| 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 | 48.2 | Very low | 56.7 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 98% | 0.975 | 60% | 0.595 | S | S | * | * | 0 | -40.9 | 0 | -77.8 | -158.3 | -75.9 | 0 | 0 | 112.7 | F3 I4 Q5 | M1-F3 PolarHBondContact O-N 3.17Å; M1-I4 PolarHBondContact O-N 3.44Å; M1-Q5 PolarHBondContact O-N 3.25Å | |||
| 2 | E | 54.4 | Low | 57.4 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.4 | -34.9 | 179.9 | -66.6 | -162.4 | 145 | 0 | 0 | 115.7 | Q5 K6 | E2-Q5 PolarHBondContact O-N 2.88Å; E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.46Å |
| 3 | F | 57.4 | Low | 57.9 | Low | 158 Ų | 158 | 125.5 Ų | 125.5 | 69% | 0.693 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -42.1 | 176.3 | -178 | -108 | 0 | 0 | 0 | 112.2 | M1 Q5 K6 L7 | M1-F3 PolarHBondContact O-N 3.17Å; F3-Q5 VanDerWaalsContact C-N 3.32Å; F3-K6 PolarHBondContact O-N 2.88Å; F3-L7 HydrophobicContact CD1-CD1 3.6Å; F3-L7 HydrophobicContact CE1-CD1 3.27Å; F3-L7 HydrophobicContact CE1-CG 4.43Å; F3-L7 HydrophobicContact CE2-CD1 4.42Å; F3-L7 HydrophobicContact CG-CD1 4.32Å; F3-L7 HydrophobicContact CZ-CD1 3.73Å; F3-L7 WeakPolarHBondContact O-CB 3.32Å; F3-L7 PolarHBondContact O-N 3.28Å |
| 4 | I | 57.8 | Low | 58.8 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 54% | 0.538 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67 | -38.5 | 175.6 | -61.5 | 177.7 | 0 | 0 | 0 | 109.8 | M1 L7 L8 | M1-I4 PolarHBondContact O-N 3.44Å; I4-L7 PolarHBondContact O-N 3.41Å; I4-L8 HydrophobicContact CG2-CD1 3.87Å; I4-L8 HydrophobicContact CG2-CG 4.4Å; I4-L8 WeakPolarHBondContact O-CB 3.31Å; I4-L8 VanDerWaalsContact O-CG 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 3.48Å |
| 5 | Q | 54.2 | Low | 59.4 | Low | 134 Ų | 134 | 120.5 Ų | 120.5 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -36.6 | 178.5 | -154.8 | 164.1 | -9.7 | 0 | 0 | 112.2 | M1 E2 F3 L8 S9 | M1-Q5 PolarHBondContact O-N 3.25Å; E2-Q5 PolarHBondContact O-N 2.88Å; F3-Q5 VanDerWaalsContact C-N 3.32Å; Q5-L8 PolarHBondContact O-N 3.44Å; Q5-S9 WeakPolarHBondContact O-CB 3.4Å; Q5-S9 PolarHBondContact O-N 2.04Å; Q5-S9 PolarHBondContact O-OG 2.03Å |
| 6 | K | 56.2 | Low | 60 | Low | 155 Ų | 155 | 114.8 Ų | 114.8 | 67% | 0.674 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -41.9 | 169.9 | -89.1 | -179 | 173.9 | 175.1 | 0 | 112.7 | E2 F3 L8 S9 G10 | E2-K6 WeakPolarHBondContact O-CB 3.46Å; E2-K6 PolarHBondContact O-N 3.46Å; F3-K6 PolarHBondContact O-N 2.88Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.34Å; K6-S9 WeakPolarHBondContact CA-OG 3.31Å; K6-S9 PolarHBondContact O-N 3.11Å; K6-S9 PolarHBondContact O-OG 3.21Å; K6-G10 PolarHBondContact O-N 2.9Å; K6-G10 VanDerWaalsContact O-N 3.14Å |
| 7 | L | 57.3 | Low | 60.4 | Low | 71 Ų | 71 | 108.4 Ų | 108.4 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 172.4 | -91.9 | 154.7 | 0 | 0 | 0 | 111.6 | F3 I4 F11 Y124 | F3-L7 HydrophobicContact CD1-CD1 3.6Å; F3-L7 HydrophobicContact CE1-CD1 3.27Å; F3-L7 HydrophobicContact CE1-CG 4.43Å; F3-L7 HydrophobicContact CE2-CD1 4.42Å; F3-L7 HydrophobicContact CG-CD1 4.32Å; F3-L7 HydrophobicContact CZ-CD1 3.73Å; F3-L7 WeakPolarHBondContact O-CB 3.32Å; F3-L7 PolarHBondContact O-N 3.28Å; I4-L7 PolarHBondContact O-N 3.41Å; L7-F11 WeakPolarHBondContact O-CB 3.13Å; L7-F11 PolarHBondContact O-N 2.89Å; L7-Y124 VanDerWaalsContact C-OH 3.25Å; L7-Y124 WeakPolarHBondContact CA-OH 3.48Å; L7-Y124 HydrophobicContact CD2-CE2 4.17Å; L7-Y124 WeakPolarHBondContact CD2-OH 3.5Å; L7-Y124 PolarHBondContact O-OH 3.41Å |
| 8 | L | 57.2 | Low | 60.8 | Low | 127 Ų | 127 | 105.2 Ų | 105.2 | 67% | 0.665 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78 | -29.8 | 178.1 | -70.5 | 169.1 | 0 | 0 | 0 | 112.4 | I4 Q5 K6 | I4-L8 HydrophobicContact CG2-CD1 3.87Å; I4-L8 HydrophobicContact CG2-CG 4.4Å; I4-L8 WeakPolarHBondContact O-CB 3.31Å; I4-L8 VanDerWaalsContact O-CG 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 3.48Å; Q5-L8 PolarHBondContact O-N 3.44Å; K6-L8 VanDerWaalsContact C-N 3.31Å; K6-L8 PolarHBondContact O-N 3.34Å |
| 9 | S | 58.4 | Low | 61.4 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 67% | 0.671 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.8 | -25 | 178.1 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | Q5 K6 | Q5-S9 WeakPolarHBondContact O-CB 3.4Å; Q5-S9 PolarHBondContact O-N 2.04Å; Q5-S9 PolarHBondContact O-OG 2.03Å; K6-S9 WeakPolarHBondContact CA-OG 3.31Å; K6-S9 PolarHBondContact O-N 3.11Å; K6-S9 PolarHBondContact O-OG 3.21Å |
| 10 | G | 59.2 | Low | 62.3 | Low | 23 Ų | 23 | 107.6 Ų | 107.6 | 24% | 0.237 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -96 | -13.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K6 R12 | K6-G10 PolarHBondContact O-N 2.9Å; K6-G10 VanDerWaalsContact O-N 3.14Å; G10-R12 PolarHBondContact O-N 3.02Å |
| 11 | F | 63.7 | Low | 63 | Low | 86 Ų | 86 | 105.7 Ų | 105.7 | 38% | 0.377 | 53% | 0.526 | S | S | . | . | trans | -74.3 | 105.8 | 180 | -174.5 | -104.7 | 0 | 0 | 0 | 110.6 | L7 L13 G123 Y124 | L7-F11 WeakPolarHBondContact O-CB 3.13Å; L7-F11 PolarHBondContact O-N 2.89Å; F11-L13 HydrophobicContact CE1-CB 3.78Å; F11-L13 HydrophobicContact CE1-CD1 3.92Å; F11-L13 HydrophobicContact CE1-CG 4.31Å; F11-L13 HydrophobicContact CZ-CB 4.03Å; F11-L13 HydrophobicContact CZ-CD1 3.86Å; F11-L13 HydrophobicContact CZ-CG 4.19Å; F11-G123 VanDerWaalsContact CE2-CA 3.43Å; F11-Y124 HydrophobicContact CD2-CE2 4.29Å | ||
| 12 | R | 65.3 | Low | 64.5 | Low | 216 Ų | 216 | 97 Ų | 97 | 82% | 0.815 | 48% | 0.484 | S | S | * | . | trans | -113.7 | 105.7 | 167.9 | -73.7 | -170.9 | 164.7 | -162.7 | -3.8 | 108.2 | G10 D14 G123 | G10-R12 PolarHBondContact O-N 3.02Å; R12-D14 PolarHBondContact O-N 3.2Å; R12-G123 PolarHBondContact N-O 3.22Å | ||
| 13 | L | 63.8 | Low | 65.8 | Low | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | trans | -69.2 | 102.3 | -179.5 | -166.1 | 150.5 | 0 | 0 | 0 | 109.4 | F11 L15 L122 | F11-L13 HydrophobicContact CE1-CB 3.78Å; F11-L13 HydrophobicContact CE1-CD1 3.92Å; F11-L13 HydrophobicContact CE1-CG 4.31Å; F11-L13 HydrophobicContact CZ-CB 4.03Å; F11-L13 HydrophobicContact CZ-CD1 3.86Å; F11-L13 HydrophobicContact CZ-CG 4.19Å; L13-L15 HydrophobicContact CD2-CD1 4.25Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CD2-CG 3.66Å; L13-L122 WeakPolarHBondContact CA-O 3.49Å | ||
| 14 | D | 69.6 | Low | 67.3 | Low | 82 Ų | 82 | 87.8 Ų | 87.8 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | trans | -108.6 | 118.3 | 170.5 | -167.5 | -7.1 | 0 | 0 | 0 | 109 | R12 G16 P17 L122 | R12-D14 PolarHBondContact O-N 3.2Å; D14-G16 VanDerWaalsContact C-N 3.29Å; D14-G16 PolarHBondContact OD1-N 3.29Å; D14-P17 WeakPolarHBondContact O-CD 2.86Å; D14-L122 PolarHBondContact N-O 2.87Å; D14-L122 VanDerWaalsContact O-CD2 3.22Å; D14-L122 WeakPolarHBondContact O-CD2 3.38Å | ||
| 15 | L | 68.6 | Low | 68.8 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | trans | -85.9 | -3.5 | 176.4 | -62.6 | 171.1 | 0 | 0 | 0 | 112.1 | L13 L18 L122 | L13-L15 HydrophobicContact CD2-CD1 4.25Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CD2-CG 3.66Å; L15-L18 HydrophobicContact CD2-CD1 3.62Å; L15-L18 WeakPolarHBondContact O-CB 3.23Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-L18 VanDerWaalsContact O-N 3.1Å; L15-L122 HydrophobicContact CD2-CD2 4.14Å | ||
| 16 | G | 68.3 | Low | 70.6 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -48.7 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D14 L18 K19 | D14-G16 VanDerWaalsContact C-N 3.29Å; D14-G16 PolarHBondContact OD1-N 3.29Å; G16-L18 PolarHBondContact O-N 3.14Å; G16-K19 WeakPolarHBondContact O-CB 3.3Å; G16-K19 PolarHBondContact O-N 3.45Å |
