| 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 | 38.1 | Very low | 39.5 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 100% | 1.182 | 81% | 0.805 | S | S | * | * | 0 | 103.8 | 0 | -68.3 | 166.2 | 176.4 | 0 | 0 | 104.7 | |||||
| 2 | E | 37.1 | Very low | 39.7 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | cis | -142.1 | 127.8 | 20 | -68.7 | 160.7 | 93.3 | 0 | 0 | 105.2 | ||||
| 3 | A | 34.5 | Very low | 39.8 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | 58.9 | 108.1 | 56.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 4 | F | 40.8 | Very low | 39.7 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | 66.5 | 103.2 | 145.1 | -79 | -101.8 | 0 | 0 | 0 | 119 | ||||
| 5 | S | 37.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 162.9 | 88.2 | 118.2 | -79.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 6 | Q | 42.3 | Very low | 40.1 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | trans | -151.9 | 41.1 | 148.6 | -83 | -138.1 | 35.5 | 0 | 0 | 110.9 | ||||
| 7 | L | 45.7 | Very low | 40.5 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -85 | 147.7 | 147.7 | -86.5 | 160.4 | 0 | 0 | 0 | 107 | ||||
| 8 | I | 43.7 | Very low | 40.6 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | 93.9 | 95.7 | 171.4 | -47.8 | 157.2 | 0 | 0 | 0 | 113.3 | ||||
| 9 | F | 35.6 | Very low | 40.8 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 80% | 0.803 | 71% | 0.709 | S | S | * | * | -176.4 | 77.9 | 115.6 | -89.1 | -66 | 0 | 0 | 0 | 110.6 | G11 | F9-G11 PolarHBondContact O-N 3.18Š| |||
| 10 | P | 38.5 | Very low | 40.8 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 62.7 | 159.4 | 35.8 | -30.1 | 0 | 0 | 0 | 108 | ||
| 11 | G | 40.3 | Very low | 40.9 | Very low | 31 Ų | 31 | 127 Ų | 127 | 32% | 0.32 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.2 | -9.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F9 | F9-G11 PolarHBondContact O-N 3.18Š|
| 12 | S | 42.4 | Very low | 40.7 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -86.6 | -33.3 | -168.9 | -154.5 | 0 | 0 | 0 | 0 | 113.5 | V16 | S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.47Å |
| 13 | A | 40.9 | Very low | 41.1 | Very low | 83 Ų | 83 | 118.3 Ų | 118.3 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.5 | -36.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | N17 | A13-N17 PolarHBondContact O-N 2.95Å |
| 14 | G | 37.9 | Very low | 41.6 | Very low | 56 Ų | 56 | 118.1 Ų | 118.1 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.6 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A18 | G14-A18 PolarHBondContact O-N 3.41Å; G14-A18 VanDerWaalsContact O-N 3.15Å |
| 15 | R | 40.4 | Very low | 41.7 | Very low | 187 Ų | 187 | 113.1 Ų | 113.1 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.5 | -37.9 | -180 | -169.2 | 176.3 | -80.2 | 160.6 | -6 | 111.8 | S19 | R15-S19 PolarHBondContact O-N 3.31Å; R15-S19 PolarHBondContact O-OG 3.24Å |
| 16 | V | 46 | Very low | 42.2 | Very low | 86 Ų | 86 | 109.3 Ų | 109.3 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.4 | -38.1 | 177 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | S12 R20 | S12-V16 VanDerWaalsContact O-CG2 3.24Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 3.47Å; V16-R20 WeakPolarHBondContact O-CB 3.38Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-R20 VanDerWaalsContact O-N 3.09Å |
| 17 | N | 45.9 | Very low | 42.6 | Very low | 109 Ų | 109 | 104.8 Ų | 104.8 | 58% | 0.583 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.9 | -39.4 | 178.4 | -99.2 | -10.2 | 0 | 0 | 0 | 113.3 | A13 R20 M21 | A13-N17 PolarHBondContact O-N 2.95Å; N17-R20 PolarHBondContact O-N 3.32Å; N17-M21 VanDerWaalsContact O-CB 3.31Å; N17-M21 WeakPolarHBondContact O-CB 3.42Å; N17-M21 PolarHBondContact O-N 3.06Å |
| 18 | A | 43.4 | Very low | 42.7 | Very low | 52 Ų | 52 | 104.6 Ų | 104.6 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.4 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G14 R20 M21 M22 | G14-A18 PolarHBondContact O-N 3.41Å; G14-A18 VanDerWaalsContact O-N 3.15Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.09Å; A18-M21 PolarHBondContact O-N 3.49Å; A18-M22 WeakPolarHBondContact O-CG 3.26Å; A18-M22 PolarHBondContact O-N 3.05Å |
| 19 | S | 43.1 | Very low | 43.4 | Very low | 68 Ų | 68 | 101.6 Ų | 101.6 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -36.4 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | R15 M21 T23 | R15-S19 PolarHBondContact O-N 3.31Å; R15-S19 PolarHBondContact O-OG 3.24Å; S19-M21 VanDerWaalsContact C-N 3.32Å; S19-T23 WeakPolarHBondContact O-CG2 3.49Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.73Å |
| 20 | R | 42.7 | Very low | 44.3 | Very low | 186 Ų | 186 | 101.4 Ų | 101.4 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.8 | -27.5 | 176.9 | -144.6 | 177.5 | -150.5 | -178 | 5.5 | 112.8 | V16 N17 A18 T23 S24 | V16-R20 WeakPolarHBondContact O-CB 3.38Å; V16-R20 PolarHBondContact O-N 2.88Å; V16-R20 VanDerWaalsContact O-N 3.09Å; N17-R20 PolarHBondContact O-N 3.32Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.09Å; R20-T23 VanDerWaalsContact C-OG1 3.29Å; R20-T23 WeakPolarHBondContact CA-OG1 3.27Å; R20-T23 PolarHBondContact O-OG1 3.38Å; R20-S24 PolarHBondContact O-N 3.43Å |
| 21 | M | 41.1 | Very low | 45.4 | Very low | 85 Ų | 85 | 98.8 Ų | 98.8 | 42% | 0.419 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -85.5 | -38.2 | -178.9 | -163.1 | 169.2 | 146 | 0 | 0 | 112.4 | N17 A18 S19 T23 S24 C25 W161 | N17-M21 VanDerWaalsContact O-CB 3.31Å; N17-M21 WeakPolarHBondContact O-CB 3.42Å; N17-M21 PolarHBondContact O-N 3.06Å; A18-M21 PolarHBondContact O-N 3.49Å; S19-M21 VanDerWaalsContact C-N 3.32Å; M21-T23 VanDerWaalsContact C-N 3.32Å; M21-T23 PolarHBondContact O-N 2.94Å; M21-S24 PolarHBondContact O-N 3.22Å; M21-C25 PolarHBondContact O-N 3.35Å; M21-C25 VanDerWaalsContact O-N 3.14Å; M21-W161 HydrophobicContact CE-CD2 4.13Å; M21-W161 VanDerWaalsContact CE-CE2 3.44Å; M21-W161 HydrophobicContact CE-CE3 4.3Å; M21-W161 HydrophobicContact CE-CH2 3.25Å; M21-W161 HydrophobicContact CE-CZ2 3Å; M21-W161 HydrophobicContact CE-CZ3 3.89Å; M21-W161 HydrophobicContact SD-CH2 4.19Å; M21-W161 HydrophobicContact SD-CZ2 3.35Å; M21-W161 WeakPolarHBondContact SD-CZ2 3.02Å |
| 22 | M | 35.3 | Very low | 46.4 | Very low | 153 Ų | 153 | 100.9 Ų | 100.9 | 75% | 0.754 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.7 | -35.7 | 172.1 | -72.9 | 179.1 | 75.1 | 0 | 0 | 112.1 | A18 G26 | A18-M22 WeakPolarHBondContact O-CG 3.26Å; A18-M22 PolarHBondContact O-N 3.05Å; M22-G26 PolarHBondContact O-N 2.99Å |
| 23 | T | 44.5 | Very low | 47.2 | Very low | 89 Ų | 89 | 99.6 Ų | 99.6 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 174.9 | 43.4 | 0 | 0 | 0 | 0 | 112.4 | S19 R20 M21 Q27 | S19-T23 WeakPolarHBondContact O-CG2 3.49Å; S19-T23 PolarHBondContact O-N 3.09Å; S19-T23 PolarHBondContact O-OG1 2.73Å; R20-T23 VanDerWaalsContact C-OG1 3.29Å; R20-T23 WeakPolarHBondContact CA-OG1 3.27Å; R20-T23 PolarHBondContact O-OG1 3.38Å; M21-T23 VanDerWaalsContact C-N 3.32Å; M21-T23 PolarHBondContact O-N 2.94Å; T23-Q27 VanDerWaalsContact O-CB 3.24Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 PolarHBondContact O-N 3.22Å |
| 24 | S | 45.1 | Very low | 48.3 | Very low | 80 Ų | 80 | 97.8 Ų | 97.8 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 113.8 | R20 M21 R28 | R20-S24 PolarHBondContact O-N 3.43Å; M21-S24 PolarHBondContact O-N 3.22Å; S24-R28 PolarHBondContact O-N 3.2Å |
| 25 | C | 42.8 | Very low | 49.5 | Very low | 93 Ų | 93 | 99 Ų | 99 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.8 | -42.7 | 174.4 | -96.9 | 0 | 0 | 0 | 0 | 111.5 | M21 R28 S29 | M21-C25 PolarHBondContact O-N 3.35Å; M21-C25 VanDerWaalsContact O-N 3.14Å; C25-R28 PolarHBondContact O-N 3.1Å; C25-S29 PolarHBondContact O-N 3.09Å; C25-S29 VanDerWaalsContact O-N 3.1Å; C25-S29 PolarHBondContact O-OG 3.47Å |
| 26 | G | 48.6 | Very low | 50.5 | Low | 31 Ų | 31 | 95.4 Ų | 95.4 | 32% | 0.32 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M22 S29 R30 | M22-G26 PolarHBondContact O-N 2.99Å; G26-S29 PolarHBondContact O-OG 2.88Å; G26-R30 WeakPolarHBondContact O-CB 3.21Å; G26-R30 WeakPolarHBondContact O-CG 3.32Å; G26-R30 PolarHBondContact O-N 3.33Å |
| 27 | Q | 50.7 | Low | 51.3 | Low | 106 Ų | 106 | 93.2 Ų | 93.2 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 176.9 | -163.7 | 72.3 | 12.2 | 0 | 0 | 111.6 | T23 R30 N31 | T23-Q27 VanDerWaalsContact O-CB 3.24Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 PolarHBondContact O-N 3.22Å; Q27-R30 PolarHBondContact O-N 3.38Å; Q27-N31 WeakPolarHBondContact O-CB 3.19Å; Q27-N31 PolarHBondContact O-N 3.39Å; Q27-N31 PolarHBondContact O-ND2 3.48Å; Q27-N31 VanDerWaalsContact O-ND2 3.16Å |
| 28 | R | 48.4 | Very low | 52 | Low | 154 Ų | 154 | 94 Ų | 94 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.1 | -40.1 | -179.8 | -167.1 | 176.9 | -178.4 | -171.9 | -0 | 112.1 | S24 C25 N31 V32 | S24-R28 PolarHBondContact O-N 3.2Å; C25-R28 PolarHBondContact O-N 3.1Å; R28-N31 PolarHBondContact O-N 3.01Å; R28-V32 WeakPolarHBondContact O-CG2 3.27Å; R28-V32 PolarHBondContact O-N 2.87Å |
| 29 | S | 56.8 | Low | 52.6 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 173 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | C25 G26 N31 V32 L33 | C25-S29 PolarHBondContact O-N 3.09Å; C25-S29 VanDerWaalsContact O-N 3.1Å; C25-S29 PolarHBondContact O-OG 3.47Å; G26-S29 PolarHBondContact O-OG 2.88Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.41Å; S29-V32 PolarHBondContact O-N 3.38Å; S29-L33 VanDerWaalsContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CB 3.22Å; S29-L33 PolarHBondContact O-N 2.68Å |
| 30 | R | 55.8 | Low | 53.2 | Low | 178 Ų | 178 | 98.6 Ų | 98.6 | 67% | 0.672 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -41.4 | 171.1 | -91.4 | 179.2 | 151.2 | 171.5 | -5.6 | 112.7 | G26 Q27 L33 A34 | G26-R30 WeakPolarHBondContact O-CB 3.21Å; G26-R30 WeakPolarHBondContact O-CG 3.32Å; G26-R30 PolarHBondContact O-N 3.33Å; Q27-R30 PolarHBondContact O-N 3.38Å; R30-L33 PolarHBondContact O-N 3.27Å; R30-A34 WeakPolarHBondContact O-CB 3.31Å; R30-A34 PolarHBondContact O-N 3.49Å |
