| 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 | 51.3 | Low | 52.3 | Low | 191 Ų | 191 | 80.2 Ų | 80.2 | 94% | 0.941 | 44% | 0.442 | S | S | * | . | 0 | -43.1 | 0 | -62.3 | -88.9 | 89.8 | 0 | 0 | 112.1 | G3 V4 L5 | M1-G3 PolarHBondContact O-N 3.18Å; M1-V4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 3.3Å | |||
| 2 | F | 47.4 | Very low | 52.5 | Low | 150 Ų | 150 | 91.3 Ų | 91.3 | 66% | 0.658 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.6 | -39.5 | -178.2 | -143.5 | -94.7 | 0 | 0 | 0 | 114.9 | V4 L5 T6 | F2-V4 VanDerWaalsContact C-N 3.3Å; F2-V4 PolarHBondContact O-N 3.33Å; F2-L5 PolarHBondContact O-N 3.34Å; F2-T6 HydrophobicContact CD1-CG2 4.19Å; F2-T6 HydrophobicContact CE1-CG2 4.31Å; F2-T6 PolarHBondContact O-N 3.43Å; F2-T6 PolarHBondContact O-OG1 2.73Å |
| 3 | G | 46.5 | Very low | 52.8 | Low | 27 Ų | 27 | 92 Ų | 92 | 28% | 0.278 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -27.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 T6 I7 | M1-G3 PolarHBondContact O-N 3.18Å; G3-T6 WeakPolarHBondContact CA-OG1 3.23Å; G3-T6 PolarHBondContact O-OG1 2.84Å; G3-I7 WeakPolarHBondContact O-CD1 3.42Å; G3-I7 WeakPolarHBondContact O-CG1 3.23Å; G3-I7 PolarHBondContact O-N 3.06Å |
| 4 | V | 49.3 | Very low | 52.7 | Low | 98 Ų | 98 | 91.9 Ų | 91.9 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -79.1 | -34.7 | 176 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | M1 F2 I7 A8 | M1-V4 PolarHBondContact O-N 3.48Å; F2-V4 VanDerWaalsContact C-N 3.3Å; F2-V4 PolarHBondContact O-N 3.33Å; V4-I7 PolarHBondContact O-N 3.5Å; V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 3.23Å |
| 5 | L | 55.5 | Low | 52.6 | Low | 111 Ų | 111 | 98.9 Ų | 98.9 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 173 | -96.3 | 108.4 | 0 | 0 | 0 | 112.5 | M1 F2 I7 A8 V9 | M1-L5 PolarHBondContact O-N 3.3Å; F2-L5 PolarHBondContact O-N 3.34Å; L5-I7 VanDerWaalsContact C-N 3.31Å; L5-I7 PolarHBondContact O-N 3.05Å; L5-A8 PolarHBondContact O-N 3.37Å; L5-V9 WeakPolarHBondContact O-CB 2.88Å; L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.12Å; L5-V9 PolarHBondContact O-N 3.35Å |
| 6 | T | 54.3 | Low | 52.7 | Low | 21 Ų | 21 | 107.6 Ų | 107.6 | 13% | 0.129 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 176.8 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | F2 G3 R10 F72 | F2-T6 HydrophobicContact CD1-CG2 4.19Å; F2-T6 HydrophobicContact CE1-CG2 4.31Å; F2-T6 PolarHBondContact O-N 3.43Å; F2-T6 PolarHBondContact O-OG1 2.73Å; G3-T6 WeakPolarHBondContact CA-OG1 3.23Å; G3-T6 PolarHBondContact O-OG1 2.84Å; T6-R10 VanDerWaalsContact O-CB 3.28Å; T6-R10 WeakPolarHBondContact O-CB 2.95Å; T6-R10 WeakPolarHBondContact O-CG 3.15Å; T6-R10 PolarHBondContact O-N 2.93Å; T6-R10 VanDerWaalsContact O-N 3.08Å; T6-F72 HydrophobicContact CG2-CE1 4.48Å |
| 7 | I | 53.3 | Low | 52.8 | Low | 59 Ų | 59 | 102.5 Ų | 102.5 | 30% | 0.303 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 172.8 | -67.9 | 165.7 | 0 | 0 | 0 | 110.8 | G3 V4 L5 R10 I11 | G3-I7 WeakPolarHBondContact O-CD1 3.42Å; G3-I7 WeakPolarHBondContact O-CG1 3.23Å; G3-I7 PolarHBondContact O-N 3.06Å; V4-I7 PolarHBondContact O-N 3.5Å; L5-I7 VanDerWaalsContact C-N 3.31Å; L5-I7 PolarHBondContact O-N 3.05Å; I7-R10 PolarHBondContact O-N 2.97Å; I7-I11 HydrophobicContact CG2-CD1 3.5Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CB 3.41Å; I7-I11 WeakPolarHBondContact O-CD1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.49Å; I7-I11 PolarHBondContact O-N 2.92Å |
| 8 | A | 53.1 | Low | 52.8 | Low | 56 Ų | 56 | 108.9 Ų | 108.9 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V4 L5 Y12 | V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 3.23Å; L5-A8 PolarHBondContact O-N 3.37Å; A8-Y12 WeakPolarHBondContact O-CB 3.04Å; A8-Y12 PolarHBondContact O-N 3.13Å; A8-Y12 VanDerWaalsContact O-N 3.14Å |
| 9 | V | 56.1 | Low | 52.9 | Low | 80 Ų | 80 | 104.5 Ų | 104.5 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L5 Y12 Q13 | L5-V9 WeakPolarHBondContact O-CB 2.88Å; L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.12Å; L5-V9 PolarHBondContact O-N 3.35Å; V9-Y12 PolarHBondContact O-N 2.67Å; V9-Q13 PolarHBondContact O-N 2.88Å; V9-Q13 VanDerWaalsContact O-N 3.17Å |
| 10 | R | 53.3 | Low | 53.1 | Low | 17 Ų | 17 | 102 Ų | 102 | 6% | 0.064 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -69.3 | -38 | 178.3 | -83.1 | -70.1 | -175.7 | -98.4 | 10.5 | 113.9 | T6 I7 Y12 Q13 D14 R71 F72 E76 | T6-R10 VanDerWaalsContact O-CB 3.28Å; T6-R10 WeakPolarHBondContact O-CB 2.95Å; T6-R10 WeakPolarHBondContact O-CG 3.15Å; T6-R10 PolarHBondContact O-N 2.93Å; T6-R10 VanDerWaalsContact O-N 3.08Å; I7-R10 PolarHBondContact O-N 2.97Å; R10-Y12 PolarHBondContact O-N 2.66Å; R10-Q13 PolarHBondContact O-N 2.95Å; R10-D14 PolarHBondContact O-N 3.18Å; R10-D14 VanDerWaalsContact O-N 3.16Å; R10-R71 PolarHBondContact NH2-O 3.32Å; R10-F72 PolarHBondContact NH1-O 2.92Å; R10-F72 PolarHBondContact NH2-O 3.4Å; R10-E76 IonicContact CZ-OE1 3.54Å; R10-E76 IonicContact NH1-OE1 3.71Å |
| 11 | I | 54.8 | Low | 53.4 | Low | 72 Ų | 72 | 104.9 Ų | 104.9 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -28.5 | 173.3 | -70 | 168.5 | 0 | 0 | 0 | 111.3 | I7 | I7-I11 HydrophobicContact CG2-CD1 3.5Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CB 3.41Å; I7-I11 WeakPolarHBondContact O-CD1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.49Å; I7-I11 PolarHBondContact O-N 2.92Å |
| 12 | Y | 54.5 | Low | 53.8 | Low | 214 Ų | 214 | 98 Ų | 98 | 84% | 0.839 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -77.7 | -33.1 | 179.8 | -155.3 | -92.1 | 0 | 0 | 0 | 112.9 | A8 V9 R10 | A8-Y12 WeakPolarHBondContact O-CB 3.04Å; A8-Y12 PolarHBondContact O-N 3.13Å; A8-Y12 VanDerWaalsContact O-N 3.14Å; V9-Y12 PolarHBondContact O-N 2.67Å; R10-Y12 PolarHBondContact O-N 2.66Å |
| 13 | Q | 57.1 | Low | 54.6 | Low | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -80.5 | -38.6 | 177.4 | -86.1 | 179.4 | -38.1 | 0 | 0 | 113.5 | V9 R10 E76 | V9-Q13 PolarHBondContact O-N 2.88Å; V9-Q13 VanDerWaalsContact O-N 3.17Å; R10-Q13 PolarHBondContact O-N 2.95Å; Q13-E76 PolarHBondContact NE2-OE2 3.29Å; Q13-E76 PolarHBondContact OE1-OE1 3.47Å; Q13-E76 PolarHBondContact OE1-OE2 3.01Å; Q13-E76 VanDerWaalsContact OE1-OE2 3.08Å |
| 14 | D | 51.1 | Low | 55.3 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | trans | -151.8 | 116 | 176.4 | -159.8 | -9.7 | 0 | 0 | 0 | 111.9 | R10 W16 | R10-D14 PolarHBondContact O-N 3.18Å; R10-D14 VanDerWaalsContact O-N 3.16Å; D14-W16 VanDerWaalsContact C-N 3.3Å; D14-W16 PolarHBondContact O-N 3.35Å; D14-W16 PolarHBondContact OD1-N 2.77Å | ||
| 15 | R | 51.5 | Low | 56.1 | Low | 196 Ų | 196 | 93.1 Ų | 93.1 | 74% | 0.74 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -81.9 | -11.5 | -172.4 | -165.2 | 162.8 | -176.9 | 133.9 | -2.8 | 112.8 | ||
| 16 | W | 54 | Low | 56.6 | Low | 239 Ų | 239 | 89.1 Ų | 89.1 | 91% | 0.905 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -125.6 | -4.1 | -176.7 | -71.7 | 71.9 | 0 | 0 | 0 | 113.8 | D14 | D14-W16 VanDerWaalsContact C-N 3.3Å; D14-W16 PolarHBondContact O-N 3.35Å; D14-W16 PolarHBondContact OD1-N 2.77Å |
| 17 | G | 54.8 | Low | 56.9 | Low | 20 Ų | 20 | 89.2 Ų | 89.2 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -73 | 139 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G19 I20 | G17-G19 PolarHBondContact O-N 3.4Å; G17-I20 WeakPolarHBondContact O-CG1 3.37Å; G17-I20 PolarHBondContact O-N 2.8Å |
| 18 | Y | 53.2 | Low | 57.4 | Low | 218 Ų | 218 | 88.6 Ų | 88.6 | 86% | 0.855 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -10.9 | 173.6 | -92.4 | -93.2 | 0 | 0 | 0 | 114.5 | I20 Y21 | Y18-I20 PolarHBondContact O-N 3.44Å; Y18-Y21 PolarHBondContact O-N 3.27Å |
| 19 | G | 54 | Low | 58.1 | Low | 26 Ų | 26 | 90.2 Ų | 90.2 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -13.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G17 Y21 S22 | G17-G19 PolarHBondContact O-N 3.4Å; G19-Y21 VanDerWaalsContact C-N 3.28Å; G19-Y21 PolarHBondContact O-N 2.85Å; G19-S22 PolarHBondContact O-N 3.3Å; G19-S22 PolarHBondContact O-OG 3.46Å |
| 20 | I | 56.9 | Low | 58.6 | Low | 54 Ų | 54 | 90.8 Ų | 90.8 | 28% | 0.277 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 176.4 | -62.5 | 167.3 | 0 | 0 | 0 | 111.3 | G17 Y18 P24 | G17-I20 WeakPolarHBondContact O-CG1 3.37Å; G17-I20 PolarHBondContact O-N 2.8Å; Y18-I20 PolarHBondContact O-N 3.44Å; I20-P24 WeakPolarHBondContact O-CD 3.22Å |