| 17 | P | 67.6 | Low | 72.3 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 5% | 0.045 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -22.1 | 178.3 | -26.6 | 36.9 | 0 | 0 | 0 | 115.4 | D14 K19 E20 G23 | D14-P17 WeakPolarHBondContact O-CD 2.86Å; P17-K19 VanDerWaalsContact C-N 3.26Å; P17-K19 PolarHBondContact O-N 3.15Å; P17-E20 WeakPolarHBondContact O-CB 3.22Å; P17-E20 PolarHBondContact O-N 2.94Å; P17-G23 WeakPolarHBondContact O-CA 3.03Å; P17-G23 PolarHBondContact O-N 3.13Å |
| 18 | L | 67.9 | Low | 74 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.2 | -20.2 | 174.8 | -65.9 | 177.2 | 0 | 0 | 0 | 113 | L15 G16 E20 V27 L118 L122 | L15-L18 HydrophobicContact CD2-CD1 3.62Å; L15-L18 WeakPolarHBondContact O-CB 3.23Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-L18 VanDerWaalsContact O-N 3.1Å; G16-L18 PolarHBondContact O-N 3.14Å; L18-E20 VanDerWaalsContact C-N 3.33Å; L18-V27 HydrophobicContact CD2-CG2 3.7Å; L18-L118 HydrophobicContact CD2-CD2 4.2Å; L18-L122 HydrophobicContact CD1-CD2 3.87Å; L18-L122 HydrophobicContact CD2-CD2 4.17Å; L18-L122 HydrophobicContact CG-CD2 3.7Å |
| 19 | K | 70.9 | Confident | 75.7 | Confident | 188 Ų | 188 | 65.4 Ų | 65.4 | 82% | 0.817 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83.6 | -16.3 | 173 | -61.1 | 179.7 | -179.5 | 176 | 0 | 111.6 | G16 P17 | G16-K19 WeakPolarHBondContact O-CB 3.3Å; G16-K19 PolarHBondContact O-N 3.45Å; P17-K19 VanDerWaalsContact C-N 3.26Å; P17-K19 PolarHBondContact O-N 3.15Å |
| 20 | E | 79.4 | Confident | 77.4 | Confident | 69 Ų | 69 | 65 Ų | 65 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -78.1 | 147 | 171.5 | -63 | -179.3 | 176.6 | 0 | 0 | 109.9 | P17 L18 L22 G23 F24 R129 | P17-E20 WeakPolarHBondContact O-CB 3.22Å; P17-E20 PolarHBondContact O-N 2.94Å; L18-E20 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.31Å; E20-L22 VanDerWaalsContact O-N 3.11Å; E20-G23 PolarHBondContact O-N 2.6Å; E20-F24 PolarHBondContact O-N 2.98Å; E20-F24 VanDerWaalsContact O-N 3.12Å; E20-R129 IonicContact OE1-NH2 2.66Å |
| 21 | P | 77.6 | Confident | 79.2 | Confident | 68 Ų | 68 | 66 Ų | 66 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.8 | -30.6 | -178.5 | 22.2 | -33 | 0 | 0 | 0 | 112.5 | I25 F210 | P21-I25 WeakPolarHBondContact O-CB 3.4Å; P21-I25 WeakPolarHBondContact O-CD1 3.38Å; P21-I25 WeakPolarHBondContact O-CG1 3.03Å; P21-I25 PolarHBondContact O-N 3.3Å; P21-F210 HydrophobicContact CB-CD1 4.02Å; P21-F210 HydrophobicContact CB-CE1 3.82Å; P21-F210 HydrophobicContact CB-CZ 4.19Å; P21-F210 HydrophobicContact CG-CD1 3.91Å; P21-F210 HydrophobicContact CG-CE1 3.91Å |
| 22 | L | 79.4 | Confident | 80.6 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 178.9 | -175.8 | 71.6 | 0 | 0 | 0 | 112.7 | E20 R26 Y121 Y128 N207 F210 I211 | E20-L22 PolarHBondContact O-N 3.31Å; E20-L22 VanDerWaalsContact O-N 3.11Å; L22-R26 PolarHBondContact O-N 3.13Å; L22-Y121 HydrophobicContact CD2-CE2 4.09Å; L22-Y121 HydrophobicContact CG-CE2 3.95Å; L22-Y128 HydrophobicContact CD2-CE1 4.44Å; L22-N207 WeakPolarHBondContact CD1-OD1 3.14Å; L22-F210 HydrophobicContact CD1-CB 4.22Å; L22-I211 HydrophobicContact CD1-CB 4.33Å; L22-I211 HydrophobicContact CD1-CD1 4.48Å; L22-I211 HydrophobicContact CD1-CG1 3.38Å |
| 23 | G | 82.8 | Confident | 82 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.3 | -37.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P17 E20 R26 V27 | P17-G23 WeakPolarHBondContact O-CA 3.03Å; P17-G23 PolarHBondContact O-N 3.13Å; E20-G23 PolarHBondContact O-N 2.6Å; G23-R26 PolarHBondContact O-N 3.12Å; G23-V27 PolarHBondContact O-N 3.06Å; G23-V27 VanDerWaalsContact O-N 3.12Å |
| 24 | F | 87.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 178.1 | -179.4 | -106.7 | 0 | 0 | 0 | 112.5 | E20 R26 V27 L28 | E20-F24 PolarHBondContact O-N 2.98Å; E20-F24 VanDerWaalsContact O-N 3.12Å; F24-R26 VanDerWaalsContact C-N 3.29Å; F24-R26 PolarHBondContact O-N 3.15Å; F24-V27 PolarHBondContact O-N 3.01Å; F24-L28 HydrophobicContact CD1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD1 3.54Å; F24-L28 HydrophobicContact CE1-CG 4.21Å; F24-L28 HydrophobicContact CZ-CD1 3.94Å; F24-L28 HydrophobicContact CZ-CD2 4.38Å; F24-L28 HydrophobicContact CZ-CG 4.25Å; F24-L28 PolarHBondContact O-N 3.46Å; F24-L28 VanDerWaalsContact O-N 3.14Å |
| 25 | I | 89.8 | Confident | 84.6 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.8 | -67.2 | 167.1 | 0 | 0 | 0 | 110.5 | P21 V27 L28 E29 L203 N207 F210 | P21-I25 WeakPolarHBondContact O-CB 3.4Å; P21-I25 WeakPolarHBondContact O-CD1 3.38Å; P21-I25 WeakPolarHBondContact O-CG1 3.03Å; P21-I25 PolarHBondContact O-N 3.3Å; I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.45Å; I25-L28 WeakPolarHBondContact O-CB 3.49Å; I25-L28 PolarHBondContact O-N 3.18Å; I25-L28 VanDerWaalsContact O-N 3.08Å; I25-E29 HydrophobicContact CG2-CG 4.32Å; I25-E29 WeakPolarHBondContact O-CG 3.27Å; I25-E29 PolarHBondContact O-N 3.35Å; I25-L203 HydrophobicContact CG2-CB 4.4Å; I25-L203 HydrophobicContact CG2-CD2 4.34Å; I25-N207 HydrophobicContact CG2-CB 3.72Å; I25-F210 HydrophobicContact CD1-CD2 3.46Å; I25-F210 VanDerWaalsContact CD1-CD2 3.46Å; I25-F210 HydrophobicContact CD1-CE2 3.42Å; I25-F210 VanDerWaalsContact CD1-CE2 3.42Å; I25-F210 HydrophobicContact CD1-CG 4.43Å; I25-F210 HydrophobicContact CD1-CZ 4.36Å |
| 26 | R | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 177.5 | -164.7 | 68 | 78.6 | -162.8 | 11.3 | 112.6 | L22 G23 F24 E29 W30 T117 L118 Y121 D137 T141 N207 | L22-R26 PolarHBondContact O-N 3.13Å; G23-R26 PolarHBondContact O-N 3.12Å; F24-R26 VanDerWaalsContact C-N 3.29Å; F24-R26 PolarHBondContact O-N 3.15Å; R26-E29 VanDerWaalsContact CD-OE2 3.25Å; R26-E29 WeakPolarHBondContact CD-OE2 3.04Å; R26-E29 IonicContact CZ-OE2 3.75Å; R26-E29 IonicContact NE-OE2 3.3Å; R26-E29 IonicContact NH1-OE1 2.98Å; R26-E29 IonicContact NH1-OE2 3.98Å; R26-E29 PolarHBondContact NH1-OE2 3.07Å; R26-W30 WeakPolarHBondContact O-CB 3.3Å; R26-W30 PolarHBondContact O-N 2.87Å; R26-W30 VanDerWaalsContact O-N 3.08Å; R26-T117 WeakPolarHBondContact CD-OG1 3.14Å; R26-L118 HydrophobicContact CB-CD2 4.26Å; R26-L118 HydrophobicContact CG-CD2 4.14Å; R26-L118 HydrophobicContact CG-CG 4.09Å; R26-Y121 HydrophobicContact CG-CE2 4.46Å; R26-D137 IonicContact CZ-OD1 3.81Å; R26-D137 IonicContact NH2-OD1 2.76Å; R26-D137 PolarHBondContact NH2-OD1 2.99Å; R26-D137 IonicContact NH2-OD2 3.65Å; R26-D137 PolarHBondContact NH2-OD2 2.91Å; R26-T141 PolarHBondContact NH1-OG1 2.91Å; R26-T141 PolarHBondContact NH2-OG1 3.28Å; R26-N207 VanDerWaalsContact CZ-ND2 3.26Å; R26-N207 PolarHBondContact NH1-ND2 2.82Å; R26-N207 VanDerWaalsContact NH1-ND2 3.1Å |
| 27 | V | 91.8 | Very high | 86.9 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 172.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | L18 G23 F24 I25 W30 V31 L118 | L18-V27 HydrophobicContact CD2-CG2 3.7Å; G23-V27 PolarHBondContact O-N 3.06Å; G23-V27 VanDerWaalsContact O-N 3.12Å; F24-V27 PolarHBondContact O-N 3.01Å; I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.45Å; V27-W30 WeakPolarHBondContact O-CB 3.27Å; V27-W30 PolarHBondContact O-N 2.92Å; V27-V31 WeakPolarHBondContact O-CG2 3.48Å; V27-V31 PolarHBondContact O-N 3.43Å; V27-L118 HydrophobicContact CG2-CD1 4.33Å; V27-L118 HydrophobicContact CG2-CD2 3.69Å |