| 31 | N | 60.4 | Low | 53.8 | Low | 86 Ų | 86 | 93.2 Ų | 93.2 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.5 | -73 | -23.3 | 0 | 0 | 0 | 111.9 | Q27 R28 S29 A34 V35 | Q27-N31 WeakPolarHBondContact O-CB 3.19Å; Q27-N31 PolarHBondContact O-N 3.39Å; Q27-N31 PolarHBondContact O-ND2 3.48Å; Q27-N31 VanDerWaalsContact O-ND2 3.16Å; R28-N31 PolarHBondContact O-N 3.01Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.41Å; N31-A34 PolarHBondContact O-N 3.28Å; N31-V35 WeakPolarHBondContact O-CB 3.14Å; N31-V35 WeakPolarHBondContact O-CG2 3.43Å; N31-V35 PolarHBondContact O-N 2.85Å |
| 32 | V | 61.5 | Low | 54.2 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | R28 S29 A34 V35 F36 | R28-V32 WeakPolarHBondContact O-CG2 3.27Å; R28-V32 PolarHBondContact O-N 2.87Å; S29-V32 PolarHBondContact O-N 3.38Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.95Å; V32-V35 PolarHBondContact O-N 3.47Å; V32-F36 HydrophobicContact CG1-CD2 3.71Å; V32-F36 HydrophobicContact CG1-CE2 3.75Å; V32-F36 VanDerWaalsContact O-CD2 3.29Å; V32-F36 WeakPolarHBondContact O-CD2 3.31Å; V32-F36 PolarHBondContact O-N 3.22Å |
| 33 | L | 60.3 | Low | 54.8 | Low | 64 Ų | 64 | 90.1 Ų | 90.1 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.1 | -165.2 | 71.1 | 0 | 0 | 0 | 111.6 | S29 R30 F36 S37 F127 L130 | S29-L33 VanDerWaalsContact O-CB 3.28Å; S29-L33 WeakPolarHBondContact O-CB 3.22Å; S29-L33 PolarHBondContact O-N 2.68Å; R30-L33 PolarHBondContact O-N 3.27Å; L33-F36 PolarHBondContact O-N 2.77Å; L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 3.46Å; L33-F127 HydrophobicContact CD2-CE2 4.11Å; L33-L130 HydrophobicContact CD1-CD2 3.54Å |
| 34 | A | 63.4 | Low | 55 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R30 N31 V32 S37 L38 | R30-A34 WeakPolarHBondContact O-CB 3.31Å; R30-A34 PolarHBondContact O-N 3.49Å; N31-A34 PolarHBondContact O-N 3.28Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.95Å; A34-S37 PolarHBondContact O-N 2.82Å; A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 2.79Å |
| 35 | V | 64.3 | Low | 54.9 | Low | 80 Ų | 80 | 91.2 Ų | 91.2 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | N31 V32 L38 L39 | N31-V35 WeakPolarHBondContact O-CB 3.14Å; N31-V35 WeakPolarHBondContact O-CG2 3.43Å; N31-V35 PolarHBondContact O-N 2.85Å; V32-V35 PolarHBondContact O-N 3.47Å; V35-L38 PolarHBondContact O-N 2.8Å; V35-L39 HydrophobicContact CG1-CD1 3.68Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.15Å |
| 36 | F | 60.1 | Low | 54.8 | Low | 112 Ų | 112 | 90.4 Ų | 90.4 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 173.7 | -88.1 | -74.5 | 0 | 0 | 0 | 111.4 | V32 L33 L38 L39 F40 | V32-F36 HydrophobicContact CG1-CD2 3.71Å; V32-F36 HydrophobicContact CG1-CE2 3.75Å; V32-F36 VanDerWaalsContact O-CD2 3.29Å; V32-F36 WeakPolarHBondContact O-CD2 3.31Å; V32-F36 PolarHBondContact O-N 3.22Å; L33-F36 PolarHBondContact O-N 2.77Å; F36-L38 PolarHBondContact O-N 2.79Å; F36-L39 PolarHBondContact O-N 3.36Å; F36-L39 VanDerWaalsContact O-N 3.09Å; F36-F40 HydrophobicContact CB-CD2 4.42Å; F36-F40 HydrophobicContact CB-CE2 3.92Å; F36-F40 AromaticContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CZ 4.15Å; F36-F40 HydrophobicContact CG-CE2 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.35Å; F36-F40 PolarHBondContact O-N 3.39Å |
| 37 | S | 62.2 | Low | 54.7 | Low | 40 Ų | 40 | 95.7 Ų | 95.7 | 28% | 0.28 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -27.1 | 176 | -66.5 | 0 | 0 | 0 | 0 | 114 | L33 A34 P41 | L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 3.46Å; A34-S37 PolarHBondContact O-N 2.82Å; S37-P41 WeakPolarHBondContact O-CD 3.34Å; S37-P41 WeakPolarHBondContact O-CG 3.25Å |
| 38 | L | 60.8 | Low | 54.6 | Low | 126 Ų | 126 | 98.3 Ų | 98.3 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -84.7 | -30.4 | 174.8 | -71.5 | 169.2 | 0 | 0 | 0 | 112.6 | A34 V35 F36 P41 | A34-L38 WeakPolarHBondContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CG 3.31Å; A34-L38 PolarHBondContact O-N 2.79Å; V35-L38 PolarHBondContact O-N 2.8Å; F36-L38 PolarHBondContact O-N 2.79Å; L38-P41 WeakPolarHBondContact O-CD 3.25Å; L38-P41 WeakPolarHBondContact O-CG 3.2Å |
| 39 | L | 57.7 | Low | 55.2 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76.4 | -35.4 | 179.2 | -72.7 | 169.3 | 0 | 0 | 0 | 112.7 | V35 F36 A42 V43 | V35-L39 HydrophobicContact CG1-CD1 3.68Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.34Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 3.36Å; F36-L39 VanDerWaalsContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 2.93Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-V43 VanDerWaalsContact O-N 3.11Å |
| 40 | F | 54.2 | Low | 55.2 | Low | 120 Ų | 120 | 97.4 Ų | 97.4 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -49.1 | 177.6 | -73.5 | -65.8 | 0 | 0 | 0 | 114.2 | F36 A42 V43 L44 | F36-F40 HydrophobicContact CB-CD2 4.42Å; F36-F40 HydrophobicContact CB-CE2 3.92Å; F36-F40 AromaticContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CE2 3.95Å; F36-F40 HydrophobicContact CD1-CZ 4.15Å; F36-F40 HydrophobicContact CG-CE2 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.35Å; F36-F40 PolarHBondContact O-N 3.39Å; F40-A42 VanDerWaalsContact C-N 3.35Å; F40-A42 PolarHBondContact O-N 3.42Å; F40-V43 PolarHBondContact O-N 2.94Å; F40-L44 WeakPolarHBondContact O-CD1 3.41Å; F40-L44 PolarHBondContact O-N 2.84Å; F40-L44 VanDerWaalsContact O-N 3.13Å |
| 41 | P | 55 | Low | 55.6 | Low | 73 Ų | 73 | 89 Ų | 89 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -30.7 | 178 | 23.8 | -31.5 | 0 | 0 | 0 | 113.1 | S37 L38 S45 | S37-P41 WeakPolarHBondContact O-CD 3.34Å; S37-P41 WeakPolarHBondContact O-CG 3.25Å; L38-P41 WeakPolarHBondContact O-CD 3.25Å; L38-P41 WeakPolarHBondContact O-CG 3.2Å; P41-S45 WeakPolarHBondContact O-CB 3.19Å; P41-S45 PolarHBondContact O-N 3.33Å |
| 42 | A | 50 | Low | 55.6 | Low | 62 Ų | 62 | 91.9 Ų | 91.9 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L39 F40 | L39-A42 PolarHBondContact O-N 2.93Å; F40-A42 VanDerWaalsContact C-N 3.35Å; F40-A42 PolarHBondContact O-N 3.42Å |
| 43 | V | 48.6 | Very low | 55.6 | Low | 111 Ų | 111 | 91.4 Ų | 91.4 | 67% | 0.673 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.4 | -35.7 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L39 F40 S45 A46 | L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-V43 VanDerWaalsContact O-N 3.11Å; F40-V43 PolarHBondContact O-N 2.94Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-A46 PolarHBondContact O-N 3.31Å |
| 44 | L | 47.9 | Very low | 55.6 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.6 | -22.9 | 175.6 | -77.9 | 156.8 | 0 | 0 | 0 | 113.3 | F40 A46 H47 | F40-L44 WeakPolarHBondContact O-CD1 3.41Å; F40-L44 PolarHBondContact O-N 2.84Å; F40-L44 VanDerWaalsContact O-N 3.13Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.46Å; L44-H47 PolarHBondContact O-CD2 3.37Å |
| 45 | S | 43.8 | Very low | 55.3 | Low | 102 Ų | 102 | 92 Ų | 92 | 71% | 0.713 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -17.7 | 177 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | P41 V43 H47 | P41-S45 WeakPolarHBondContact O-CB 3.19Å; P41-S45 PolarHBondContact O-N 3.33Å; V43-S45 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 3.28Å; S45-H47 VanDerWaalsContact O-N 3.07Å |
| 46 | A | 39.6 | Very low | 55.3 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 26.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V43 L44 F48 | V43-A46 PolarHBondContact O-N 3.31Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.46Å; A46-F48 PolarHBondContact O-N 2.89Å |
| 47 | H | 47.4 | Very low | 55.5 | Low | 141 Ų | 141 | 89.9 Ų | 89.9 | 65% | 0.653 | 49% | 0.487 | S | S | * | . | trans | -70.6 | 106.1 | -178.2 | -118.4 | -90 | 0 | 0 | 0 | 110.3 | L44 S45 R49 | L44-H47 PolarHBondContact O-CD2 3.37Å; S45-H47 PolarHBondContact O-N 3.28Å; S45-H47 VanDerWaalsContact O-N 3.07Å; H47-R49 PolarHBondContact O-N 2.88Å | ||
| 48 | F | 49.1 | Very low | 55.8 | Low | 162 Ų | 162 | 94.5 Ų | 94.5 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | trans | -18.6 | 112.9 | 161.3 | -91.6 | -107 | 0 | 0 | 0 | 112.7 | A46 V50 H66 | A46-F48 PolarHBondContact O-N 2.89Å; F48-V50 HydrophobicContact CB-CG2 3.92Å; F48-V50 WeakPolarHBondContact O-CG2 3.44Å; F48-V50 PolarHBondContact O-N 3.21Å; F48-H66 AromaticContact CD1-CE1 3.95Å; F48-H66 AromaticContact CD1-ND1 3.69Å | ||
| 49 | R | 60.4 | Low | 56 | Low | 140 Ų | 140 | 91.5 Ų | 91.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | trans | -75.5 | 77.8 | 175.2 | -63.1 | -97.1 | 176 | 106.3 | -3 | 108.6 | H47 V77 | H47-R49 PolarHBondContact O-N 2.88Å; R49-V77 WeakPolarHBondContact CB-O 3.42Å | ||
| 50 | V | 56.1 | Low | 56.6 | Low | 65 Ų | 65 | 94.6 Ų | 94.6 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.1 | 176.6 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | F48 E52 H66 | F48-V50 HydrophobicContact CB-CG2 3.92Å; F48-V50 WeakPolarHBondContact O-CG2 3.44Å; F48-V50 PolarHBondContact O-N 3.21Å; V50-E52 PolarHBondContact O-N 3.35Å; V50-H66 WeakPolarHBondContact CG2-CE1 3.2Å; V50-H66 WeakPolarHBondContact CG2-ND1 3.38Å |
| 51 | C | 64.6 | Low | 57.1 | Low | 3 Ų | 3 | 95.5 Ų | 95.5 | 2% | 0.02 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 115.5 | 169.5 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | G64 F65 C79 | C51-G64 CarbonylContact O-C 3.57Å; C51-G64 WeakPolarHBondContact O-CA 3.33Å; C51-F65 HydrophobicContact CB-CD2 4.31Å; C51-F65 HydrophobicContact CB-CE1 4.32Å; C51-F65 HydrophobicContact CB-CE2 4.09Å; C51-F65 HydrophobicContact CB-CZ 4.08Å; C51-F65 WeakPolarHBondContact CB-O 3.28Å; C51-F65 PolarHBondContact N-O 3.04Å; C51-F65 PolarHBondContact O-N 3.22Å; C51-F65 VanDerWaalsContact SG-CE2 3.5Å; C51-C79 WeakPolarHBondContact CA-SG 3.39Å; C51-C79 HydrophobicContact CB-CB 3.95Å; C51-C79 WeakPolarHBondContact CB-SG 3.2Å; C51-C79 WeakPolarHBondContact SG-CB 3.38Å; C51-C79 CovalentContact SG-SG 2.02Å; C51-C79 PolarHBondContact SG-SG 3.3Å |
| 52 | E | 60.5 | Low | 57.8 | Low | 146 Ų | 146 | 94.5 Ų | 94.5 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | trans | -58.8 | 143.1 | -179.7 | -67.7 | -179.9 | 127.7 | 0 | 0 | 111.9 | V50 K88 | V50-E52 PolarHBondContact O-N 3.35Å; E52-K88 PolarHBondContact O-NZ 3Å | ||