| 21 | Y | 59.2 | Low | 59.3 | Low | 163 Ų | 163 | 94.6 Ų | 94.6 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -84.6 | -27 | -179.7 | -63 | -75.9 | 0 | 0 | 0 | 113.4 | Y18 G19 G23 P24 I25 | Y18-Y21 PolarHBondContact O-N 3.27Å; G19-Y21 VanDerWaalsContact C-N 3.28Å; G19-Y21 PolarHBondContact O-N 2.85Å; Y21-G23 VanDerWaalsContact C-N 3.31Å; Y21-G23 PolarHBondContact O-N 3.32Å; Y21-P24 WeakPolarHBondContact O-CD 3.33Å; Y21-P24 WeakPolarHBondContact O-CG 3.26Å; Y21-I25 VanDerWaalsContact O-CD1 3.3Å; Y21-I25 WeakPolarHBondContact O-CD1 3.27Å; Y21-I25 VanDerWaalsContact O-CG1 3.27Å; Y21-I25 WeakPolarHBondContact O-CG1 3.21Å; Y21-I25 PolarHBondContact O-N 2.94Å |
| 22 | S | 60.7 | Low | 60.1 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.1 | -29.2 | 179.2 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | G19 G26 | G19-S22 PolarHBondContact O-N 3.3Å; G19-S22 PolarHBondContact O-OG 3.46Å; S22-G26 PolarHBondContact O-N 2.85Å |
| 23 | G | 62.4 | Low | 60.5 | Low | 2 Ų | 2 | 89.7 Ų | 89.7 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -56.8 | -60.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y21 S27 | Y21-G23 VanDerWaalsContact C-N 3.31Å; Y21-G23 PolarHBondContact O-N 3.32Å; G23-S27 VanDerWaalsContact O-CB 3.3Å; G23-S27 WeakPolarHBondContact O-CB 3.19Å; G23-S27 PolarHBondContact O-N 2.82Å; G23-S27 PolarHBondContact O-OG 3.32Å |
| 24 | P | 62.2 | Low | 60.8 | Low | 58 Ų | 58 | 87.9 Ų | 87.9 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 179.9 | 22 | -30.5 | 0 | 0 | 0 | 112.8 | I20 Y21 S27 A28 | I20-P24 WeakPolarHBondContact O-CD 3.22Å; Y21-P24 WeakPolarHBondContact O-CD 3.33Å; Y21-P24 WeakPolarHBondContact O-CG 3.26Å; P24-S27 PolarHBondContact O-N 2.85Å; P24-A28 WeakPolarHBondContact O-CB 3.42Å; P24-A28 PolarHBondContact O-N 3.44Å |
| 25 | I | 65.9 | Low | 61.5 | Low | 113 Ų | 113 | 90.2 Ų | 90.2 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.1 | -48 | 177.7 | -64.4 | 168.2 | 0 | 0 | 0 | 110.5 | Y21 S27 A28 V29 | Y21-I25 VanDerWaalsContact O-CD1 3.3Å; Y21-I25 WeakPolarHBondContact O-CD1 3.27Å; Y21-I25 VanDerWaalsContact O-CG1 3.27Å; Y21-I25 WeakPolarHBondContact O-CG1 3.21Å; Y21-I25 PolarHBondContact O-N 2.94Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.15Å; I25-A28 PolarHBondContact O-N 2.83Å; I25-V29 WeakPolarHBondContact O-CG2 3.37Å; I25-V29 PolarHBondContact O-N 3.3Å; I25-V29 VanDerWaalsContact O-N 3.16Å |
| 26 | G | 65.1 | Low | 62.1 | Low | 27 Ų | 27 | 88.1 Ų | 88.1 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S22 V29 F30 | S22-G26 PolarHBondContact O-N 2.85Å; G26-V29 PolarHBondContact O-N 2.84Å; G26-F30 VanDerWaalsContact O-CB 3.3Å; G26-F30 WeakPolarHBondContact O-CB 3.18Å; G26-F30 PolarHBondContact O-N 3.42Å |
| 27 | S | 61 | Low | 62.5 | Low | 22 Ų | 22 | 79.2 Ų | 79.2 | 15% | 0.154 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | G23 P24 I25 F30 I31 | G23-S27 VanDerWaalsContact O-CB 3.3Å; G23-S27 WeakPolarHBondContact O-CB 3.19Å; G23-S27 PolarHBondContact O-N 2.82Å; G23-S27 PolarHBondContact O-OG 3.32Å; P24-S27 PolarHBondContact O-N 2.85Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.15Å; S27-F30 PolarHBondContact O-N 3.28Å; S27-I31 WeakPolarHBondContact O-CD1 3.27Å; S27-I31 WeakPolarHBondContact O-CG1 3.37Å; S27-I31 PolarHBondContact O-N 2.79Å |
| 28 | A | 65.3 | Low | 62.6 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P24 I25 F30 I31 I32 | P24-A28 WeakPolarHBondContact O-CB 3.42Å; P24-A28 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 2.83Å; A28-F30 VanDerWaalsContact C-N 3.29Å; A28-F30 PolarHBondContact O-N 2.9Å; A28-I31 PolarHBondContact O-N 3.38Å; A28-I32 WeakPolarHBondContact O-CD1 3.33Å; A28-I32 VanDerWaalsContact O-CG1 3.26Å; A28-I32 WeakPolarHBondContact O-CG1 3.43Å; A28-I32 PolarHBondContact O-N 3.2Å |
| 29 | V | 66.6 | Low | 62.8 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 111 | I25 G26 I32 T33 | I25-V29 WeakPolarHBondContact O-CG2 3.37Å; I25-V29 PolarHBondContact O-N 3.3Å; I25-V29 VanDerWaalsContact O-N 3.16Å; G26-V29 PolarHBondContact O-N 2.84Å; V29-I32 PolarHBondContact O-N 3.33Å; V29-T33 WeakPolarHBondContact O-CB 3.42Å; V29-T33 PolarHBondContact O-N 3.42Å; V29-T33 PolarHBondContact O-OG1 3.26Å |
| 30 | F | 67.3 | Low | 62.8 | Low | 93 Ų | 93 | 81.5 Ų | 81.5 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 176.8 | -177 | -112.5 | 0 | 0 | 0 | 112.5 | G26 S27 A28 I32 T33 I34 L68 | G26-F30 VanDerWaalsContact O-CB 3.3Å; G26-F30 WeakPolarHBondContact O-CB 3.18Å; G26-F30 PolarHBondContact O-N 3.42Å; S27-F30 PolarHBondContact O-N 3.28Å; A28-F30 VanDerWaalsContact C-N 3.29Å; A28-F30 PolarHBondContact O-N 2.9Å; F30-I32 VanDerWaalsContact C-N 3.34Å; F30-I32 PolarHBondContact O-N 3.43Å; F30-T33 PolarHBondContact O-N 2.9Å; F30-I34 HydrophobicContact CD1-CD1 3.69Å; F30-I34 HydrophobicContact CD2-CD1 4.42Å; F30-I34 HydrophobicContact CE1-CD1 3.24Å; F30-I34 HydrophobicContact CE1-CG1 4.38Å; F30-I34 HydrophobicContact CE2-CD1 4.04Å; F30-I34 HydrophobicContact CE2-CG1 4.46Å; F30-I34 HydrophobicContact CG-CD1 4.28Å; F30-I34 HydrophobicContact CZ-CD1 3.45Å; F30-I34 VanDerWaalsContact CZ-CD1 3.45Å; F30-I34 HydrophobicContact CZ-CG1 4.31Å; F30-I34 WeakPolarHBondContact O-CG1 3.45Å; F30-I34 PolarHBondContact O-N 3.03Å; F30-L68 HydrophobicContact CD2-CD1 3.35Å; F30-L68 HydrophobicContact CE2-CD1 3.38Å; F30-L68 HydrophobicContact CG-CD1 4.21Å; F30-L68 HydrophobicContact CZ-CD1 4.25Å |
| 31 | I | 66.9 | Low | 62.6 | Low | 96 Ų | 96 | 86.5 Ų | 86.5 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.9 | -68.6 | 164.2 | 0 | 0 | 0 | 110.4 | S27 A28 T33 I34 K35 | S27-I31 WeakPolarHBondContact O-CD1 3.27Å; S27-I31 WeakPolarHBondContact O-CG1 3.37Å; S27-I31 PolarHBondContact O-N 2.79Å; A28-I31 PolarHBondContact O-N 3.38Å; I31-T33 VanDerWaalsContact C-N 3.32Å; I31-T33 PolarHBondContact O-N 3.23Å; I31-I34 PolarHBondContact O-N 2.96Å; I31-K35 HydrophobicContact CG2-CD 4.45Å; I31-K35 HydrophobicContact CG2-CG 4.36Å; I31-K35 WeakPolarHBondContact O-CG 3.42Å; I31-K35 PolarHBondContact O-N 3.45Å |
| 32 | I | 72.6 | Confident | 62.4 | Low | 115 Ų | 115 | 86.4 Ų | 86.4 | 59% | 0.59 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 177.4 | -70.1 | 163.6 | 0 | 0 | 0 | 110.5 | A28 V29 F30 I34 K35 W36 | A28-I32 WeakPolarHBondContact O-CD1 3.33Å; A28-I32 VanDerWaalsContact O-CG1 3.26Å; A28-I32 WeakPolarHBondContact O-CG1 3.43Å; A28-I32 PolarHBondContact O-N 3.2Å; V29-I32 PolarHBondContact O-N 3.33Å; F30-I32 VanDerWaalsContact C-N 3.34Å; F30-I32 PolarHBondContact O-N 3.43Å; I32-I34 PolarHBondContact O-N 3.42Å; I32-K35 PolarHBondContact O-N 2.73Å; I32-W36 WeakPolarHBondContact O-CB 3.45Å; I32-W36 PolarHBondContact O-N 2.89Å |
| 33 | T | 63.2 | Low | 62.1 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | V29 F30 I31 W36 L37 | V29-T33 WeakPolarHBondContact O-CB 3.42Å; V29-T33 PolarHBondContact O-N 3.42Å; V29-T33 PolarHBondContact O-OG1 3.26Å; F30-T33 PolarHBondContact O-N 2.9Å; I31-T33 VanDerWaalsContact C-N 3.32Å; I31-T33 PolarHBondContact O-N 3.23Å; T33-W36 PolarHBondContact O-N 3.21Å; T33-L37 WeakPolarHBondContact O-CB 3.33Å; T33-L37 PolarHBondContact O-N 2.84Å |
| 34 | I | 62.2 | Low | 61.8 | Low | 61 Ų | 61 | 97 Ų | 97 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.4 | -70.2 | 171.7 | 0 | 0 | 0 | 111 | F30 I31 I32 W36 L37 Q38 | F30-I34 HydrophobicContact CD1-CD1 3.69Å; F30-I34 HydrophobicContact CD2-CD1 4.42Å; F30-I34 HydrophobicContact CE1-CD1 3.24Å; F30-I34 HydrophobicContact CE1-CG1 4.38Å; F30-I34 HydrophobicContact CE2-CD1 4.04Å; F30-I34 HydrophobicContact CE2-CG1 4.46Å; F30-I34 HydrophobicContact CG-CD1 4.28Å; F30-I34 HydrophobicContact CZ-CD1 3.45Å; F30-I34 VanDerWaalsContact CZ-CD1 3.45Å; F30-I34 HydrophobicContact CZ-CG1 4.31Å; F30-I34 WeakPolarHBondContact O-CG1 3.45Å; F30-I34 PolarHBondContact O-N 3.03Å; I31-I34 PolarHBondContact O-N 2.96Å; I32-I34 PolarHBondContact O-N 3.42Å; I34-W36 VanDerWaalsContact C-N 3.31Å; I34-W36 PolarHBondContact O-N 3.43Å; I34-L37 PolarHBondContact O-N 3.46Å; I34-Q38 HydrophobicContact CG2-CG 4.19Å; I34-Q38 WeakPolarHBondContact O-CB 3.32Å; I34-Q38 VanDerWaalsContact O-CG 3.29Å; I34-Q38 WeakPolarHBondContact O-CG 3.34Å; I34-Q38 PolarHBondContact O-N 3.22Å |
| 35 | K | 67.3 | Low | 61 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.4 | -36.3 | -179.5 | -67.3 | -156 | 93 | 160.6 | 0 | 111.5 | I31 I32 Q38 K39 | I31-K35 HydrophobicContact CG2-CD 4.45Å; I31-K35 HydrophobicContact CG2-CG 4.36Å; I31-K35 WeakPolarHBondContact O-CG 3.42Å; I31-K35 PolarHBondContact O-N 3.45Å; I32-K35 PolarHBondContact O-N 2.73Å; K35-Q38 PolarHBondContact O-N 2.85Å; K35-K39 WeakPolarHBondContact O-CB 3.07Å; K35-K39 PolarHBondContact O-N 3.49Å |
