171.5 | -72 | -170.1 | 165.9 | -171.8 | -1.9 | 113.9 | D60 Y63 | D60-R233 IonicContact OD2-CZ 3.69Å; D60-R233 IonicContact OD2-NH2 2.66Å; D60-R233 PolarHBondContact OD2-NH2 3.49Å; Y63-R233 HydrophobicContact CE2-CG 3.9Å |
| 234 | G | 79.8 | Confident | 91.1 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | trans | -58.6 | 155.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K66 D232 | K66-G234 PolarHBondContact NZ-O 3.4Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 WeakPolarHBondContact OD1-CA 3.25Å; D232-G234 PolarHBondContact OD1-N 3.17Å | ||
| 235 | E | 75.3 | Confident | 90.9 | Very high | 192 Ų | 192 | 46.7 Ų | 46.7 | 90% | 0.897 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -58 | 143.3 | -175.1 | -63.6 | -173.8 | 170 | 0 | 0 | 112.7 | ||
| 236 | G | 78.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 98.4 | 167.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 237 | G | 78.2 | Confident | 90.2 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -96.1 | 0.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L65 K66 | L65-G237 CarbonylContact C-O 3.55Å; L65-G237 VanDerWaalsContact C-O 3.28Å; K66-G237 PolarHBondContact N-O 3.13Å |
| 238 | S | 87.6 | Confident | 89.9 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -101.9 | 153.4 | -178.5 | 51 | 0 | 0 | 0 | 0 | 111.7 | K66 | K66-S238 WeakPolarHBondContact CE-O 3.39Š|
| 239 | V | 91 | Very high | 89.7 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -82 | 125.2 | 171.2 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | K66 D69 L70 K73 E229 Y230 M231 | K66-V239 HydrophobicContact CB-CG2 3.84Å; K66-V239 HydrophobicContact CG-CG2 4.31Å; K66-V239 VanDerWaalsContact O-CG2 3.29Å; K66-V239 WeakPolarHBondContact O-CG2 3.3Å; D69-V239 PolarHBondContact OD2-N 3.5Å; L70-V239 HydrophobicContact CB-CG2 4.24Å; L70-V239 HydrophobicContact CD1-CG1 4.45Å; L70-V239 HydrophobicContact CD1-CG2 4.29Å; K73-V239 PolarHBondContact NZ-O 2.92Å; E229-V239 HydrophobicContact CB-CG1 3.72Å; E229-V239 WeakPolarHBondContact OE2-CB 3.19Å; E229-V239 WeakPolarHBondContact OE2-CG1 2.96Å; Y230-V239 WeakPolarHBondContact O-CG1 3.43Å; M231-V239 HydrophobicContact CB-CG1 4.35Å |
| 240 | N | 91.9 | Very high | 89.5 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 146.2 | 175.7 | -67.6 | -33 | 0 | 0 | 0 | 108.9 | E229 Y230 | E229-N240 CarbonylContact C-O 3.58Å; E229-N240 WeakPolarHBondContact CA-O 3.44Å; Y230-N240 PolarHBondContact N-O 3.23Å |
| 241 | N | 93.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.9 | 173.7 | 65.1 | 35.9 | 0 | 0 | 0 | 112.7 | L227 V228 E229 | L227-N241 HydrophobicContact CD2-CB 4.04Å; L227-N241 HydrophobicContact CG-CB 4.37Å; V228-N241 VanDerWaalsContact O-CA 3.24Å; V228-N241 WeakPolarHBondContact O-CA 3.39Å; E229-N241 HydrophobicContact CG-CB 4.42Å; E229-N241 WeakPolarHBondContact OE1-CB 3.34Å; E229-N241 PolarHBondContact OE1-ND2 3.08Å |