| 53 | P | 62 | Low | 58.6 | Low | 64 Ų | 64 | 99.5 Ų | 99.5 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | trans | -54.9 | 146 | 174.8 | 24.7 | -33.5 | 0 | 0 | 0 | 110.5 | Y61 H62 | P53-Y61 HydrophobicContact CB-CE1 4.45Å; P53-Y61 HydrophobicContact CB-CE2 4.11Å; P53-Y61 VanDerWaalsContact CB-OH 3.29Å; P53-Y61 WeakPolarHBondContact CB-OH 3.39Å; P53-H62 VanDerWaalsContact CA-O 3.27Å; P53-H62 WeakPolarHBondContact CA-O 3.42Å; P53-H62 WeakPolarHBondContact CB-O 3.29Å | ||
| 54 | Y | 60 | Low | 59.4 | Low | 27 Ų | 27 | 95.9 Ų | 95.9 | 11% | 0.106 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.6 | -178.2 | 66.4 | -88.2 | 0 | 0 | 0 | 111.3 | H62 V86 F87 K88 | Y54-H62 HydrophobicContact CD1-CB 4.01Å; Y54-H62 HydrophobicContact CD2-CB 4.1Å; Y54-H62 HydrophobicContact CE1-CB 3.64Å; Y54-H62 HydrophobicContact CE2-CB 3.67Å; Y54-H62 AromaticContact CE2-CD2 3.42Å; Y54-H62 VanDerWaalsContact CE2-CD2 3.42Å; Y54-H62 WeakPolarHBondContact CE2-CD2 2.88Å; Y54-H62 AromaticContact CE2-CG 3.57Å; Y54-H62 HydrophobicContact CG-CB 4.25Å; Y54-H62 VanDerWaalsContact CZ-CB 3.46Å; Y54-H62 AromaticContact CZ-CD2 3.91Å; Y54-H62 AromaticContact CZ-CG 3.56Å; Y54-H62 PolarHBondContact N-O 3.3Å; Y54-H62 VanDerWaalsContact N-O 3.08Å; Y54-H62 WeakPolarHBondContact O-CB 3.2Å; Y54-H62 PolarHBondContact O-N 3.47Å; Y54-V86 HydrophobicContact CD2-CG1 3.75Å; Y54-V86 WeakPolarHBondContact CD2-O 3.45Å; Y54-V86 HydrophobicContact CE2-CG1 3.89Å; Y54-V86 WeakPolarHBondContact CE2-O 3.17Å; Y54-V86 VanDerWaalsContact CZ-O 3.27Å; Y54-F87 WeakPolarHBondContact OH-CA 3.37Å; Y54-K88 HydrophobicContact CD1-CB 4.15Å; Y54-K88 HydrophobicContact CD1-CD 3.44Å; Y54-K88 VanDerWaalsContact CD1-CD 3.44Å; Y54-K88 HydrophobicContact CD1-CG 3.64Å; Y54-K88 HydrophobicContact CE1-CB 3.73Å; Y54-K88 HydrophobicContact CE1-CD 3.95Å; Y54-K88 HydrophobicContact CE1-CG 3.68Å; Y54-K88 HydrophobicContact CG-CD 4.07Å; Y54-K88 HydrophobicContact CG-CG 4.2Å; Y54-K88 PolarHBondContact OH-N 3.07Å |
| 55 | T | 56.1 | Low | 60.4 | Low | 96 Ų | 96 | 93.2 Ų | 93.2 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.2 | 172.7 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | R60 Y61 | T55-R60 CarbonylContact C-O 3.19Å; T55-R60 WeakPolarHBondContact CA-O 3.35Å; T55-Y61 HydrophobicContact CG2-CD2 4.01Å |
| 56 | D | 65.6 | Low | 61.3 | Low | 11 Ų | 11 | 93.2 Ų | 93.2 | 6% | 0.059 | 47% | 0.465 | C | S | . | . | trans | -62.1 | 158 | 173.7 | -165.3 | 9.5 | 0 | 0 | 0 | 111.5 | K58 G59 R60 V86 | D56-K58 PolarHBondContact O-N 3.23Å; D56-G59 WeakPolarHBondContact O-CA 3.39Å; D56-G59 PolarHBondContact O-N 3.44Å; D56-R60 HydrophobicContact CB-CB 4.01Å; D56-R60 WeakPolarHBondContact CB-O 3.24Å; D56-R60 PolarHBondContact N-O 3.09Å; D56-V86 HydrophobicContact CB-CG1 4.34Å; D56-V86 WeakPolarHBondContact OD1-CB 3.43Å; D56-V86 WeakPolarHBondContact OD1-CG2 3.36Å | ||
| 57 | H | 64 | Low | 62.4 | Low | 135 Ų | 135 | 90.2 Ų | 90.2 | 63% | 0.625 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -18.5 | 169.1 | 62.2 | -73 | 0 | 0 | 0 | 112.4 | G59 V86 | H57-G59 VanDerWaalsContact C-N 3.34Å; H57-V86 HydrophobicContact CB-CG2 3.96Å; H57-V86 WeakPolarHBondContact ND1-CG2 3.17Å |
| 58 | K | 68.4 | Low | 62.8 | Low | 137 Ų | 137 | 86.6 Ų | 86.6 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9.3 | 172.8 | -61.2 | 179.4 | -179 | 177.7 | 0 | 113.6 | D56 R60 | D56-K58 PolarHBondContact O-N 3.23Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.49Å; K58-R60 PolarHBondContact O-N 3.39Å |
| 59 | G | 65.4 | Low | 63.3 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 71.8 | 13 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D56 H57 | D56-G59 WeakPolarHBondContact O-CA 3.39Å; D56-G59 PolarHBondContact O-N 3.44Å; H57-G59 VanDerWaalsContact C-N 3.34Å |
| 60 | R | 69.4 | Low | 63 | Low | 162 Ų | 162 | 89.1 Ų | 89.1 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | trans | -85 | 128.4 | -179.9 | -66.1 | -177.2 | -179.5 | 163 | -1.6 | 110.5 | T55 D56 K58 H62 | T55-R60 CarbonylContact C-O 3.19Å; T55-R60 WeakPolarHBondContact CA-O 3.35Å; D56-R60 HydrophobicContact CB-CB 4.01Å; D56-R60 WeakPolarHBondContact CB-O 3.24Å; D56-R60 PolarHBondContact N-O 3.09Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 HydrophobicContact CB-CG 4.49Å; K58-R60 PolarHBondContact O-N 3.39Å; R60-H62 PolarHBondContact O-CD2 2.98Å | ||
| 61 | Y | 65.3 | Low | 62.7 | Low | 139 Ų | 139 | 92 Ų | 92 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.8 | -180 | -174.3 | -97.3 | 0 | 0 | 0 | 111.1 | P53 T55 F63 | P53-Y61 HydrophobicContact CB-CE1 4.45Å; P53-Y61 HydrophobicContact CB-CE2 4.11Å; P53-Y61 VanDerWaalsContact CB-OH 3.29Å; P53-Y61 WeakPolarHBondContact CB-OH 3.39Å; T55-Y61 HydrophobicContact CG2-CD2 4.01Å; Y61-F63 HydrophobicContact CD1-CD1 4.37Å; Y61-F63 HydrophobicContact CD1-CE1 4.27Å; Y61-F63 AromaticContact CE1-CD1 3.81Å; Y61-F63 HydrophobicContact CE1-CD1 3.81Å; Y61-F63 AromaticContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CG 4.39Å |
| 62 | H | 69.4 | Low | 62.4 | Low | 51 Ų | 51 | 94.4 Ų | 94.4 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.1 | 174.3 | -69 | -88.7 | 0 | 0 | 0 | 110.1 | P53 Y54 R60 F87 | P53-H62 VanDerWaalsContact CA-O 3.27Å; P53-H62 WeakPolarHBondContact CA-O 3.42Å; P53-H62 WeakPolarHBondContact CB-O 3.29Å; Y54-H62 HydrophobicContact CD1-CB 4.01Å; Y54-H62 HydrophobicContact CD2-CB 4.1Å; Y54-H62 HydrophobicContact CE1-CB 3.64Å; Y54-H62 HydrophobicContact CE2-CB 3.67Å; Y54-H62 AromaticContact CE2-CD2 3.42Å; Y54-H62 VanDerWaalsContact CE2-CD2 3.42Å; Y54-H62 WeakPolarHBondContact CE2-CD2 2.88Å; Y54-H62 AromaticContact CE2-CG 3.57Å; Y54-H62 HydrophobicContact CG-CB 4.25Å; Y54-H62 VanDerWaalsContact CZ-CB 3.46Å; Y54-H62 AromaticContact CZ-CD2 3.91Å; Y54-H62 AromaticContact CZ-CG 3.56Å; Y54-H62 PolarHBondContact N-O 3.3Å; Y54-H62 VanDerWaalsContact N-O 3.08Å; Y54-H62 WeakPolarHBondContact O-CB 3.2Å; Y54-H62 PolarHBondContact O-N 3.47Å; R60-H62 PolarHBondContact O-CD2 2.98Å; H62-F87 AromaticContact CE1-CE1 3.71Å |
| 63 | F | 66.5 | Low | 62.2 | Low | 168 Ų | 168 | 92.5 Ų | 92.5 | 74% | 0.737 | 48% | 0.477 | S | S | * | . | trans | -63.8 | 142.4 | 176.9 | -61 | -80.4 | 0 | 0 | 0 | 111.3 | Y61 | Y61-F63 HydrophobicContact CD1-CD1 4.37Å; Y61-F63 HydrophobicContact CD1-CE1 4.27Å; Y61-F63 AromaticContact CE1-CD1 3.81Å; Y61-F63 HydrophobicContact CE1-CD1 3.81Å; Y61-F63 AromaticContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CE1 3.92Å; Y61-F63 HydrophobicContact CE1-CG 4.39Å | ||
| 64 | G | 64.9 | Low | 62.1 | Low | 34 Ų | 34 | 98.3 Ų | 98.3 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | trans | -64.4 | 142.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | C51 | C51-G64 CarbonylContact O-C 3.57Å; C51-G64 WeakPolarHBondContact O-CA 3.33Å | ||
| 65 | F | 69.1 | Low | 62 | Low | 35 Ų | 35 | 99.8 Ų | 99.8 | 15% | 0.154 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.5 | 179.7 | 58 | -92 | 0 | 0 | 0 | 110.9 | C51 K88 | C51-F65 HydrophobicContact CB-CD2 4.31Å; C51-F65 HydrophobicContact CB-CE1 4.32Å; C51-F65 HydrophobicContact CB-CE2 4.09Å; C51-F65 HydrophobicContact CB-CZ 4.08Å; C51-F65 WeakPolarHBondContact CB-O 3.28Å; C51-F65 PolarHBondContact N-O 3.04Å; C51-F65 PolarHBondContact O-N 3.22Å; C51-F65 VanDerWaalsContact SG-CE2 3.5Å; F65-K88 HydrophobicContact CE1-CB 4.2Å; F65-K88 HydrophobicContact CZ-CB 4.07Å; F65-K88 VanDerWaalsContact CZ-O 3.28Å; F65-K88 WeakPolarHBondContact CZ-O 3.42Å |
| 66 | H | 63.3 | Low | 62 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 47% | 0.468 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.1 | 177.2 | -65.1 | -90 | 0 | 0 | 0 | 110.2 | F48 V50 | F48-H66 AromaticContact CD1-CE1 3.95Å; F48-H66 AromaticContact CD1-ND1 3.69Å; V50-H66 WeakPolarHBondContact CG2-CE1 3.2Å; V50-H66 WeakPolarHBondContact CG2-ND1 3.38Å |
| 67 | C | 62.4 | Low | 61.9 | Low | 15 Ų | 15 | 99.2 Ų | 99.2 | 10% | 0.101 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -100.7 | 142.9 | 168.6 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | F76 C90 | C67-F76 WeakPolarHBondContact CB-O 3.37Å; C67-C90 HydrophobicContact CB-CB 3.95Å; C67-C90 WeakPolarHBondContact CB-SG 3.42Å; C67-C90 WeakPolarHBondContact SG-CB 3.47Å; C67-C90 CovalentContact SG-SG 2.04Å; C67-C90 PolarHBondContact SG-SG 3.46Å |
| 68 | P | 57.1 | Low | 61.7 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | S | Bend | cis | -83.3 | 145.5 | -0.1 | 31.3 | -30.9 | 0 | 0 | 0 | 112.1 | ||
| 69 | R | 58.6 | Low | 61.7 | Low | 160 Ų | 160 | 89.3 Ų | 89.3 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 154.6 | 168.4 | -78 | -140.1 | 179.7 | 175.7 | 1.3 | 110.1 | S71 D72 | R69-S71 PolarHBondContact O-N 3.36Å; R69-D72 HydrophobicContact CB-CB 4.33Å; R69-D72 WeakPolarHBondContact O-CB 3.49Å; R69-D72 PolarHBondContact O-N 3.09Å |
| 70 | L | 54.5 | Low | 61.7 | Low | 195 Ų | 195 | 86.6 Ų | 86.6 | 100% | 1.021 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.1 | 179.6 | -156.6 | 71.6 | 0 | 0 | 0 | 114.1 | ||
| 71 | S | 49.6 | Very low | 61.6 | Low | 125 Ų | 125 | 83 Ų | 83 | 87% | 0.874 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.4 | 176.8 | -173 | 0 | 0 | 0 | 0 | 113.6 | R69 | R69-S71 PolarHBondContact O-N 3.36Š|
| 72 | D | 58.3 | Low | 61.6 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -108.5 | 151.6 | -171.5 | -152.7 | -10.2 | 0 | 0 | 0 | 110.9 | R69 F76 C90 | R69-D72 HydrophobicContact CB-CB 4.33Å; R69-D72 WeakPolarHBondContact O-CB 3.49Å; R69-D72 PolarHBondContact O-N 3.09Å; D72-F76 HydrophobicContact CB-CB 4.47Å; D72-F76 VanDerWaalsContact CG-CB 3.42Å; D72-F76 WeakPolarHBondContact OD1-CB 3.39Å; D72-F76 WeakPolarHBondContact OD1-CD2 3.2Å; D72-F76 WeakPolarHBondContact OD1-CG 3.22Å; D72-F76 WeakPolarHBondContact OD2-CB 3.29Å; D72-C90 WeakPolarHBondContact OD2-CB 3.37Å |
| 73 | N | 56.5 | Low | 61.2 | Low | 106 Ų | 106 | 85.3 Ų | 85.3 | 57% | 0.567 | 44% | 0.442 | S | S | * | . | trans | -70.5 | 153.8 | -178.2 | -161.7 | -27.3 | 0 | 0 | 0 | 110 | T75 F76 | N73-T75 PolarHBondContact O-N 2.9Å; N73-F76 HydrophobicContact CB-CD2 3.69Å; N73-F76 HydrophobicContact CB-CE2 3.74Å; N73-F76 PolarHBondContact O-N 3.25Å | ||
| 74 | K | 58.9 | Low | 60.6 | Low | 185 Ų | 185 | 84.7 Ų | 84.7 | 80% | 0.804 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.7 | -175.4 | -161.5 | -178.6 | -178.8 | 82.8 | 0 | 113.4 | ||