| 28 | L | 93.3 | Very high | 88.1 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.4 | -67.1 | -179.9 | 0 | 0 | 0 | 111.9 | F24 I25 W30 V31 F32 L203 | F24-L28 HydrophobicContact CD1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD1 3.54Å; F24-L28 HydrophobicContact CE1-CG 4.21Å; F24-L28 HydrophobicContact CZ-CD1 3.94Å; F24-L28 HydrophobicContact CZ-CD2 4.38Å; F24-L28 HydrophobicContact CZ-CG 4.25Å; F24-L28 PolarHBondContact O-N 3.46Å; F24-L28 VanDerWaalsContact O-N 3.14Å; I25-L28 WeakPolarHBondContact O-CB 3.49Å; I25-L28 PolarHBondContact O-N 3.18Å; I25-L28 VanDerWaalsContact O-N 3.08Å; L28-W30 VanDerWaalsContact C-N 3.28Å; L28-W30 PolarHBondContact O-N 2.81Å; L28-V31 PolarHBondContact O-N 2.9Å; L28-F32 WeakPolarHBondContact O-CB 3.23Å; L28-F32 PolarHBondContact O-N 3.41Å; L28-L203 HydrophobicContact CB-CD1 3.87Å; L28-L203 HydrophobicContact CB-CD2 4.33Å; L28-L203 HydrophobicContact CD1-CD2 4.32Å |
| 29 | E | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 173.2 | -70.7 | 170.5 | -179.2 | 0 | 0 | 110.8 | I25 R26 V31 T33 N200 L203 W204 N207 | I25-E29 HydrophobicContact CG2-CG 4.32Å; I25-E29 WeakPolarHBondContact O-CG 3.27Å; I25-E29 PolarHBondContact O-N 3.35Å; R26-E29 VanDerWaalsContact CD-OE2 3.25Å; R26-E29 WeakPolarHBondContact CD-OE2 3.04Å; R26-E29 IonicContact CZ-OE2 3.75Å; R26-E29 IonicContact NE-OE2 3.3Å; R26-E29 IonicContact NH1-OE1 2.98Å; R26-E29 IonicContact NH1-OE2 3.98Å; R26-E29 PolarHBondContact NH1-OE2 3.07Å; E29-V31 PolarHBondContact O-N 2.87Å; E29-T33 WeakPolarHBondContact O-CB 3Å; E29-T33 PolarHBondContact O-N 3.41Å; E29-T33 PolarHBondContact O-OG1 2.79Å; E29-N200 PolarHBondContact O-OD1 2.98Å; E29-L203 HydrophobicContact CG-CB 3.69Å; E29-L203 HydrophobicContact CG-CD1 4.34Å; E29-W204 HydrophobicContact CG-CG 4.28Å; E29-W204 WeakPolarHBondContact OE1-CA 3.42Å; E29-N207 WeakPolarHBondContact OE1-CB 3.31Å; E29-N207 PolarHBondContact OE1-ND2 3.22Å; E29-N207 PolarHBondContact OE2-ND2 2.83Å |
| 30 | W | 94.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 40.5 Ų | 40.5 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 177.9 | -177.6 | 72.3 | 0 | 0 | 0 | 112.1 | R26 V27 L28 I34 F111 C114 T115 L118 | R26-W30 WeakPolarHBondContact O-CB 3.3Å; R26-W30 PolarHBondContact O-N 2.87Å; R26-W30 VanDerWaalsContact O-N 3.08Å; V27-W30 WeakPolarHBondContact O-CB 3.27Å; V27-W30 PolarHBondContact O-N 2.92Å; L28-W30 VanDerWaalsContact C-N 3.28Å; L28-W30 PolarHBondContact O-N 2.81Å; W30-I34 HydrophobicContact CD2-CD1 4.21Å; W30-I34 HydrophobicContact CE3-CD1 4.47Å; W30-I34 HydrophobicContact CH2-CD1 4.34Å; W30-I34 HydrophobicContact CZ2-CD1 4.08Å; W30-I34 WeakPolarHBondContact O-CG1 3.39Å; W30-I34 PolarHBondContact O-N 3.45Å; W30-F111 AromaticContact CD1-CD2 3.61Å; W30-F111 AromaticContact CD1-CE2 3.86Å; W30-F111 AromaticContact CE2-CE2 3.67Å; W30-F111 AromaticContact CZ2-CE2 3.99Å; W30-F111 HydrophobicContact CZ2-CE2 3.99Å; W30-F111 AromaticContact NE1-CD2 3.32Å; W30-F111 VanDerWaalsContact NE1-CD2 3.32Å; W30-F111 AromaticContact NE1-CE2 3.05Å; W30-F111 AromaticContact NE1-CZ 3.98Å; W30-C114 HydrophobicContact CB-CB 3.83Å; W30-C114 HydrophobicContact CG-CB 4.27Å; W30-T115 PolarHBondContact NE1-OG1 3.4Å; W30-L118 HydrophobicContact CB-CD1 4.31Å; W30-L118 HydrophobicContact CG-CD1 4.3Å |
| 31 | V | 95.2 | Very high | 90.8 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66 | -47.6 | -179.5 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | V27 L28 E29 T33 I34 F35 | V27-V31 WeakPolarHBondContact O-CG2 3.48Å; V27-V31 PolarHBondContact O-N 3.43Å; L28-V31 PolarHBondContact O-N 2.9Å; E29-V31 PolarHBondContact O-N 2.87Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 2.86Å; V31-I34 WeakPolarHBondContact O-CB 3.34Å; V31-I34 PolarHBondContact O-N 3.28Å; V31-F35 HydrophobicContact CG1-CD2 3.86Å; V31-F35 HydrophobicContact CG1-CE2 3.47Å; V31-F35 VanDerWaalsContact CG1-CE2 3.47Å; V31-F35 VanDerWaalsContact O-CD2 3.3Å; V31-F35 WeakPolarHBondContact O-CD2 3.4Å; V31-F35 PolarHBondContact O-N 3Å |
| 32 | F | 93.9 | Very high | 91.4 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 23% | 0.232 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -31.3 | -177.1 | -73.2 | 5 | 0 | 0 | 0 | 111.8 | L28 I34 F35 A36 F196 L199 N200 L203 | L28-F32 WeakPolarHBondContact O-CB 3.23Å; L28-F32 PolarHBondContact O-N 3.41Å; F32-I34 VanDerWaalsContact C-N 3.34Å; F32-F35 HydrophobicContact CD1-CD2 4.46Å; F32-F35 PolarHBondContact O-N 3.08Å; F32-A36 WeakPolarHBondContact O-CB 3.33Å; F32-A36 PolarHBondContact O-N 2.98Å; F32-F196 HydrophobicContact CB-CD1 4.35Å; F32-F196 HydrophobicContact CD1-CD1 4.34Å; F32-F196 HydrophobicContact CD1-CE1 4.24Å; F32-F196 HydrophobicContact CE1-CE1 4.48Å; F32-F196 HydrophobicContact CG-CD1 4.2Å; F32-L199 HydrophobicContact CD2-CB 3.98Å; F32-L199 HydrophobicContact CD2-CD1 4.5Å; F32-L199 HydrophobicContact CE2-CB 4.25Å; F32-L199 HydrophobicContact CE2-CD1 4.24Å; F32-N200 WeakPolarHBondContact CB-OD1 3.41Å; F32-N200 PolarHBondContact O-ND2 3.27Å; F32-L203 HydrophobicContact CD2-CD1 3.45Å; F32-L203 VanDerWaalsContact CD2-CD1 3.45Å; F32-L203 HydrophobicContact CE2-CD1 3.91Å; F32-L203 HydrophobicContact CG-CD1 4.23Å |
| 33 | T | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.4 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | E29 V31 F35 A36 F37 G107 F111 W148 N200 | E29-T33 WeakPolarHBondContact O-CB 3Å; E29-T33 PolarHBondContact O-N 3.41Å; E29-T33 PolarHBondContact O-OG1 2.79Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 2.86Å; T33-F35 PolarHBondContact O-N 3.01Å; T33-A36 WeakPolarHBondContact O-CB 3.48Å; T33-A36 PolarHBondContact O-N 3.17Å; T33-F37 HydrophobicContact CG2-CD1 4.16Å; T33-F37 HydrophobicContact CG2-CE1 4.49Å; T33-F37 WeakPolarHBondContact O-CD1 3.49Å; T33-F37 PolarHBondContact O-N 3.28Å; T33-F37 VanDerWaalsContact O-N 3.11Å; T33-G107 WeakPolarHBondContact CG2-O 3.42Å; T33-F111 HydrophobicContact CG2-CB 3.96Å; T33-W148 HydrophobicContact CG2-CH2 4.3Å; T33-W148 HydrophobicContact CG2-CZ2 3.83Å; T33-N200 WeakPolarHBondContact CA-ND2 3.3Å; T33-N200 PolarHBondContact N-ND2 3.07Å; T33-N200 PolarHBondContact OG1-OD1 3.42Å |
| 34 | I | 94.8 | Very high | 92.2 | Very high | 52 Ų | 52 | 42 Ų | 42 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 174.2 | -64.7 | 163.9 | 0 | 0 | 0 | 110.6 | W30 V31 F32 A36 F37 A38 F111 | W30-I34 HydrophobicContact CD2-CD1 4.21Å; W30-I34 HydrophobicContact CE3-CD1 4.47Å; W30-I34 HydrophobicContact CH2-CD1 4.34Å; W30-I34 HydrophobicContact CZ2-CD1 4.08Å; W30-I34 WeakPolarHBondContact O-CG1 3.39Å; W30-I34 PolarHBondContact O-N 3.45Å; V31-I34 WeakPolarHBondContact O-CB 3.34Å; V31-I34 PolarHBondContact O-N 3.28Å; F32-I34 VanDerWaalsContact C-N 3.34Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 2.81Å; I34-F37 VanDerWaalsContact CA-CE1 3.49Å; I34-F37 HydrophobicContact CB-CE1 4.33Å; I34-F37 HydrophobicContact CG1-CE1 4.18Å; I34-F37 HydrophobicContact CG1-CZ 4.44Å; I34-A38 WeakPolarHBondContact O-CB 3.24Å; I34-A38 PolarHBondContact O-N 3.38Å; I34-F111 HydrophobicContact CD1-CD2 4.01Å; I34-F111 HydrophobicContact CD1-CE2 3.89Å; I34-F111 HydrophobicContact CG1-CD2 3.67Å; I34-F111 HydrophobicContact CG1-CE2 3.98Å |