| 242 | H | 95.6 | Very high | 89.7 | Confident | 89 Ų | 89 | 71 Ų | 71 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.8 | 175.8 | -64.4 | -84.2 | 0 | 0 | 0 | 109.1 | L227 V228 Y230 F244 | L227-H242 WeakPolarHBondContact CA-O 3.43Å; V228-H242 PolarHBondContact N-O 2.89Å; V228-H242 PolarHBondContact O-N 3.42Å; Y230-H242 AromaticContact CD2-CD2 3.52Å; Y230-H242 HydrophobicContact CE2-CB 4.15Å; Y230-H242 AromaticContact CE2-CD2 3.47Å; Y230-H242 VanDerWaalsContact CE2-CD2 3.47Å; Y230-H242 WeakPolarHBondContact CE2-CD2 3.19Å; H242-F244 HydrophobicContact CB-CE1 3.86Å; H242-F244 HydrophobicContact CB-CE2 3.75Å; H242-F244 HydrophobicContact CB-CZ 3.29Å |
| 243 | I | 96.8 | Very high | 90.1 | Very high | 49 Ų | 49 | 70 Ų | 70 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.8 | 176.2 | -56.5 | 177.9 | 0 | 0 | 0 | 107.9 | S225 I226 L227 P245 E246 P250 | S225-I243 WeakPolarHBondContact OG-CG2 3.27Å; I226-I243 CarbonylContact O-C 3.53Å; I226-I243 WeakPolarHBondContact O-CA 3.13Å; L227-I243 HydrophobicContact CB-CG1 4.4Å; L227-I243 HydrophobicContact CD1-CD1 4.4Å; L227-I243 HydrophobicContact CD1-CG1 4.08Å; L227-I243 HydrophobicContact CG-CG1 4.2Å; I243-P245 CarbonylContact C-O 3.6Å; I243-P245 WeakPolarHBondContact CG2-O 3.4Å; I243-P245 CarbonylContact O-C 3.42Å; I243-E246 WeakPolarHBondContact O-CA 3.37Å; I243-E246 PolarHBondContact O-N 3.32Å; I243-P250 HydrophobicContact CD1-CG 4.25Å; I243-P250 HydrophobicContact CG1-CG 4.4Å; I243-P250 HydrophobicContact CG2-CB 4.49Å; I243-P250 HydrophobicContact CG2-CG 4.25Å |
| 244 | F | 95.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.7 | -178.7 | -55.7 | -61.3 | 0 | 0 | 0 | 110.2 | H212 I215 I216 A219 S225 I226 V228 H242 | H212-F244 AromaticContact CD2-CE1 3.35Å; H212-F244 WeakPolarHBondContact CD2-CE1 3.47Å; H212-F244 AromaticContact CD2-CZ 3.57Å; H212-F244 AromaticContact CE1-CE1 3.82Å; H212-F244 AromaticContact NE2-CD1 3.76Å; H212-F244 AromaticContact NE2-CE1 2.93Å; H212-F244 WeakPolarHBondContact NE2-CE1 3.42Å; H212-F244 AromaticContact NE2-CZ 3.5Å; I215-F244 HydrophobicContact CB-CD2 4.3Å; I215-F244 HydrophobicContact CD1-CE2 4.29Å; I215-F244 HydrophobicContact CG2-CB 4.2Å; I215-F244 HydrophobicContact CG2-CD2 3.49Å; I215-F244 VanDerWaalsContact CG2-CD2 3.49Å; I215-F244 HydrophobicContact CG2-CE2 4.12Å; I215-F244 HydrophobicContact CG2-CG 4Å; I216-F244 HydrophobicContact CD1-CD1 4.49Å; I216-F244 HydrophobicContact CG1-CD1 3.79Å; I216-F244 HydrophobicContact CG1-CE1 4.38Å; I216-F244 