| 75 | T | 58 | Low | 60.1 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 36% | 0.362 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.5 | 179.9 | 53 | 0 | 0 | 0 | 0 | 114.2 | N73 V77 N92 | N73-T75 PolarHBondContact O-N 2.9Å; T75-V77 PolarHBondContact O-N 2.92Å; T75-V77 VanDerWaalsContact O-N 3.13Å; T75-N92 PolarHBondContact O-OD1 2.79Å |
| 76 | F | 57.5 | Low | 59.4 | Low | 56 Ų | 56 | 85.3 Ų | 85.3 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | trans | -91.1 | 72.6 | -175.7 | -68.9 | -96.3 | 0 | 0 | 0 | 111.4 | C67 D72 N73 C90 N92 | C67-F76 WeakPolarHBondContact CB-O 3.37Å; D72-F76 HydrophobicContact CB-CB 4.47Å; D72-F76 VanDerWaalsContact CG-CB 3.42Å; D72-F76 WeakPolarHBondContact OD1-CB 3.39Å; D72-F76 WeakPolarHBondContact OD1-CD2 3.2Å; D72-F76 WeakPolarHBondContact OD1-CG 3.22Å; D72-F76 WeakPolarHBondContact OD2-CB 3.29Å; N73-F76 HydrophobicContact CB-CD2 3.69Å; N73-F76 HydrophobicContact CB-CE2 3.74Å; N73-F76 PolarHBondContact O-N 3.25Å; F76-C90 HydrophobicContact CB-CB 4.13Å; F76-C90 WeakPolarHBondContact CD1-O 3.47Å; F76-N92 HydrophobicContact CD1-CB 4.48Å; F76-N92 HydrophobicContact CE1-CB 4.33Å | ||
| 77 | V | 62.4 | Low | 59.1 | Low | 39 Ų | 39 | 85.7 Ų | 85.7 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -109.2 | -0.5 | -173.5 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | R49 T75 | R49-V77 WeakPolarHBondContact CB-O 3.42Å; T75-V77 PolarHBondContact O-N 2.92Å; T75-V77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | L | 61.3 | Low | 59.3 | Low | 23 Ų | 23 | 87.7 Ų | 87.7 | 12% | 0.12 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.4 | 178.2 | -90.9 | 74.5 | 0 | 0 | 0 | 112 | C90 C91 E93 F96 | L78-C90 CarbonylContact O-C 3.54Å; L78-C90 WeakPolarHBondContact O-CA 3.41Å; L78-C91 PolarHBondContact N-O 2.88Å; L78-C91 PolarHBondContact O-N 3.34Å; L78-E93 HydrophobicContact CD1-CG 4.19Å; L78-F96 HydrophobicContact CB-CD2 4.26Å; L78-F96 HydrophobicContact CD2-CB 3.7Å; L78-F96 HydrophobicContact CD2-CD1 3.38Å; L78-F96 HydrophobicContact CD2-CD2 3.53Å; L78-F96 HydrophobicContact CD2-CE1 3.72Å; L78-F96 HydrophobicContact CD2-CE2 3.84Å; L78-F96 HydrophobicContact CD2-CG 3.26Å; L78-F96 HydrophobicContact CD2-CZ 3.91Å; L78-F96 HydrophobicContact CG-CD2 4.42Å; L78-F96 HydrophobicContact CG-CG 4.47Å |
| 79 | C | 66.4 | Low | 59.8 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 28% | 0.277 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | C51 | C51-C79 WeakPolarHBondContact CA-SG 3.39Å; C51-C79 HydrophobicContact CB-CB 3.95Å; C51-C79 WeakPolarHBondContact CB-SG 3.2Å; C51-C79 WeakPolarHBondContact SG-CB 3.38Å; C51-C79 CovalentContact SG-SG 2.02Å; C51-C79 PolarHBondContact SG-SG 3.3Å |
| 80 | C | 66.8 | Low | 60.3 | Low | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.034 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 155.2 | 171.7 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | K88 Y89 C91 F96 | C80-K88 CarbonylContact O-C 3.53Å; C80-K88 VanDerWaalsContact O-CA 3.26Å; C80-K88 WeakPolarHBondContact O-CA 3.39Å; C80-Y89 HydrophobicContact CB-CD1 4.32Å; C80-Y89 HydrophobicContact CB-CE1 3.84Å; C80-Y89 HydrophobicContact CB-CE2 4.18Å; C80-Y89 PolarHBondContact N-O 3.43Å; C80-Y89 PolarHBondContact O-N 2.89Å; C80-C91 HydrophobicContact CB-CB 3.5Å; C80-C91 VanDerWaalsContact CB-CB 3.5Å; C80-C91 WeakPolarHBondContact CB-SG 3.37Å; C80-C91 PolarHBondContact N-SG 3.5Å; C80-C91 VanDerWaalsContact N-SG 3.42Å; C80-C91 WeakPolarHBondContact SG-CB 2.94Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 3Å; C80-F96 VanDerWaalsContact SG-CA 3.57Å |
| 81 | H | 66.1 | Low | 60.9 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.5 | 168.5 | 177.9 | -87.2 | 0 | 0 | 0 | 108.1 | N83 T85 V86 | H81-N83 PolarHBondContact O-N 3.48Å; H81-T85 PolarHBondContact CE1-O 3.24Å; H81-T85 VanDerWaalsContact CE1-O 3.27Å; H81-T85 PolarHBondContact NE2-O 3.45Å; H81-T85 VanDerWaalsContact NE2-O 3.12Å; H81-V86 WeakPolarHBondContact NE2-CA 3.32Å |
| 82 | H | 65.8 | Low | 61.7 | Low | 100 Ų | 100 | 67.6 Ų | 67.6 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | trans | -75.7 | 124 | 177.9 | -165.6 | 71.9 | 0 | 0 | 0 | 108.7 | N84 T85 Y89 | H82-N84 PolarHBondContact O-N 3.01Å; H82-T85 WeakPolarHBondContact CB-OG1 3.24Å; H82-T85 PolarHBondContact O-N 2.9Å; H82-Y89 HydrophobicContact CB-CD1 4.12Å; H82-Y89 HydrophobicContact CB-CE1 3.72Å | ||
| 83 | N | 62 | Low | 61.8 | Low | 140 Ų | 140 | 70.9 Ų | 70.9 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 32 | -165.9 | -165.1 | 17.6 | 0 | 0 | 0 | 116.4 | H81 | H81-N83 PolarHBondContact O-N 3.48Š|
| 84 | N | 52.3 | Low | 61.8 | Low | 154 Ų | 154 | 70.3 Ų | 70.3 | 82% | 0.824 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -167.8 | 14.5 | 158.2 | -149.8 | -1.6 | 0 | 0 | 0 | 113.3 | H82 | H82-N84 PolarHBondContact O-N 3.01Š|
| 85 | T | 55 | Low | 61.5 | Low | 53 Ų | 53 | 66.2 Ų | 66.2 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -135.7 | 136.4 | 177.1 | 68.3 | 0 | 0 | 0 | 0 | 108.2 | H81 H82 F87 | H81-T85 PolarHBondContact CE1-O 3.24Å; H81-T85 VanDerWaalsContact CE1-O 3.27Å; H81-T85 PolarHBondContact NE2-O 3.45Å; H81-T85 VanDerWaalsContact NE2-O 3.12Å; H82-T85 WeakPolarHBondContact CB-OG1 3.24Å; H82-T85 PolarHBondContact O-N 2.9Å; T85-F87 PolarHBondContact O-N 3.38Å |
| 86 | V | 54.9 | Low | 61.4 | Low | 29 Ų | 29 | 66.2 Ų | 66.2 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -69.5 | 6.7 | -175.5 | -171.5 | 0 | 0 | 0 | 0 | 113.3 | Y54 D56 H57 H81 K88 | Y54-V86 HydrophobicContact CD2-CG1 3.75Å; Y54-V86 WeakPolarHBondContact CD2-O 3.45Å; Y54-V86 HydrophobicContact CE2-CG1 3.89Å; Y54-V86 WeakPolarHBondContact CE2-O 3.17Å; Y54-V86 VanDerWaalsContact CZ-O 3.27Å; D56-V86 HydrophobicContact CB-CG1 4.34Å; D56-V86 WeakPolarHBondContact OD1-CB 3.43Å; D56-V86 WeakPolarHBondContact OD1-CG2 3.36Å; H57-V86 HydrophobicContact CB-CG2 3.96Å; H57-V86 WeakPolarHBondContact ND1-CG2 3.17Å; H81-V86 WeakPolarHBondContact NE2-CA 3.32Å; V86-K88 PolarHBondContact O-N 3.02Å |
| 87 | F | 56.3 | Low | 61.2 | Low | 109 Ų | 109 | 69.1 Ų | 69.1 | 48% | 0.478 | 35% | 0.349 | S | S | . | . | trans | -78.7 | 116 | 177.4 | -59.8 | -70.4 | 0 | 0 | 0 | 111 | Y54 H62 T85 | Y54-F87 WeakPolarHBondContact OH-CA 3.37Å; H62-F87 AromaticContact CE1-CE1 3.71Å; T85-F87 PolarHBondContact O-N 3.38Å | ||
| 88 | K | 66.9 | Low | 60.6 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.3 | 166.3 | -61.3 | -174.2 | -173.6 | 172.5 | 0 | 108.9 | E52 Y54 F65 C80 V86 | E52-K88 PolarHBondContact O-NZ 3Å; Y54-K88 HydrophobicContact CD1-CB 4.15Å; Y54-K88 HydrophobicContact CD1-CD 3.44Å; Y54-K88 VanDerWaalsContact CD1-CD 3.44Å; Y54-K88 HydrophobicContact CD1-CG 3.64Å; Y54-K88 HydrophobicContact CE1-CB 3.73Å; Y54-K88 HydrophobicContact CE1-CD 3.95Å; Y54-K88 HydrophobicContact CE1-CG 3.68Å; Y54-K88 HydrophobicContact CG-CD 4.07Å; Y54-K88 HydrophobicContact CG-CG 4.2Å; Y54-K88 PolarHBondContact OH-N 3.07Å; F65-K88 HydrophobicContact CE1-CB 4.2Å; F65-K88 HydrophobicContact CZ-CB 4.07Å; F65-K88 VanDerWaalsContact CZ-O 3.28Å; F65-K88 WeakPolarHBondContact CZ-O 3.42Å; C80-K88 CarbonylContact O-C 3.53Å; C80-K88 VanDerWaalsContact O-CA 3.26Å; C80-K88 WeakPolarHBondContact O-CA 3.39Å; V86-K88 PolarHBondContact O-N 3.02Å |
| 89 | Y | 67.3 | Low | 60.2 | Low | 67 Ų | 67 | 72.6 Ų | 72.6 | 26% | 0.263 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157.6 | 177.1 | 67.8 | -80.3 | 0 | 0 | 0 | 111.1 | C80 H82 C91 | C80-Y89 HydrophobicContact CB-CD1 4.32Å; C80-Y89 HydrophobicContact CB-CE1 3.84Å; C80-Y89 HydrophobicContact CB-CE2 4.18Å; C80-Y89 PolarHBondContact N-O 3.43Å; C80-Y89 PolarHBondContact O-N 2.89Å; H82-Y89 HydrophobicContact CB-CD1 4.12Å; H82-Y89 HydrophobicContact CB-CE1 3.72Å; Y89-C91 HydrophobicContact CD2-CB 4.4Å; Y89-C91 HydrophobicContact CE2-CB 3.95Å |
| 90 | C | 69.9 | Low | 59.6 | Low | 16 Ų | 16 | 75.1 Ų | 75.1 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.8 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 109 | C67 D72 F76 L78 | C67-C90 HydrophobicContact CB-CB 3.95Å; C67-C90 WeakPolarHBondContact CB-SG 3.42Å; C67-C90 WeakPolarHBondContact SG-CB 3.47Å; C67-C90 CovalentContact SG-SG 2.04Å; C67-C90 PolarHBondContact SG-SG 3.46Å; D72-C90 WeakPolarHBondContact OD2-CB 3.37Å; F76-C90 HydrophobicContact CB-CB 4.13Å; F76-C90 WeakPolarHBondContact CD1-O 3.47Å; L78-C90 CarbonylContact O-C 3.54Å; L78-C90 WeakPolarHBondContact O-CA 3.41Å |
| 91 | C | 66.1 | Low | 58.7 | Low | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.1 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | L78 C80 Y89 E95 | L78-C91 PolarHBondContact N-O 2.88Å; L78-C91 PolarHBondContact O-N 3.34Å; C80-C91 HydrophobicContact CB-CB 3.5Å; C80-C91 VanDerWaalsContact CB-CB 3.5Å; C80-C91 WeakPolarHBondContact CB-SG 3.37Å; C80-C91 PolarHBondContact N-SG 3.5Å; C80-C91 VanDerWaalsContact N-SG 3.42Å; C80-C91 WeakPolarHBondContact SG-CB 2.94Å; C80-C91 CovalentContact SG-SG 2.01Å; C80-C91 PolarHBondContact SG-SG 3Å; Y89-C91 HydrophobicContact CD2-CB 4.4Å; Y89-C91 HydrophobicContact CE2-CB 3.95Å; C91-E95 HydrophobicContact CB-CB 4.3Å |
| 92 | N | 66.8 | Low | 57.9 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 21% | 0.214 | 43% | 0.433 | C | S | . | . | trans | -80.1 | 160.4 | 172 | -166.6 | 6.1 | 0 | 0 | 0 | 110.7 | T75 F76 T94 E95 F96 | T75-N92 PolarHBondContact O-OD1 2.79Å; F76-N92 HydrophobicContact CD1-CB 4.48Å; F76-N92 HydrophobicContact CE1-CB 4.33Å; N92-T94 PolarHBondContact O-N 3.31Å; N92-E95 PolarHBondContact O-N 3.45Å; N92-E95 VanDerWaalsContact O-N 3.13Å; N92-F96 PolarHBondContact O-N 3.14Å | ||
| 93 | E | 60.3 | Low | 56.9 | Low | 122 Ų | 122 | 81.9 Ų | 81.9 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54.3 | -37.7 | 179.6 | -64.6 | 173 | 165.6 | 0 | 0 | 112.4 | L78 Q97 | L78-E93 HydrophobicContact CD1-CG 4.19Å; E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 PolarHBondContact O-N 3.15Å |
| 94 | T | 56.4 | Low | 56.3 | Low | 95 Ų | 95 | 81.7 Ų | 81.7 | 58% | 0.583 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -73.8 | -32.4 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | N92 A98 | N92-T94 PolarHBondContact O-N 3.31Å; T94-A98 PolarHBondContact O-N 3.1Å; T94-A98 VanDerWaalsContact O-N 3.12Å |
