| 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 | 47 | Very low | 52.7 | Low | 95 Ų | 95 | 90.5 Ų | 90.5 | 47% | 0.468 | 45% | 0.452 | S | S | . | . | 0 | -38.7 | 0 | -87.9 | 179.3 | 174.6 | 0 | 0 | 114.2 | Y3 A4 | M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.28Å; M1-A4 PolarHBondContact O-N 3.03Å | |||
| 2 | W | 49.7 | Very low | 53.2 | Low | 174 Ų | 174 | 83.3 Ų | 83.3 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.9 | -40 | 178.2 | -163.8 | 84.3 | 0 | 0 | 0 | 113.3 | A4 Q5 N6 | W2-A4 PolarHBondContact O-N 3.25Å; W2-Q5 PolarHBondContact O-N 2.73Å; W2-N6 HydrophobicContact CD2-CB 4.35Å; W2-N6 HydrophobicContact CE3-CB 4.22Å; W2-N6 HydrophobicContact CH2-CB 4.27Å; W2-N6 HydrophobicContact CZ2-CB 4.39Å; W2-N6 HydrophobicContact CZ3-CB 4.18Å; W2-N6 VanDerWaalsContact O-CB 3.31Å; W2-N6 WeakPolarHBondContact O-CB 3.31Å; W2-N6 PolarHBondContact O-N 3.15Å; W2-N6 VanDerWaalsContact O-N 3.08Å |
| 3 | Y | 47.7 | Very low | 54 | Low | 135 Ų | 135 | 80.8 Ų | 80.8 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 179.1 | -86.4 | -87.1 | 0 | 0 | 0 | 114.6 | M1 S7 I67 | M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.28Å; Y3-S7 WeakPolarHBondContact O-CA 3.25Å; Y3-S7 WeakPolarHBondContact O-CB 3.15Å; Y3-S7 PolarHBondContact O-N 2.91Å; Y3-S7 PolarHBondContact O-OG 3.5Å; Y3-I67 HydrophobicContact CD1-CG2 3.43Å; Y3-I67 VanDerWaalsContact CD1-CG2 3.43Å; Y3-I67 HydrophobicContact CE1-CG2 3.3Å; Y3-I67 HydrophobicContact CG-CG2 4.27Å |
| 4 | A | 50.3 | Low | 54.8 | Low | 17 Ų | 17 | 83.8 Ų | 83.8 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 W2 N6 I16 F59 | M1-A4 PolarHBondContact O-N 3.03Å; W2-A4 PolarHBondContact O-N 3.25Å; A4-N6 VanDerWaalsContact C-N 3.34Å; A4-I16 HydrophobicContact CB-CD1 3.88Å; A4-F59 HydrophobicContact CB-CE1 3.41Å; A4-F59 VanDerWaalsContact CB-CE1 3.41Å; A4-F59 HydrophobicContact CB-CE2 3.95Å; A4-F59 HydrophobicContact CB-CZ 3.08Å |
| 5 | Q | 49.3 | Very low | 55.3 | Low | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.252 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -84.2 | -18.3 | -175.2 | -68.9 | 175.5 | -12.5 | 0 | 0 | 111.4 | W2 Q39 S41 | W2-Q5 PolarHBondContact O-N 2.73Å; Q5-Q39 WeakPolarHBondContact CG-O 3.46Å; Q5-Q39 PolarHBondContact NE2-O 3.44Å; Q5-Q39 PolarHBondContact OE1-O 3.1Å; Q5-S41 WeakPolarHBondContact CG-OG 3.24Å; Q5-S41 VanDerWaalsContact NE2-N 3.1Å; Q5-S41 PolarHBondContact NE2-OG 3.36Å |
| 6 | N | 51.6 | Low | 55.9 | Low | 106 Ų | 106 | 76.6 Ų | 76.6 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -117.3 | -11.8 | -176.7 | -134.2 | 74.1 | 0 | 0 | 0 | 113.2 | W2 A4 | W2-N6 HydrophobicContact CD2-CB 4.35Å; W2-N6 HydrophobicContact CE3-CB 4.22Å; W2-N6 HydrophobicContact CH2-CB 4.27Å; W2-N6 HydrophobicContact CZ2-CB 4.39Å; W2-N6 HydrophobicContact CZ3-CB 4.18Å; W2-N6 VanDerWaalsContact O-CB 3.31Å; W2-N6 WeakPolarHBondContact O-CB 3.31Å; W2-N6 PolarHBondContact O-N 3.15Å; W2-N6 VanDerWaalsContact O-N 3.08Å; A4-N6 VanDerWaalsContact C-N 3.34Å |
| 7 | S | 53.7 | Low | 56.5 | Low | 27 Ų | 27 | 80.6 Ų | 80.6 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | trans | -86.6 | 117.8 | 166.9 | 94.2 | 0 | 0 | 0 | 0 | 108.3 | Y3 S9 C12 | Y3-S7 WeakPolarHBondContact O-CA 3.25Å; Y3-S7 WeakPolarHBondContact O-CB 3.15Å; Y3-S7 PolarHBondContact O-N 2.91Å; Y3-S7 PolarHBondContact O-OG 3.5Å; S7-S9 PolarHBondContact O-N 2.53Å; S7-S9 VanDerWaalsContact OG-CB 3.26Å; S7-S9 WeakPolarHBondContact OG-CB 2.91Å; S7-S9 PolarHBondContact OG-N 3.42Å; S7-C12 PolarHBondContact OG-SG 3.2Å; S7-C12 VanDerWaalsContact OG-SG 3.41Å | ||