HydrophobicContact CG1-CG 4.44Å; A219-F244 HydrophobicContact CB-CB 4.39Å; S225-F244 CarbonylContact C-O 3.2Å; S225-F244 VanDerWaalsContact CA-O 3.29Å; S225-F244 WeakPolarHBondContact CA-O 3.28Å; I226-F244 PolarHBondContact N-O 3.12Å; I226-F244 PolarHBondContact O-N 2.89Å; V228-F244 HydrophobicContact CB-CE2 4.14Å; V228-F244 HydrophobicContact CG2-CD2 3.98Å; V228-F244 HydrophobicContact CG2-CE2 3.78Å; H242-F244 HydrophobicContact CB-CE1 3.86Å; H242-F244 HydrophobicContact CB-CE2 3.75Å; H242-F244 HydrophobicContact CB-CZ 3.29Å |
| 245 | P | 92.8 | Very high | 91.5 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | S | Bend | cis | -69.1 | 160 | -10.5 | 31.6 | -35.8 | 0 | 0 | 0 | 112.9 | K220 V224 I243 G247 G248 | K220-P245 HydrophobicContact CD-CB 4.39Å; V224-P245 WeakPolarHBondContact O-CD 3.49Å; I243-P245 CarbonylContact C-O 3.6Å; I243-P245 WeakPolarHBondContact CG2-O 3.4Å; I243-P245 CarbonylContact O-C 3.42Å; P245-G247 PolarHBondContact O-N 3.5Å; P245-G248 PolarHBondContact O-N 3.13Å; P245-G248 VanDerWaalsContact O-N 3.09Å |
| 246 | E | 90.6 | Very high | 92.6 | Very high | 185 Ų | 185 | 53.6 Ų | 53.6 | 86% | 0.864 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 137.4 | 177.9 | -68.7 | -176.3 | 176 | 0 | 0 | 112.1 | I243 G248 | I243-E246 WeakPolarHBondContact O-CA 3.37Å; I243-E246 PolarHBondContact O-N 3.32Å; E246-G248 PolarHBondContact O-N 3.24Å |
| 247 | G | 89 | Confident | 93.3 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 87% | 0.866 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 4.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P245 | P245-G247 PolarHBondContact O-N 3.5Š|
| 248 | G | 91.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | trans | -67.2 | 166 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S225 P245 E246 P250 | S225-G248 WeakPolarHBondContact OG-CA 3.4Å; P245-G248 PolarHBondContact O-N 3.13Å; P245-G248 VanDerWaalsContact O-N 3.09Å; E246-G248 PolarHBondContact O-N 3.24Å; G248-P250 VanDerWaalsContact O-CD 3.28Å; G248-P250 WeakPolarHBondContact O-CD 3.46Å | ||
| 249 | D | 93.7 | Very high | 93.9 | Very high | 144 Ų | 144 | 53.8 Ų | 53.8 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | trans | -105.7 | 92.8 | 173.5 | -174.4 | 24.3 | 0 | 0 | 0 | 109.5 | S225 | S225-D249 PolarHBondContact OG-N 3.45Š| ||
| 250 | P | 95.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | trans | -74 | 133.4 | -169.9 | 29.4 | -35.1 | 0 | 0 | 0 | 112.3 | S225 L227 I243 G248 F253 | S225-P250 WeakPolarHBondContact O-CA 3.31Å; L227-P250 HydrophobicContact CB-CB 3.65Å; L227-P250 HydrophobicContact CB-CG 3.72Å; L227-P250 HydrophobicContact CD1-CG 4.03Å; I243-P250 HydrophobicContact CD1-CG 4.25Å; I243-P250 HydrophobicContact CG1-CG 4.4Å; I243-P250 HydrophobicContact CG2-CB 4.49Å; I243-P250 HydrophobicContact CG2-CG 4.25Å; G248-P250 VanDerWaalsContact O-CD 3.28Å; G248-P250 WeakPolarHBondContact O-CD 3.46Å; P250-F253 HydrophobicContact CB-CE1 4.37Å; P250-F253 HydrophobicContact CG-CE1 4.16Å; P250-F253 WeakPolarHBondContact O-CZ 3.33Å | ||