| 95 | E | 53.9 | Low | 55.9 | Low | 99 Ų | 99 | 81.4 Ų | 81.4 | 46% | 0.463 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -79.5 | -34.5 | 175.6 | -70.8 | -120.7 | 147.6 | 0 | 0 | 111.5 | C91 N92 Q97 A98 V99 | C91-E95 HydrophobicContact CB-CB 4.3Å; N92-E95 PolarHBondContact O-N 3.45Å; N92-E95 VanDerWaalsContact O-N 3.13Å; E95-Q97 VanDerWaalsContact C-N 3.29Å; E95-Q97 PolarHBondContact O-N 2.89Å; E95-A98 PolarHBondContact O-N 3.19Å; E95-V99 WeakPolarHBondContact O-CB 2.95Å; E95-V99 WeakPolarHBondContact O-CG2 3.38Å; E95-V99 PolarHBondContact O-N 3.49Å |
| 96 | F | 55.1 | Low | 55.4 | Low | 59 Ų | 59 | 81.7 Ų | 81.7 | 26% | 0.259 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 170.8 | -177 | -99.9 | 0 | 0 | 0 | 111 | L78 C80 N92 M100 | L78-F96 HydrophobicContact CB-CD2 4.26Å; L78-F96 HydrophobicContact CD2-CB 3.7Å; L78-F96 HydrophobicContact CD2-CD1 3.38Å; L78-F96 HydrophobicContact CD2-CD2 3.53Å; L78-F96 HydrophobicContact CD2-CE1 3.72Å; L78-F96 HydrophobicContact CD2-CE2 3.84Å; L78-F96 HydrophobicContact CD2-CG 3.26Å; L78-F96 HydrophobicContact CD2-CZ 3.91Å; L78-F96 HydrophobicContact CG-CD2 4.42Å; L78-F96 HydrophobicContact CG-CG 4.47Å; C80-F96 VanDerWaalsContact SG-CA 3.57Å; N92-F96 PolarHBondContact O-N 3.14Å; F96-M100 HydrophobicContact CD1-SD 4.39Å; F96-M100 HydrophobicContact CD2-CE 4.02Å; F96-M100 HydrophobicContact CE1-CE 4.06Å; F96-M100 HydrophobicContact CE1-SD 3.52Å; F96-M100 VanDerWaalsContact CE1-SD 3.52Å; F96-M100 HydrophobicContact CE2-CE 3.14Å; F96-M100 HydrophobicContact CE2-SD 3.82Å; F96-M100 HydrophobicContact CZ-CE 3.18Å; F96-M100 HydrophobicContact CZ-SD 3.2Å; F96-M100 WeakPolarHBondContact CZ-SD 3.35Å; F96-M100 WeakPolarHBondContact O-CA 3.1Å; F96-M100 WeakPolarHBondContact O-CB 3.28Å; F96-M100 PolarHBondContact O-N 2.96Å |
| 97 | Q | 52.5 | Low | 54.7 | Low | 117 Ų | 117 | 82.7 Ų | 82.7 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 175.3 | -166.7 | 162 | -7.7 | 0 | 0 | 110.5 | E93 E95 V99 Q101 | E93-Q97 WeakPolarHBondContact O-CB 3.02Å; E93-Q97 PolarHBondContact O-N 3.15Å; E95-Q97 VanDerWaalsContact C-N 3.29Å; E95-Q97 PolarHBondContact O-N 2.89Å; Q97-V99 PolarHBondContact O-N 3.29Å; Q97-Q101 WeakPolarHBondContact O-CA 3.27Å; Q97-Q101 WeakPolarHBondContact O-CB 3.34Å; Q97-Q101 PolarHBondContact O-N 3.15Å |
| 98 | A | 50.5 | Low | 54 | Low | 76 Ų | 76 | 82.7 Ų | 82.7 | 63% | 0.628 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.2 | -33.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T94 E95 | T94-A98 PolarHBondContact O-N 3.1Å; T94-A98 VanDerWaalsContact O-N 3.12Å; E95-A98 PolarHBondContact O-N 3.19Å |
| 99 | V | 52.9 | Low | 53 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 36% | 0.358 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -87.7 | -27.8 | -179.1 | 178 | 0 | 0 | 0 | 0 | 112.3 | E95 Q97 | E95-V99 WeakPolarHBondContact O-CB 2.95Å; E95-V99 WeakPolarHBondContact O-CG2 3.38Å; E95-V99 PolarHBondContact O-N 3.49Å; Q97-V99 PolarHBondContact O-N 3.29Å |
| 100 | M | 54.9 | Low | 52.1 | Low | 94 Ų | 94 | 87.4 Ų | 87.4 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -93.6 | -9.9 | 177 | -164.1 | 170.4 | -75.7 | 0 | 0 | 113.3 | F96 A102 N103 | F96-M100 HydrophobicContact CD1-SD 4.39Å; F96-M100 HydrophobicContact CD2-CE 4.02Å; F96-M100 HydrophobicContact CE1-CE 4.06Å; F96-M100 HydrophobicContact CE1-SD 3.52Å; F96-M100 VanDerWaalsContact CE1-SD 3.52Å; F96-M100 HydrophobicContact CE2-CE 3.14Å; F96-M100 HydrophobicContact CE2-SD 3.82Å; F96-M100 HydrophobicContact CZ-CE 3.18Å; F96-M100 HydrophobicContact CZ-SD 3.2Å; F96-M100 WeakPolarHBondContact CZ-SD 3.35Å; F96-M100 WeakPolarHBondContact O-CA 3.1Å; F96-M100 WeakPolarHBondContact O-CB 3.28Å; F96-M100 PolarHBondContact O-N 2.96Å; M100-A102 PolarHBondContact O-N 2.75Å; M100-N103 PolarHBondContact O-N 3.2Å |
| 101 | Q | 47.6 | Very low | 51 | Low | 126 Ų | 126 | 95.9 Ų | 95.9 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 57.2 | 177.6 | -170.8 | 163.6 | -57.7 | 0 | 0 | 112.5 | Q97 | Q97-Q101 WeakPolarHBondContact O-CA 3.27Å; Q97-Q101 WeakPolarHBondContact O-CB 3.34Å; Q97-Q101 PolarHBondContact O-N 3.15Å |
| 102 | A | 48.3 | Very low | 50.2 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 78% | 0.777 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -5.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M100 | M100-A102 PolarHBondContact O-N 2.75Š|
| 103 | N | 45.5 | Very low | 49.4 | Very low | 113 Ų | 113 | 105.7 Ų | 105.7 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -139.9 | 17.5 | -169.7 | -128.8 | 17.8 | 0 | 0 | 0 | 117.7 | M100 T105 A106 | M100-N103 PolarHBondContact O-N 3.2Å; N103-T105 PolarHBondContact O-N 2.86Å; N103-A106 PolarHBondContact O-N 2.91Å; N103-A106 WeakPolarHBondContact OD1-CB 3.13Å |
| 104 | L | 48.7 | Very low | 49.1 | Very low | 136 Ų | 136 | 105.5 Ų | 105.5 | 71% | 0.712 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -1.3 | 166.9 | -87.1 | 105.5 | 0 | 0 | 0 | 113.9 | ||
| 105 | T | 44.2 | Very low | 49.2 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 90% | 0.902 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -7.6 | 171.5 | -40.8 | 0 | 0 | 0 | 0 | 112.6 | N103 | N103-T105 PolarHBondContact O-N 2.86Š|
| 106 | A | 44.1 | Very low | 49.6 | Very low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -110.4 | 85.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N103 | N103-A106 PolarHBondContact O-N 2.91Å; N103-A106 WeakPolarHBondContact OD1-CB 3.13Å |
| 107 | G | 39.5 | Very low | 50.3 | Low | 50 Ų | 50 | 109.3 Ų | 109.3 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | trans | 74.3 | 109.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | E109 | G107-E109 PolarHBondContact O-N 3.48Š| ||
| 108 | P | 41.8 | Very low | 51.2 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 71% | 0.708 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 34.3 | 166.6 | 33.4 | -34 | 0 | 0 | 0 | 112.8 | ||
| 109 | E | 47 | Very low | 52.4 | Low | 163 Ų | 163 | 107.5 Ų | 107.5 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -9.2 | -162.3 | -67.5 | -68.6 | 150.4 | 0 | 0 | 114.3 | G107 | G107-E109 PolarHBondContact O-N 3.48Š|
| 110 | G | 48.6 | Very low | 53.5 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -113.3 | -33.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 111 | Y | 45.9 | Very low | 54.7 | Low | 194 Ų | 194 | 104 Ų | 104 | 76% | 0.761 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -97.2 | -8.7 | -171.5 | -158.2 | -100.3 | 0 | 0 | 0 | 113.5 | ||
| 112 | M | 50 | Low | 56.2 | Low | 116 Ų | 116 | 103.1 Ų | 103.1 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -107.2 | -2.6 | -174.4 | -71 | -74.9 | 110.9 | 0 | 0 | 114.1 | Y116 | M112-Y116 WeakPolarHBondContact O-CB 3.33Š|
| 113 | H | 49.5 | Very low | 57.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 60% | 0.602 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -99.9 | -36.2 | -171.6 | -148 | 69.3 | 0 | 0 | 0 | 114.2 | T117 | H113-T117 WeakPolarHBondContact O-CB 3.38Å; H113-T117 PolarHBondContact O-N 3.46Å; H113-T117 PolarHBondContact O-OG1 3.48Å |
| 114 | N | 54.9 | Low | 59.5 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -90.2 | -46.2 | -169 | -57.5 | -9.1 | 0 | 0 | 0 | 112.1 | A118 | N114-A118 WeakPolarHBondContact O-CB 3.1Å; N114-A118 PolarHBondContact O-N 2.8Å |
| 115 | N | 57.6 | Low | 61.2 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -79.8 | -33.3 | -179.7 | -66.6 | -50 | 0 | 0 | 0 | 112.3 | L119 | N115-L119 WeakPolarHBondContact O-CB 3.1Å; N115-L119 PolarHBondContact O-N 3.47Å |
| 116 | Y | 62.6 | Low | 63 | Low | 136 Ų | 136 | 101.5 Ų | 101.5 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -42.5 | 176.6 | -168.9 | -112.8 | 0 | 0 | 0 | 111.3 | M112 L119 L120 | M112-Y116 WeakPolarHBondContact O-CB 3.33Å; Y116-L119 PolarHBondContact O-N 2.83Å; Y116-L120 HydrophobicContact CD1-CD1 3.57Å; Y116-L120 HydrophobicContact CD1-CG 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.29Å; Y116-L120 HydrophobicContact CE1-CD2 4.47Å; Y116-L120 HydrophobicContact CE1-CG 3.96Å; Y116-L120 HydrophobicContact CE2-CG 4.4Å; Y116-L120 HydrophobicContact CG-CD1 4.35Å; Y116-L120 HydrophobicContact CG-CG 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.05Å; Y116-L120 PolarHBondContact O-N 2.94Å |
| 117 | T | 69.2 | Low | 64.7 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | H113 G121 | H113-T117 WeakPolarHBondContact O-CB 3.38Å; H113-T117 PolarHBondContact O-N 3.46Å; H113-T117 PolarHBondContact O-OG1 3.48Å; T117-G121 PolarHBondContact O-N 2.85Å |
| 118 | A | 72.9 | Confident | 66.6 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N114 G121 V122 | N114-A118 WeakPolarHBondContact O-CB 3.1Å; N114-A118 PolarHBondContact O-N 2.8Å; A118-G121 PolarHBondContact O-N 2.86Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 3.2Å |
| 119 | L | 74.6 | Confident | 68.6 | Low | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.3 | -173 | 71 | 0 | 0 | 0 | 111.7 | N115 Y116 G121 V122 W123 | N115-L119 WeakPolarHBondContact O-CB 3.1Å; N115-L119 PolarHBondContact O-N 3.47Å; Y116-L119 PolarHBondContact O-N 2.83Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-V122 PolarHBondContact O-N 2.98Å; L119-W123 VanDerWaalsContact O-CB 3.28Å; L119-W123 WeakPolarHBondContact O-CB 3.42Å; L119-W123 PolarHBondContact O-N 3.16Å |
| 120 | L | 76.2 | Confident | 70.4 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.8 | -78.8 | -179 | 0 | 0 | 0 | 111.2 | Y116 W123 I124 | Y116-L120 HydrophobicContact CD1-CD1 3.57Å; Y116-L120 HydrophobicContact CD1-CG 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.29Å; Y116-L120 HydrophobicContact CE1-CD2 4.47Å; Y116-L120 HydrophobicContact CE1-CG 3.96Å; Y116-L120 HydrophobicContact CE2-CG 4.4Å; Y116-L120 HydrophobicContact CG-CD1 4.35Å; Y116-L120 HydrophobicContact CG-CG 4.45Å; Y116-L120 WeakPolarHBondContact O-CB 3.46Å; Y116-L120 WeakPolarHBondContact O-CG 3.05Å; Y116-L120 PolarHBondContact O-N 2.94Å; L120-W123 PolarHBondContact O-N 3.03Å; L120-I124 HydrophobicContact CB-CD1 4.46Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 WeakPolarHBondContact O-CD1 3.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.24Å |