| 36 | W | 64.2 | Low | 60.2 | Low | 151 Ų | 151 | 99.7 Ų | 99.7 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 171.5 | -178.4 | 76.5 | 0 | 0 | 0 | 110.9 | I32 T33 I34 Q38 K39 M40 | I32-W36 WeakPolarHBondContact O-CB 3.45Å; I32-W36 PolarHBondContact O-N 2.89Å; T33-W36 PolarHBondContact O-N 3.21Å; I34-W36 VanDerWaalsContact C-N 3.31Å; I34-W36 PolarHBondContact O-N 3.43Å; W36-Q38 PolarHBondContact O-N 3.42Å; W36-K39 PolarHBondContact O-N 2.81Å; W36-M40 HydrophobicContact CD2-CG 4.06Å; W36-M40 HydrophobicContact CG-CG 4.45Å; W36-M40 HydrophobicContact CH2-CE 4.38Å; W36-M40 HydrophobicContact CZ2-CE 3.98Å; W36-M40 HydrophobicContact CZ2-CG 4.11Å; W36-M40 HydrophobicContact CZ2-SD 4.28Å; W36-M40 WeakPolarHBondContact O-CB 3.15Å; W36-M40 WeakPolarHBondContact O-CG 3.47Å; W36-M40 PolarHBondContact O-N 2.91Å |
| 37 | L | 60.9 | Low | 59.3 | Low | 52 Ų | 52 | 103 Ų | 103 | 27% | 0.272 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.7 | -168.4 | 66.8 | 0 | 0 | 0 | 112.5 | T33 I34 M40 K41 | T33-L37 WeakPolarHBondContact O-CB 3.33Å; T33-L37 PolarHBondContact O-N 2.84Å; I34-L37 PolarHBondContact O-N 3.46Å; L37-M40 PolarHBondContact O-N 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.41Å; L37-K41 PolarHBondContact O-N 3.49Å |
| 38 | Q | 58.4 | Low | 58.6 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 174.3 | -74.1 | 176.9 | -15.6 | 0 | 0 | 111.8 | I34 K35 W36 M40 K41 Q42 | I34-Q38 HydrophobicContact CG2-CG 4.19Å; I34-Q38 WeakPolarHBondContact O-CB 3.32Å; I34-Q38 VanDerWaalsContact O-CG 3.29Å; I34-Q38 WeakPolarHBondContact O-CG 3.34Å; I34-Q38 PolarHBondContact O-N 3.22Å; K35-Q38 PolarHBondContact O-N 2.85Å; W36-Q38 PolarHBondContact O-N 3.42Å; Q38-M40 VanDerWaalsContact C-N 3.33Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.49Å; Q38-Q42 WeakPolarHBondContact O-CG 3.16Å; Q38-Q42 PolarHBondContact O-N 3.03Å |
| 39 | K | 57.4 | Low | 57.9 | Low | 139 Ų | 139 | 110.1 Ų | 110.1 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 175.8 | -166.7 | 83.6 | 176.3 | -174.6 | 0 | 110.6 | K35 W36 Q42 L43 | K35-K39 WeakPolarHBondContact O-CB 3.07Å; K35-K39 PolarHBondContact O-N 3.49Å; W36-K39 PolarHBondContact O-N 2.81Å; K39-Q42 PolarHBondContact O-N 2.94Å; K39-L43 HydrophobicContact CG-CD1 3.86Å; K39-L43 HydrophobicContact CG-CG 4.36Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 VanDerWaalsContact O-CG 3.26Å; K39-L43 WeakPolarHBondContact O-CG 3.35Å; K39-L43 PolarHBondContact O-N 2.8Å |
| 40 | M | 53.1 | Low | 57.2 | Low | 63 Ų | 63 | 112 Ų | 112 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 174.1 | -70.5 | -70 | -82.3 | 0 | 0 | 112 | W36 L37 Q38 I46 | W36-M40 HydrophobicContact CD2-CG 4.06Å; W36-M40 HydrophobicContact CG-CG 4.45Å; W36-M40 HydrophobicContact CH2-CE 4.38Å; W36-M40 HydrophobicContact CZ2-CE 3.98Å; W36-M40 HydrophobicContact CZ2-CG 4.11Å; W36-M40 HydrophobicContact CZ2-SD 4.28Å; W36-M40 WeakPolarHBondContact O-CB 3.15Å; W36-M40 WeakPolarHBondContact O-CG 3.47Å; W36-M40 PolarHBondContact O-N 2.91Å; L37-M40 PolarHBondContact O-N 3.3Å; Q38-M40 VanDerWaalsContact C-N 3.33Å; M40-I46 HydrophobicContact CE-CD1 4.45Å |
| 41 | K | 52.1 | Low | 56.6 | Low | 160 Ų | 160 | 110.3 Ų | 110.3 | 70% | 0.696 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -37.7 | 173.3 | -172.4 | -179.1 | -179.1 | -177.9 | 0 | 112.6 | L37 Q38 | L37-K41 WeakPolarHBondContact O-CB 3.41Å; L37-K41 PolarHBondContact O-N 3.49Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.49Å |
| 42 | Q | 54.8 | Low | 56 | Low | 161 Ų | 161 | 109.1 Ų | 109.1 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76.1 | -40.3 | 179.3 | -73.7 | -69.2 | -26.4 | 0 | 0 | 112.5 | Q38 K39 R44 | Q38-Q42 WeakPolarHBondContact O-CG 3.16Å; Q38-Q42 PolarHBondContact O-N 3.03Å; K39-Q42 PolarHBondContact O-N 2.94Å; Q42-R44 VanDerWaalsContact C-N 3.26Å; Q42-R44 PolarHBondContact O-N 3.37Å |
| 43 | L | 56.2 | Low | 54.9 | Low | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -23.3 | -174.8 | -77.5 | 170.8 | 0 | 0 | 0 | 113.1 | K39 A45 | K39-L43 HydrophobicContact CG-CD1 3.86Å; K39-L43 HydrophobicContact CG-CG 4.36Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 VanDerWaalsContact O-CG 3.26Å; K39-L43 WeakPolarHBondContact O-CG 3.35Å; K39-L43 PolarHBondContact O-N 2.8Å; L43-A45 WeakPolarHBondContact O-CA 3.38Å; L43-A45 VanDerWaalsContact O-CB 3.32Å; L43-A45 WeakPolarHBondContact O-CB 3.11Å; L43-A45 PolarHBondContact O-N 3.45Å |
| 44 | R | 54.8 | Low | 54.6 | Low | 166 Ų | 166 | 107.7 Ų | 107.7 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | trans | 49.3 | 10.4 | 171.3 | -121.8 | -178.7 | 173.3 | 162.4 | -6.2 | 115.6 | Q42 K50 | Q42-R44 VanDerWaalsContact C-N 3.26Å; Q42-R44 PolarHBondContact O-N 3.37Å; R44-K50 VanDerWaalsContact NH2-CE 3.3Å | ||
| 45 | A | 47.1 | Very low | 54.2 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 74% | 0.744 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L43 | L43-A45 WeakPolarHBondContact O-CA 3.38Å; L43-A45 VanDerWaalsContact O-CB 3.32Å; L43-A45 WeakPolarHBondContact O-CB 3.11Å; L43-A45 PolarHBondContact O-N 3.45Å |
| 46 | I | 48.6 | Very low | 53.6 | Low | 136 Ų | 136 | 109.2 Ų | 109.2 | 70% | 0.697 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 48 | 176.7 | -47.6 | 171.5 | 0 | 0 | 0 | 108.9 | M40 | M40-I46 HydrophobicContact CE-CD1 4.45Š|
| 47 | Y | 45.8 | Very low | 53.3 | Low | 97 Ų | 97 | 103 Ų | 103 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | trans | -130.8 | 104.8 | -175.7 | -105.2 | -88.8 | 0 | 0 | 0 | 113.3 | Y53 | Y47-Y53 AromaticContact CE1-CD1 3.93Å; Y47-Y53 HydrophobicContact CE1-CD1 3.93Å; Y47-Y53 HydrophobicContact CE1-CG 4.14Å; Y47-Y53 AromaticContact CZ-CD1 3.74Å; Y47-Y53 AromaticContact CZ-CE1 4Å; Y47-Y53 WeakPolarHBondContact OH-CD1 3.27Å; Y47-Y53 WeakPolarHBondContact OH-CE1 3.48Å | ||
| 48 | P | 46.2 | Very low | 53.5 | Low | 92 Ų | 92 | 102.2 Ų | 102.2 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | trans | -80.5 | 143.7 | 147.8 | 25.7 | -12.2 | 0 | 0 | 0 | 110.1 | A105 | P48-A105 HydrophobicContact CG-CB 4.06Š| ||
| 49 | E | 49.5 | Very low | 53.6 | Low | 126 Ų | 126 | 99.1 Ų | 99.1 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | trans | 24 | 127.7 | 175 | -133.8 | -169.7 | 156 | 0 | 0 | 122.3 | S51 | E49-S51 PolarHBondContact O-N 2.9Å; E49-S51 PolarHBondContact OE1-OG 3.28Å | ||
| 50 | K | 52.2 | Low | 54 | Low | 128 Ų | 128 | 92.5 Ų | 92.5 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -77.8 | -16.3 | -170.5 | -58.4 | -136.1 | -176.3 | -171.4 | 0 | 116.4 | R44 T54 | R44-K50 VanDerWaalsContact NH2-CE 3.3Å; K50-T54 PolarHBondContact O-OG1 2.88Å |
| 51 | S | 54.6 | Low | 54.7 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -81.7 | -30.9 | -174.3 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | E49 T54 | E49-S51 PolarHBondContact O-N 2.9Å; E49-S51 PolarHBondContact OE1-OG 3.28Å; S51-T54 PolarHBondContact O-OG1 3.24Å |
| 52 | V | 54.5 | Low | 55.3 | Low | 71 Ų | 71 | 89.6 Ų | 89.6 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -80.2 | -32 | -175 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | A111 | V52-A111 HydrophobicContact CG2-CB 4.38Å |
| 53 | Y | 50.9 | Low | 55.8 | Low | 50 Ų | 50 | 86.1 Ų | 86.1 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -88.4 | -28.7 | -173.1 | -151.8 | -111 | 0 | 0 | 0 | 114.2 | Y47 Q55 Q56 V57 P99 | Y47-Y53 AromaticContact CE1-CD1 3.93Å; Y47-Y53 HydrophobicContact CE1-CD1 3.93Å; Y47-Y53 HydrophobicContact CE1-CG 4.14Å; Y47-Y53 AromaticContact CZ-CD1 3.74Å; Y47-Y53 AromaticContact CZ-CE1 4Å; Y47-Y53 WeakPolarHBondContact OH-CD1 3.27Å; Y47-Y53 WeakPolarHBondContact OH-CE1 3.48Å; Y53-Q55 PolarHBondContact O-N 3.48Å; Y53-Q56 PolarHBondContact O-N 3.43Å; Y53-V57 HydrophobicContact CD1-CB 3.93Å; Y53-V57 HydrophobicContact CD1-CG2 3.35Å; Y53-V57 HydrophobicContact CD2-CG2 4.05Å; Y53-V57 HydrophobicContact CE1-CB 3.91Å; Y53-V57 HydrophobicContact CE1-CG1 4.34Å; Y53-V57 HydrophobicContact CE1-CG2 2.97Å; Y53-V57 HydrophobicContact CE2-CG2 3.67Å; Y53-V57 HydrophobicContact CG-CG2 3.9Å; Y53-V57 WeakPolarHBondContact O-CB 3.25Å; Y53-V57 PolarHBondContact O-N 3.12Å; Y53-P99 HydrophobicContact CE2-CB 4.24Å; Y53-P99 HydrophobicContact CE2-CG 3.96Å |
| 54 | T | 55.8 | Low | 56.3 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 64% | 0.638 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.9 | -29.1 | 171.1 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | K50 S51 G58 | K50-T54 PolarHBondContact O-OG1 2.88Å; S51-T54 PolarHBondContact O-OG1 3.24Å; T54-G58 PolarHBondContact O-N 3.47Å |
| 55 | Q | 55.1 | Low | 57 | Low | 141 Ų | 141 | 76.1 Ų | 76.1 | 66% | 0.659 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -78.2 | -21.5 | 176.5 | -159.1 | 173.2 | -14.5 | 0 | 0 | 113.3 | Y53 P59 | Y53-Q55 PolarHBondContact O-N 3.48Å; Q55-P59 WeakPolarHBondContact O-CD 3.42Å; Q55-P59 WeakPolarHBondContact O-CG 3.44Å |