| 35 | F | 93.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 178.8 | -72 | -57.2 | 0 | 0 | 0 | 112.2 | V31 F32 T33 T39 F196 | V31-F35 HydrophobicContact CG1-CD2 3.86Å; V31-F35 HydrophobicContact CG1-CE2 3.47Å; V31-F35 VanDerWaalsContact CG1-CE2 3.47Å; V31-F35 VanDerWaalsContact O-CD2 3.3Å; V31-F35 WeakPolarHBondContact O-CD2 3.4Å; V31-F35 PolarHBondContact O-N 3Å; F32-F35 HydrophobicContact CD1-CD2 4.46Å; F32-F35 PolarHBondContact O-N 3.08Å; T33-F35 PolarHBondContact O-N 3.01Å; F35-T39 VanDerWaalsContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CB 3.01Å; F35-T39 WeakPolarHBondContact O-CG2 3.04Å; F35-T39 PolarHBondContact O-N 3.49Å; F35-T39 VanDerWaalsContact O-N 3.14Å; F35-T39 PolarHBondContact O-OG1 2.82Å; F35-F196 HydrophobicContact CB-CD1 4.05Å; F35-F196 HydrophobicContact CB-CD2 3.74Å; F35-F196 HydrophobicContact CB-CE1 4.07Å; F35-F196 HydrophobicContact CB-CE2 3.77Å; F35-F196 HydrophobicContact CB-CG 3.9Å; F35-F196 HydrophobicContact CB-CZ 3.94Å; F35-F196 HydrophobicContact CD2-CE1 4.19Å; F35-F196 HydrophobicContact CD2-CZ 4.26Å; F35-F196 HydrophobicContact CG-CE1 4.36Å; F35-F196 HydrophobicContact CG-CE2 4.3Å; F35-F196 HydrophobicContact CG-CZ 4.11Å |
| 36 | A | 93 | Very high | 92 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -57.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | F32 T33 I34 T39 T40 Y103 W148 F196 | F32-A36 WeakPolarHBondContact O-CB 3.33Å; F32-A36 PolarHBondContact O-N 2.98Å; T33-A36 WeakPolarHBondContact O-CB 3.48Å; T33-A36 PolarHBondContact O-N 3.17Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 2.81Å; A36-T39 PolarHBondContact O-OG1 2.86Å; A36-T40 PolarHBondContact O-OG1 3.36Å; A36-T40 VanDerWaalsContact O-OG1 3.09Å; A36-Y103 HydrophobicContact CB-CE1 4.3Å; A36-Y103 VanDerWaalsContact CB-OH 3.22Å; A36-Y103 WeakPolarHBondContact CB-OH 3.06Å; A36-W148 HydrophobicContact CB-CH2 3.69Å; A36-W148 HydrophobicContact CB-CZ3 3.95Å; A36-F196 HydrophobicContact CB-CB 3.98Å |
| 37 | F | 92.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.7 | -35.9 | -175.5 | 78 | -107.8 | 0 | 0 | 0 | 112.3 | T33 I34 T40 G41 V104 V108 F111 | T33-F37 HydrophobicContact CG2-CD1 4.16Å; T33-F37 HydrophobicContact CG2-CE1 4.49Å; T33-F37 WeakPolarHBondContact O-CD1 3.49Å; T33-F37 PolarHBondContact O-N 3.28Å; T33-F37 VanDerWaalsContact O-N 3.11Å; I34-F37 VanDerWaalsContact CA-CE1 3.49Å; I34-F37 HydrophobicContact CB-CE1 4.33Å; I34-F37 HydrophobicContact CG1-CE1 4.18Å; I34-F37 HydrophobicContact CG1-CZ 4.44Å; F37-T40 PolarHBondContact O-N 3.22Å; F37-G41 PolarHBondContact O-N 3.4Å; F37-V104 HydrophobicContact CB-CG1 4.34Å; F37-V108 HydrophobicContact CD1-CG2 4.5Å; F37-V108 HydrophobicContact CD2-CG2 4.23Å; F37-V108 HydrophobicContact CG-CG2 4.24Å; F37-F111 HydrophobicContact CE1-CB 4.03Å; F37-F111 HydrophobicContact CE1-CG 4.33Å |
| 38 | A | 93.1 | Very high | 91.3 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.8 | -36.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I34 T40 G42 | I34-A38 WeakPolarHBondContact O-CB 3.24Å; I34-A38 PolarHBondContact O-N 3.38Å; A38-T40 VanDerWaalsContact C-N 3.33Å; A38-G42 WeakPolarHBondContact O-CA 3.48Å; A38-G42 PolarHBondContact O-N 2.65Å |
| 39 | T | 92.7 | Very high | 90.8 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -30.2 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | F35 A36 S193 | F35-T39 VanDerWaalsContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CB 3.01Å; F35-T39 WeakPolarHBondContact O-CG2 3.04Å; F35-T39 PolarHBondContact O-N 3.49Å; F35-T39 VanDerWaalsContact O-N 3.14Å; F35-T39 PolarHBondContact O-OG1 2.82Å; A36-T39 PolarHBondContact O-OG1 2.86Å; T39-S193 WeakPolarHBondContact OG1-CA 3.28Å; T39-S193 WeakPolarHBondContact OG1-CB 3.47Å |
| 40 | T | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -81.6 | -51.7 | 175.7 | -51 | 0 | 0 | 0 | 0 | 111.5 | A36 F37 A38 G42 Y43 Y67 F69 Y103 V104 W155 S193 | A36-T40 PolarHBondContact O-OG1 3.36Å; A36-T40 VanDerWaalsContact O-OG1 3.09Å; F37-T40 PolarHBondContact O-N 3.22Å; A38-T40 VanDerWaalsContact C-N 3.33Å; T40-G42 PolarHBondContact O-N 2.95Å; T40-Y43 WeakPolarHBondContact O-CB 3.48Å; T40-Y43 PolarHBondContact O-N 3.3Å; T40-Y67 HydrophobicContact CG2-CD2 4.3Å; T40-F69 HydrophobicContact CG2-CE2 4.19Å; T40-Y103 HydrophobicContact CG2-CD1 4.36Å; T40-Y103 WeakPolarHBondContact OG1-CE1 3.2Å; T40-V104 HydrophobicContact CG2-CG2 3.99Å; T40-W155 HydrophobicContact CG2-CD2 4.4Å; T40-W155 HydrophobicContact CG2-CH2 4.27Å; T40-W155 HydrophobicContact CG2-CZ2 3.76Å; T40-S193 WeakPolarHBondContact OG1-CB 3.43Å; T40-S193 PolarHBondContact OG1-OG 2.88Å |
| 41 | G | 90.3 | Very high | 89.7 | Confident | 32 Ų | 32 | 35.8 Ų | 35.8 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.7 | -27.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | F37 Y43 | F37-G41 PolarHBondContact O-N 3.4Å; G41-Y43 VanDerWaalsContact C-N 3.34Å |
| 42 | G | 89.4 | Confident | 89.1 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 11.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A38 T40 | A38-G42 WeakPolarHBondContact O-CA 3.48Å; A38-G42 PolarHBondContact O-N 2.65Å; T40-G42 PolarHBondContact O-N 2.95Å |
| 43 | Y | 91.9 | Very high | 88.3 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | trans | -83.5 | 133.8 | -176.8 | -174.4 | -94.9 | 0 | 0 | 0 | 112.9 | T40 G41 F65 S66 Y67 F69 S186 K189 L190 | T40-Y43 WeakPolarHBondContact O-CB 3.48Å; T40-Y43 PolarHBondContact O-N 3.3Å; G41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-F65 HydrophobicContact CE1-CD2 4.35Å; Y43-F65 AromaticContact CE1-CE2 3.66Å; Y43-F65 HydrophobicContact CE1-CE2 3.66Å; Y43-F65 HydrophobicContact CE1-CZ 4.18Å; Y43-S66 WeakPolarHBondContact O-CA 3.33Å; Y43-S66 WeakPolarHBondContact O-CB 3.32Å; Y43-Y67 PolarHBondContact O-N 2.84Å; Y43-F69 AromaticContact CD1-CE1 3.7Å; Y43-F69 HydrophobicContact CD1-CE1 3.7Å; Y43-F69 AromaticContact CD1-CZ 3.98Å; Y43-F69 HydrophobicContact CD1-CZ 3.98Å; Y43-F69 HydrophobicContact CE1-CE1 4.21Å; Y43-F69 HydrophobicContact CG-CZ 4.46Å; Y43-S186 WeakPolarHBondContact CE2-O 3.49Å; Y43-S186 PolarHBondContact OH-O 3.43Å; Y43-K189 HydrophobicContact CD2-CB 3.97Å; Y43-K189 HydrophobicContact CD2-CD 4.36Å; Y43-K189 HydrophobicContact CE2-CB 4.39Å; Y43-L190 HydrophobicContact CD1-CD1 3.85Å; Y43-L190 HydrophobicContact CD1-CD2 3.99Å; Y43-L190 HydrophobicContact CD1-CG 4.12Å; Y43-L190 HydrophobicContact CD2-CD1 4.24Å; Y43-L190 HydrophobicContact CD2-CD2 3.67Å; Y43-L190 HydrophobicContact CD2-CG 3.67Å; Y43-L190 HydrophobicContact CE1-CD1 3.75Å; Y43-L190 HydrophobicContact CE1-CG 4.26Å; Y43-L190 HydrophobicContact CE2-CD1 4.14Å; Y43-L190 HydrophobicContact CE2-CD2 4.33Å; Y43-L190 HydrophobicContact CE2-CG 3.82Å; Y43-L190 HydrophobicContact CG-CD1 4.09Å; Y43-L190 HydrophobicContact CG-CD2 3.45Å; Y43-L190 VanDerWaalsContact CG-CD2 3.45Å; Y43-L190 HydrophobicContact CG-CG 3.81Å | ||
| 44 | S | 88.6 | Confident | 87.2 | Confident | 90 Ų | 90 | 44.6 Ų | 44.6 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 131.8 | 164.9 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 45 | G | 86.3 | Confident | 86 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 156.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | G64 F65 | G45-G64 WeakPolarHBondContact O-CA 3.19Å; G45-F65 PolarHBondContact N-O 3.17Å; G45-F65 PolarHBondContact O-N 2.94Å |
| 46 | T | 85.9 | Confident | 84.8 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 108 | A63 | T46-A63 WeakPolarHBondContact CA-O 3.42Å |
| 47 | T | 84.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.4 | 169.4 | -163.7 | 0 | 0 | 0 | 0 | 108.5 | G62 A63 L92 T166 L171 | T47-G62 CarbonylContact O-C 3.53Å; T47-G62 WeakPolarHBondContact O-CA 2.94Å; T47-A63 HydrophobicContact CG2-CB 3.92Å; T47-A63 PolarHBondContact N-O 3Å; T47-A63 PolarHBondContact O-N 3.3Å; T47-L92 HydrophobicContact CG2-CD2 4.36Å; T47-T166 WeakPolarHBondContact CB-O 3.42Å; T47-T166 PolarHBondContact OG1-O 3.19Å; T47-L171 HydrophobicContact CG2-CD1 3.78Å |