| 8 | N | 54.2 | Low | 56.9 | Low | 176 Ų | 176 | 84.9 Ų | 84.9 | 94% | 0.941 | 41% | 0.411 | S | S | * | . | trans | -68.2 | 21.8 | 162.7 | -88.3 | -30.2 | 0 | 0 | 0 | 111.6 | S10 | N8-S10 PolarHBondContact O-N 3.28Å; N8-S10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | S | 55.9 | Low | 57.2 | Low | 29 Ų | 29 | 85.2 Ų | 85.2 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | trans | -78.3 | 102 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | S7 E11 C12 V13 | S7-S9 PolarHBondContact O-N 2.53Å; S7-S9 VanDerWaalsContact OG-CB 3.26Å; S7-S9 WeakPolarHBondContact OG-CB 2.91Å; S7-S9 PolarHBondContact OG-N 3.42Å; S9-E11 PolarHBondContact O-N 3.38Å; S9-C12 WeakPolarHBondContact O-CB 2.99Å; S9-C12 PolarHBondContact O-N 2.85Å; S9-V13 PolarHBondContact O-N 3.39Å | ||
| 10 | S | 60.7 | Low | 57.3 | Low | 73 Ų | 73 | 83.1 Ų | 83.1 | 51% | 0.51 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.5 | -22.9 | 170.3 | 69.4 | 0 | 0 | 0 | 0 | 112.5 | N8 K14 | N8-S10 PolarHBondContact O-N 3.28Å; N8-S10 VanDerWaalsContact O-N 3.11Å; S10-K14 VanDerWaalsContact O-CG 3.24Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 3.04Å |
| 11 | E | 59.7 | Low | 57.3 | Low | 110 Ų | 110 | 79.2 Ų | 79.2 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.4 | -43.6 | 175.5 | -62.7 | -172.4 | 85.5 | 0 | 0 | 112.2 | S9 V13 K14 I15 V66 | S9-E11 PolarHBondContact O-N 3.38Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.47Å; E11-K14 WeakPolarHBondContact O-CB 3.26Å; E11-K14 PolarHBondContact O-N 2.05Å; E11-K14 VanDerWaalsContact O-N 3.15Å; E11-I15 VanDerWaalsContact O-CG1 3.27Å; E11-I15 WeakPolarHBondContact O-CG1 3.18Å; E11-I15 PolarHBondContact O-N 1.99Å; E11-V66 HydrophobicContact CB-CG1 4.21Å |
| 12 | C | 58.6 | Low | 57.7 | Low | 4 Ų | 4 | 77.4 Ų | 77.4 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | S7 S9 K14 I15 I16 V66 | S7-C12 PolarHBondContact OG-SG 3.2Å; S7-C12 VanDerWaalsContact OG-SG 3.41Å; S9-C12 WeakPolarHBondContact O-CB 2.99Å; S9-C12 PolarHBondContact O-N 2.85Å; C12-K14 VanDerWaalsContact C-N 3.33Å; C12-K14 PolarHBondContact O-N 3.33Å; C12-I15 PolarHBondContact O-N 3.03Å; C12-I16 HydrophobicContact CB-CD1 4.42Å; C12-I16 WeakPolarHBondContact O-CB 3.32Å; C12-I16 WeakPolarHBondContact O-CD1 3.18Å; C12-I16 WeakPolarHBondContact O-CG1 3.46Å; C12-I16 PolarHBondContact O-N 3.4Å; C12-V66 PolarHBondContact SG-O 3.45Å |
| 13 | V | 63.3 | Low | 58.2 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 176.2 | 164.7 | 0 | 0 | 0 | 0 | 112.2 | S9 E11 R17 F23 | S9-V13 PolarHBondContact O-N 3.39Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.47Å; V13-R17 HydrophobicContact CG1-CG 4.49Å; V13-R17 WeakPolarHBondContact O-CB 3.4Å; V13-R17 WeakPolarHBondContact O-CG 3.28Å; V13-R17 PolarHBondContact O-N 3.03Å; V13-F23 HydrophobicContact CB-CE1 4.24Å; V13-F23 HydrophobicContact CB-CZ 3.94Å; V13-F23 HydrophobicContact CG1-CE1 3.8Å; V13-F23 HydrophobicContact CG1-CZ 3.42Å; V13-F23 VanDerWaalsContact CG1-CZ 3.42Å; V13-F23 HydrophobicContact CG2-CE1 4.21Å; V13-F23 HydrophobicContact CG2-CZ 3.61Å |
| 14 | K | 65.6 | Low | 58.3 | Low | 122 Ų | 122 | 68 Ų | 68 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 178 | -76.3 | 168.1 | -175.4 | 173.6 | 0 | 111.9 | S10 E11 C12 R17 Q18 | S10-K14 VanDerWaalsContact O-CG 3.24Å; S10-K14 WeakPolarHBondContact O-CG 3.45Å; S10-K14 PolarHBondContact O-N 3.04Å; E11-K14 WeakPolarHBondContact O-CB 3.26Å; E11-K14 PolarHBondContact O-N 2.05Å; E11-K14 VanDerWaalsContact O-N 3.15Å; C12-K14 VanDerWaalsContact C-N 3.33Å; C12-K14 PolarHBondContact O-N 3.33Å; K14-R17 PolarHBondContact O-N 3.04Å; K14-Q18 WeakPolarHBondContact O-CB 3Å; K14-Q18 VanDerWaalsContact O-CG 3.28Å; K14-Q18 WeakPolarHBondContact O-CG 3.41Å; K14-Q18 PolarHBondContact O-N 3.49Å |
| 15 | I | 62.4 | Low | 58.4 | Low | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.1 | -41.2 | -176.9 | -63.7 | 165.8 | 0 | 0 | 0 | 110.4 | E11 C12 Q18 N19 V58 L62 V66 | E11-I15 VanDerWaalsContact O-CG1 3.27Å; E11-I15 WeakPolarHBondContact O-CG1 3.18Å; E11-I15 PolarHBondContact O-N 1.99Å; C12-I15 PolarHBondContact O-N 3.03Å; I15-Q18 PolarHBondContact O-N 3.44Å; I15-N19 PolarHBondContact O-N 3.09Å; I15-N19 PolarHBondContact O-ND2 3.16Å; I15-V58 HydrophobicContact CG2-CG1 3.59Å; I15-L62 HydrophobicContact CB-CD2 4.27Å; I15-L62 HydrophobicContact CD1-CD2 3.29Å; I15-L62 HydrophobicContact CG1-CD2 4.33Å; I15-L62 HydrophobicContact CG2-CD2 3.88Å; I15-V66 HydrophobicContact CD1-CG1 4.16Å |