| 251 | R | 93.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -103.2 | -17.5 | 166.9 | -70 | -175.3 | 161.8 | -161 | 4.5 | 113.2 | D102 F253 | D102-R251 IonicContact OD2-CZ 2.74Å; D102-R251 VanDerWaalsContact OD2-CZ 3.23Å; D102-R251 IonicContact OD2-NH1 3.23Å; D102-R251 PolarHBondContact OD2-NH1 2.93Å; D102-R251 IonicContact OD2-NH2 2.75Å; D102-R251 PolarHBondContact OD2-NH2 2.88Å; R251-F253 WeakPolarHBondContact O-CE2 3.25Å |
| 252 | I | 97.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.5 | 179.6 | -56.8 | 161.1 | 0 | 0 | 0 | 107.1 | F91 A94 H95 I226 L227 L254 | F91-I252 HydrophobicContact CD2-CD1 3.88Å; F91-I252 HydrophobicContact CE2-CD1 3.57Å; F91-I252 HydrophobicContact CZ-CD1 4.45Å; A94-I252 HydrophobicContact CB-CG2 3.87Å; H95-I252 HydrophobicContact CB-CD1 3.6Å; H95-I252 HydrophobicContact CB-CG1 4.13Å; I226-I252 HydrophobicContact CG1-CD1 4.14Å; I226-I252 HydrophobicContact CG2-CB 4.43Å; I226-I252 HydrophobicContact CG2-CG2 4.16Å; L227-I252 PolarHBondContact N-O 3.17Å; I252-L254 HydrophobicContact CG2-CD2 3.91Å; I252-L254 HydrophobicContact CG2-CG 4.01Å |
| 253 | F | 98.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.5 | 177.1 | -49.9 | -83.1 | 0 | 0 | 0 | 108.1 | Y74 L227 P250 R251 L264 K266 | Y74-F253 HydrophobicContact CE1-CB 3.68Å; Y74-F253 HydrophobicContact CE1-CD1 4.01Å; Y74-F253 AromaticContact CE1-CG 3.8Å; Y74-F253 HydrophobicContact CE1-CG 3.8Å; L227-F253 HydrophobicContact CB-CD1 3.96Å; L227-F253 HydrophobicContact CB-CE1 4.41Å; L227-F253 HydrophobicContact CD1-CD1 4.24Å; L227-F253 HydrophobicContact CD1-CE1 4.34Å; L227-F253 HydrophobicContact CD2-CD1 4.23Å; L227-F253 HydrophobicContact CG-CD1 4.38Å; L227-F253 CarbonylContact O-C 3.55Å; L227-F253 WeakPolarHBondContact O-CA 3.38Å; P250-F253 HydrophobicContact CB-CE1 4.37Å; P250-F253 HydrophobicContact CG-CE1 4.16Å; P250-F253 WeakPolarHBondContact O-CZ 3.33Å; R251-F253 WeakPolarHBondContact O-CE2 3.25Å; F253-L264 HydrophobicContact CB-CB 4Å; F253-L264 PolarHBondContact O-N 3.49Å; F253-K266 VanDerWaalsContact CE1-CE 3.47Å; F253-K266 HydrophobicContact CE2-CD 4.4Å; F253-K266 HydrophobicContact CZ-CD 4.2Å; F253-K266 VanDerWaalsContact CZ-CE 3.44Å |