| 48 | Q | 84.3 | Confident | 83 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.6 | -178 | -65.4 | 174.8 | 25.2 | 0 | 0 | 110.6 | T60 V61 G182 E183 | Q48-T60 HydrophobicContact CB-CG2 3.91Å; Q48-T60 HydrophobicContact CG-CG2 4.11Å; Q48-V61 WeakPolarHBondContact CA-O 3.03Å; Q48-G182 CarbonylContact O-C 3.36Å; Q48-G182 WeakPolarHBondContact O-CA 3.45Å; Q48-G182 PolarHBondContact O-N 3.31Å; Q48-G182 VanDerWaalsContact O-N 3.08Å; Q48-E183 HydrophobicContact CB-CB 4.17Å; Q48-E183 HydrophobicContact CG-CB 4.25Å; Q48-E183 PolarHBondContact N-O 2.99Å; Q48-E183 VanDerWaalsContact N-O 3.13Å; Q48-E183 PolarHBondContact NE2-OE2 3.14Å |
| 49 | I | 83 | Confident | 82.4 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.1 | 172.6 | -57 | 169.6 | 0 | 0 | 0 | 107.4 | V61 F77 L171 V172 C179 | I49-V61 PolarHBondContact N-O 3.29Å; I49-V61 PolarHBondContact O-N 3.02Å; I49-F77 HydrophobicContact CD1-CD2 4.42Å; I49-F77 HydrophobicContact CD1-CE2 3.66Å; I49-F77 HydrophobicContact CD1-CZ 4.19Å; I49-L171 HydrophobicContact CD1-CB 3.68Å; I49-L171 HydrophobicContact CD1-CD1 4.24Å; I49-L171 HydrophobicContact CG1-CB 4.34Å; I49-V172 HydrophobicContact CG2-CG2 3.85Å; I49-C179 HydrophobicContact CG2-CB 4.08Å |
| 50 | L | 82.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 59 Ų | 59 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.2 | 175.3 | -166.7 | 75.2 | 0 | 0 | 0 | 108.9 | P58 T60 C179 S180 | L50-P58 HydrophobicContact CD1-CB 4.16Å; L50-P58 HydrophobicContact CG-CB 4.39Å; L50-T60 WeakPolarHBondContact CD1-OG1 3.22Å; L50-C179 CarbonylContact O-C 3.19Å; L50-C179 WeakPolarHBondContact O-CA 3.46Å; L50-S180 PolarHBondContact N-O 3.19Å; L50-S180 PolarHBondContact O-N 3.39Å |
| 51 | V | 83.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116 | 173.8 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | P58 K59 V61 V79 P80 | V51-P58 WeakPolarHBondContact O-CA 3.28Å; V51-K59 PolarHBondContact N-O 3.45Å; V51-K59 PolarHBondContact O-N 2.63Å; V51-V61 HydrophobicContact CG2-CG2 4.39Å; V51-V79 HydrophobicContact CG2-CG1 4.18Å; V51-P80 HydrophobicContact CB-CG 4.21Å; V51-P80 HydrophobicContact CG1-CG 4.3Å; V51-P80 HydrophobicContact CG2-CG 4.14Å |
| 52 | N | 81.9 | Confident | 80.7 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | trans | -107.2 | 105.8 | 178.5 | -166.2 | 8.1 | 0 | 0 | 0 | 109.9 | Q178 | N52-Q178 PolarHBondContact N-O 3.22Š| ||
| 53 | C | 77.4 | Confident | 80.4 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | trans | -98.3 | 134.8 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | G55 G56 C82 | C53-G55 PolarHBondContact O-N 2.93Å; C53-G56 PolarHBondContact O-N 2.66Å; C53-G56 VanDerWaalsContact O-N 3.13Å; C53-C82 WeakPolarHBondContact CA-SG 3.29Å; C53-C82 HydrophobicContact CB-CB 3.62Å; C53-C82 WeakPolarHBondContact CB-SG 3.39Å; C53-C82 WeakPolarHBondContact SG-CA 3.38Å; C53-C82 WeakPolarHBondContact SG-CB 3.37Å; C53-C82 CovalentContact SG-SG 2.03Å; C53-C82 PolarHBondContact SG-SG 3.41Å | ||
| 54 | V | 71.7 | Confident | 80 | Confident | 161 Ų | 161 | 59.8 Ų | 59.8 | 98% | 0.976 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 113.3 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 55 | G | 68.4 | Low | 80 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 93% | 0.928 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 12.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C53 | C53-G55 PolarHBondContact O-N 2.93Š|
| 56 | G | 68.4 | Low | 80.1 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -132.4 | 163.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | C53 | C53-G56 PolarHBondContact O-N 2.66Å; C53-G56 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 73.1 | Confident | 80.2 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 76% | 0.757 | 35% | 0.353 | S | S | * | . | trans | -66.5 | 140.5 | 172.1 | -71.9 | -66.5 | 143.2 | 0 | 0 | 110.8 | K59 | E57-K59 PolarHBondContact O-N 3.05Š| ||
| 58 | P | 75.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | trans | -62.5 | 131.3 | 177.8 | 25.2 | -32.1 | 0 | 0 | 0 | 110.7 | L50 V51 | L50-P58 HydrophobicContact CD1-CB 4.16Å; L50-P58 HydrophobicContact CG-CB 4.39Å; V51-P58 WeakPolarHBondContact O-CA 3.28Å | ||
| 59 | K | 79.4 | Confident | 80.6 | Confident | 126 Ų | 126 | 55 Ų | 55 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125 | -179 | -70.6 | -179.9 | -178.4 | 174.9 | 0 | 110.7 | V51 E57 P80 | V51-K59 PolarHBondContact N-O 3.45Å; V51-K59 PolarHBondContact O-N 2.63Å; E57-K59 PolarHBondContact O-N 3.05Å; K59-P80 HydrophobicContact CB-CG 4.18Å; K59-P80 HydrophobicContact CD-CB 4.22Å; K59-P80 HydrophobicContact CD-CG 3.93Å |
| 60 | T | 80.1 | Confident | 80.8 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.5 | 175.1 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | Q48 L50 | Q48-T60 HydrophobicContact CB-CG2 3.91Å; Q48-T60 HydrophobicContact CG-CG2 4.11Å; L50-T60 WeakPolarHBondContact CD1-OG1 3.22Å |
| 61 | V | 80.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | Q48 I49 V51 F77 M78 | Q48-V61 WeakPolarHBondContact CA-O 3.03Å; I49-V61 PolarHBondContact N-O 3.29Å; I49-V61 PolarHBondContact O-N 3.02Å; V51-V61 HydrophobicContact CG2-CG2 4.39Å; V61-F77 HydrophobicContact CG1-CB 3.78Å; V61-F77 HydrophobicContact CG1-CD2 3.98Å; V61-F77 HydrophobicContact CG1-CG 4.36Å; V61-M78 WeakPolarHBondContact CG2-O 3.41Å |
| 62 | G | 79.8 | Confident | 80.6 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T47 | T47-G62 CarbonylContact O-C 3.53Å; T47-G62 WeakPolarHBondContact O-CA 2.94Å |
| 63 | A | 81.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 109.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | T46 T47 F77 L92 | T46-A63 WeakPolarHBondContact CA-O 3.42Å; T47-A63 HydrophobicContact CG2-CB 3.92Å; T47-A63 PolarHBondContact N-O 3Å; T47-A63 PolarHBondContact O-N 3.3Å; A63-F77 HydrophobicContact CB-CB 4.21Å; A63-F77 HydrophobicContact CB-CD1 3.68Å; A63-F77 HydrophobicContact CB-CE1 4.23Å; A63-F77 HydrophobicContact CB-CG 4.02Å; A63-L92 HydrophobicContact CB-CD1 3.85Å; A63-L92 HydrophobicContact CB-CD2 4.24Å; A63-L92 HydrophobicContact CB-CG 4.05Å |
| 64 | G | 84.3 | Confident | 79.9 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G45 Y74 | G45-G64 WeakPolarHBondContact O-CA 3.19Å; G64-Y74 WeakPolarHBondContact O-CB 3.2Å |
| 65 | F | 87.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.4 | 171.6 | 64 | -82.2 | 0 | 0 | 0 | 109.7 | Y43 G45 F69 L71 Y74 L92 V162 T166 P185 M187 | Y43-F65 HydrophobicContact CE1-CD2 4.35Å; Y43-F65 AromaticContact CE1-CE2 3.66Å; Y43-F65 HydrophobicContact CE1-CE2 3.66Å; Y43-F65 HydrophobicContact CE1-CZ 4.18Å; G45-F65 PolarHBondContact N-O 3.17Å; G45-F65 PolarHBondContact O-N 2.94Å; F65-F69 HydrophobicContact CD2-CD1 4.01Å; F65-F69 HydrophobicContact CD2-CE1 4.25Å; F65-F69 HydrophobicContact CE2-CD1 4.38Å; F65-F69 HydrophobicContact CE2-CE1 4.32Å; F65-L71 HydrophobicContact CB-CD2 3.67Å; F65-L71 HydrophobicContact CD2-CD2 4.16Å; F65-L71 HydrophobicContact CG-CD2 3.95Å; F65-Y74 HydrophobicContact CB-CD2 4.17Å; F65-Y74 HydrophobicContact CB-CE2 4.38Å; F65-L92 HydrophobicContact CB-CD1 4.45Å; F65-L92 HydrophobicContact CD1-CD1 4.38Å; F65-V162 HydrophobicContact CD2-CG1 4.49Å; F65-V162 HydrophobicContact CE2-CG1 3.95Å; F65-T166 HydrophobicContact CD1-CG2 3.81Å; F65-T166 HydrophobicContact CD2-CG2 4.22Å; F65-T166 HydrophobicContact CE1-CG2 3.55Å; F65-T166 HydrophobicContact CE2-CG2 3.96Å; F65-T166 HydrophobicContact CG-CG2 4.16Å; F65-T166 HydrophobicContact CZ-CG2 3.64Å; F65-P185 HydrophobicContact CE1-CB 3.96Å; F65-P185 HydrophobicContact CE1-CG 4.23Å; F65-P185 HydrophobicContact CZ-CB 3.82Å; F65-P185 HydrophobicContact CZ-CG 4.11Å; F65-M187 HydrophobicContact CE2-CE 4.27Å; F65-M187 HydrophobicContact CZ-CE 3.74Å |