| 16 | I | 64.1 | Low | 58.4 | Low | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.056 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 173.2 | -64.8 | 158.5 | 0 | 0 | 0 | 109.5 | A4 C12 Q18 N19 C21 F23 F59 | A4-I16 HydrophobicContact CB-CD1 3.88Å; C12-I16 HydrophobicContact CB-CD1 4.42Å; C12-I16 WeakPolarHBondContact O-CB 3.32Å; C12-I16 WeakPolarHBondContact O-CD1 3.18Å; C12-I16 WeakPolarHBondContact O-CG1 3.46Å; C12-I16 PolarHBondContact O-N 3.4Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 2.76Å; I16-N19 PolarHBondContact O-N 3.16Å; I16-N19 VanDerWaalsContact O-N 3.16Å; I16-C21 CarbonylContact C-O 3.59Å; I16-C21 HydrophobicContact CB-CB 4.26Å; I16-C21 HydrophobicContact CG2-CB 3.21Å; I16-C21 WeakPolarHBondContact CG2-O 3.42Å; I16-C21 VanDerWaalsContact O-CB 3.26Å; I16-C21 WeakPolarHBondContact O-CB 3.42Å; I16-C21 PolarHBondContact O-N 2.89Å; I16-F23 HydrophobicContact CG2-CD1 3.85Å; I16-F23 HydrophobicContact CG2-CE1 4.18Å; I16-F59 HydrophobicContact CD1-CE1 3.82Å; I16-F59 HydrophobicContact CD1-CE2 4.48Å; I16-F59 HydrophobicContact CD1-CZ 3.36Å; I16-F59 HydrophobicContact CG1-CE1 4.14Å; I16-F59 HydrophobicContact CG1-CE2 4.46Å; I16-F59 HydrophobicContact CG1-CZ 3.61Å |
| 17 | R | 66.1 | Low | 58.3 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.9 | -73 | -93.9 | -175.7 | 163.7 | -3.2 | 112.6 | V13 K14 N19 G20 F23 | V13-R17 HydrophobicContact CG1-CG 4.49Å; V13-R17 WeakPolarHBondContact O-CB 3.4Å; V13-R17 WeakPolarHBondContact O-CG 3.28Å; V13-R17 PolarHBondContact O-N 3.03Å; K14-R17 PolarHBondContact O-N 3.04Å; R17-N19 VanDerWaalsContact C-N 3.28Å; R17-N19 PolarHBondContact O-N 3.07Å; R17-G20 PolarHBondContact O-N 3.43Å; R17-F23 HydrophobicContact CG-CE1 4.31Å; R17-F23 PolarHBondContact NH2-O 3.3Å |
| 18 | Q | 64.9 | Low | 58.1 | Low | 158 Ų | 158 | 78.6 Ų | 78.6 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.2 | -30.5 | 178.7 | -78.6 | 176.2 | -5.8 | 0 | 0 | 113 | K14 I15 I16 G20 | K14-Q18 WeakPolarHBondContact O-CB 3Å; K14-Q18 VanDerWaalsContact O-CG 3.28Å; K14-Q18 WeakPolarHBondContact O-CG 3.41Å; K14-Q18 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 3.44Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 2.76Å; Q18-G20 PolarHBondContact O-N 2.8Å |
| 19 | N | 62.5 | Low | 57.9 | Low | 91 Ų | 91 | 79.3 Ų | 79.3 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 13.9 | 177.2 | -75.9 | -86.8 | 0 | 0 | 0 | 113.2 | I15 I16 R17 C21 V58 | I15-N19 PolarHBondContact O-N 3.09Å; I15-N19 PolarHBondContact O-ND2 3.16Å; I16-N19 PolarHBondContact O-N 3.16Å; I16-N19 VanDerWaalsContact O-N 3.16Å; R17-N19 VanDerWaalsContact C-N 3.28Å; R17-N19 PolarHBondContact O-N 3.07Å; N19-C21 PolarHBondContact O-N 3.01Å; N19-V58 HydrophobicContact CB-CG2 3.71Å |
| 20 | G | 58.6 | Low | 57.2 | Low | 43 Ų | 43 | 79.9 Ų | 79.9 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 4.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R17 Q18 S22 | R17-G20 PolarHBondContact O-N 3.43Å; Q18-G20 PolarHBondContact O-N 2.8Å; G20-S22 PolarHBondContact O-N 3.23Å |
| 21 | C | 58.5 | Low | 56.3 | Low | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.014 | 45% | 0.446 | C | S | . | . | trans | -76.4 | 93.7 | 170.7 | -68 | 0 | 0 | 0 | 0 | 108.6 | I16 N19 F23 C55 | I16-C21 CarbonylContact C-O 3.59Å; I16-C21 HydrophobicContact CB-CB 4.26Å; I16-C21 HydrophobicContact CG2-CB 3.21Å; I16-C21 WeakPolarHBondContact CG2-O 3.42Å; I16-C21 VanDerWaalsContact O-CB 3.26Å; I16-C21 WeakPolarHBondContact O-CB 3.42Å; I16-C21 PolarHBondContact O-N 2.89Å; N19-C21 PolarHBondContact O-N 3.01Å; C21-F23 PolarHBondContact O-N 3.47Å; C21-C55 HydrophobicContact CB-CB 4.3Å; C21-C55 WeakPolarHBondContact CB-SG 3.04Å; C21-C55 VanDerWaalsContact SG-CA 3.51Å; C21-C55 WeakPolarHBondContact SG-CB 3.21Å; C21-C55 CovalentContact SG-SG 2.05Å; C21-C55 PolarHBondContact SG-SG 3.04Å | ||