| 56 | Q | 53.9 | Low | 57.8 | Low | 93 Ų | 93 | 75.5 Ų | 75.5 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -104 | -33.5 | -180 | -110.1 | 174.1 | -21.8 | 0 | 0 | 114.1 | Y53 P59 G60 | Y53-Q56 PolarHBondContact O-N 3.43Å; Q56-P59 WeakPolarHBondContact O-CD 3.3Å; Q56-P59 WeakPolarHBondContact O-CG 3.26Å; Q56-G60 PolarHBondContact O-N 3.38Å |
| 57 | V | 57.4 | Low | 58.5 | Low | 22 Ų | 22 | 69.1 Ų | 69.1 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -87.5 | -25.2 | 179 | 167.9 | 0 | 0 | 0 | 0 | 113.7 | Y53 G60 C61 | Y53-V57 HydrophobicContact CD1-CB 3.93Å; Y53-V57 HydrophobicContact CD1-CG2 3.35Å; Y53-V57 HydrophobicContact CD2-CG2 4.05Å; Y53-V57 HydrophobicContact CE1-CB 3.91Å; Y53-V57 HydrophobicContact CE1-CG1 4.34Å; Y53-V57 HydrophobicContact CE1-CG2 2.97Å; Y53-V57 HydrophobicContact CE2-CG2 3.67Å; Y53-V57 HydrophobicContact CG-CG2 3.9Å; Y53-V57 WeakPolarHBondContact O-CB 3.25Å; Y53-V57 PolarHBondContact O-N 3.12Å; V57-G60 PolarHBondContact O-N 2.77Å; V57-C61 VanDerWaalsContact O-CB 3.25Å; V57-C61 WeakPolarHBondContact O-CB 3.21Å; V57-C61 PolarHBondContact O-N 3.48Å |
| 58 | G | 64.8 | Low | 59.4 | Low | 34 Ų | 34 | 66.5 Ų | 66.5 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.1 | -58.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T54 G60 C61 C62 | T54-G58 PolarHBondContact O-N 3.47Å; G58-G60 PolarHBondContact O-N 3.44Å; G58-C61 PolarHBondContact O-N 3.07Å; G58-C62 PolarHBondContact O-N 3.39Å |
| 59 | P | 62.2 | Low | 60.2 | Low | 45 Ų | 45 | 66.5 Ų | 66.5 | 29% | 0.292 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 179.5 | 19 | -27.3 | 0 | 0 | 0 | 112.7 | Q55 Q56 C61 C62 F63 L96 | Q55-P59 WeakPolarHBondContact O-CD 3.42Å; Q55-P59 WeakPolarHBondContact O-CG 3.44Å; Q56-P59 WeakPolarHBondContact O-CD 3.3Å; Q56-P59 WeakPolarHBondContact O-CG 3.26Å; P59-C61 VanDerWaalsContact C-N 3.3Å; P59-C61 PolarHBondContact O-N 2.87Å; P59-C62 PolarHBondContact O-N 3.05Å; P59-F63 HydrophobicContact CB-CD2 4.29Å; P59-F63 HydrophobicContact CB-CE2 4.24Å; P59-F63 WeakPolarHBondContact O-CB 3.45Å; P59-F63 WeakPolarHBondContact O-CD2 3.36Å; P59-F63 PolarHBondContact O-N 2.97Å; P59-L96 HydrophobicContact CB-CD1 4.36Å |
| 60 | G | 64.1 | Low | 60.9 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q56 V57 G58 G64 S93 | Q56-G60 PolarHBondContact O-N 3.38Å; V57-G60 PolarHBondContact O-N 2.77Å; G58-G60 PolarHBondContact O-N 3.44Å; G60-G64 PolarHBondContact O-N 2.8Å; G60-S93 PolarHBondContact O-OG 2.87Å |
| 61 | C | 68.2 | Low | 61.4 | Low | 76 Ų | 76 | 58.9 Ų | 58.9 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 175.3 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | V57 G58 P59 G64 A65 | V57-C61 VanDerWaalsContact O-CB 3.25Å; V57-C61 WeakPolarHBondContact O-CB 3.21Å; V57-C61 PolarHBondContact O-N 3.48Å; G58-C61 PolarHBondContact O-N 3.07Å; P59-C61 VanDerWaalsContact C-N 3.3Å; P59-C61 PolarHBondContact O-N 2.87Å; C61-G64 PolarHBondContact O-N 3.48Å; C61-A65 WeakPolarHBondContact O-CB 3.46Å; C61-A65 PolarHBondContact O-N 3.34Å |
| 62 | C | 64.4 | Low | 61.5 | Low | 87 Ų | 87 | 57.9 Ų | 57.9 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 173.8 | -78.2 | 0 | 0 | 0 | 0 | 112 | G58 P59 G64 A65 L66 | G58-C62 PolarHBondContact O-N 3.39Å; P59-C62 PolarHBondContact O-N 3.05Å; C62-G64 VanDerWaalsContact C-N 3.32Å; C62-G64 PolarHBondContact O-N 3.47Å; C62-A65 PolarHBondContact O-N 3.48Å; C62-L66 VanDerWaalsContact O-CB 3.27Å; C62-L66 WeakPolarHBondContact O-CB 3.27Å; C62-L66 PolarHBondContact O-N 3.31Å |
| 63 | F | 66.5 | Low | 61.7 | Low | 87 Ų | 87 | 62.9 Ų | 62.9 | 38% | 0.382 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 175.6 | -76.8 | -65.8 | 0 | 0 | 0 | 112.1 | P59 L66 A67 V92 L96 | P59-F63 HydrophobicContact CB-CD2 4.29Å; P59-F63 HydrophobicContact CB-CE2 4.24Å; P59-F63 WeakPolarHBondContact O-CB 3.45Å; P59-F63 WeakPolarHBondContact O-CD2 3.36Å; P59-F63 PolarHBondContact O-N 2.97Å; F63-L66 PolarHBondContact O-N 2.82Å; F63-A67 VanDerWaalsContact O-CB 3.3Å; F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 3.49Å; F63-V92 HydrophobicContact CD2-CG1 4.07Å; F63-V92 HydrophobicContact CE2-CG1 4.39Å; F63-V92 HydrophobicContact CG-CG1 4.17Å; F63-L96 HydrophobicContact CD2-CD1 3.82Å; F63-L96 HydrophobicContact CE2-CD1 4.26Å |
| 64 | G | 67 | Low | 61.8 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G60 C61 C62 L66 A67 L68 S93 | G60-G64 PolarHBondContact O-N 2.8Å; C61-G64 PolarHBondContact O-N 3.48Å; C62-G64 VanDerWaalsContact C-N 3.32Å; C62-G64 PolarHBondContact O-N 3.47Å; G64-L66 VanDerWaalsContact C-N 3.33Å; G64-A67 PolarHBondContact O-N 3.16Å; G64-L68 WeakPolarHBondContact O-CG 3.45Å; G64-L68 PolarHBondContact O-N 2.93Å; G64-S93 PolarHBondContact N-OG 3.22Å |
| 65 | A | 67.7 | Low | 61.7 | Low | 48 Ų | 48 | 62.5 Ų | 62.5 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C61 C62 L68 M69 | C61-A65 WeakPolarHBondContact O-CB 3.46Å; C61-A65 PolarHBondContact O-N 3.34Å; C62-A65 PolarHBondContact O-N 3.48Å; A65-L68 PolarHBondContact O-N 2.98Å; A65-M69 WeakPolarHBondContact O-CB 3.1Å; A65-M69 VanDerWaalsContact O-CG 3.24Å; A65-M69 WeakPolarHBondContact O-CG 3.13Å; A65-M69 PolarHBondContact O-N 2.94Å |
| 66 | L | 64.9 | Low | 61.5 | Low | 76 Ų | 76 | 60.1 Ų | 60.1 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 178.5 | -158.5 | 147.8 | 0 | 0 | 0 | 111.9 | C62 F63 G64 L68 M69 L70 F85 | C62-L66 VanDerWaalsContact O-CB 3.27Å; C62-L66 WeakPolarHBondContact O-CB 3.27Å; C62-L66 PolarHBondContact O-N 3.31Å; F63-L66 PolarHBondContact O-N 2.82Å; G64-L66 VanDerWaalsContact C-N 3.33Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-L68 PolarHBondContact O-N 3.29Å; L66-M69 PolarHBondContact O-N 3.31Å; L66-L70 HydrophobicContact CD2-CD1 4.18Å; L66-L70 PolarHBondContact O-N 2.95Å; L66-F85 HydrophobicContact CD2-CE1 3.89Å; L66-F85 HydrophobicContact CD2-CZ 4.32Å |
| 67 | A | 62.7 | Low | 61.5 | Low | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F63 G64 L70 R71 S89 | F63-A67 VanDerWaalsContact O-CB 3.3Å; F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 3.49Å; G64-A67 PolarHBondContact O-N 3.16Å; A67-L70 PolarHBondContact O-N 3.31Å; A67-R71 PolarHBondContact O-N 3.46Å; A67-R71 VanDerWaalsContact O-N 3.07Å; A67-S89 WeakPolarHBondContact CA-OG 3.25Å; A67-S89 WeakPolarHBondContact CB-OG 3.43Å |
| 68 | L | 65.3 | Low | 61.5 | Low | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.2 | -76.1 | 163.6 | 0 | 0 | 0 | 111.3 | F30 G64 A65 L66 L70 R71 F72 | F30-L68 HydrophobicContact CD2-CD1 3.35Å; F30-L68 HydrophobicContact CE2-CD1 3.38Å; F30-L68 HydrophobicContact CG-CD1 4.21Å; F30-L68 HydrophobicContact CZ-CD1 4.25Å; G64-L68 WeakPolarHBondContact O-CG 3.45Å; G64-L68 PolarHBondContact O-N 2.93Å; A65-L68 PolarHBondContact O-N 2.98Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-L68 PolarHBondContact O-N 3.29Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 2.86Å; L68-R71 PolarHBondContact O-N 2.98Å; L68-F72 HydrophobicContact CD2-CE2 4.17Å; L68-F72 WeakPolarHBondContact O-CB 3.3Å; L68-F72 WeakPolarHBondContact O-CD2 3.21Å; L68-F72 PolarHBondContact O-N 3.44Å |
| 69 | M | 62.9 | Low | 61.3 | Low | 92 Ų | 92 | 75 Ų | 75 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 175.2 | -75.7 | -70 | 103.7 | 0 | 0 | 111.6 | A65 L66 F72 Y73 | A65-M69 WeakPolarHBondContact O-CB 3.1Å; A65-M69 VanDerWaalsContact O-CG 3.24Å; A65-M69 WeakPolarHBondContact O-CG 3.13Å; A65-M69 PolarHBondContact O-N 2.94Å; L66-M69 PolarHBondContact O-N 3.31Å; M69-F72 PolarHBondContact O-N 2.95Å; M69-Y73 VanDerWaalsContact O-CB 3.22Å; M69-Y73 WeakPolarHBondContact O-CB 3.48Å; M69-Y73 PolarHBondContact O-N 3.41Å |
| 70 | L | 64.4 | Low | 61.4 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 178.2 | -106.6 | 72.2 | 0 | 0 | 0 | 113.7 | L66 A67 L68 F72 F74 V82 F85 | L66-L70 HydrophobicContact CD2-CD1 4.18Å; L66-L70 PolarHBondContact O-N 2.95Å; A67-L70 PolarHBondContact O-N 3.31Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 2.86Å; L70-F72 VanDerWaalsContact C-N 3.27Å; L70-F72 PolarHBondContact O-N 3.46Å; L70-F74 PolarHBondContact O-N 2.87Å; L70-V82 WeakPolarHBondContact O-CG1 3.41Å; L70-F85 HydrophobicContact CD2-CB 4.35Å; L70-F85 HydrophobicContact CD2-CD1 3.03Å; L70-F85 HydrophobicContact CD2-CE1 3.32Å; L70-F85 HydrophobicContact CD2-CG 3.82Å; L70-F85 HydrophobicContact CD2-CZ 4.29Å; L70-F85 HydrophobicContact CG-CD1 4.39Å |
| 71 | R | 61.5 | Low | 61.4 | Low | 54 Ų | 54 | 84.4 Ų | 84.4 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 172.9 | -165.1 | 77.3 | -176.6 | 118.4 | 16.1 | 111.2 | R10 A67 L68 E75 Y86 | R10-R71 PolarHBondContact NH2-O 3.32Å; A67-R71 PolarHBondContact O-N 3.46Å; A67-R71 VanDerWaalsContact O-N 3.07Å; L68-R71 PolarHBondContact O-N 2.98Å; R71-E75 IonicContact CZ-OE1 3.54Å; R71-E75 IonicContact CZ-OE2 3.13Å; R71-E75 VanDerWaalsContact NH1-CD 3.26Å; R71-E75 IonicContact NH1-OE1 3.6Å; R71-E75 PolarHBondContact NH1-OE1 3.29Å; R71-E75 IonicContact NH1-OE2 2.83Å; R71-E75 IonicContact NH2-OE1 3.82Å; R71-E75 PolarHBondContact NH2-OE1 2.94Å; R71-E75 IonicContact NH2-OE2 2.79Å; R71-Y86 HydrophobicContact CB-CD2 3.87Å; R71-Y86 HydrophobicContact CB-CE2 4.02Å; R71-Y86 HydrophobicContact CG-CD2 4.22Å; R71-Y86 HydrophobicContact CG-CE2 4.13Å |