| 66 | S | 89.6 | Confident | 79.3 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | -179.6 | 180 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | Y43 F69 Y74 | Y43-S66 WeakPolarHBondContact O-CA 3.33Å; Y43-S66 WeakPolarHBondContact O-CB 3.32Å; S66-F69 VanDerWaalsContact O-CA 3.29Å; S66-F69 WeakPolarHBondContact O-CA 3.25Å; S66-F69 PolarHBondContact O-N 2.72Å; S66-Y74 VanDerWaalsContact C-OH 3.32Å; S66-Y74 PolarHBondContact O-OH 3.33Å; S66-Y74 WeakPolarHBondContact OG-CE1 3.46Å; S66-Y74 PolarHBondContact OG-OH 3.13Å; S66-Y74 VanDerWaalsContact OG-OH 3.07Å |
| 67 | Y | 88.3 | Confident | 79.5 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 136.1 | 163.3 | 178.6 | -90.5 | 0 | 0 | 0 | 109.9 | T40 Y43 F69 Y74 A100 E101 V104 | T40-Y67 HydrophobicContact CG2-CD2 4.3Å; Y43-Y67 PolarHBondContact O-N 2.84Å; Y67-F69 HydrophobicContact CD2-CD2 4.34Å; Y67-F69 AromaticContact CD2-CE2 3.98Å; Y67-F69 HydrophobicContact CD2-CE2 3.98Å; Y67-Y74 PolarHBondContact O-OH 3.15Å; Y67-A100 HydrophobicContact CD2-CB 4.09Å; Y67-A100 HydrophobicContact CE2-CB 3.84Å; Y67-E101 WeakPolarHBondContact OH-CA 3.32Å; Y67-V104 HydrophobicContact CD2-CG2 4.35Å; Y67-V104 HydrophobicContact CE2-CB 4.19Å; Y67-V104 HydrophobicContact CE2-CG2 3.57Å |
| 68 | P | 88.6 | Confident | 79.2 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | 33 | 10.9 | 38 | -35.6 | 0 | 0 | 0 | 114.7 | R70 S97 E101 | P68-R70 VanDerWaalsContact C-N 3.34Å; P68-R70 HydrophobicContact CG-CG 4.23Å; P68-R70 PolarHBondContact O-N 2.86Å; P68-S97 WeakPolarHBondContact O-CA 3.42Å; P68-S97 WeakPolarHBondContact O-CB 3.34Å; P68-S97 PolarHBondContact O-N 3.43Å; P68-E101 HydrophobicContact CB-CG 3.92Å; P68-E101 WeakPolarHBondContact CB-OE1 3.46Å |
| 69 | F | 88.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 60.2 | 35.7 | 173 | -49.7 | -79.2 | 0 | 0 | 0 | 115.2 | T40 Y43 F65 S66 Y67 L71 Y96 A100 W155 V162 L190 | T40-F69 HydrophobicContact CG2-CE2 4.19Å; Y43-F69 AromaticContact CD1-CE1 3.7Å; Y43-F69 HydrophobicContact CD1-CE1 3.7Å; Y43-F69 AromaticContact CD1-CZ 3.98Å; Y43-F69 HydrophobicContact CD1-CZ 3.98Å; Y43-F69 HydrophobicContact CE1-CE1 4.21Å; Y43-F69 HydrophobicContact CG-CZ 4.46Å; F65-F69 HydrophobicContact CD2-CD1 4.01Å; F65-F69 HydrophobicContact CD2-CE1 4.25Å; F65-F69 HydrophobicContact CE2-CD1 4.38Å; F65-F69 HydrophobicContact CE2-CE1 4.32Å; S66-F69 VanDerWaalsContact O-CA 3.29Å; S66-F69 WeakPolarHBondContact O-CA 3.25Å; S66-F69 PolarHBondContact O-N 2.72Å; Y67-F69 HydrophobicContact CD2-CD2 4.34Å; Y67-F69 AromaticContact CD2-CE2 3.98Å; Y67-F69 HydrophobicContact CD2-CE2 3.98Å; F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 2.89Å; F69-L71 VanDerWaalsContact O-N 3.12Å; F69-Y96 PolarHBondContact O-N 3.47Å; F69-A100 HydrophobicContact CD2-CB 3.65Å; F69-A100 HydrophobicContact CE2-CB 4Å; F69-W155 AromaticContact CD2-CH2 3.73Å; F69-W155 HydrophobicContact CD2-CH2 3.73Å; F69-W155 AromaticContact CD2-CZ3 3.96Å; F69-W155 HydrophobicContact CD2-CZ3 3.96Å; F69-W155 HydrophobicContact CE1-CH2 4.47Å; F69-W155 AromaticContact CE2-CH2 3.33Å; F69-W155 HydrophobicContact CE2-CH2 3.33Å; F69-W155 HydrophobicContact CE2-CZ2 4.09Å; F69-W155 AromaticContact CE2-CZ3 3.96Å; F69-W155 HydrophobicContact CE2-CZ3 3.96Å; F69-W155 HydrophobicContact CG-CH2 4.45Å; F69-W155 AromaticContact CZ-CH2 3.77Å; F69-W155 HydrophobicContact CZ-CH2 3.77Å; F69-W155 HydrophobicContact CZ-CZ2 4.31Å; F69-V162 HydrophobicContact CB-CG2 4.09Å; F69-V162 HydrophobicContact CD1-CG1 4.07Å; F69-V162 HydrophobicContact CD1-CG2 4.17Å; F69-V162 HydrophobicContact CE1-CG1 4.46Å; F69-V162 HydrophobicContact CG-CG2 4.18Å; F69-L190 HydrophobicContact CE1-CD1 3.84Å; F69-L190 HydrophobicContact CE1-CD2 4.48Å; F69-L190 HydrophobicContact CZ-CD1 3.92Å; F69-L190 HydrophobicContact CZ-CD2 3.78Å | ||
| 70 | R | 86.5 | Confident | 78.6 | Confident | 104 Ų | 104 | 43.8 Ų | 43.8 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 75.9 | 168.3 | -63.3 | -176.4 | -172.3 | 167.4 | 8.4 | 110.2 | P68 S72 S73 Y74 S97 E101 | P68-R70 VanDerWaalsContact C-N 3.34Å; P68-R70 HydrophobicContact CG-CG 4.23Å; P68-R70 PolarHBondContact O-N 2.86Å; R70-S72 PolarHBondContact O-N 2.67Å; R70-S72 VanDerWaalsContact O-N 3.15Å; R70-S73 WeakPolarHBondContact O-CB 3.17Å; R70-S73 PolarHBondContact O-N 3.34Å; R70-Y74 HydrophobicContact CB-CE2 4.49Å; R70-Y74 WeakPolarHBondContact O-CD2 3.3Å; R70-Y74 VanDerWaalsContact O-CE2 3.27Å; R70-Y74 WeakPolarHBondContact O-CE2 3.49Å; R70-S97 PolarHBondContact NE-OG 3Å; R70-E101 IonicContact CZ-OE1 3.93Å; R70-E101 IonicContact NH2-OE1 2.94Å; R70-E101 PolarHBondContact NH2-OE1 2.82Å |
| 71 | L | 83.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -56.5 | -36.1 | -169.1 | -61.9 | -178.9 | 0 | 0 | 0 | 113.2 | F65 F69 S73 L92 G94 Y96 A165 T166 | F65-L71 HydrophobicContact CB-CD2 3.67Å; F65-L71 HydrophobicContact CD2-CD2 4.16Å; F65-L71 HydrophobicContact CG-CD2 3.95Å; F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 2.89Å; F69-L71 VanDerWaalsContact O-N 3.12Å; L71-S73 VanDerWaalsContact C-N 3.25Å; L71-S73 PolarHBondContact O-N 2.92Å; L71-L92 CarbonylContact C-O 3.52Å; L71-L92 HydrophobicContact CB-CB 3.66Å; L71-L92 HydrophobicContact CD2-CD1 4.27Å; L71-L92 HydrophobicContact CG-CB 4.47Å; L71-G94 VanDerWaalsContact CB-O 3.3Å; L71-G94 WeakPolarHBondContact CB-O 3.32Å; L71-G94 PolarHBondContact N-O 3.35Å; L71-G94 VanDerWaalsContact N-O 3.13Å; L71-Y96 HydrophobicContact CD1-CD2 4.07Å; L71-Y96 HydrophobicContact CD1-CE2 3.8Å; L71-A165 HydrophobicContact CD1-CB 3.51Å; L71-T166 HydrophobicContact CD1-CG2 4.28Å; L71-T166 HydrophobicContact CD2-CG2 4.08Å |
| 72 | S | 77.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 43 Ų | 43 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -68.4 | -20 | 178.2 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | R70 L92 | R70-S72 PolarHBondContact O-N 2.67Å; R70-S72 VanDerWaalsContact O-N 3.15Å; S72-L92 VanDerWaalsContact CA-O 3.3Å; S72-L92 WeakPolarHBondContact CA-O 3.36Å; S72-L92 PolarHBondContact N-O 3.06Å; S72-L92 VanDerWaalsContact N-O 3.15Å |
| 73 | S | 73.8 | Confident | 77.4 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -94.9 | -14.1 | -172.9 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | R70 L71 G75 | R70-S73 WeakPolarHBondContact O-CB 3.17Å; R70-S73 PolarHBondContact O-N 3.34Å; L71-S73 VanDerWaalsContact C-N 3.25Å; L71-S73 PolarHBondContact O-N 2.92Å; S73-G75 PolarHBondContact O-N 3.39Å; S73-G75 VanDerWaalsContact O-N 3.14Å |
| 74 | Y | 71.7 | Confident | 76.5 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -75.9 | 4.8 | -176.9 | -71.3 | -74.8 | 0 | 0 | 0 | 114.5 | G64 F65 S66 Y67 R70 | G64-Y74 WeakPolarHBondContact O-CB 3.2Å; F65-Y74 HydrophobicContact CB-CD2 4.17Å; F65-Y74 HydrophobicContact CB-CE2 4.38Å; S66-Y74 VanDerWaalsContact C-OH 3.32Å; S66-Y74 PolarHBondContact O-OH 3.33Å; S66-Y74 WeakPolarHBondContact OG-CE1 3.46Å; S66-Y74 PolarHBondContact OG-OH 3.13Å; S66-Y74 VanDerWaalsContact OG-OH 3.07Å; Y67-Y74 PolarHBondContact O-OH 3.15Å; R70-Y74 HydrophobicContact CB-CE2 4.49Å; R70-Y74 WeakPolarHBondContact O-CD2 3.3Å; R70-Y74 VanDerWaalsContact O-CE2 3.27Å; R70-Y74 WeakPolarHBondContact O-CE2 3.49Å |
| 75 | G | 60.9 | Low | 75.6 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | trans | 95 | 157.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S73 | S73-G75 PolarHBondContact O-N 3.39Å; S73-G75 VanDerWaalsContact O-N 3.14Å | ||