| 22 | S | 54.9 | Low | 55.4 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | trans | -81.4 | 116.5 | 167.8 | -67 | 0 | 0 | 0 | 0 | 108.6 | G20 | G20-S22 PolarHBondContact O-N 3.23Š| ||
| 23 | F | 59.5 | Low | 54.7 | Low | 25 Ų | 25 | 84.6 Ų | 84.6 | 11% | 0.11 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.8 | 164.6 | 66 | -85.9 | 0 | 0 | 0 | 107.8 | V13 I16 R17 C21 V25 | V13-F23 HydrophobicContact CB-CE1 4.24Å; V13-F23 HydrophobicContact CB-CZ 3.94Å; V13-F23 HydrophobicContact CG1-CE1 3.8Å; V13-F23 HydrophobicContact CG1-CZ 3.42Å; V13-F23 VanDerWaalsContact CG1-CZ 3.42Å; V13-F23 HydrophobicContact CG2-CE1 4.21Å; V13-F23 HydrophobicContact CG2-CZ 3.61Å; I16-F23 HydrophobicContact CG2-CD1 3.85Å; I16-F23 HydrophobicContact CG2-CE1 4.18Å; R17-F23 HydrophobicContact CG-CE1 4.31Å; R17-F23 PolarHBondContact NH2-O 3.3Å; C21-F23 PolarHBondContact O-N 3.47Å; F23-V25 HydrophobicContact CD2-CG2 3.77Å; F23-V25 HydrophobicContact CE2-CG2 3.58Å |
| 24 | E | 51.1 | Low | 53.8 | Low | 88 Ų | 88 | 89.6 Ų | 89.6 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131.4 | 160.7 | -44.4 | -172.1 | 68.3 | 0 | 0 | 107.1 | Q26 Y42 Q44 | E24-Q26 PolarHBondContact O-N 3.23Å; E24-Y42 HydrophobicContact CB-CE1 3.8Å; E24-Y42 HydrophobicContact CB-CE2 4.02Å; E24-Y42 WeakPolarHBondContact CB-OH 3.43Å; E24-Y42 HydrophobicContact CG-CE1 4.42Å; E24-Y42 HydrophobicContact CG-CE2 3.72Å; E24-Y42 VanDerWaalsContact CG-OH 3.25Å; E24-Y42 WeakPolarHBondContact CG-OH 3.18Å; E24-Y42 VanDerWaalsContact OE2-CE2 3.31Å; E24-Y42 WeakPolarHBondContact OE2-CE2 2.81Å; E24-Y42 VanDerWaalsContact OE2-CZ 3.27Å; E24-Y42 PolarHBondContact OE2-OH 2.97Å; E24-Q44 PolarHBondContact OE2-NE2 2.99Å; E24-Q44 PolarHBondContact OE2-OE1 3.34Å |
| 25 | V | 51.2 | Low | 52.7 | Low | 71 Ų | 71 | 89.3 Ų | 89.3 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | trans | -78.6 | 102.4 | 169.7 | -178.7 | 0 | 0 | 0 | 0 | 105.2 | F23 S27 Q39 | F23-V25 HydrophobicContact CD2-CG2 3.77Å; F23-V25 HydrophobicContact CE2-CG2 3.58Å; V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 2.94Å; V25-Q39 HydrophobicContact CG1-CG 4.48Å | ||
| 26 | Q | 49.3 | Very low | 51.7 | Low | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | trans | -68.7 | 100.2 | 161.4 | -90.6 | 179 | 37 | 0 | 0 | 107 | E24 D28 Y42 | E24-Q26 PolarHBondContact O-N 3.23Å; Q26-D28 VanDerWaalsContact C-N 3.26Å; Q26-D28 PolarHBondContact O-N 3.03Å; Q26-Y42 HydrophobicContact CG-CE1 4.22Å | ||
| 27 | S | 49 | Very low | 50.6 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 62% | 0.622 | 60% | 0.602 | S | S | * | * | trans | -66.6 | 95.1 | 158.6 | -60.5 | 0 | 0 | 0 | 0 | 106.2 | V25 E29 | V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 2.94Å; S27-E29 PolarHBondContact O-N 2.83Å | ||
| 28 | D | 51 | Low | 49.6 | Very low | 129 Ų | 129 | 105.2 Ų | 105.2 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | trans | -69.1 | 86.6 | 167.1 | -169.4 | -101.3 | 0 | 0 | 0 | 107.5 | Q26 G30 | Q26-D28 VanDerWaalsContact C-N 3.26Å; Q26-D28 PolarHBondContact O-N 3.03Å; D28-G30 PolarHBondContact O-N 3.21Å | ||
| 29 | E | 48.8 | Very low | 48.6 | Very low | 190 Ų | 190 | 102 Ų | 102 | 89% | 0.888 | 60% | 0.598 | S | S | * | * | trans | -83.2 | 23.7 | 171.7 | -89.8 | -170 | 84.9 | 0 | 0 | 111.7 | S27 | S27-E29 PolarHBondContact O-N 2.83Š| ||
| 30 | G | 42.1 | Very low | 47.8 | Very low | 41 Ų | 41 | 101 Ų | 101 | 42% | 0.423 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -144.5 | 101.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D28 | D28-G30 PolarHBondContact O-N 3.21Š|
| 31 | S | 41.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 100.7 Ų | 100.7 | 87% | 0.874 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 85 | 90.5 | 159.8 | -59.8 | 0 | 0 | 0 | 0 | 118.4 | ||