| 72 | F | 58.4 | Low | 61.3 | Low | 36 Ų | 36 | 81.2 Ų | 81.2 | 16% | 0.158 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -87 | -21.8 | -177.5 | -79.5 | -70.2 | 0 | 0 | 0 | 115.1 | T6 R10 L68 M69 L70 | T6-F72 HydrophobicContact CG2-CE1 4.48Å; R10-F72 PolarHBondContact NH1-O 2.92Å; R10-F72 PolarHBondContact NH2-O 3.4Å; L68-F72 HydrophobicContact CD2-CE2 4.17Å; L68-F72 WeakPolarHBondContact O-CB 3.3Å; L68-F72 WeakPolarHBondContact O-CD2 3.21Å; L68-F72 PolarHBondContact O-N 3.44Å; M69-F72 PolarHBondContact O-N 2.95Å; L70-F72 VanDerWaalsContact C-N 3.27Å; L70-F72 PolarHBondContact O-N 3.46Å |
| 73 | Y | 57 | Low | 61.5 | Low | 177 Ų | 177 | 80.3 Ų | 80.3 | 69% | 0.694 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -111 | -21.4 | -172.2 | -137.3 | -92.2 | 0 | 0 | 0 | 114.2 | M69 | M69-Y73 VanDerWaalsContact O-CB 3.22Å; M69-Y73 WeakPolarHBondContact O-CB 3.48Å; M69-Y73 PolarHBondContact O-N 3.41Å |
| 74 | F | 54.4 | Low | 61.8 | Low | 105 Ų | 105 | 79.7 Ų | 79.7 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -121 | 2 | -169.5 | -96.8 | -86.1 | 0 | 0 | 0 | 114.7 | L70 E76 W77 V82 | L70-F74 PolarHBondContact O-N 2.87Å; F74-E76 PolarHBondContact O-N 3.28Å; F74-W77 HydrophobicContact CD1-CB 4.35Å; F74-W77 PolarHBondContact O-N 3.26Å; F74-V82 HydrophobicContact CB-CG1 4.18Å; F74-V82 HydrophobicContact CB-CG2 3.76Å; F74-V82 WeakPolarHBondContact O-CG2 3.43Å |
| 75 | E | 52.8 | Low | 62 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 19% | 0.192 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.2 | -179.7 | -171.5 | 157 | -157.1 | 0 | 0 | 113.2 | R71 Y79 | R71-E75 IonicContact CZ-OE1 3.54Å; R71-E75 IonicContact CZ-OE2 3.13Å; R71-E75 VanDerWaalsContact NH1-CD 3.26Å; R71-E75 IonicContact NH1-OE1 3.6Å; R71-E75 PolarHBondContact NH1-OE1 3.29Å; R71-E75 IonicContact NH1-OE2 2.83Å; R71-E75 IonicContact NH2-OE1 3.82Å; R71-E75 PolarHBondContact NH2-OE1 2.94Å; R71-E75 IonicContact NH2-OE2 2.79Å; E75-Y79 HydrophobicContact CG-CD2 4.22Å; E75-Y79 HydrophobicContact CG-CE2 4.47Å |
| 76 | E | 51.8 | Low | 62.1 | Low | 91 Ų | 91 | 82.7 Ų | 82.7 | 43% | 0.425 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19.5 | 178.4 | -70.5 | 94.3 | -146.8 | 0 | 0 | 115.3 | R10 Q13 F74 | R10-E76 IonicContact CZ-OE1 3.54Å; R10-E76 IonicContact NH1-OE1 3.71Å; Q13-E76 PolarHBondContact NE2-OE2 3.29Å; Q13-E76 PolarHBondContact OE1-OE1 3.47Å; Q13-E76 PolarHBondContact OE1-OE2 3.01Å; Q13-E76 VanDerWaalsContact OE1-OE2 3.08Å; F74-E76 PolarHBondContact O-N 3.28Å |
| 77 | W | 53.9 | Low | 62.6 | Low | 212 Ų | 212 | 83.4 Ų | 83.4 | 80% | 0.803 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -34.3 | -171.3 | -87.9 | 77.9 | 0 | 0 | 0 | 114.5 | F74 | F74-W77 HydrophobicContact CD1-CB 4.35Å; F74-W77 PolarHBondContact O-N 3.26Å |
| 78 | D | 57.4 | Low | 63.2 | Low | 108 Ų | 108 | 88.4 Ų | 88.4 | 58% | 0.578 | 41% | 0.411 | S | S | * | . | trans | -161.9 | 84.8 | 178.1 | -99.7 | -57.2 | 0 | 0 | 0 | 112.5 | A80 Y81 V82 | D78-A80 VanDerWaalsContact C-N 3.27Å; D78-A80 PolarHBondContact O-N 3.08Å; D78-A80 VanDerWaalsContact O-N 3.15Å; D78-Y81 PolarHBondContact O-N 2.82Å; D78-V82 WeakPolarHBondContact O-CB 3.24Å; D78-V82 VanDerWaalsContact O-CG2 3.25Å; D78-V82 WeakPolarHBondContact O-CG2 3.43Å; D78-V82 PolarHBondContact O-N 3.5Å; D78-V82 VanDerWaalsContact O-N 3.08Å | ||
| 79 | Y | 60.5 | Low | 63.3 | Low | 141 Ų | 141 | 86.7 Ų | 86.7 | 55% | 0.553 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -51.3 | -41.7 | -174.5 | -170 | -94.3 | 0 | 0 | 0 | 113.5 | E75 H83 | E75-Y79 HydrophobicContact CG-CD2 4.22Å; E75-Y79 HydrophobicContact CG-CE2 4.47Å; Y79-H83 WeakPolarHBondContact O-CB 3.33Å; Y79-H83 PolarHBondContact O-N 2.85Å |
| 80 | A | 63.9 | Low | 63.6 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.8 | -43 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D78 S84 | D78-A80 VanDerWaalsContact C-N 3.27Å; D78-A80 PolarHBondContact O-N 3.08Å; D78-A80 VanDerWaalsContact O-N 3.15Å; A80-S84 PolarHBondContact O-N 3.15Å; A80-S84 PolarHBondContact O-OG 2.83Å |
| 81 | Y | 64.4 | Low | 63.9 | Low | 169 Ų | 169 | 85 Ų | 85 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.3 | -42.3 | -177.4 | -166.5 | -99.6 | 0 | 0 | 0 | 111 | D78 H83 S84 F85 | D78-Y81 PolarHBondContact O-N 2.82Å; Y81-H83 VanDerWaalsContact C-N 3.34Å; Y81-H83 PolarHBondContact O-N 2.92Å; Y81-S84 PolarHBondContact O-N 3.33Å; Y81-F85 WeakPolarHBondContact O-CB 3.3Å; Y81-F85 PolarHBondContact O-N 2.79Å |
| 82 | V | 65.1 | Low | 64.2 | Low | 8 Ų | 8 | 85.1 Ų | 85.1 | 5% | 0.048 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 111 | L70 F74 D78 Y86 | L70-V82 WeakPolarHBondContact O-CG1 3.41Å; F74-V82 HydrophobicContact CB-CG1 4.18Å; F74-V82 HydrophobicContact CB-CG2 3.76Å; F74-V82 WeakPolarHBondContact O-CG2 3.43Å; D78-V82 WeakPolarHBondContact O-CB 3.24Å; D78-V82 VanDerWaalsContact O-CG2 3.25Å; D78-V82 WeakPolarHBondContact O-CG2 3.43Å; D78-V82 PolarHBondContact O-N 3.5Å; D78-V82 VanDerWaalsContact O-N 3.08Å; V82-Y86 WeakPolarHBondContact O-CB 3.27Å; V82-Y86 PolarHBondContact O-N 3.27Å |
| 83 | H | 69.1 | Low | 64.7 | Low | 68 Ų | 68 | 83.8 Ų | 83.8 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.9 | -168.3 | 78.8 | 0 | 0 | 0 | 112.1 | Y79 Y81 Y86 H87 | Y79-H83 WeakPolarHBondContact O-CB 3.33Å; Y79-H83 PolarHBondContact O-N 2.85Å; Y81-H83 VanDerWaalsContact C-N 3.34Å; Y81-H83 PolarHBondContact O-N 2.92Å; H83-Y86 WeakPolarHBondContact O-CB 3.45Å; H83-Y86 PolarHBondContact O-N 3.48Å; H83-H87 AromaticContact CD2-CD2 3.54Å; H83-H87 AromaticContact CD2-NE2 3.48Å; H83-H87 PolarHBondContact CD2-NE2 3.43Å; H83-H87 AromaticContact CE1-CD2 4Å; H83-H87 AromaticContact CE1-NE2 3.24Å; H83-H87 PolarHBondContact CE1-NE2 3.06Å; H83-H87 AromaticContact ND1-NE2 3.93Å; H83-H87 AromaticContact NE2-CD2 3.47Å; H83-H87 PolarHBondContact NE2-CD2 3.38Å; H83-H87 AromaticContact NE2-NE2 2.88Å; H83-H87 PolarHBondContact NE2-NE2 3.47Å; H83-H87 PolarHBondContact O-CD2 2.94Å; H83-H87 PolarHBondContact O-N 3.07Å |
| 84 | S | 73.5 | Confident | 65.3 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 177.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | A80 Y81 Y86 H87 L88 | A80-S84 PolarHBondContact O-N 3.15Å; A80-S84 PolarHBondContact O-OG 2.83Å; Y81-S84 PolarHBondContact O-N 3.33Å; S84-Y86 VanDerWaalsContact C-N 3.34Å; S84-Y86 PolarHBondContact O-N 3.43Å; S84-H87 PolarHBondContact O-N 2.88Å; S84-L88 PolarHBondContact O-N 3.32Å |
| 85 | F | 69.4 | Low | 66.1 | Low | 74 Ų | 74 | 81.1 Ų | 81.1 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.4 | -168.7 | -81.8 | 0 | 0 | 0 | 112.4 | L66 L70 Y81 L88 S89 | L66-F85 HydrophobicContact CD2-CE1 3.89Å; L66-F85 HydrophobicContact CD2-CZ 4.32Å; L70-F85 HydrophobicContact CD2-CB 4.35Å; L70-F85 HydrophobicContact CD2-CD1 3.03Å; L70-F85 HydrophobicContact CD2-CE1 3.32Å; L70-F85 HydrophobicContact CD2-CG 3.82Å; L70-F85 HydrophobicContact CD2-CZ 4.29Å; L70-F85 HydrophobicContact CG-CD1 4.39Å; Y81-F85 WeakPolarHBondContact O-CB 3.3Å; Y81-F85 PolarHBondContact O-N 2.79Å; F85-L88 PolarHBondContact O-N 2.86Å; F85-S89 WeakPolarHBondContact O-CB 3.08Å; F85-S89 PolarHBondContact O-N 3.45Å; F85-S89 PolarHBondContact O-OG 2.94Å |
| 86 | Y | 71.4 | Confident | 66.6 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 172.8 | 169.5 | -100.6 | 0 | 0 | 0 | 111.2 | R71 V82 H83 S84 L88 S89 L90 | R71-Y86 HydrophobicContact CB-CD2 3.87Å; R71-Y86 HydrophobicContact CB-CE2 4.02Å; R71-Y86 HydrophobicContact CG-CD2 4.22Å; R71-Y86 HydrophobicContact CG-CE2 4.13Å; V82-Y86 WeakPolarHBondContact O-CB 3.27Å; V82-Y86 PolarHBondContact O-N 3.27Å; H83-Y86 WeakPolarHBondContact O-CB 3.45Å; H83-Y86 PolarHBondContact O-N 3.48Å; S84-Y86 VanDerWaalsContact C-N 3.34Å; S84-Y86 PolarHBondContact O-N 3.43Å; Y86-L88 VanDerWaalsContact C-N 3.32Å; Y86-L88 PolarHBondContact O-N 2.85Å; Y86-S89 PolarHBondContact O-N 3.46Å; Y86-S89 PolarHBondContact O-OG 3.45Å; Y86-S89 VanDerWaalsContact O-OG 3.05Å; Y86-L90 HydrophobicContact CE1-CD2 4.04Å; Y86-L90 WeakPolarHBondContact O-CB 3.3Å; Y86-L90 PolarHBondContact O-N 2.74Å |