| 76 | P | 66.1 | Low | 74.5 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -69.9 | 134.9 | 177.3 | 26.3 | -28.6 | 0 | 0 | 0 | 110.1 | A89 T90 Y91 | P76-A89 HydrophobicContact CB-CB 3.7Å; P76-A89 HydrophobicContact CG-CB 4.38Å; P76-T90 CarbonylContact C-O 3.56Å; P76-T90 VanDerWaalsContact CA-O 3.32Å; P76-T90 WeakPolarHBondContact CA-O 3.5Å; P76-Y91 HydrophobicContact CB-CD1 4.16Å; P76-Y91 HydrophobicContact CB-CE1 3.64Å; P76-Y91 HydrophobicContact CB-CE2 4.07Å; P76-Y91 HydrophobicContact CG-CE1 3.96Å | ||
| 77 | F | 72.3 | Confident | 73.5 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.5 | 162.6 | 59.2 | -87.1 | 0 | 0 | 0 | 108.6 | I49 V61 A63 V79 T90 L92 | I49-F77 HydrophobicContact CD1-CD2 4.42Å; I49-F77 HydrophobicContact CD1-CE2 3.66Å; I49-F77 HydrophobicContact CD1-CZ 4.19Å; V61-F77 HydrophobicContact CG1-CB 3.78Å; V61-F77 HydrophobicContact CG1-CD2 3.98Å; V61-F77 HydrophobicContact CG1-CG 4.36Å; A63-F77 HydrophobicContact CB-CB 4.21Å; A63-F77 HydrophobicContact CB-CD1 3.68Å; A63-F77 HydrophobicContact CB-CE1 4.23Å; A63-F77 HydrophobicContact CB-CG 4.02Å; F77-V79 HydrophobicContact CD2-CG2 3.78Å; F77-V79 HydrophobicContact CE2-CG2 3.78Å; F77-V79 PolarHBondContact O-N 2.94Å; F77-T90 WeakPolarHBondContact CD1-O 3.13Å; F77-T90 VanDerWaalsContact CD2-OG1 3.23Å; F77-T90 WeakPolarHBondContact CD2-OG1 3.29Å; F77-T90 WeakPolarHBondContact CE1-O 3.41Å; F77-T90 WeakPolarHBondContact CE2-OG1 3.47Å; F77-T90 WeakPolarHBondContact CZ-OG1 3.31Å; F77-T90 PolarHBondContact N-O 3.47Å; F77-T90 PolarHBondContact O-N 2.81Å; F77-T90 VanDerWaalsContact O-N 3.11Å; F77-T90 PolarHBondContact O-OG1 3.46Å; F77-L92 HydrophobicContact CD1-CG 4.49Å; F77-L92 HydrophobicContact CE1-CD2 3.97Å; F77-L92 HydrophobicContact CE1-CG 4.04Å |
| 78 | M | 68 | Low | 72.7 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 58% | 0.581 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107 | -175 | -69.5 | -149.7 | 153.7 | 0 | 0 | 110 | V61 P80 A87 | V61-M78 WeakPolarHBondContact CG2-O 3.41Å; M78-P80 VanDerWaalsContact O-CD 3.27Å; M78-P80 WeakPolarHBondContact O-CD 3.45Å; M78-A87 HydrophobicContact CB-CB 3.87Å; M78-A87 HydrophobicContact SD-CB 4.27Å |
| 79 | V | 74.1 | Confident | 71.8 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 9% | 0.085 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.7 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | V51 F77 T81 A87 N88 T90 | V51-V79 HydrophobicContact CG2-CG1 4.18Å; F77-V79 HydrophobicContact CD2-CG2 3.78Å; F77-V79 HydrophobicContact CE2-CG2 3.78Å; F77-V79 PolarHBondContact O-N 2.94Å; V79-T81 PolarHBondContact O-N 3.04Å; V79-A87 CarbonylContact O-C 3.57Å; V79-A87 VanDerWaalsContact O-CA 3.31Å; V79-A87 WeakPolarHBondContact O-CA 3.38Å; V79-A87 WeakPolarHBondContact O-CB 3.39Å; V79-N88 PolarHBondContact N-O 3.31Å; V79-N88 PolarHBondContact O-N 3.08Å; V79-T90 VanDerWaalsContact CG2-OG1 3.3Å; V79-T90 WeakPolarHBondContact CG2-OG1 3.32Å |
| 80 | P | 68.8 | Low | 70.9 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | trans | -64 | 132.5 | 178.4 | 26.3 | -33.5 | 0 | 0 | 0 | 109.9 | V51 K59 M78 | V51-P80 HydrophobicContact CB-CG 4.21Å; V51-P80 HydrophobicContact CG1-CG 4.3Å; V51-P80 HydrophobicContact CG2-CG 4.14Å; K59-P80 HydrophobicContact CB-CG 4.18Å; K59-P80 HydrophobicContact CD-CB 4.22Å; K59-P80 HydrophobicContact CD-CG 3.93Å; M78-P80 VanDerWaalsContact O-CD 3.27Å; M78-P80 WeakPolarHBondContact O-CD 3.45Å | ||
| 81 | T | 71.2 | Confident | 70.5 | Confident | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | trans | -82.6 | 136.3 | 173.2 | 68.7 | 0 | 0 | 0 | 0 | 109.9 | V79 N83 G84 S85 A86 | V79-T81 PolarHBondContact O-N 3.04Å; T81-N83 PolarHBondContact O-N 2.94Å; T81-G84 PolarHBondContact O-N 3.02Å; T81-S85 WeakPolarHBondContact OG1-CA 3.37Å; T81-S85 VanDerWaalsContact OG1-CB 3.31Å; T81-S85 WeakPolarHBondContact OG1-CB 3.49Å; T81-S85 PolarHBondContact OG1-N 2.86Å; T81-S85 PolarHBondContact OG1-O 2.86Å; T81-A86 WeakPolarHBondContact CG2-O 3.21Å | ||
| 82 | C | 71.2 | Confident | 70.2 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.3 | 179.8 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | C53 | C53-C82 WeakPolarHBondContact CA-SG 3.29Å; C53-C82 HydrophobicContact CB-CB 3.62Å; C53-C82 WeakPolarHBondContact CB-SG 3.39Å; C53-C82 WeakPolarHBondContact SG-CA 3.38Å; C53-C82 WeakPolarHBondContact SG-CB 3.37Å; C53-C82 CovalentContact SG-SG 2.03Å; C53-C82 PolarHBondContact SG-SG 3.41Å |
| 83 | N | 70.9 | Confident | 70.3 | Confident | 151 Ų | 151 | 67 Ų | 67 | 81% | 0.807 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.1 | -179.8 | -73.1 | -8.6 | 0 | 0 | 0 | 113.8 | T81 S85 | T81-N83 PolarHBondContact O-N 2.94Å; N83-S85 VanDerWaalsContact C-N 3.29Å; N83-S85 PolarHBondContact O-N 3.45Å |
| 84 | G | 63.2 | Low | 70.7 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 78% | 0.784 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 78.6 | 7.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T81 | T81-G84 PolarHBondContact O-N 3.02Š|
| 85 | S | 65.3 | Low | 71.4 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 56% | 0.559 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 165.9 | 173.1 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | T81 N83 | T81-S85 WeakPolarHBondContact OG1-CA 3.37Å; T81-S85 VanDerWaalsContact OG1-CB 3.31Å; T81-S85 WeakPolarHBondContact OG1-CB 3.49Å; T81-S85 PolarHBondContact OG1-N 2.86Å; T81-S85 PolarHBondContact OG1-O 2.86Å; N83-S85 VanDerWaalsContact C-N 3.29Å; N83-S85 PolarHBondContact O-N 3.45Å |
| 86 | A | 64.8 | Low | 72.8 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 72% | 0.719 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -51 | 143.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T81 | T81-A86 WeakPolarHBondContact CG2-O 3.21Š|
| 87 | A | 68.5 | Low | 74.1 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 137.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M78 V79 A89 | M78-A87 HydrophobicContact CB-CB 3.87Å; M78-A87 HydrophobicContact SD-CB 4.27Å; V79-A87 CarbonylContact O-C 3.57Å; V79-A87 VanDerWaalsContact O-CA 3.31Å; V79-A87 WeakPolarHBondContact O-CA 3.38Å; V79-A87 WeakPolarHBondContact O-CB 3.39Å; A87-A89 PolarHBondContact O-N 3.37Å |
| 88 | N | 71 | Confident | 75.1 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 55% | 0.551 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.6 | 175.6 | -81.2 | -17.7 | 0 | 0 | 0 | 109.3 | V79 T90 | V79-N88 PolarHBondContact N-O 3.31Å; V79-N88 PolarHBondContact O-N 3.08Å; N88-T90 PolarHBondContact O-N 2.77Å |
| 89 | A | 70.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 107.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P76 A87 | P76-A89 HydrophobicContact CB-CB 3.7Å; P76-A89 HydrophobicContact CG-CB 4.38Å; A87-A89 PolarHBondContact O-N 3.37Å |
| 90 | T | 70.3 | Confident | 77.3 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 148.7 | 174.5 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | P76 F77 V79 N88 | P76-T90 CarbonylContact C-O 3.56Å; P76-T90 VanDerWaalsContact CA-O 3.32Å; P76-T90 WeakPolarHBondContact CA-O 3.5Å; F77-T90 WeakPolarHBondContact CD1-O 3.13Å; F77-T90 VanDerWaalsContact CD2-OG1 3.23Å; F77-T90 WeakPolarHBondContact CD2-OG1 3.29Å; F77-T90 WeakPolarHBondContact CE1-O 3.41Å; F77-T90 WeakPolarHBondContact CE2-OG1 3.47Å; F77-T90 WeakPolarHBondContact CZ-OG1 3.31Å; F77-T90 PolarHBondContact N-O 3.47Å; F77-T90 PolarHBondContact O-N 2.81Å; F77-T90 VanDerWaalsContact O-N 3.11Å; F77-T90 PolarHBondContact O-OG1 3.46Å; V79-T90 VanDerWaalsContact CG2-OG1 3.3Å; V79-T90 WeakPolarHBondContact CG2-OG1 3.32Å; N88-T90 PolarHBondContact O-N 2.77Å |