| 32 | G | 41.4 | Very low | 46.8 | Very low | 88 Ų | 88 | 104 Ų | 104 | 91% | 0.907 | 61% | 0.606 | S | S | * | * | trans | 77.4 | 35.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 33 | G | 43.4 | Very low | 46.5 | Very low | 73 Ų | 73 | 103.1 Ų | 103.1 | 75% | 0.753 | 60% | 0.599 | S | S | * | * | trans | -75.3 | 121.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S35 | G33-S35 PolarHBondContact O-N 3.06Š| ||
| 34 | D | 43.7 | Very low | 46 | Very low | 156 Ų | 156 | 107 Ų | 107 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | trans | -66.8 | 91.2 | 160.4 | -152.3 | -79.2 | 0 | 0 | 0 | 109.3 | R36 | D34-R36 PolarHBondContact O-N 3.11Š| ||
| 35 | S | 43.8 | Very low | 45.6 | Very low | 117 Ų | 117 | 106.2 Ų | 106.2 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 33.2 | 20.9 | 154.1 | -55.9 | 0 | 0 | 0 | 0 | 122 | G33 | G33-S35 PolarHBondContact O-N 3.06Š|
| 36 | R | 41 | Very low | 45.2 | Very low | 203 Ų | 203 | 108.6 Ų | 108.6 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | trans | -139.8 | 78.7 | 169 | -70.5 | -177.3 | 170.2 | 139.2 | -4.9 | 108.4 | D34 R38 | D34-R36 PolarHBondContact O-N 3.11Å; R36-R38 HydrophobicContact CB-CG 4.48Å; R36-R38 PolarHBondContact O-N 3.47Å | ||
| 37 | S | 39.5 | Very low | 45 | Very low | 123 Ų | 123 | 107.1 Ų | 107.1 | 86% | 0.86 | 65% | 0.647 | S | S | * | * | trans | -56.8 | 81.1 | 161.3 | -59 | 0 | 0 | 0 | 0 | 108.5 | Q39 | S37-Q39 PolarHBondContact O-N 2.94Š| ||
| 38 | R | 46.1 | Very low | 44.8 | Very low | 204 Ų | 204 | 109.7 Ų | 109.7 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | trans | -70 | 89 | 169.7 | -68.6 | -176.3 | -178 | -157 | 1 | 104.7 | R36 A40 | R36-R38 HydrophobicContact CB-CG 4.48Å; R36-R38 PolarHBondContact O-N 3.47Å; R38-A40 PolarHBondContact O-N 3.22Å | ||
| 39 | Q | 44.6 | Very low | 44.7 | Very low | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.43 | 65% | 0.653 | S | S | . | * | trans | -56.9 | 89.5 | 166.3 | -79.4 | -179.5 | -21.7 | 0 | 0 | 107.3 | Q5 V25 S37 S41 | Q5-Q39 WeakPolarHBondContact CG-O 3.46Å; Q5-Q39 PolarHBondContact NE2-O 3.44Å; Q5-Q39 PolarHBondContact OE1-O 3.1Å; V25-Q39 HydrophobicContact CG1-CG 4.48Å; S37-Q39 PolarHBondContact O-N 2.94Å; Q39-S41 PolarHBondContact O-N 3.41Å | ||
| 40 | A | 45.4 | Very low | 45.1 | Very low | 69 Ų | 69 | 101.9 Ų | 101.9 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | -76.9 | 96.2 | 180 | 0 | 0 | 0 | 0 | 0 | 107.8 | R38 Y42 | R38-A40 PolarHBondContact O-N 3.22Å; A40-Y42 PolarHBondContact O-N 3.49Å | ||
| 41 | S | 50.2 | Low | 45.5 | Very low | 36 Ų | 36 | 100.7 Ų | 100.7 | 25% | 0.252 | 62% | 0.619 | S | S | . | * | trans | -63.8 | 97.3 | 169.6 | -44.2 | 0 | 0 | 0 | 0 | 108.7 | Q5 Q39 | Q5-S41 WeakPolarHBondContact CG-OG 3.24Å; Q5-S41 VanDerWaalsContact NE2-N 3.1Å; Q5-S41 PolarHBondContact NE2-OG 3.36Å; Q39-S41 PolarHBondContact O-N 3.41Å | ||
| 42 | Y | 46.4 | Very low | 46.1 | Very low | 73 Ų | 73 | 98.1 Ų | 98.1 | 29% | 0.286 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 139.9 | 168.2 | 60.1 | -91.2 | 0 | 0 | 0 | 109.2 | E24 Q26 A40 Q44 | E24-Y42 HydrophobicContact CB-CE1 3.8Å; E24-Y42 HydrophobicContact CB-CE2 4.02Å; E24-Y42 WeakPolarHBondContact CB-OH 3.43Å; E24-Y42 HydrophobicContact CG-CE1 4.42Å; E24-Y42 HydrophobicContact CG-CE2 3.72Å; E24-Y42 VanDerWaalsContact CG-OH 3.25Å; E24-Y42 WeakPolarHBondContact CG-OH 3.18Å; E24-Y42 VanDerWaalsContact OE2-CE2 3.31Å; E24-Y42 WeakPolarHBondContact OE2-CE2 2.81Å; E24-Y42 VanDerWaalsContact OE2-CZ 3.27Å; E24-Y42 PolarHBondContact OE2-OH 2.97Å; Q26-Y42 HydrophobicContact CG-CE1 4.22Å; A40-Y42 PolarHBondContact O-N 3.49Å; Y42-Q44 HydrophobicContact CD2-CB 4.27Å; Y42-Q44 HydrophobicContact CD2-CG 4.13Å; Y42-Q44 HydrophobicContact CE2-CB 4.38Å; Y42-Q44 HydrophobicContact CE2-CG 3.98Å |