| 87 | H | 75.6 | Confident | 67.1 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 177.1 | -74.5 | -61 | 0 | 0 | 0 | 112.5 | H83 S84 A91 | H83-H87 AromaticContact CD2-CD2 3.54Å; H83-H87 AromaticContact CD2-NE2 3.48Å; H83-H87 PolarHBondContact CD2-NE2 3.43Å; H83-H87 AromaticContact CE1-CD2 4Å; H83-H87 AromaticContact CE1-NE2 3.24Å; H83-H87 PolarHBondContact CE1-NE2 3.06Å; H83-H87 AromaticContact ND1-NE2 3.93Å; H83-H87 AromaticContact NE2-CD2 3.47Å; H83-H87 PolarHBondContact NE2-CD2 3.38Å; H83-H87 AromaticContact NE2-NE2 2.88Å; H83-H87 PolarHBondContact NE2-NE2 3.47Å; H83-H87 PolarHBondContact O-CD2 2.94Å; H83-H87 PolarHBondContact O-N 3.07Å; S84-H87 PolarHBondContact O-N 2.88Å; H87-A91 WeakPolarHBondContact O-CB 3.48Å; H87-A91 PolarHBondContact O-N 3.21Å |
| 88 | L | 74.1 | Confident | 67.4 | Low | 107 Ų | 107 | 74.7 Ų | 74.7 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.4 | -51.4 | 176.8 | -179 | 64.1 | 0 | 0 | 0 | 111.7 | S84 F85 Y86 L90 A91 V92 | S84-L88 PolarHBondContact O-N 3.32Å; F85-L88 PolarHBondContact O-N 2.86Å; Y86-L88 VanDerWaalsContact C-N 3.32Å; Y86-L88 PolarHBondContact O-N 2.85Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3.46Å; L88-A91 PolarHBondContact O-N 3.4Å; L88-V92 VanDerWaalsContact O-CG2 3.27Å; L88-V92 WeakPolarHBondContact O-CG2 3.44Å; L88-V92 PolarHBondContact O-N 3.29Å |
| 89 | S | 67.1 | Low | 67.3 | Low | 6 Ų | 6 | 72.8 Ų | 72.8 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | 179.6 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | A67 F85 Y86 S93 | A67-S89 WeakPolarHBondContact CA-OG 3.25Å; A67-S89 WeakPolarHBondContact CB-OG 3.43Å; F85-S89 WeakPolarHBondContact O-CB 3.08Å; F85-S89 PolarHBondContact O-N 3.45Å; F85-S89 PolarHBondContact O-OG 2.94Å; Y86-S89 PolarHBondContact O-N 3.46Å; Y86-S89 PolarHBondContact O-OG 3.45Å; Y86-S89 VanDerWaalsContact O-OG 3.05Å; S89-S93 VanDerWaalsContact O-CB 3.27Å; S89-S93 WeakPolarHBondContact O-CB 3.36Å; S89-S93 PolarHBondContact O-N 3.2Å |
| 90 | L | 70.5 | Confident | 66.7 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 173.3 | -171 | 69.8 | 0 | 0 | 0 | 111.7 | Y86 L88 S93 F94 | Y86-L90 HydrophobicContact CE1-CD2 4.04Å; Y86-L90 WeakPolarHBondContact O-CB 3.3Å; Y86-L90 PolarHBondContact O-N 2.74Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3.46Å; L90-S93 PolarHBondContact O-N 2.94Å; L90-F94 HydrophobicContact CD1-CD2 4.19Å; L90-F94 HydrophobicContact CD1-CE2 3.68Å; L90-F94 HydrophobicContact CD1-CZ 4.39Å; L90-F94 HydrophobicContact CD2-CE2 3.98Å; L90-F94 HydrophobicContact CG-CD2 3.8Å; L90-F94 HydrophobicContact CG-CE2 3.54Å; L90-F94 WeakPolarHBondContact O-CD2 3.48Å; L90-F94 PolarHBondContact O-N 3.38Å |
| 91 | A | 70.5 | Confident | 65.8 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H87 L88 S93 F94 V95 | H87-A91 WeakPolarHBondContact O-CB 3.48Å; H87-A91 PolarHBondContact O-N 3.21Å; L88-A91 PolarHBondContact O-N 3.4Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-F94 PolarHBondContact O-N 2.81Å; A91-V95 WeakPolarHBondContact O-CB 3.28Å; A91-V95 VanDerWaalsContact O-CG2 3.23Å; A91-V95 WeakPolarHBondContact O-CG2 3.45Å; A91-V95 PolarHBondContact O-N 3.19Å |
| 92 | V | 68.4 | Low | 65 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | F63 L88 V95 L96 | F63-V92 HydrophobicContact CD2-CG1 4.07Å; F63-V92 HydrophobicContact CE2-CG1 4.39Å; F63-V92 HydrophobicContact CG-CG1 4.17Å; L88-V92 VanDerWaalsContact O-CG2 3.27Å; L88-V92 WeakPolarHBondContact O-CG2 3.44Å; L88-V92 PolarHBondContact O-N 3.29Å; V92-V95 PolarHBondContact O-N 2.86Å; V92-L96 HydrophobicContact CG1-CD1 3.87Å; V92-L96 HydrophobicContact CG1-CG 4.5Å; V92-L96 WeakPolarHBondContact O-CB 3.22Å; V92-L96 VanDerWaalsContact O-CG 3.22Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.17Å |
| 93 | S | 68.6 | Low | 64 | Low | 9 Ų | 9 | 86.2 Ų | 86.2 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 174.3 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | G60 G64 S89 L90 A91 L96 L97 | G60-S93 PolarHBondContact O-OG 2.87Å; G64-S93 PolarHBondContact N-OG 3.22Å; S89-S93 VanDerWaalsContact O-CB 3.27Å; S89-S93 WeakPolarHBondContact O-CB 3.36Å; S89-S93 PolarHBondContact O-N 3.2Å; L90-S93 PolarHBondContact O-N 2.94Å; A91-S93 VanDerWaalsContact C-N 3.34Å; S93-L96 PolarHBondContact O-N 3.22Å; S93-L97 VanDerWaalsContact O-CB 3.27Å; S93-L97 WeakPolarHBondContact O-CB 3.38Å; S93-L97 WeakPolarHBondContact O-CD1 3.21Å; S93-L97 PolarHBondContact O-N 3.43Å; S93-L97 WeakPolarHBondContact OG-CD1 3.2Å |
| 94 | F | 69.3 | Low | 62.9 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.3 | -81.6 | -57.9 | 0 | 0 | 0 | 113.2 | L90 A91 L96 L97 L98 | L90-F94 HydrophobicContact CD1-CD2 4.19Å; L90-F94 HydrophobicContact CD1-CE2 3.68Å; L90-F94 HydrophobicContact CD1-CZ 4.39Å; L90-F94 HydrophobicContact CD2-CE2 3.98Å; L90-F94 HydrophobicContact CG-CD2 3.8Å; L90-F94 HydrophobicContact CG-CE2 3.54Å; L90-F94 WeakPolarHBondContact O-CD2 3.48Å; L90-F94 PolarHBondContact O-N 3.38Å; A91-F94 PolarHBondContact O-N 2.81Å; F94-L96 VanDerWaalsContact C-N 3.26Å; F94-L96 PolarHBondContact O-N 3.28Å; F94-L97 CarbonylContact O-C 3.55Å; F94-L97 PolarHBondContact O-N 2.7Å; F94-L98 HydrophobicContact CB-CD1 4.23Å; F94-L98 HydrophobicContact CD1-CD1 4.2Å; F94-L98 WeakPolarHBondContact O-CB 3.41Å; F94-L98 WeakPolarHBondContact O-CD1 3.16Å; F94-L98 PolarHBondContact O-N 2.73Å |
| 95 | V | 70.3 | Confident | 61.5 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 66% | 0.661 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63 | -34.8 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | A91 V92 | A91-V95 WeakPolarHBondContact O-CB 3.28Å; A91-V95 VanDerWaalsContact O-CG2 3.23Å; A91-V95 WeakPolarHBondContact O-CG2 3.45Å; A91-V95 PolarHBondContact O-N 3.19Å; V92-V95 PolarHBondContact O-N 2.86Å |
| 96 | L | 64.5 | Low | 60.3 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.246 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -77.6 | -31.8 | 174.9 | -67 | 171.1 | 0 | 0 | 0 | 112.8 | P59 F63 V92 S93 F94 | P59-L96 HydrophobicContact CB-CD1 4.36Å; F63-L96 HydrophobicContact CD2-CD1 3.82Å; F63-L96 HydrophobicContact CE2-CD1 4.26Å; V92-L96 HydrophobicContact CG1-CD1 3.87Å; V92-L96 HydrophobicContact CG1-CG 4.5Å; V92-L96 WeakPolarHBondContact O-CB 3.22Å; V92-L96 VanDerWaalsContact O-CG 3.22Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.17Å; S93-L96 PolarHBondContact O-N 3.22Å; F94-L96 VanDerWaalsContact C-N 3.26Å; F94-L96 PolarHBondContact O-N 3.28Å |
| 97 | L | 61.4 | Low | 58.6 | Low | 45 Ų | 45 | 94.7 Ų | 94.7 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -79.9 | -21.3 | 176.7 | -91 | 143.8 | 0 | 0 | 0 | 113.8 | S93 F94 P99 | S93-L97 VanDerWaalsContact O-CB 3.27Å; S93-L97 WeakPolarHBondContact O-CB 3.38Å; S93-L97 WeakPolarHBondContact O-CD1 3.21Å; S93-L97 PolarHBondContact O-N 3.43Å; S93-L97 WeakPolarHBondContact OG-CD1 3.2Å; F94-L97 CarbonylContact O-C 3.55Å; F94-L97 PolarHBondContact O-N 2.7Å; L97-P99 WeakPolarHBondContact O-CD 3.3Å |
| 98 | L | 60 | Low | 57.4 | Low | 117 Ų | 117 | 94.1 Ų | 94.1 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -93 | 86.3 | 168.5 | -81.9 | 87.2 | 0 | 0 | 0 | 108.6 | F94 K100 | F94-L98 HydrophobicContact CB-CD1 4.23Å; F94-L98 HydrophobicContact CD1-CD1 4.2Å; F94-L98 WeakPolarHBondContact O-CB 3.41Å; F94-L98 WeakPolarHBondContact O-CD1 3.16Å; F94-L98 PolarHBondContact O-N 2.73Å; L98-K100 PolarHBondContact O-N 3.46Å |
| 99 | P | 56.3 | Low | 55.8 | Low | 69 Ų | 69 | 97.1 Ų | 97.1 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | trans | -58.5 | 115 | 164.8 | 25.7 | -32.8 | 0 | 0 | 0 | 107.5 | Y53 L97 K101 | Y53-P99 HydrophobicContact CE2-CB 4.24Å; Y53-P99 HydrophobicContact CE2-CG 3.96Å; L97-P99 WeakPolarHBondContact O-CD 3.3Å; P99-K101 PolarHBondContact O-N 3.46Å | ||
| 100 | K | 46.9 | Very low | 54.6 | Low | 195 Ų | 195 | 103.8 Ų | 103.8 | 85% | 0.848 | 57% | 0.565 | S | S | * | * | trans | -46.5 | 113.3 | 169.2 | -179.9 | 178.1 | 179.2 | 175.9 | 0 | 106.2 | L98 N102 | L98-K100 PolarHBondContact O-N 3.46Å; K100-N102 VanDerWaalsContact C-N 3.25Å; K100-N102 PolarHBondContact O-N 3.01Å | ||
| 101 | K | 45.6 | Very low | 53.2 | Low | 164 Ų | 164 | 104.4 Ų | 104.4 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | trans | -53.3 | 95.3 | 178.9 | -175.9 | 176.6 | 74.5 | 175.9 | 0 | 107.8 | P99 R103 | P99-K101 PolarHBondContact O-N 3.46Å; K101-R103 PolarHBondContact O-N 3.32Å; K101-R103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | N | 47.2 | Very low | 51.9 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | trans | -73 | 109.9 | 175.8 | -176.6 | 11.8 | 0 | 0 | 0 | 105.7 | K100 Y104 A105 | K100-N102 VanDerWaalsContact C-N 3.25Å; K100-N102 PolarHBondContact O-N 3.01Å; N102-Y104 PolarHBondContact ND2-O 3.37Å; N102-Y104 PolarHBondContact O-N 3.36Å; N102-Y104 WeakPolarHBondContact OD1-CA 3.46Å; N102-Y104 VanDerWaalsContact OD1-CB 3.23Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.34Å; N102-Y104 PolarHBondContact OD1-N 3.24Å; N102-A105 PolarHBondContact O-N 3.28Å | ||