| 254 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.2 | 178.7 | -55.5 | -177.6 | 0 | 0 | 0 | 109.8 | F87 A90 I226 L227 V228 E229 I252 Y261 D262 I263 | F87-L254 HydrophobicContact CD2-CD1 4.08Å; F87-L254 HydrophobicContact CE2-CD1 4.06Å; A90-L254 HydrophobicContact CB-CD2 3.93Å; I226-L254 HydrophobicContact CG2-CD1 4Å; I226-L254 HydrophobicContact CG2-CG 4.21Å; L227-L254 PolarHBondContact O-N 3.11Å; V228-L254 CarbonylContact C-O 3.53Å; V228-L254 WeakPolarHBondContact CA-O 3.4Å; V228-L254 HydrophobicContact CG2-CB 4.36Å; E229-L254 PolarHBondContact N-O 3.28Å; I252-L254 HydrophobicContact CG2-CD2 3.91Å; I252-L254 HydrophobicContact CG2-CG 4.01Å; L254-Y261 HydrophobicContact CB-CD1 4.48Å; L254-Y261 HydrophobicContact CD1-CD1 4.42Å; L254-D262 CarbonylContact C-O 3.5Å; L254-D262 VanDerWaalsContact CA-O 3.24Å; L254-D262 WeakPolarHBondContact CA-O 3.23Å; L254-I263 HydrophobicContact CD2-CG1 4.15Å |
| 255 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120 | 167.3 | 179.1 | 65.1 | 0 | 0 | 0 | 108.1 | L52 L70 I77 E229 M231 R257 Y261 D262 L264 | L52-L255 HydrophobicContact CD1-CD2 3.82Å; L70-L255 HydrophobicContact CD1-CD1 4.38Å; L70-L255 HydrophobicContact CD2-CD1 3.94Å; L70-L255 HydrophobicContact CD2-CD2 4.29Å; I77-L255 HydrophobicContact CD1-CD2 4.08Å; E229-L255 HydrophobicContact CB-CD1 4.38Å; M231-L255 HydrophobicContact CB-CD1 3.86Å; L255-R257 HydrophobicContact CD2-CG 4.03Å; L255-R257 HydrophobicContact CG-CG 4Å; L255-Y261 VanDerWaalsContact O-CA 3.32Å; L255-Y261 WeakPolarHBondContact O-CA 3.49Å; L255-D262 HydrophobicContact CB-CB 4.38Å; L255-D262 PolarHBondContact N-O 2.88Å; L255-D262 PolarHBondContact O-N 3.46Å; L255-L264 HydrophobicContact CB-CD1 3.8Å; L255-L264 HydrophobicContact CB-CD2 3.97Å; L255-L264 HydrophobicContact CB-CG 3.74Å; L255-L264 HydrophobicContact CD1-CD1 4.4Å; L255-L264 HydrophobicContact CD2-CD2 4.45Å |
| 256 | Y | 97.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.5 | 164.7 | 176.5 | -98 | 0 | 0 | 0 | 109.8 | E229 Y230 M231 G259 Y261 | E229-Y256 PolarHBondContact O-N 2.92Å; Y230-Y256 AromaticContact CD1-CD1 3.33Å; Y230-Y256 HydrophobicContact CD1-CD1 3.33Å; Y230-Y256 HydrophobicContact CD1-CE1 4Å; Y230-Y256 AromaticContact CD1-CG 3.86Å; Y230-Y256 HydrophobicContact CD1-CG 3.86Å; Y230-Y256 AromaticContact CE1-CD1 3.76Å; Y230-Y256 HydrophobicContact CE1-CD1 3.76Å; Y230-Y256 HydrophobicContact CE1-CE1 4.29Å; Y230-Y256 AromaticContact CE1-CG 3.95Å; Y230-Y256 HydrophobicContact CE1-CG 3.95Å; Y230-Y256 HydrophobicContact CG-CD1 4.2Å; M231-Y256 PolarHBondContact N-O 3.44Å; Y256-G259 PolarHBondContact OH-N 3.04Å; Y256-Y261 HydrophobicContact CD2-CD1 4.24Å; Y256-Y261 HydrophobicContact CD2-CD2 4.3Å; Y256-Y261 AromaticContact CD2-CE1 3.67Å; Y256-Y261 HydrophobicContact CD2-CE1 3.67Å; Y256-Y261 AromaticContact CD2-CE2 3.74Å; Y256-Y261 HydrophobicContact CD2-CE2 3.74Å; Y256-Y261 AromaticContact CD2-CZ 3.4Å; Y256-Y261 HydrophobicContact CE2-CE2 4.06Å; Y256-Y261 AromaticContact CE2-CZ 3.96Å; Y256-Y261 HydrophobicContact CG-CE1 4.29Å |