| 43 | C | 47.6 | Very low | 46.6 | Very low | 37 Ų | 37 | 100.8 Ų | 100.8 | 25% | 0.25 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.1 | -175.7 | -141.3 | 0 | 0 | 0 | 0 | 106.5 | S45 C51 C55 | C43-S45 VanDerWaalsContact C-N 3.27Å; C43-S45 PolarHBondContact O-N 3.04Å; C43-C51 HydrophobicContact CB-CB 3.43Å; C43-C51 VanDerWaalsContact CB-CB 3.43Å; C43-C51 WeakPolarHBondContact CB-SG 3.49Å; C43-C51 WeakPolarHBondContact SG-CB 3.27Å; C43-C51 PolarHBondContact SG-O 2.81Å; C43-C51 CovalentContact SG-SG 1.99Å; C43-C51 PolarHBondContact SG-SG 3.31Å; C43-C55 PolarHBondContact SG-SG 3.1Å |
| 44 | Q | 48.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 99.4 Ų | 99.4 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | trans | -87.7 | 21.2 | -164.7 | -138.7 | 176.8 | 11 | 0 | 0 | 114.4 | E24 Y42 S46 | E24-Q44 PolarHBondContact OE2-NE2 2.99Å; E24-Q44 PolarHBondContact OE2-OE1 3.34Å; Y42-Q44 HydrophobicContact CD2-CB 4.27Å; Y42-Q44 HydrophobicContact CD2-CG 4.13Å; Y42-Q44 HydrophobicContact CE2-CB 4.38Å; Y42-Q44 HydrophobicContact CE2-CG 3.98Å; Q44-S46 PolarHBondContact O-N 2.9Å | ||
| 45 | S | 43.6 | Very low | 47.6 | Very low | 70 Ų | 70 | 92.4 Ų | 92.4 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | trans | -77.2 | 114.2 | -179.4 | -78.3 | 0 | 0 | 0 | 0 | 111.8 | C43 S47 | C43-S45 VanDerWaalsContact C-N 3.27Å; C43-S45 PolarHBondContact O-N 3.04Å; S45-S47 PolarHBondContact O-N 3.38Å | ||
| 46 | S | 42.9 | Very low | 48.3 | Very low | 122 Ų | 122 | 87.8 Ų | 87.8 | 85% | 0.853 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -73.5 | 21.5 | -172.6 | -31.7 | 0 | 0 | 0 | 0 | 115.7 | Q44 | Q44-S46 PolarHBondContact O-N 2.9Š|
| 47 | S | 45 | Very low | 49.1 | Very low | 106 Ų | 106 | 80.8 Ų | 80.8 | 74% | 0.741 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -156.8 | 116.6 | 179.4 | -69 | 0 | 0 | 0 | 0 | 110.4 | S45 | S45-S47 PolarHBondContact O-N 3.38Š|
| 48 | D | 44.2 | Very low | 50 | Low | 142 Ų | 142 | 75.8 Ų | 75.8 | 76% | 0.759 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 62.5 | 143.9 | 173.3 | -109.4 | -96 | 0 | 0 | 0 | 117.5 | D50 | D48-D50 PolarHBondContact O-N 2.74Š|
| 49 | G | 49.9 | Very low | 50.7 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 34.7 | -168 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 50 | D | 56.2 | Low | 51.4 | Low | 88 Ų | 88 | 70.8 Ų | 70.8 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.5 | -172.6 | -83.3 | -59.1 | 0 | 0 | 0 | 114.6 | D48 S52 K53 A54 | D48-D50 PolarHBondContact O-N 2.74Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.38Å; D50-K53 PolarHBondContact O-N 2.68Å; D50-K53 VanDerWaalsContact O-N 3.09Å; D50-A54 VanDerWaalsContact O-CB 3.32Å; D50-A54 WeakPolarHBondContact O-CB 3.15Å; D50-A54 PolarHBondContact O-N 3.06Å |
| 51 | C | 51 | Low | 52.2 | Low | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | -173.9 | -155.5 | 0 | 0 | 0 | 0 | 111.8 | C43 K53 A54 C55 | C43-C51 HydrophobicContact CB-CB 3.43Å; C43-C51 VanDerWaalsContact CB-CB 3.43Å; C43-C51 WeakPolarHBondContact CB-SG 3.49Å; C43-C51 WeakPolarHBondContact SG-CB 3.27Å; C43-C51 PolarHBondContact SG-O 2.81Å; C43-C51 CovalentContact SG-SG 1.99Å; C43-C51 PolarHBondContact SG-SG 3.31Å; C51-K53 VanDerWaalsContact C-N 3.35Å; C51-K53 PolarHBondContact O-N 3.37Å; C51-A54 PolarHBondContact O-N 3.15Å; C51-C55 PolarHBondContact O-N 2.95Å; C51-C55 PolarHBondContact O-SG 3.36Å |
| 52 | S | 53.7 | Low | 52.6 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.5 | -35.7 | 0 | 0 | 0 | 0 | 113.1 | D50 G56 | D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.38Å; S52-G56 PolarHBondContact O-N 3.15Å |
| 53 | K | 53.2 | Low | 53.1 | Low | 144 Ų | 144 | 73.3 Ų | 73.3 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.9 | -45.4 | 178.3 | -80.2 | -177.6 | 177.1 | 166.3 | 0 | 111.3 | D50 C51 C55 G56 S57 | D50-K53 PolarHBondContact O-N 2.68Å; D50-K53 VanDerWaalsContact O-N 3.09Å; C51-K53 VanDerWaalsContact C-N 3.35Å; C51-K53 PolarHBondContact O-N 3.37Å; K53-C55 VanDerWaalsContact C-N 3.35Å; K53-C55 PolarHBondContact O-N 3.33Å; K53-G56 CarbonylContact O-C 3.59Å; K53-G56 WeakPolarHBondContact O-CA 3.12Å; K53-G56 PolarHBondContact O-N 3.46Å; K53-G56 VanDerWaalsContact O-N 3.11Å; K53-S57 PolarHBondContact O-N 3.04Å; K53-S57 PolarHBondContact O-OG 2.95Å |