| 103 | R | 45.3 | Very low | 50.5 | Low | 217 Ų | 217 | 112.5 Ų | 112.5 | 82% | 0.819 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 3.6 | 168.4 | -70.8 | -141.3 | -174.1 | -170.1 | 3.1 | 112.8 | K101 | K101-R103 PolarHBondContact O-N 3.32Å; K101-R103 VanDerWaalsContact O-N 3.13Å |
| 104 | Y | 44.9 | Very low | 49.6 | Very low | 196 Ų | 196 | 118.3 Ų | 118.3 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 34.6 | 171.7 | -65.7 | -93.1 | 0 | 0 | 0 | 114.1 | N102 G106 | N102-Y104 PolarHBondContact ND2-O 3.37Å; N102-Y104 PolarHBondContact O-N 3.36Å; N102-Y104 WeakPolarHBondContact OD1-CA 3.46Å; N102-Y104 VanDerWaalsContact OD1-CB 3.23Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.34Å; N102-Y104 PolarHBondContact OD1-N 3.24Å; Y104-G106 PolarHBondContact O-N 2.99Å |
| 105 | A | 45.1 | Very low | 48.5 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | trans | -78.6 | 42.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P48 N102 | P48-A105 HydrophobicContact CG-CB 4.06Å; N102-A105 PolarHBondContact O-N 3.28Å | ||
| 106 | G | 43.3 | Very low | 47.2 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | trans | -120.5 | 126.4 | 176 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y104 | Y104-G106 PolarHBondContact O-N 2.99Š| ||
| 107 | S | 36.7 | Very low | 46.4 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 72.9 | 103 | 179.1 | -139.9 | 0 | 0 | 0 | 0 | 115.2 | E109 | S107-E109 PolarHBondContact O-N 3.23Š|
| 108 | G | 49 | Very low | 45.9 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -61.2 | 116 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | E | 41.8 | Very low | 45.3 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -144.7 | 106.2 | 151.9 | -128.3 | 172.1 | 93.1 | 0 | 0 | 108 | S107 | S107-E109 PolarHBondContact O-N 3.23Š| ||
| 110 | N | 40.5 | Very low | 44.6 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | 48.5 | 93.2 | 159.5 | -55.7 | -56.9 | 0 | 0 | 0 | 117.2 | A112 | N110-A112 PolarHBondContact O-N 3.08Š| ||
| 111 | A | 41.7 | Very low | 44.4 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 69% | 0.693 | S | S | . | * | trans | -52.8 | 101.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110 | V52 K113 | V52-A111 HydrophobicContact CG2-CB 4.38Å; A111-K113 PolarHBondContact O-N 3.21Å | ||
| 112 | A | 43.2 | Very low | 44.1 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -58.5 | 107.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.1 | N110 I114 | N110-A112 PolarHBondContact O-N 3.08Å; A112-I114 PolarHBondContact O-N 2.85Å | ||
| 113 | K | 38.3 | Very low | 43.8 | Very low | 190 Ų | 190 | 119.5 Ų | 119.5 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -52.2 | 104.5 | 167.9 | -82.9 | -178 | 172.5 | 178.9 | 0 | 108.2 | A111 T115 | A111-K113 PolarHBondContact O-N 3.21Å; K113-T115 PolarHBondContact O-N 3.4Å; K113-T115 PolarHBondContact O-OG1 3.47Å | ||
| 114 | I | 50.6 | Low | 43.2 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | trans | -75 | 84.9 | 168.9 | -40.3 | 177.7 | 0 | 0 | 0 | 106.2 | A112 | A112-I114 PolarHBondContact O-N 2.85Š| ||
| 115 | T | 45.5 | Very low | 42.8 | Very low | 74 Ų | 74 | 114 Ų | 114 | 45% | 0.454 | 71% | 0.709 | S | S | . | * | trans | -77.7 | 137.5 | 176.7 | -48.5 | 0 | 0 | 0 | 0 | 107.8 | K113 L117 T118 | K113-T115 PolarHBondContact O-N 3.4Å; K113-T115 PolarHBondContact O-OG1 3.47Å; T115-L117 HydrophobicContact CG2-CD1 4.27Å; T115-L117 PolarHBondContact O-N 3.16Å; T115-T118 PolarHBondContact O-N 3.46Å; T115-T118 PolarHBondContact O-OG1 2.91Å | ||
| 116 | C | 44.1 | Very low | 42.3 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -39.8 | -24.1 | 179.3 | -169.2 | 0 | 0 | 0 | 0 | 115.4 | T118 L119 | C116-T118 VanDerWaalsContact C-N 3.29Å; C116-T118 PolarHBondContact O-N 3.41Å; C116-L119 PolarHBondContact O-N 3.33Å |
| 117 | L | 47.6 | Very low | 41.9 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -62.2 | -25.8 | 174.2 | -79.8 | 145.9 | 0 | 0 | 0 | 114.9 | T115 | T115-L117 HydrophobicContact CG2-CD1 4.27Å; T115-L117 PolarHBondContact O-N 3.16Å |
| 118 | T | 50.1 | Low | 41.6 | Very low | 98 Ų | 98 | 117 Ų | 117 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -77.7 | -22.9 | -176.7 | -36.1 | 0 | 0 | 0 | 0 | 112.8 | T115 C116 | T115-T118 PolarHBondContact O-N 3.46Å; T115-T118 PolarHBondContact O-OG1 2.91Å; C116-T118 VanDerWaalsContact C-N 3.29Å; C116-T118 PolarHBondContact O-N 3.41Å |
| 119 | L | 47.4 | Very low | 41.1 | Very low | 150 Ų | 150 | 118.3 Ų | 118.3 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -22.5 | 178.4 | -84.5 | 159.5 | 0 | 0 | 0 | 112.9 | C116 | C116-L119 PolarHBondContact O-N 3.33Š|
| 120 | C | 42.4 | Very low | 40.6 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 64% | 0.635 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -86.3 | -9.7 | -176.6 | -120.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 121 | C | 41.7 | Very low | 40.1 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -87.2 | -2.2 | -178.1 | -70 | 0 | 0 | 0 | 0 | 114.7 | ||
| 122 | C | 40.8 | Very low | 39.6 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -92.2 | -0.9 | 178.2 | -67.3 | 0 | 0 | 0 | 0 | 114 | ||
| 123 | T | 39.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -112.3 | 111.1 | 170 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 124 | M | 33.1 | Very low | 38.3 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | 95.5 | 83.2 | 177.9 | -42.9 | -122.2 | 93.6 | 0 | 0 | 115 | ||||
| 125 | S | 35.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -109.4 | 129.1 | 139.6 | -82.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 126 | P | 35.3 | Very low | 36.8 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | -124.9 | 133.5 | 128.4 | 32 | -21.3 | 0 | 0 | 0 | 111.6 | |||||
| 127 | G | 35.4 | Very low | 36 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 18.9 | 125.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 128 | S | 30 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -164.8 | 106.5 | 131.6 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 129 | S | 37.4 | Very low | 34 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 132.5 | 161.8 | 169.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 130 | K | 32.2 | Very low | 33.2 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -155.2 | 103.9 | 137.5 | -75 | -144.2 | 178.1 | 177.3 | 0 | 111.8 | ||||
| 131 | E | 30.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -53.6 | 133.9 | 152.7 | 175.9 | 174.7 | 135.9 | 0 | 0 | 111.9 | ||||
| 132 | K | 30.8 | Very low | 32.2 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -153.1 | 143.8 | 143.5 | -78.2 | -154 | 179.6 | 178.9 | 0 | 111.4 | ||||
| 133 | T | 26.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 64% | 0.644 | 81% | 0.814 | S | S | * | * | trans | -109.5 | 161.8 | -161.2 | -89.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 134 | N | 27.7 | Very low | 31.6 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 81.7 | 136.2 | 159.3 | -90.1 | -45 | 0 | 0 | 0 | 117.6 | ||||
| 135 | K | 29.9 | Very low | 31.7 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | cis | -163.2 | 179.8 | 27.5 | -111.9 | -164.9 | -172.3 | 178.7 | 0 | 111.6 | ||||
| 136 | P | 34 | Very low | 31.3 | Very low | 109 Ų | 109 | 156.6 Ų | 156.6 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -113.6 | -176.7 | -145.4 | 43.8 | -37.6 | 0 | 0 | 0 | 118 | ||||
| 137 | Q | 27.1 | Very low | 31.2 | Very low | 180 Ų | 180 | 161.9 Ų | 161.9 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | 95.1 | 115.5 | 157.3 | -69.9 | -165.3 | -13.1 | 0 | 0 | 119.9 | ||||
| 138 | K | 28.5 | Very low | 31.1 | Very low | 207 Ų | 207 | 165.7 Ų | 165.7 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | -163.3 | 125.1 | 104.4 | -105.7 | -179.2 | -178.4 | 176.3 | 0 | 111.8 | |||||
| 139 | K | 27.8 | Very low | 31.3 | Very low | 213 Ų | 213 | 166.6 Ų | 166.6 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -60.2 | 134 | 168.1 | -79.7 | 175.2 | 171.5 | 176.1 | 0 | 110.3 | ||||
| 140 | K | 31.5 | Very low | 31.1 | Very low | 216 Ų | 216 | 167.7 Ų | 167.7 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | -136.5 | 133.9 | 139.5 | -91.6 | -171.4 | -179.8 | 179 | 0 | 109.9 | ||||
| 141 | S | 30.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 166.4 Ų | 166.4 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -73.7 | 134.4 | -173.6 | 168.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | S | 31.4 | Very low | 31.6 | Very low | 126 Ų | 126 | 167.7 Ų | 167.7 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | trans | -163.5 | 135 | 132.7 | -104.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 143 | R | 35.5 | Very low | 31.4 | Very low | 231 Ų | 231 | 165.6 Ų | 165.6 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -112.6 | 129.7 | -160.8 | -172.6 | -171.2 | -153.6 | -175.3 | 6.3 | 109.6 | ||||