| 257 | R | 93.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.9 | 163.7 | -58.8 | -178.6 | -75.5 | 159.6 | 0.1 | 106.5 | E55 Y56 M231 L255 G259 H260 D262 | E55-R257 IonicContact OE2-CZ 2.92Å; E55-R257 IonicContact OE2-NH1 3.81Å; E55-R257 PolarHBondContact OE2-NH1 3.32Å; E55-R257 IonicContact OE2-NH2 2.79Å; Y56-R257 WeakPolarHBondContact OH-CD 3.41Å; M231-R257 HydrophobicContact CE-CG 3.89Å; L255-R257 HydrophobicContact CD2-CG 4.03Å; L255-R257 HydrophobicContact CG-CG 4Å; R257-G259 PolarHBondContact O-N 3.02Å; R257-H260 PolarHBondContact N-O 3.48Å; R257-H260 PolarHBondContact O-N 3.13Å; R257-D262 IonicContact CZ-OD2 3.67Å; R257-D262 IonicContact NE-OD2 3.4Å; R257-D262 PolarHBondContact NE-OD2 3.18Å; R257-D262 IonicContact NH2-OD1 2.8Å; R257-D262 IonicContact NH2-OD2 3.61Å; R257-D262 PolarHBondContact NH2-OD2 3.39Å |
| 258 | P | 89.8 | Confident | 95.8 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 109.9 | -176.2 | -30.3 | 35.9 | 0 | 0 | 0 | 112.7 | ||
| 259 | G | 89.5 | Confident | 96.1 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 7.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y256 R257 | Y256-G259 PolarHBondContact OH-N 3.04Å; R257-G259 PolarHBondContact O-N 3.02Å |
| 260 | H | 96.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.2 | -173.5 | -168.1 | 60 | 0 | 0 | 0 | 114.9 | T80 R257 D262 | T80-H260 PolarHBondContact O-CE1 3.43Å; T80-H260 PolarHBondContact O-NE2 2.89Å; T80-H260 PolarHBondContact OG1-CE1 3.34Å; R257-H260 PolarHBondContact N-O 3.48Å; R257-H260 PolarHBondContact O-N 3.13Å; H260-D262 IonicContact CD2-OD1 2.76Å; H260-D262 IonicContact CD2-OD2 2.99Å; H260-D262 PolarHBondContact CD2-OD2 2.95Å; H260-D262 IonicContact NE2-OD1 3.58Å; H260-D262 PolarHBondContact NE2-OD1 3.42Å; H260-D262 VanDerWaalsContact NE2-OD1 3.16Å; H260-D262 IonicContact NE2-OD2 2.8Å |
| 261 | Y | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.8 | 177.9 | -66.3 | -95.5 | 0 | 0 | 0 | 112.1 | T80 F87 S210 I215 V228 L254 L255 Y256 | T80-Y261 PolarHBondContact OG1-O 2.84Å; F87-Y261 HydrophobicContact CB-CD2 3.72Å; F87-Y261 HydrophobicContact CB-CE2 3.99Å; F87-Y261 HydrophobicContact CB-CG 4.1Å; F87-Y261 HydrophobicContact CD2-CD1 4.3Å; F87-Y261 HydrophobicContact CD2-CE1 4.32Å; F87-Y261 HydrophobicContact CD2-CG 4.47Å; S210-Y261 VanDerWaalsContact O-CE2 3.22Å; S210-Y261 WeakPolarHBondContact O-CE2 3.37Å; S210-Y261 PolarHBondContact O-OH 3.36Å; I215-Y261 HydrophobicContact CD1-CE1 3.94Å; V228-Y261 HydrophobicContact