| 54 | A | 52.8 | Low | 53.6 | Low | 44 Ų | 44 | 75.5 Ų | 75.5 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D50 C51 G56 S57 V58 | D50-A54 VanDerWaalsContact O-CB 3.32Å; D50-A54 WeakPolarHBondContact O-CB 3.15Å; D50-A54 PolarHBondContact O-N 3.06Å; C51-A54 PolarHBondContact O-N 3.15Å; A54-G56 PolarHBondContact O-N 3.22Å; A54-S57 PolarHBondContact O-N 3.5Å; A54-V58 WeakPolarHBondContact O-CG2 3.44Å; A54-V58 PolarHBondContact O-N 2.67Å |
| 55 | C | 54.5 | Low | 54.1 | Low | 8 Ų | 8 | 75.4 Ų | 75.4 | 5% | 0.054 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.3 | -42.8 | 0 | 0 | 0 | 0 | 111.3 | C21 C43 C51 K53 S57 V58 F59 | C21-C55 HydrophobicContact CB-CB 4.3Å; C21-C55 WeakPolarHBondContact CB-SG 3.04Å; C21-C55 VanDerWaalsContact SG-CA 3.51Å; C21-C55 WeakPolarHBondContact SG-CB 3.21Å; C21-C55 CovalentContact SG-SG 2.05Å; C21-C55 PolarHBondContact SG-SG 3.04Å; C43-C55 PolarHBondContact SG-SG 3.1Å; C51-C55 PolarHBondContact O-N 2.95Å; C51-C55 PolarHBondContact O-SG 3.36Å; K53-C55 VanDerWaalsContact C-N 3.35Å; K53-C55 PolarHBondContact O-N 3.33Å; C55-S57 PolarHBondContact O-N 3.39Å; C55-V58 WeakPolarHBondContact O-CB 3.31Å; C55-V58 PolarHBondContact O-N 2.91Å; C55-F59 HydrophobicContact CB-CE2 4.11Å; C55-F59 WeakPolarHBondContact O-CD2 3.37Å; C55-F59 WeakPolarHBondContact O-CE2 3.48Å; C55-F59 PolarHBondContact O-N 3.31Å; C55-F59 VanDerWaalsContact O-N 3.1Å |
| 56 | G | 58 | Low | 54.3 | Low | 21 Ų | 21 | 72.9 Ų | 72.9 | 22% | 0.216 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -54.2 | -51 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S52 K53 A54 V58 F59 E60 | S52-G56 PolarHBondContact O-N 3.15Å; K53-G56 CarbonylContact O-C 3.59Å; K53-G56 WeakPolarHBondContact O-CA 3.12Å; K53-G56 PolarHBondContact O-N 3.46Å; K53-G56 VanDerWaalsContact O-N 3.11Å; A54-G56 PolarHBondContact O-N 3.22Å; G56-V58 VanDerWaalsContact C-N 3.31Å; G56-V58 PolarHBondContact O-N 3.11Å; G56-F59 PolarHBondContact O-N 3.21Å; G56-F59 VanDerWaalsContact O-N 3.15Å; G56-E60 PolarHBondContact O-N 3.04Å; G56-E60 VanDerWaalsContact O-N 3.1Å |
| 57 | S | 58.7 | Low | 54.7 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | K53 A54 C55 E60 N61 | K53-S57 PolarHBondContact O-N 3.04Å; K53-S57 PolarHBondContact O-OG 2.95Å; A54-S57 PolarHBondContact O-N 3.5Å; C55-S57 PolarHBondContact O-N 3.39Å; S57-E60 PolarHBondContact O-N 3.29Å; S57-N61 WeakPolarHBondContact O-CB 3.26Å; S57-N61 PolarHBondContact O-N 3.41Å; S57-N61 PolarHBondContact O-ND2 3.01Å |
| 58 | V | 58 | Low | 55.1 | Low | 18 Ų | 18 | 71.6 Ų | 71.6 | 11% | 0.109 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 171.3 | 168.3 | 0 | 0 | 0 | 0 | 110 | I15 N19 A54 C55 G56 E60 N61 L62 | I15-V58 HydrophobicContact CG2-CG1 3.59Å; N19-V58 HydrophobicContact CB-CG2 3.71Å; A54-V58 WeakPolarHBondContact O-CG2 3.44Å; A54-V58 PolarHBondContact O-N 2.67Å; C55-V58 WeakPolarHBondContact O-CB 3.31Å; C55-V58 PolarHBondContact O-N 2.91Å; G56-V58 VanDerWaalsContact C-N 3.31Å; G56-V58 PolarHBondContact O-N 3.11Å; V58-E60 PolarHBondContact O-N 3.03Å; V58-N61 CarbonylContact O-C 3.52Å; V58-N61 PolarHBondContact O-N 3.45Å; V58-L62 WeakPolarHBondContact O-CG 3.07Å; V58-L62 PolarHBondContact O-N 3.08Å |
| 59 | F | 60.1 | Low | 55.7 | Low | 29 Ų | 29 | 67.8 Ų | 67.8 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.7 | -64.2 | -71.5 | 0 | 0 | 0 | 113.4 | A4 I16 C55 G56 N61 L62 | A4-F59 HydrophobicContact CB-CE1 3.41Å; A4-F59 VanDerWaalsContact CB-CE1 3.41Å; A4-F59 HydrophobicContact CB-CE2 3.95Å; A4-F59 HydrophobicContact CB-CZ 3.08Å; I16-F59 HydrophobicContact CD1-CE1 3.82Å; I16-F59 HydrophobicContact CD1-CE2 4.48Å; I16-F59 HydrophobicContact CD1-CZ 3.36Å; I16-F59 HydrophobicContact CG1-CE1 4.14Å; I16-F59 HydrophobicContact CG1-CE2 4.46Å; I16-F59 HydrophobicContact CG1-CZ 3.61Å; C55-F59 HydrophobicContact CB-CE2 4.11Å; C55-F59 WeakPolarHBondContact O-CD2 3.37Å; C55-F59 WeakPolarHBondContact O-CE2 3.48Å; C55-F59 PolarHBondContact O-N 3.31Å; C55-F59 VanDerWaalsContact O-N 3.1Å; G56-F59 PolarHBondContact O-N 3.21Å; G56-F59 VanDerWaalsContact O-N 3.15Å; F59-N61 PolarHBondContact O-N 3.41Å; F59-L62 HydrophobicContact CD1-CD1 3.79Å; F59-L62 HydrophobicContact CE1-CD1 4.36Å; F59-L62 PolarHBondContact O-N 2.8Å |