| 121 | G | 79.1 | Confident | 71.9 | Confident | 18 Ų | 18 | 101.4 Ų | 101.4 | 19% | 0.186 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -57 | -57.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | T117 A118 L119 W123 I124 Y125 | T117-G121 PolarHBondContact O-N 2.85Å; A118-G121 PolarHBondContact O-N 2.86Å; L119-G121 VanDerWaalsContact C-N 3.33Å; G121-W123 PolarHBondContact O-N 3.45Å; G121-I124 PolarHBondContact O-N 2.96Å; G121-Y125 WeakPolarHBondContact O-CB 3.49Å; G121-Y125 WeakPolarHBondContact O-CD2 3.29Å; G121-Y125 PolarHBondContact O-N 3.46Å |
| 122 | V | 80.8 | Confident | 73.7 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 66% | 0.655 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.3 | -39.1 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | A118 L119 G126 | A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 3.2Å; L119-V122 PolarHBondContact O-N 2.98Å; V122-G126 WeakPolarHBondContact O-CA 3.45Å; V122-G126 PolarHBondContact O-N 2.85Å |
| 123 | W | 81.3 | Confident | 75.4 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 54% | 0.538 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | 178.4 | -165.9 | 74.1 | 0 | 0 | 0 | 112.6 | L119 L120 G121 G126 F127 | L119-W123 VanDerWaalsContact O-CB 3.28Å; L119-W123 WeakPolarHBondContact O-CB 3.42Å; L119-W123 PolarHBondContact O-N 3.16Å; L120-W123 PolarHBondContact O-N 3.03Å; G121-W123 PolarHBondContact O-N 3.45Å; W123-G126 PolarHBondContact O-N 3.49Å; W123-F127 WeakPolarHBondContact O-CB 3.4Å; W123-F127 PolarHBondContact O-N 3.03Å |
| 124 | I | 81.1 | Confident | 76.8 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 178.4 | -68.1 | 163.1 | 0 | 0 | 0 | 110.3 | L120 G121 F127 F128 | L120-I124 HydrophobicContact CB-CD1 4.46Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 WeakPolarHBondContact O-CD1 3.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.28Å; L120-I124 PolarHBondContact O-N 3.24Å; G121-I124 PolarHBondContact O-N 2.96Å; I124-F127 PolarHBondContact O-N 2.86Å; I124-F128 WeakPolarHBondContact O-CB 3.2Å; I124-F128 PolarHBondContact O-N 2.79Å |
| 125 | Y | 85.3 | Confident | 78.1 | Confident | 174 Ų | 174 | 92.4 Ų | 92.4 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -44.8 | 177.3 | -70.8 | -62.3 | 0 | 0 | 0 | 111.8 | G121 F127 F128 V129 | G121-Y125 WeakPolarHBondContact O-CB 3.49Å; G121-Y125 WeakPolarHBondContact O-CD2 3.29Å; G121-Y125 PolarHBondContact O-N 3.46Å; Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.34Å; Y125-F128 PolarHBondContact O-N 3.11Å; Y125-V129 WeakPolarHBondContact O-CG2 3.46Å; Y125-V129 PolarHBondContact O-N 3.47Å |
| 126 | G | 81.2 | Confident | 79.3 | Confident | 41 Ų | 41 | 92 Ų | 92 | 42% | 0.423 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V122 W123 V129 L130 | V122-G126 WeakPolarHBondContact O-CA 3.45Å; V122-G126 PolarHBondContact O-N 2.85Å; W123-G126 PolarHBondContact O-N 3.49Å; G126-V129 PolarHBondContact O-N 3.34Å; G126-L130 WeakPolarHBondContact O-CB 3.14Å; G126-L130 PolarHBondContact O-N 2.94Å |
| 127 | F | 79 | Confident | 80 | Confident | 94 Ų | 94 | 90.1 Ų | 90.1 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -41 | 174.8 | -179.3 | -96.7 | 0 | 0 | 0 | 112.2 | L33 W123 I124 Y125 L130 T131 | L33-F127 HydrophobicContact CD2-CE2 4.11Å; W123-F127 WeakPolarHBondContact O-CB 3.4Å; W123-F127 PolarHBondContact O-N 3.03Å; I124-F127 PolarHBondContact O-N 2.86Å; Y125-F127 VanDerWaalsContact C-N 3.35Å; Y125-F127 PolarHBondContact O-N 3.34Å; F127-L130 PolarHBondContact O-N 3.33Å; F127-T131 WeakPolarHBondContact O-CB 3.2Å; F127-T131 PolarHBondContact O-N 3.13Å; F127-T131 PolarHBondContact O-OG1 2.9Å |
| 128 | F | 79.4 | Confident | 80.3 | Confident | 123 Ų | 123 | 91 Ų | 91 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.4 | -175.7 | -106.8 | 0 | 0 | 0 | 111.7 | I124 Y125 L130 T131 L132 | I124-F128 WeakPolarHBondContact O-CB 3.2Å; I124-F128 PolarHBondContact O-N 2.79Å; Y125-F128 PolarHBondContact O-N 3.11Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 2.88Å; F128-T131 PolarHBondContact O-N 3.49Å; F128-L132 HydrophobicContact CD1-CD1 3.81Å; F128-L132 HydrophobicContact CD1-CG 4.37Å; F128-L132 HydrophobicContact CE1-CD1 3.33Å; F128-L132 HydrophobicContact CE1-CG 4.07Å; F128-L132 HydrophobicContact CE2-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.75Å; F128-L132 HydrophobicContact CZ-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CG 3.46Å; F128-L132 PolarHBondContact O-N 3.41Å |
| 129 | V | 85.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | Y125 G126 T131 L132 L133 | Y125-V129 WeakPolarHBondContact O-CG2 3.46Å; Y125-V129 PolarHBondContact O-N 3.47Å; G126-V129 PolarHBondContact O-N 3.34Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.08Å; V129-L132 PolarHBondContact O-N 2.9Å; V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.25Å |
| 130 | L | 83 | Confident | 80.7 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.2 | -177.7 | 65.4 | 0 | 0 | 0 | 111.7 | L33 G126 F127 F128 L133 V134 | L33-L130 HydrophobicContact CD1-CD2 3.54Å; G126-L130 WeakPolarHBondContact O-CB 3.14Å; G126-L130 PolarHBondContact O-N 2.94Å; F127-L130 PolarHBondContact O-N 3.33Å; F128-L130 VanDerWaalsContact C-N 3.34Å; F128-L130 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 3.21Å; L130-V134 WeakPolarHBondContact O-CG2 3.02Å; L130-V134 PolarHBondContact O-N 3.46Å |
| 131 | T | 80.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 94.5 Ų | 94.5 | 35% | 0.35 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | F127 F128 V129 L133 V134 L135 | F127-T131 WeakPolarHBondContact O-CB 3.2Å; F127-T131 PolarHBondContact O-N 3.13Å; F127-T131 PolarHBondContact O-OG1 2.9Å; F128-T131 PolarHBondContact O-N 3.49Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.08Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 2.81Å; T131-V134 PolarHBondContact O-N 3.3Å; T131-L135 WeakPolarHBondContact O-CB 3.12Å; T131-L135 PolarHBondContact O-N 2.9Å |
| 132 | L | 84.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 175.6 | -72 | 179.8 | 0 | 0 | 0 | 112 | F128 V129 L135 D136 | F128-L132 HydrophobicContact CD1-CD1 3.81Å; F128-L132 HydrophobicContact CD1-CG 4.37Å; F128-L132 HydrophobicContact CE1-CD1 3.33Å; F128-L132 HydrophobicContact CE1-CG 4.07Å; F128-L132 HydrophobicContact CE2-CG 4.48Å; F128-L132 HydrophobicContact CZ-CD1 3.75Å; F128-L132 HydrophobicContact CZ-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CG 3.46Å; F128-L132 PolarHBondContact O-N 3.41Å; V129-L132 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.44Å; L132-D136 VanDerWaalsContact O-CB 3.25Å; L132-D136 WeakPolarHBondContact O-CB 3.26Å; L132-D136 PolarHBondContact O-N 3.19Å |
| 133 | L | 85.8 | Confident | 79.2 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.2 | -169.5 | 157.3 | 0 | 0 | 0 | 111.6 | V129 L130 T131 D136 L137 | V129-L133 WeakPolarHBondContact O-CB 3.45Å; V129-L133 PolarHBondContact O-N 3.25Å; L130-L133 PolarHBondContact O-N 3.21Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 2.81Å; L133-D136 PolarHBondContact O-N 3.23Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 2.77Å; L133-L137 PolarHBondContact O-N 2.84Å |
| 134 | V | 78.5 | Confident | 78.6 | Confident | 69 Ų | 69 | 94.2 Ų | 94.2 | 42% | 0.418 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L130 T131 L137 L138 | L130-V134 WeakPolarHBondContact O-CG2 3.02Å; L130-V134 PolarHBondContact O-N 3.46Å; T131-V134 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 2.81Å; V134-L138 HydrophobicContact CG1-CD1 3.78Å; V134-L138 HydrophobicContact CG1-CG 4.28Å; V134-L138 VanDerWaalsContact O-CB 3.25Å; V134-L138 WeakPolarHBondContact O-CB 3.2Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.03Å |
| 135 | L | 81 | Confident | 77.5 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 179.2 | -148 | 77.3 | 0 | 0 | 0 | 111.6 | T131 L132 L138 Y139 | T131-L135 WeakPolarHBondContact O-CB 3.12Å; T131-L135 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.44Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-Y139 WeakPolarHBondContact O-CB 3Å; L135-Y139 PolarHBondContact O-N 2.02Å |
| 136 | D | 83 | Confident | 76.2 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -48 | 174.8 | -176.3 | 76 | 0 | 0 | 0 | 111.1 | L132 L133 L138 Y139 Y140 | L132-D136 VanDerWaalsContact O-CB 3.25Å; L132-D136 WeakPolarHBondContact O-CB 3.26Å; L132-D136 PolarHBondContact O-N 3.19Å; L133-D136 PolarHBondContact O-N 3.23Å; D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 2.04Å; D136-Y139 PolarHBondContact O-N 3.48Å; D136-Y140 VanDerWaalsContact O-CB 3.27Å; D136-Y140 WeakPolarHBondContact O-CB 3.02Å; D136-Y140 PolarHBondContact O-N 3.3Å |
| 137 | L | 76.8 | Confident | 75 | Confident | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.5 | -176.8 | 65 | 0 | 0 | 0 | 111.4 | L133 V134 S141 | L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 2.77Å; L133-L137 PolarHBondContact O-N 2.84Å; V134-L137 PolarHBondContact O-N 2.81Å; L137-S141 WeakPolarHBondContact O-CB 3.17Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 2.82Å |
| 138 | L | 75.9 | Confident | 74 | Confident | 98 Ų | 98 | 94 Ų | 94 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.6 | -78 | 170.9 | 0 | 0 | 0 | 111.6 | V134 L135 D136 S141 A142 | V134-L138 HydrophobicContact CG1-CD1 3.78Å; V134-L138 HydrophobicContact CG1-CG 4.28Å; V134-L138 VanDerWaalsContact O-CB 3.25Å; V134-L138 WeakPolarHBondContact O-CB 3.2Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.03Å; L135-L138 PolarHBondContact O-N 2.91Å; D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 2.04Å; L138-S141 VanDerWaalsContact CA-OG 3.31Å; L138-S141 WeakPolarHBondContact CA-OG 2.99Å; L138-S141 CarbonylContact O-C 3.58Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 PolarHBondContact O-OG 3.07Å; L138-A142 VanDerWaalsContact O-CB 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 3.07Å |
| 139 | Y | 80.9 | Confident | 73 | Confident | 157 Ų | 157 | 93.6 Ų | 93.6 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -47.2 | 178.5 | -180 | -100.5 | 0 | 0 | 0 | 111.3 | L135 D136 S141 A142 M143 | L135-Y139 WeakPolarHBondContact O-CB 3Å; L135-Y139 PolarHBondContact O-N 2.02Å; D136-Y139 PolarHBondContact O-N 3.48Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.34Å; Y139-A142 PolarHBondContact O-N 2.91Å; Y139-A142 VanDerWaalsContact O-N 3.15Å; Y139-M143 PolarHBondContact O-N 2.64Å |