CG1-CE1 4.16Å; L254-Y261 HydrophobicContact CB-CD1 4.48Å; L254-Y261 HydrophobicContact CD1-CD1 4.42Å; L255-Y261 VanDerWaalsContact O-CA 3.32Å; L255-Y261 WeakPolarHBondContact O-CA 3.49Å; Y256-Y261 HydrophobicContact CD2-CD1 4.24Å; Y256-Y261 HydrophobicContact CD2-CD2 4.3Å; Y256-Y261 AromaticContact CD2-CE1 3.67Å; Y256-Y261 HydrophobicContact CD2-CE1 3.67Å; Y256-Y261 AromaticContact CD2-CE2 3.74Å; Y256-Y261 HydrophobicContact CD2-CE2 3.74Å; Y256-Y261 AromaticContact CD2-CZ 3.4Å; Y256-Y261 HydrophobicContact CE2-CE2 4.06Å; Y256-Y261 AromaticContact CE2-CZ 3.96Å; Y256-Y261 HydrophobicContact CG-CE1 4.29Å |
| 262 | D | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 167 | 169.8 | -58.1 | -76.1 | 0 | 0 | 0 | 110.2 | I77 K79 T80 L254 L255 R257 H260 | I77-D262 HydrophobicContact CD1-CB 3.85Å; I77-D262 HydrophobicContact CG1-CB 3.99Å; K79-D262 WeakPolarHBondContact CA-OD1 3.42Å; T80-D262 PolarHBondContact N-OD1 3.02Å; L254-D262 CarbonylContact C-O 3.5Å; L254-D262 VanDerWaalsContact CA-O 3.24Å; L254-D262 WeakPolarHBondContact CA-O 3.23Å; L255-D262 HydrophobicContact CB-CB 4.38Å; L255-D262 PolarHBondContact N-O 2.88Å; L255-D262 PolarHBondContact O-N 3.46Å; R257-D262 IonicContact CZ-OD2 3.67Å; R257-D262 IonicContact NE-OD2 3.4Å; R257-D262 PolarHBondContact NE-OD2 3.18Å; R257-D262 IonicContact NH2-OD1 2.8Å; R257-D262 IonicContact NH2-OD2 3.61Å; R257-D262 PolarHBondContact NH2-OD2 3.39Å; H260-D262 IonicContact CD2-OD1 2.76Å; H260-D262 IonicContact CD2-OD2 2.99Å; H260-D262 PolarHBondContact CD2-OD2 2.95Å; H260-D262 IonicContact NE2-OD1 3.58Å; H260-D262 PolarHBondContact NE2-OD1 3.42Å; H260-D262 VanDerWaalsContact NE2-OD1 3.16Å; H260-D262 IonicContact NE2-OD2 2.8Å |
| 263 | I | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.2 | 178.3 | -51.6 | 163.5 | 0 | 0 | 0 | 109.3 | I77 R78 A90 F93 A94 L254 Y265 | I77-I263 CarbonylContact C-O 3.58Å; I77-I263 VanDerWaalsContact CA-O 3.28Å; I77-I263 WeakPolarHBondContact CA-O 3.41Å; I77-I263 WeakPolarHBondContact CG1-O 3.33Å; R78-I263 HydrophobicContact CB-CB 4.21Å; R78-I263 HydrophobicContact CB-CD1 4.41Å; R78-I263 HydrophobicContact CG-CD1 4.49Å; R78-I263 PolarHBondContact N-O 3.17Å; R78-I263 PolarHBondContact O-N 3.21Å; A90-I263 HydrophobicContact CB-CD1 4.4Å; A90-I263 HydrophobicContact CB-CG1 3.77Å; F93-I263 HydrophobicContact CB-CD1 4.22Å; F93-I263 HydrophobicContact CD1-CD1 3.66Å; F93-I263 HydrophobicContact CG-CD1 4.33Å; A94-I263 HydrophobicContact CB-CD1 4.02Å; A94-I263 HydrophobicContact CB-CG1 4.09Å; A94-I263 HydrophobicContact CB-CG2 3.68Å; L254-I263 HydrophobicContact CD2-CG1 4.15Å; I263-Y265 HydrophobicContact CB-CE2 4.2Å; I263-Y265 HydrophobicContact CG2-CE1 4.35Å; I263-Y265 HydrophobicContact CG2-CE2 3.77Å |