| 60 | E | 61.1 | Low | 56.1 | Low | 162 Ų | 162 | 67.9 Ų | 67.9 | 76% | 0.757 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.6 | -24.8 | 177.6 | -68 | -176.5 | 112.5 | 0 | 0 | 112.7 | G56 S57 V58 | G56-E60 PolarHBondContact O-N 3.04Å; G56-E60 VanDerWaalsContact O-N 3.1Å; S57-E60 PolarHBondContact O-N 3.29Å; V58-E60 PolarHBondContact O-N 3.03Å |
| 61 | N | 61.2 | Low | 56 | Low | 135 Ų | 135 | 66.7 Ų | 66.7 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.1 | 176.2 | -73.2 | -82.6 | 0 | 0 | 0 | 113.4 | S57 V58 F59 | S57-N61 WeakPolarHBondContact O-CB 3.26Å; S57-N61 PolarHBondContact O-N 3.41Å; S57-N61 PolarHBondContact O-ND2 3.01Å; V58-N61 CarbonylContact O-C 3.52Å; V58-N61 PolarHBondContact O-N 3.45Å; F59-N61 PolarHBondContact O-N 3.41Å |
| 62 | L | 57.8 | Low | 56.4 | Low | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -69.7 | 131.2 | 171.5 | -75.8 | 176.6 | 0 | 0 | 0 | 108.9 | I15 V58 F59 A64 V66 | I15-L62 HydrophobicContact CB-CD2 4.27Å; I15-L62 HydrophobicContact CD1-CD2 3.29Å; I15-L62 HydrophobicContact CG1-CD2 4.33Å; I15-L62 HydrophobicContact CG2-CD2 3.88Å; V58-L62 WeakPolarHBondContact O-CG 3.07Å; V58-L62 PolarHBondContact O-N 3.08Å; F59-L62 HydrophobicContact CD1-CD1 3.79Å; F59-L62 HydrophobicContact CE1-CD1 4.36Å; F59-L62 PolarHBondContact O-N 2.8Å; L62-A64 PolarHBondContact O-N 3.48Å; L62-V66 HydrophobicContact CB-CB 4.47Å; L62-V66 HydrophobicContact CD1-CG1 4.32Å; L62-V66 HydrophobicContact CD2-CB 4.48Å; L62-V66 HydrophobicContact CD2-CG1 4.15Å |
| 63 | P | 57 | Low | 56.5 | Low | 77 Ų | 77 | 69.7 Ų | 69.7 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | trans | -58.5 | 142.4 | 171.1 | 18.4 | -22.1 | 0 | 0 | 0 | 108.9 | S65 V66 | P63-S65 PolarHBondContact O-N 3.45Å; P63-V66 HydrophobicContact CG-CG2 3.81Å; P63-V66 WeakPolarHBondContact O-CB 3.5Å; P63-V66 PolarHBondContact O-N 2.85Å | ||
| 64 | A | 59.6 | Low | 56.8 | Low | 83 Ų | 83 | 64.4 Ų | 64.4 | 69% | 0.686 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -55.9 | -16.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L62 V66 I67 | L62-A64 PolarHBondContact O-N 3.48Å; A64-V66 PolarHBondContact O-N 3.34Å; A64-I67 PolarHBondContact O-N 2.88Å |
| 65 | S | 58.2 | Low | 57.1 | Low | 105 Ų | 105 | 66 Ų | 66 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -68.2 | -12.4 | 172.3 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | P63 | P63-S65 PolarHBondContact O-N 3.45Š|
| 66 | V | 48.1 | Very low | 57.3 | Low | 18 Ų | 18 | 70.8 Ų | 70.8 | 11% | 0.109 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -105.8 | -2.5 | -176.9 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | E11 C12 I15 L62 P63 A64 | E11-V66 HydrophobicContact CB-CG1 4.21Å; C12-V66 PolarHBondContact SG-O 3.45Å; I15-V66 HydrophobicContact CD1-CG1 4.16Å; L62-V66 HydrophobicContact CB-CB 4.47Å; L62-V66 HydrophobicContact CD1-CG1 4.32Å; L62-V66 HydrophobicContact CD2-CB 4.48Å; L62-V66 HydrophobicContact CD2-CG1 4.15Å; P63-V66 HydrophobicContact CG-CG2 3.81Å; P63-V66 WeakPolarHBondContact O-CB 3.5Å; P63-V66 PolarHBondContact O-N 2.85Å; A64-V66 PolarHBondContact O-N 3.34Å |
| 67 | I | 49.8 | Very low | 57.2 | Low | 128 Ų | 128 | 75.4 Ų | 75.4 | 66% | 0.656 | 44% | 0.444 | S | S | * | . | trans | -102.6 | 0 | -179.9 | -43.4 | 177 | 0 | 0 | 0 | 109.4 | Y3 A64 | Y3-I67 HydrophobicContact CD1-CG2 3.43Å; Y3-I67 VanDerWaalsContact CD1-CG2 3.43Å; Y3-I67 HydrophobicContact CE1-CG2 3.3Å; Y3-I67 HydrophobicContact CG-CG2 4.27Å; A64-I67 PolarHBondContact O-N 2.88Å |
Retrieved 67 of 67 residues in 12 ms
(Link to these results)