| 144 | S | 32.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 171.9 Ų | 171.9 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | 170 | 103.3 | 137.2 | 39.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 145 | V | 35 | Very low | 32.4 | Very low | 106 Ų | 106 | 171.2 Ų | 171.2 | 64% | 0.642 | 84% | 0.839 | S | S | * | * | 70.4 | 101.9 | 91 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 146 | W | 29 | Very low | 32.5 | Very low | 252 Ų | 252 | 173.6 Ų | 173.6 | 96% | 0.955 | 84% | 0.843 | S | S | * | * | -147.8 | 119.2 | 125.3 | -80.9 | 105.6 | 0 | 0 | 0 | 109.2 | |||||
| 147 | R | 32.8 | Very low | 32.3 | Very low | 233 Ų | 233 | 172 Ų | 172 | 88% | 0.879 | 85% | 0.847 | S | S | * | * | trans | -77.4 | 144.5 | 174.2 | -87 | -169.3 | -87.4 | -159.9 | -4.8 | 109.7 | ||||
| 148 | L | 33.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 169.6 Ų | 169.6 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | trans | -53.3 | 134.6 | 161.8 | -70.7 | 147.7 | 0 | 0 | 0 | 110.3 | T150 | L148-T150 PolarHBondContact O-N 3.08Š| ||
| 149 | P | 32.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 163 Ų | 163 | 88% | 0.877 | 84% | 0.841 | S | S | * | * | trans | -83.8 | 105.3 | 168.4 | 3.7 | 14.5 | 0 | 0 | 0 | 108.7 | ||||
| 150 | T | 33.9 | Very low | 33.4 | Very low | 131 Ų | 131 | 159.7 Ų | 159.7 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -102.7 | 132 | 158.2 | -43.8 | 0 | 0 | 0 | 0 | 107.4 | L148 | L148-T150 PolarHBondContact O-N 3.08Š| ||
| 151 | E | 37.7 | Very low | 33.8 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -45.1 | 144 | -179.1 | -56.4 | -163.9 | 107.6 | 0 | 0 | 114.5 | ||||
| 152 | K | 35.4 | Very low | 33.9 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | 169 | 153.6 | 113.4 | -90.1 | 178.6 | -173.2 | -169.5 | 0 | 112.9 | |||||
| 153 | L | 27.5 | Very low | 34.5 | Very low | 164 Ų | 164 | 156.9 Ų | 156.9 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | 84.7 | 110.5 | 150.2 | -126.1 | 73.2 | 0 | 0 | 0 | 118.7 | ||||
| 154 | W | 35.7 | Very low | 34.6 | Very low | 237 Ų | 237 | 151.7 Ų | 151.7 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -58.4 | 157.2 | 163 | -75.9 | 47.3 | 0 | 0 | 0 | 111.9 | ||||
| 155 | P | 39.8 | Very low | 34.9 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | -139.8 | 141.3 | 103.4 | 33.7 | -18.2 | 0 | 0 | 0 | 115.6 | |||||
| 156 | R | 31 | Very low | 34.9 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | 6.8 | 116.4 | 147.8 | -153 | 175.7 | -145.3 | -141.9 | 2.9 | 118.5 | ||||
| 157 | G | 29.8 | Very low | 35.8 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -141.7 | 123 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 158 | S | 35 | Very low | 36.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -66 | 132.4 | -176.3 | 48 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 159 | G | 33 | Very low | 37.5 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 173.8 | 98.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 160 | T | 39.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -56.6 | 137.7 | 169.9 | 1.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 161 | P | 38.5 | Very low | 38.9 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | -140.9 | 131.6 | 103.2 | 29.1 | -11.1 | 0 | 0 | 0 | 113.6 | |||||
| 162 | T | 34.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 34.7 | 103.2 | 143.8 | -36 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 163 | L | 42.3 | Very low | 39.9 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.5 | 164.9 | -66.8 | 168.7 | 0 | 0 | 0 | 111.7 | ||
| 164 | P | 37.9 | Very low | 40.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.4 | 147 | -4.2 | 22.4 | 0 | 0 | 0 | 108.5 | C166 | P164-C166 PolarHBondContact O-N 3.23Š|
| 165 | V | 39.1 | Very low | 41 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.8 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | A167 | V165-A167 PolarHBondContact O-N 3.17Š|
| 166 | C | 34.1 | Very low | 41 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -63.6 | 112.7 | 162.2 | -82.1 | 0 | 0 | 0 | 0 | 108.4 | P164 | P164-C166 PolarHBondContact O-N 3.23Š| ||
| 167 | A | 48.2 | Very low | 41.9 | Very low | 91 Ų | 91 | 121 Ų | 121 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 131.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V165 | V165-A167 PolarHBondContact O-N 3.17Š|
| 168 | P | 53 | Low | 42.6 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 155.8 | 170 | 28.2 | -31.7 | 0 | 0 | 0 | 111.2 | ||
| 169 | P | 49.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.2 | -176.9 | 27.5 | -34.4 | 0 | 0 | 0 | 111.7 | S171 | P169-S171 PolarHBondContact O-N 3.14Š|
| 170 | P | 45.6 | Very low | 44.3 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.2 | 177.9 | 26.4 | -31.5 | 0 | 0 | 0 | 111.4 | ||
| 171 | S | 48.9 | Very low | 44.7 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 148.8 | 168.3 | 50.4 | 0 | 0 | 0 | 0 | 112 | P169 | P169-S171 PolarHBondContact O-N 3.14Š|
| 172 | P | 51.9 | Low | 45 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 130.6 | 177.9 | 30.7 | -32.1 | 0 | 0 | 0 | 111.5 | ||
| 173 | P | 43.2 | Very low | 45.8 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -94.4 | 111.6 | 169.2 | 28.7 | -19.5 | 0 | 0 | 0 | 111.7 | ||||
| 174 | V | 41.7 | Very low | 46.2 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | 41.1 | 117.7 | 128.8 | -171.1 | 0 | 0 | 0 | 0 | 118.9 | G176 | V174-G176 PolarHBondContact O-N 2.9Š| |||
| 175 | K | 44.8 | Very low | 47.1 | Very low | 214 Ų | 214 | 129.7 Ų | 129.7 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -42.2 | 114.9 | 159.9 | -163.1 | 170.5 | -171.4 | 178.2 | 0 | 112 | ||||
| 176 | G | 38.9 | Very low | 47.8 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | -158.7 | 121 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V174 S178 | V174-G176 PolarHBondContact O-N 2.9Å; G176-S178 PolarHBondContact O-N 3.29Å | ||
| 177 | T | 51.6 | Low | 48.8 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -63.8 | 116.4 | -173.9 | -37.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 178 | S | 42.6 | Very low | 48.7 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -154.6 | 61.1 | 165.3 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | G176 S180 | G176-S178 PolarHBondContact O-N 3.29Å; S178-S180 PolarHBondContact O-N 2.89Å | ||
| 179 | V | 52.2 | Low | 48.3 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -5 | 172.3 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 180 | S | 52 | Low | 48.3 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -5.5 | -174.5 | 43 | 0 | 0 | 0 | 0 | 116 | S178 | S178-S180 PolarHBondContact O-N 2.89Š|
| 181 | K | 47.9 | Very low | 48.4 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -101.6 | -7.3 | 179.2 | -94.9 | -154.2 | 172.8 | -174.1 | 0 | 116.4 | ||
| 182 | L | 45.6 | Very low | 48.4 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -88.4 | -11.9 | 174.3 | -106 | 157.9 | 0 | 0 | 0 | 113.3 | ||
| 183 | K | 50.1 | Low | 48.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -83.3 | -16.2 | -179.5 | -162.3 | 171.4 | -178.8 | -174.3 | 0 | 113.9 | ||
| 184 | E | 51.8 | Low | 48.5 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -91.4 | -7.6 | 177.5 | -72 | -151.7 | 112.6 | 0 | 0 | 114.5 | ||
| 185 | L | 55.3 | Low | 48.9 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -98.2 | -8.3 | -175.6 | -73.8 | 167.3 | 0 | 0 | 0 | 114.6 | ||
| 186 | N | 54.4 | Low | 49.2 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -110.7 | 69.7 | 178.1 | -71 | -17.1 | 0 | 0 | 0 | 110.4 | W188 | N186-W188 VanDerWaalsContact C-N 3.27Å; N186-W188 PolarHBondContact O-N 3.3Å |
| 187 | G | 55.7 | Low | 50 | Low | 80 Ų | 80 | 153.5 Ų | 153.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -54.9 | 84.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 188 | W | 46 | Very low | 49.9 | Very low | 246 Ų | 246 | 154.2 Ų | 154.2 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -111 | 109.5 | 165.2 | -81.6 | 27.6 | 0 | 0 | 0 | 106.5 | N186 | N186-W188 VanDerWaalsContact C-N 3.27Å; N186-W188 PolarHBondContact O-N 3.3Å | ||
| 189 | K | 44.8 | Very low | 50.5 | Low | 284 Ų | 284 | 160.4 Ų | 160.4 | 100% | 1.235 | 81% | 0.811 | S | S | * | * | trans | -82.7 | 0 | 162.8 | -111.9 | -167.5 | -179 | -158.9 | 0 | 109 |
Retrieved 189 of 189 residues in 222.4 ms
(Link to these results)