| 264 | L | 98.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.9 | 175.3 | -66.4 | 172.7 | 0 | 0 | 0 | 111.5 | L49 L70 Y74 E229 F253 L255 | L49-L264 HydrophobicContact CD1-CD2 3.88Å; L70-L264 HydrophobicContact CD1-CD1 4.01Å; L70-L264 HydrophobicContact CD2-CD2 4.27Å; Y74-L264 HydrophobicContact CD1-CB 3.6Å; Y74-L264 HydrophobicContact CD1-CD1 4.38Å; Y74-L264 HydrophobicContact CD2-CB 4.49Å; Y74-L264 HydrophobicContact CD2-CD1 3.88Å; Y74-L264 HydrophobicContact CE1-CB 3.83Å; Y74-L264 HydrophobicContact CE1-CD1 4.3Å; Y74-L264 HydrophobicContact CE2-CD1 3.84Å; Y74-L264 HydrophobicContact CG-CB 3.95Å; Y74-L264 HydrophobicContact CG-CD1 4.17Å; Y74-L264 HydrophobicContact CG-CD2 4.42Å; Y74-L264 HydrophobicContact CG-CG 4.42Å; E229-L264 HydrophobicContact CB-CD1 3.96Å; E229-L264 HydrophobicContact CG-CD1 3.9Å; F253-L264 HydrophobicContact CB-CB 4Å; F253-L264 PolarHBondContact O-N 3.49Å; L255-L264 HydrophobicContact CB-CD1 3.8Å; L255-L264 HydrophobicContact CB-CD2 3.97Å; L255-L264 HydrophobicContact CB-CG 3.74Å; L255-L264 HydrophobicContact CD1-CD1 4.4Å; L255-L264 HydrophobicContact CD2-CD2 4.45Å |
| 265 | Y | 98.3 | Very high | 96 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 13% | 0.125 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.8 | 175.6 | -56.3 | -94.2 | 0 | 0 | 0 | 110.1 | R46 Y74 A75 Y76 R78 E97 I263 | R46-Y265 HydrophobicContact CG-CD2 4.19Å; R46-Y265 HydrophobicContact CG-CE2 4.24Å; Y74-Y265 CarbonylContact C-O 3.52Å; Y74-Y265 VanDerWaalsContact CA-O 3.31Å; Y74-Y265 WeakPolarHBondContact CA-O 3.35Å; Y74-Y265 WeakPolarHBondContact CB-O 3.46Å; A75-Y265 PolarHBondContact N-O 2.75Å; Y76-Y265 PolarHBondContact N-O 3.09Å; Y76-Y265 PolarHBondContact O-N 2.81Å; R78-Y265 HydrophobicContact CB-CE2 3.62Å; R78-Y265 PolarHBondContact NE-OH 3.05Å; E97-Y265 WeakPolarHBondContact OE2-CE1 3.45Å; E97-Y265 VanDerWaalsContact OE2-CZ 3.26Å; E97-Y265 PolarHBondContact OE2-OH 3.2Å; I263-Y265 HydrophobicContact CB-CE2 4.2Å; I263-Y265 HydrophobicContact CG2-CE1 4.35Å; I263-Y265 HydrophobicContact CG2-CE2 3.77Å |
| 266 | K | 94.8 | Very high | 95.8 | Very high | 169 Ų | 169 | 38.4 Ų | 38.4 | 74% | 0.735 | 20% | 0.199 | S | C | * | . | trans | -64.4 | 0 | 174.6 | -67.1 | -176.7 | 178 | 173.8 | 0 | 111.2 | Y74 A75 F253 | Y74-K266 HydrophobicContact CD1-CG 3.97Å; Y74-K266 HydrophobicContact CE1-CG 3.94Å; A75-K266 PolarHBondContact N-OXT 3.47Å; F253-K266 VanDerWaalsContact CE1-CE 3.47Å; F253-K266 HydrophobicContact CE2-CD 4.4Å; F253-K266 HydrophobicContact CZ-CD 4.2Å; F253-K266 VanDerWaalsContact CZ-CE 3.44Å |
Retrieved 266 of 266 residues in 205.7 ms
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