| 140 | Y | 75.2 | Confident | 71.8 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 173.2 | -176.3 | -98.7 | 0 | 0 | 0 | 111.4 | D136 A142 M143 N144 I147 | D136-Y140 VanDerWaalsContact O-CB 3.27Å; D136-Y140 WeakPolarHBondContact O-CB 3.02Å; D136-Y140 PolarHBondContact O-N 3.3Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 3.39Å; Y140-M143 PolarHBondContact O-N 2.79Å; Y140-N144 PolarHBondContact O-N 3.19Å; Y140-I147 HydrophobicContact CE1-CG2 4.28Å |
| 141 | S | 65.2 | Low | 70.7 | Confident | 16 Ų | 16 | 97 Ų | 97 | 11% | 0.112 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.7 | -32 | 175.9 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | L137 L138 Y139 N144 Y145 C148 | L137-S141 WeakPolarHBondContact O-CB 3.17Å; L137-S141 PolarHBondContact O-N 3.45Å; L137-S141 PolarHBondContact O-OG 2.82Å; L138-S141 VanDerWaalsContact CA-OG 3.31Å; L138-S141 WeakPolarHBondContact CA-OG 2.99Å; L138-S141 CarbonylContact O-C 3.58Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-S141 PolarHBondContact O-OG 3.07Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.34Å; S141-N144 CarbonylContact O-C 3.58Å; S141-Y145 WeakPolarHBondContact O-CA 3.43Å; S141-Y145 PolarHBondContact O-N 3.22Å; S141-C148 VanDerWaalsContact CB-SG 3.51Å |
| 142 | A | 68.5 | Low | 69.8 | Low | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.4 | -33.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L138 Y139 Y140 Y145 | L138-A142 VanDerWaalsContact O-CB 3.31Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 3.07Å; Y139-A142 PolarHBondContact O-N 2.91Å; Y139-A142 VanDerWaalsContact O-N 3.15Å; Y140-A142 VanDerWaalsContact C-N 3.33Å; Y140-A142 PolarHBondContact O-N 3.39Å; A142-Y145 HydrophobicContact CB-CE2 4.3Å; A142-Y145 VanDerWaalsContact O-CD2 3.22Å; A142-Y145 WeakPolarHBondContact O-CD2 3.1Å; A142-Y145 WeakPolarHBondContact O-CE2 2.93Å |
| 143 | M | 70.6 | Confident | 68.4 | Low | 137 Ų | 137 | 97.4 Ų | 97.4 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.2 | -32.2 | 171.6 | -95.9 | -58.8 | -171.8 | 0 | 0 | 113 | Y139 Y140 | Y139-M143 PolarHBondContact O-N 2.64Å; Y140-M143 PolarHBondContact O-N 2.79Å |
| 144 | N | 68.4 | Low | 67.1 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | trans | -128.2 | 66.9 | -179.3 | -75.7 | -39.5 | 0 | 0 | 0 | 111.9 | Y140 S141 D146 I147 C148 | Y140-N144 PolarHBondContact O-N 3.19Å; S141-N144 CarbonylContact O-C 3.58Å; N144-D146 PolarHBondContact O-N 3.13Å; N144-D146 VanDerWaalsContact O-N 3.09Å; N144-I147 HydrophobicContact CB-CB 4.33Å; N144-I147 HydrophobicContact CB-CD1 4.26Å; N144-I147 HydrophobicContact CB-CG1 4.38Å; N144-I147 PolarHBondContact O-N 3.26Å; N144-C148 PolarHBondContact O-N 2.87Å | ||
| 145 | Y | 59 | Low | 65.9 | Low | 173 Ų | 173 | 110 Ų | 110 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -53.7 | -31.4 | -178.4 | -98.6 | -89.1 | 0 | 0 | 0 | 113.9 | S141 A142 I147 K149 | S141-Y145 WeakPolarHBondContact O-CA 3.43Å; S141-Y145 PolarHBondContact O-N 3.22Å; A142-Y145 HydrophobicContact CB-CE2 4.3Å; A142-Y145 VanDerWaalsContact O-CD2 3.22Å; A142-Y145 WeakPolarHBondContact O-CD2 3.1Å; A142-Y145 WeakPolarHBondContact O-CE2 2.93Å; Y145-I147 PolarHBondContact O-N 2.84Å; Y145-K149 PolarHBondContact O-N 3.42Å |
| 146 | D | 58.1 | Low | 64.5 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -33.4 | -179.9 | -68.9 | -50.2 | 0 | 0 | 0 | 113.1 | N144 | N144-D146 PolarHBondContact O-N 3.13Å; N144-D146 VanDerWaalsContact O-N 3.09Å |
| 147 | I | 56.8 | Low | 63.2 | Low | 64 Ų | 64 | 107 Ų | 107 | 33% | 0.328 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.9 | -36.7 | -179.4 | -65.4 | -175.1 | 0 | 0 | 0 | 110.4 | Y140 N144 Y145 K149 V150 Y151 | Y140-I147 HydrophobicContact CE1-CG2 4.28Å; N144-I147 HydrophobicContact CB-CB 4.33Å; N144-I147 HydrophobicContact CB-CD1 4.26Å; N144-I147 HydrophobicContact CB-CG1 4.38Å; N144-I147 PolarHBondContact O-N 3.26Å; Y145-I147 PolarHBondContact O-N 2.84Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 2.01Å; I147-V150 PolarHBondContact O-N 2.85Å; I147-Y151 HydrophobicContact CG2-CD2 3.56Å; I147-Y151 HydrophobicContact CG2-CE2 3.3Å; I147-Y151 VanDerWaalsContact O-CD2 3.26Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 2.84Å; I147-Y151 VanDerWaalsContact O-N 3.09Å |
| 148 | C | 56.8 | Low | 62 | Low | 32 Ų | 32 | 110.2 Ų | 110.2 | 22% | 0.216 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | S141 N144 V150 Y151 L152 | S141-C148 VanDerWaalsContact CB-SG 3.51Å; N144-C148 PolarHBondContact O-N 2.87Å; C148-V150 VanDerWaalsContact C-N 3.29Å; C148-V150 PolarHBondContact O-N 3.35Å; C148-Y151 PolarHBondContact O-N 3.13Å; C148-L152 VanDerWaalsContact O-CB 3.32Å; C148-L152 WeakPolarHBondContact O-CB 3.2Å; C148-L152 VanDerWaalsContact O-CG 3.26Å; C148-L152 WeakPolarHBondContact O-CG 3.46Å; C148-L152 PolarHBondContact O-N 2.94Å; C148-L152 VanDerWaalsContact SG-CD1 3.6Å |
| 149 | K | 58.8 | Low | 60.9 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -36.7 | 174.8 | 174.4 | 166 | 177.1 | -178.2 | 0 | 112.6 | Y145 I147 T153 M162 | Y145-K149 PolarHBondContact O-N 3.42Å; I147-K149 VanDerWaalsContact C-N 3.28Å; I147-K149 PolarHBondContact O-N 2.01Å; K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.43Å; K149-T153 PolarHBondContact O-N 3.21Å; K149-T153 VanDerWaalsContact O-N 3.09Å; K149-T153 PolarHBondContact O-OG1 2.99Å; K149-M162 HydrophobicContact CD-CE 3.52Å; K149-M162 HydrophobicContact CG-CE 3.76Å |
| 150 | V | 59.9 | Low | 59.4 | Low | 89 Ų | 89 | 112.3 Ų | 112.3 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -74 | -38.8 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | I147 C148 T153 R154 | I147-V150 PolarHBondContact O-N 2.85Å; C148-V150 VanDerWaalsContact C-N 3.29Å; C148-V150 PolarHBondContact O-N 3.35Å; V150-T153 VanDerWaalsContact CA-OG1 3.27Å; V150-T153 WeakPolarHBondContact CA-OG1 2.8Å; V150-T153 PolarHBondContact O-OG1 3.12Å; V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.27Å; V150-R154 VanDerWaalsContact O-N 3.1Å |
| 151 | Y | 60.2 | Low | 58.3 | Low | 149 Ų | 149 | 114.5 Ų | 114.5 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.3 | -40 | 176.1 | -75.9 | -71.8 | 0 | 0 | 0 | 112.6 | I147 C148 T153 R154 W155 | I147-Y151 HydrophobicContact CG2-CD2 3.56Å; I147-Y151 HydrophobicContact CG2-CE2 3.3Å; I147-Y151 VanDerWaalsContact O-CD2 3.26Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 2.84Å; I147-Y151 VanDerWaalsContact O-N 3.09Å; C148-Y151 PolarHBondContact O-N 3.13Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.05Å; Y151-R154 PolarHBondContact O-N 3.4Å; Y151-W155 PolarHBondContact O-N 2.86Å |
| 152 | L | 61.8 | Low | 57.5 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 45% | 0.45 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -34.8 | 175.1 | -73.8 | 169.5 | 0 | 0 | 0 | 112.9 | C148 I157 | C148-L152 VanDerWaalsContact O-CB 3.32Å; C148-L152 WeakPolarHBondContact O-CB 3.2Å; C148-L152 VanDerWaalsContact O-CG 3.26Å; C148-L152 WeakPolarHBondContact O-CG 3.46Å; C148-L152 PolarHBondContact O-N 2.94Å; C148-L152 VanDerWaalsContact SG-CD1 3.6Å; L152-I157 HydrophobicContact CD2-CD1 4.16Å |
| 153 | T | 55 | Low | 56.7 | Low | 67 Ų | 67 | 126 Ų | 126 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.6 | -30.8 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | K149 V150 Y151 | K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.43Å; K149-T153 PolarHBondContact O-N 3.21Å; K149-T153 VanDerWaalsContact O-N 3.09Å; K149-T153 PolarHBondContact O-OG1 2.99Å; V150-T153 VanDerWaalsContact CA-OG1 3.27Å; V150-T153 WeakPolarHBondContact CA-OG1 2.8Å; V150-T153 PolarHBondContact O-OG1 3.12Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.05Å |
| 154 | R | 58.2 | Low | 55.5 | Low | 216 Ų | 216 | 126.9 Ų | 126.9 | 82% | 0.815 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -78.3 | -26.5 | 176.2 | -167.1 | 162.3 | -179.3 | 154.7 | -1.9 | 113.9 | V150 Y151 G156 | V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.27Å; V150-R154 VanDerWaalsContact O-N 3.1Å; Y151-R154 PolarHBondContact O-N 3.4Å; R154-G156 PolarHBondContact O-N 2.69Å |
| 155 | W | 54 | Low | 54.4 | Low | 222 Ų | 222 | 129.3 Ų | 129.3 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 10.9 | 173.7 | -95.7 | 24.5 | 0 | 0 | 0 | 114.9 | Y151 I157 | Y151-W155 PolarHBondContact O-N 2.86Å; W155-I157 PolarHBondContact O-N 3.12Å |
| 156 | G | 51.4 | Low | 53.8 | Low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.3 | 19.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R154 Q158 | R154-G156 PolarHBondContact O-N 2.69Å; G156-Q158 PolarHBondContact O-N 2.91Å |
| 157 | I | 54.7 | Low | 53.3 | Low | 93 Ų | 93 | 131 Ų | 131 | 48% | 0.477 | 63% | 0.625 | S | S | . | * | trans | -80.2 | 59.3 | 164.1 | -49.1 | 177.7 | 0 | 0 | 0 | 108.4 | L152 W155 | L152-I157 HydrophobicContact CD2-CD1 4.16Å; W155-I157 PolarHBondContact O-N 3.12Å | ||
| 158 | Q | 52.8 | Low | 52.7 | Low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | trans | -80.2 | 131.8 | 167.9 | -95.7 | -75.1 | -9.5 | 0 | 0 | 109.2 | G156 | G156-Q158 PolarHBondContact O-N 2.91Š| ||
| 159 | G | 53.3 | Low | 52 | Low | 62 Ų | 62 | 149.3 Ų | 149.3 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 94.7 | 79 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 160 | R | 49.3 | Very low | 51.3 | Low | 237 Ų | 237 | 146.4 Ų | 146.4 | 89% | 0.894 | 69% | 0.687 | S | S | * | * | S | Bend | 176.7 | -16.7 | 114.7 | -144.7 | 175.4 | -85.4 | -129.1 | 1.4 | 113.2 | |||
| 161 | W | 52.5 | Low | 50.2 | Low | 162 Ų | 162 | 148.9 Ų | 148.9 | 61% | 0.614 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.9 | -29.6 | -173 | -165.9 | 78.5 | 0 | 0 | 0 | 114.4 | M21 K163 | M21-W161 HydrophobicContact CE-CD2 4.13Å; M21-W161 VanDerWaalsContact CE-CE2 3.44Å; M21-W161 HydrophobicContact CE-CE3 4.3Å; M21-W161 HydrophobicContact CE-CH2 3.25Å; M21-W161 HydrophobicContact CE-CZ2 3Å; M21-W161 HydrophobicContact CE-CZ3 3.89Å; M21-W161 HydrophobicContact SD-CH2 4.19Å; M21-W161 HydrophobicContact SD-CZ2 3.35Å; M21-W161 WeakPolarHBondContact SD-CZ2 3.02Å; W161-K163 VanDerWaalsContact C-N 3.35Å; W161-K163 PolarHBondContact O-N 3.3Å |
| 162 | M | 48.4 | Very low | 49.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 56% | 0.562 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -79.6 | -7.6 | -179.8 | -88.5 | -167.9 | 161.4 | 0 | 0 | 115.8 | K149 Q164 | K149-M162 HydrophobicContact CD-CE 3.52Å; K149-M162 HydrophobicContact CG-CE 3.76Å; M162-Q164 PolarHBondContact O-N 3.4Å |
| 163 | K | 50.4 | Low | 48.4 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -88.4 | 55.7 | 169.3 | -72.2 | -165.4 | 179.1 | -173 | 0 | 110.5 | W161 | W161-K163 VanDerWaalsContact C-N 3.35Å; W161-K163 PolarHBondContact O-N 3.3Å | ||
| 164 | Q | 46.5 | Very low | 47.7 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.8 | 110 | 153.5 | -80.7 | -168.2 | -14.6 | 0 | 0 | 106.5 | M162 P166 | M162-Q164 PolarHBondContact O-N 3.4Å; Q164-P166 WeakPolarHBondContact O-CD 3.5Å |
| 165 | D | 43.9 | Very low | 46.7 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | -46.2 | 121.9 | -177 | -71.1 | -68.9 | 0 | 0 | 0 | 111.7 | R167 R168 | D165-R167 HydrophobicContact CB-CB 4.39Å; D165-R167 PolarHBondContact O-N 2.88Å; D165-R168 PolarHBondContact O-N 3.49Å | ||
| 166 | P | 47.6 | Very low | 46 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -57.3 | -15 | 171.9 | -22.4 | 31.9 | 0 | 0 | 0 | 113.1 | Q164 R168 | Q164-P166 WeakPolarHBondContact O-CD 3.5Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.87Å |
| 167 | R | 46 | Very low | 45.3 | Very low | 226 Ų | 226 | 153.7 Ų | 153.7 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -69.9 | -18.4 | 179.7 | -67.8 | -71.8 | -148.3 | 171.8 | 6.3 | 114.1 | D165 | D165-R167 HydrophobicContact CB-CB 4.39Å; D165-R167 PolarHBondContact O-N 2.88Å |
| 168 | R | 44.3 | Very low | 44.7 | Very low | 235 Ų | 235 | 155.8 Ų | 155.8 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -86.9 | -11.4 | -174.6 | -158.7 | 172.9 | -179.9 | -165.3 | 0.3 | 114.4 | D165 P166 | D165-R168 PolarHBondContact O-N 3.49Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 2.87Å |
| 169 | W | 42 | Very low | 44.4 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -106.6 | -3.1 | -178.2 | -151.3 | -91.1 | 0 | 0 | 0 | 114.3 | ||
| 170 | G | 44.6 | Very low | 43.5 | Very low | 52 Ų | 52 | 156.6 Ų | 156.6 | 54% | 0.536 | 78% | 0.776 | S | S | . | * | S | Bend | trans | -94.7 | 99.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 171 | N | 37.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 69.2 | 116.4 | 162.9 | -65.1 | -53 | 0 | 0 | 0 | 118.5 | A173 | N171-A173 PolarHBondContact O-N 3.28Š| ||
| 172 | P | 40.4 | Very low | 42.3 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -72.8 | 0.4 | 157.4 | -0.8 | 16.3 | 0 | 0 | 0 | 113.5 | R174 | P172-R174 PolarHBondContact O-N 2.95Š|
| 173 | A | 42.8 | Very low | 41.8 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101.7 | 44.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N171 | N171-A173 PolarHBondContact O-N 3.28Š|
| 174 | R | 42 | Very low | 41.2 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -165.9 | 74.8 | 153.8 | -137.6 | 159.3 | -175.3 | 129.4 | -2.3 | 112.1 | P172 P176 | P172-R174 PolarHBondContact O-N 2.95Å; R174-P176 WeakPolarHBondContact O-CD 3.14Å | ||
| 175 | A | 37 | Very low | 40.8 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | R177 | A175-R177 PolarHBondContact O-N 3.47Š|
| 176 | P | 38.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.7 | 166.7 | -12.2 | 27.4 | 0 | 0 | 0 | 107.9 | R174 | R174-P176 WeakPolarHBondContact O-CD 3.14Š|
| 177 | R | 37.9 | Very low | 40.4 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130 | 163.7 | -84.4 | -177.6 | 168.7 | 161.3 | -3.1 | 107.9 | A175 G179 | A175-R177 PolarHBondContact O-N 3.47Å; R177-G179 PolarHBondContact O-N 3.41Å |
| 178 | P | 42.2 | Very low | 40.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -72.8 | 109 | 171.5 | 28.4 | -29.4 | 0 | 0 | 0 | 108.3 | ||
| 179 | G | 45 | Very low | 40.5 | Very low | 60 Ų | 60 | 139.1 Ų | 139.1 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | 137.4 | 78.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R177 | R177-G179 PolarHBondContact O-N 3.41Š| ||
| 180 | Q | 35 | Very low | 40 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -164.1 | 138.2 | 152.9 | -148.3 | 80.7 | -33.5 | 0 | 0 | 107.9 | ||||
| 181 | P | 37.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76 | 151.3 | -163.6 | -6 | 22.7 | 0 | 0 | 0 | 113.4 | ||
| 182 | A | 38.6 | Very low | 39.1 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 183 | P | 39.1 | Very low | 39.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.2 | 161.7 | -9.2 | 26.8 | 0 | 0 | 0 | 110.2 | ||
| 184 | Q | 38 | Very low | 38.6 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 151.8 | 177 | -117.5 | 177.2 | -14.7 | 0 | 0 | 113.3 | ||
| 185 | P | 37.6 | Very low | 38 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 133.6 | 172.5 | -1.2 | 19.3 | 0 | 0 | 0 | 111.7 | ||
| 186 | Q | 43.1 | Very low | 38.3 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -110.6 | 133.6 | 164.9 | -80.3 | -174.4 | -31.1 | 0 | 0 | 111.1 | ||||
| 187 | P | 40.8 | Very low | 38 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -114.5 | -180 | 164.7 | 42.3 | -31 | 0 | 0 | 0 | 111.4 | ||||
| 188 | P | 46.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -124.6 | -152.9 | -79 | 43.8 | -24.9 | 0 | 0 | 0 | 111.4 | |||||
| 189 | P | 45.7 | Very low | 37.1 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | -96.8 | 153.7 | -129.3 | 33.8 | -14 | 0 | 0 | 0 | 115.9 | |||||
| 190 | G | 29.7 | Very low | 36.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -154.2 | 113.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 191 | T | 32.1 | Very low | 36.6 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 44.3 | 112.4 | 140 | 41.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 192 | L | 32.8 | Very low | 36.4 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -48.1 | 158.2 | 146.4 | -102 | 134.6 | 0 | 0 | 0 | 110.9 | ||||
| 193 | P | 42.4 | Very low | 36.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -142.8 | 175.6 | 44.5 | 31.4 | -7.5 | 0 | 0 | 0 | 116.5 | ||||
| 194 | Q | 29.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 142.6 | 118.2 | 135.9 | -140.2 | 119.8 | -7.9 | 0 | 0 | 113.8 | ||||
| 195 | A | 28.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -85.6 | -169.2 | 159 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 196 | P | 43.1 | Very low | 35.2 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -137.6 | 158.9 | -12.7 | 38.6 | -21.8 | 0 | 0 | 0 | 114.2 | ||||
| 197 | Q | 32.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -163.1 | 115.2 | 154.3 | -81.2 | -51.6 | -73.5 | 0 | 0 | 108.9 | ||||
| 198 | A | 29.9 | Very low | 34.7 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 77.1 | 96.8 | 95.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 199 | V | 31.8 | Very low | 35.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | 95.2 | 134.8 | 79 | 162.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 200 | H | 33.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 86.1 | 129.3 | 177 | -50.3 | -52 | 0 | 0 | 0 | 115.3 | ||||
| 201 | T | 35.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -167.8 | 136.8 | 20.7 | -8.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 202 | L | 33.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 62.9 | 127.6 | 136.8 | -135.1 | 73.4 | 0 | 0 | 0 | 123.5 | ||||
| 203 | R | 32.1 | Very low | 36.6 | Very low | 246 Ų | 246 | 135.4 Ų | 135.4 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | trans | 95.7 | 121 | 143.5 | -154 | 179.3 | -172.1 | -156.4 | 0.6 | 115.3 | ||||
| 204 | G | 31.9 | Very low | 36.5 | Very low | 60 Ų | 60 | 140.3 Ų | 140.3 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | cis | 178.2 | 141.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 205 | D | 31.9 | Very low | 37.2 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 39.3 | 153.5 | 156.9 | -58.8 | -57.8 | 0 | 0 | 0 | 123.1 | ||||
| 206 | T | 32.7 | Very low | 37.9 | Very low | 88 Ų | 88 | 141.9 Ų | 141.9 | 54% | 0.54 | 78% | 0.78 | S | S | . | * | cis | -179.2 | 153.7 | -25.7 | -76.2 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 207 | H | 36.6 | Very low | 38.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 104.9 | 108.5 | 158 | -53.3 | -72.3 | 0 | 0 | 0 | 119.4 | ||||
| 208 | S | 37.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -107.5 | -175.9 | 146 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 209 | P | 55 | Low | 39.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | -110.3 | -159.6 | -73.9 | 33.5 | -14.2 | 0 | 0 | 0 | 110.4 | |||||
| 210 | P | 49.7 | Very low | 39.9 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 83% | 0.834 | S | S | * | * | -154 | 167.2 | 92.7 | 37.4 | -16.6 | 0 | 0 | 0 | 118.2 | |||||
| 211 | L | 40.3 | Very low | 40.2 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | trans | -29 | 141.4 | 159.4 | -105.5 | 70.4 | 0 | 0 | 0 | 116.2 | ||||
| 212 | M | 41.5 | Very low | 40.5 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 89% | 0.892 | 84% | 0.841 | S | S | * | * | trans | -135.3 | 132.8 | 151.4 | -79.5 | -64.5 | 170.6 | 0 | 0 | 111.6 | ||||
| 213 | T | 39.3 | Very low | 40.9 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -86.4 | 139.8 | -171.2 | -21.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | F | 41 | Very low | 41.5 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | trans | -77.4 | 129.2 | 170.6 | -95.5 | -96.4 | 0 | 0 | 0 | 110.6 | ||||
| 215 | Q | 45.1 | Very low | 42.1 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | trans | -108.3 | 118.3 | 171.2 | -152.8 | -168.1 | 34.7 | 0 | 0 | 108.7 | ||||
| 216 | S | 42.8 | Very low | 42.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -85.1 | 130.6 | 166.6 | -74.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 217 | S | 48.9 | Very low | 43.6 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 87% | 0.873 | S | S | * | * | trans | -135.4 | 122.6 | 161 | -91.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 218 | S | 47.3 | Very low | 44.2 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 88% | 0.877 | S | S | * | * | trans | -96.6 | 135.5 | 164.4 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | A | 42.2 | Very low | 44.8 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 100% | 1.496 | 88% | 0.884 | S | S | * | * | trans | -158.4 | 0 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 219 of 219 residues in 142 ms
(Link to these results)