| 91 | Y | 77.5 | Confident | 78.5 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 43% | 0.427 | 39% | 0.392 | S | S | . | . | trans | -119.4 | 144.4 | -176.7 | -61.2 | -96.4 | 0 | 0 | 0 | 109.6 | P76 Q93 | P76-Y91 HydrophobicContact CB-CD1 4.16Å; P76-Y91 HydrophobicContact CB-CE1 3.64Å; P76-Y91 HydrophobicContact CB-CE2 4.07Å; P76-Y91 HydrophobicContact CG-CE1 3.96Å; Y91-Q93 PolarHBondContact O-N 3.29Å | ||
| 92 | L | 77.8 | Confident | 79.7 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | trans | -67.7 | 129.9 | 166.4 | -64.1 | 175.3 | 0 | 0 | 0 | 108 | T47 A63 F65 L71 S72 F77 L171 | T47-L92 HydrophobicContact CG2-CD2 4.36Å; A63-L92 HydrophobicContact CB-CD1 3.85Å; A63-L92 HydrophobicContact CB-CD2 4.24Å; A63-L92 HydrophobicContact CB-CG 4.05Å; F65-L92 HydrophobicContact CB-CD1 4.45Å; F65-L92 HydrophobicContact CD1-CD1 4.38Å; L71-L92 CarbonylContact C-O 3.52Å; L71-L92 HydrophobicContact CB-CB 3.66Å; L71-L92 HydrophobicContact CD2-CD1 4.27Å; L71-L92 HydrophobicContact CG-CB 4.47Å; S72-L92 VanDerWaalsContact CA-O 3.3Å; S72-L92 WeakPolarHBondContact CA-O 3.36Å; S72-L92 PolarHBondContact N-O 3.06Å; S72-L92 VanDerWaalsContact N-O 3.15Å; F77-L92 HydrophobicContact CD1-CG 4.49Å; F77-L92 HydrophobicContact CE1-CD2 3.97Å; F77-L92 HydrophobicContact CE1-CG 4.04Å; L92-L171 HydrophobicContact CD2-CD1 3.71Å; L92-L171 HydrophobicContact CD2-CD2 3.76Å; L92-L171 HydrophobicContact CD2-CG 4.41Å | ||
| 93 | Q | 79.1 | Confident | 80.9 | Confident | 136 Ų | 136 | 62.9 Ų | 62.9 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | trans | -94.8 | 135.5 | -174.9 | -67.8 | -65.8 | -25.8 | 0 | 0 | 111 | Y91 A165 | Y91-Q93 PolarHBondContact O-N 3.29Å; Q93-A165 WeakPolarHBondContact O-CB 3.36Å | ||
| 94 | G | 81.3 | Confident | 82.1 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | trans | 122.4 | 145 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | L71 | L71-G94 VanDerWaalsContact CB-O 3.3Å; L71-G94 WeakPolarHBondContact CB-O 3.32Å; L71-G94 PolarHBondContact N-O 3.35Å; L71-G94 VanDerWaalsContact N-O 3.13Å | ||
| 95 | D | 88 | Confident | 83.7 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -120.9 | 110 | 168.7 | -174.3 | -4.8 | 0 | 0 | 0 | 108.6 | S97 | D95-S97 VanDerWaalsContact OD1-CB 3.23Å; D95-S97 WeakPolarHBondContact OD1-CB 3.39Å; D95-S97 PolarHBondContact OD1-N 2.93Å; D95-S97 PolarHBondContact OD1-OG 3.22Å |
| 96 | Y | 90.2 | Very high | 85.2 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -112.8 | 17.1 | 179.5 | -53.6 | -67 | 0 | 0 | 0 | 112 | F69 L71 A100 D161 V162 A165 | F69-Y96 PolarHBondContact O-N 3.47Å; L71-Y96 HydrophobicContact CD1-CD2 4.07Å; L71-Y96 HydrophobicContact CD1-CE2 3.8Å; Y96-A100 PolarHBondContact O-N 2.99Å; Y96-D161 HydrophobicContact CD1-CB 3.83Å; Y96-D161 HydrophobicContact CE1-CB 3.25Å; Y96-D161 HydrophobicContact CE2-CB 4.19Å; Y96-D161 VanDerWaalsContact CZ-CB 3.45Å; Y96-V162 HydrophobicContact CD2-CG2 3.53Å; Y96-V162 HydrophobicContact CE2-CG2 4.34Å; Y96-V162 HydrophobicContact CG-CG2 3.91Å; Y96-A165 HydrophobicContact CE2-CB 4.11Å | ||
| 97 | S | 92.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | -175.2 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | P68 R70 D95 S99 A100 E101 | P68-S97 WeakPolarHBondContact O-CA 3.42Å; P68-S97 WeakPolarHBondContact O-CB 3.34Å; P68-S97 PolarHBondContact O-N 3.43Å; R70-S97 PolarHBondContact NE-OG 3Å; D95-S97 VanDerWaalsContact OD1-CB 3.23Å; D95-S97 WeakPolarHBondContact OD1-CB 3.39Å; D95-S97 PolarHBondContact OD1-N 2.93Å; D95-S97 PolarHBondContact OD1-OG 3.22Å; S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact O-N 3.31Å; S97-A100 PolarHBondContact O-N 2.88Å; S97-A100 VanDerWaalsContact O-N 3.17Å; S97-E101 VanDerWaalsContact O-CB 3.28Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 VanDerWaalsContact O-CG 3.28Å; S97-E101 WeakPolarHBondContact O-CG 3.13Å; S97-E101 PolarHBondContact O-N 3.41Å |
| 98 | S | 93.7 | Very high | 88 | Confident | 91 Ų | 91 | 49 Ų | 49 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.5 | -44.2 | -179.2 | 179.6 | 0 | 0 | 0 | 0 | 112.8 | F102 | S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.04Å |
| 99 | S | 94.3 | Very high | 89.2 | Confident | 34 Ų | 34 | 48.8 Ų | 48.8 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 179.8 | -60.4 | 0 | 0 | 0 | 0 | 112 | S97 Y103 | S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact O-N 3.31Å; S99-Y103 WeakPolarHBondContact O-CB 3.22Å; S99-Y103 PolarHBondContact O-N 3.41Å; S99-Y103 VanDerWaalsContact O-N 3.15Å |
| 100 | A | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y67 F69 Y96 S97 Y103 V104 W155 | Y67-A100 HydrophobicContact CD2-CB 4.09Å; Y67-A100 HydrophobicContact CE2-CB 3.84Å; F69-A100 HydrophobicContact CD2-CB 3.65Å; F69-A100 HydrophobicContact CE2-CB 4Å; Y96-A100 PolarHBondContact O-N 2.99Å; S97-A100 PolarHBondContact O-N 2.88Å; S97-A100 VanDerWaalsContact O-N 3.17Å; A100-Y103 PolarHBondContact O-N 2.89Å; A100-V104 WeakPolarHBondContact O-CB 3.06Å; A100-V104 WeakPolarHBondContact O-CG2 3.5Å; A100-V104 PolarHBondContact O-N 3.41Å; A100-W155 HydrophobicContact CB-CE3 3.86Å; A100-W155 HydrophobicContact CB-CH2 4.34Å; A100-W155 HydrophobicContact CB-CZ3 3.6Å |
| 101 | E | 95.3 | Very high | 91.6 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 179 | -71.2 | 174.1 | -179.8 | 0 | 0 | 111.3 | Y67 P68 R70 S97 S105 | Y67-E101 WeakPolarHBondContact OH-CA 3.32Å; P68-E101 HydrophobicContact CB-CG 3.92Å; P68-E101 WeakPolarHBondContact CB-OE1 3.46Å; R70-E101 IonicContact CZ-OE1 3.93Å; R70-E101 IonicContact NH2-OE1 2.94Å; R70-E101 PolarHBondContact NH2-OE1 2.82Å; S97-E101 VanDerWaalsContact O-CB 3.28Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 VanDerWaalsContact O-CG 3.28Å; S97-E101 WeakPolarHBondContact O-CG 3.13Å; S97-E101 PolarHBondContact O-N 3.41Å; E101-S105 WeakPolarHBondContact O-CB 3.44Å; E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 3.49Å |
| 102 | F | 96.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 173.9 | 177.9 | -126.5 | 0 | 0 | 0 | 111.7 | S98 S105 V106 L147 V150 S151 | S98-F102 WeakPolarHBondContact O-CB 3.49Å; S98-F102 PolarHBondContact O-N 3.04Å; F102-S105 PolarHBondContact O-N 3.09Å; F102-V106 HydrophobicContact CD2-CG2 4.16Å; F102-V106 HydrophobicContact CE2-CG2 3.76Å; F102-V106 HydrophobicContact CZ-CG2 4.08Å; F102-V106 WeakPolarHBondContact O-CG2 3.34Å; F102-V106 PolarHBondContact O-N 2.81Å; F102-L147 HydrophobicContact CE2-CD2 4.33Å; F102-L147 HydrophobicContact CZ-CD2 4.15Å; F102-V150 HydrophobicContact CE1-CB 4.4Å; F102-V150 HydrophobicContact CE1-CG1 4.01Å; F102-V150 HydrophobicContact CZ-CG1 4.46Å; F102-S151 VanDerWaalsContact CE1-CA 3.45Å; F102-S151 VanDerWaalsContact CE1-CB 3.45Å |
| 103 | Y | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.8 | -177.9 | -107.4 | 0 | 0 | 0 | 113.3 | A36 T40 S99 A100 S105 V106 G107 W148 W155 S193 G197 | A36-Y103 HydrophobicContact CB-CE1 4.3Å; A36-Y103 VanDerWaalsContact CB-OH 3.22Å; A36-Y103 WeakPolarHBondContact CB-OH 3.06Å; T40-Y103 HydrophobicContact CG2-CD1 4.36Å; T40-Y103 WeakPolarHBondContact OG1-CE1 3.2Å; S99-Y103 WeakPolarHBondContact O-CB 3.22Å; S99-Y103 PolarHBondContact O-N 3.41Å; S99-Y103 VanDerWaalsContact O-N 3.15Å; A100-Y103 PolarHBondContact O-N 2.89Å; Y103-S105 VanDerWaalsContact C-N 3.32Å; Y103-S105 PolarHBondContact O-N 3.36Å; Y103-V106 PolarHBondContact O-N 2.94Å; Y103-G107 PolarHBondContact O-N 3.43Å; Y103-W148 HydrophobicContact CD2-CZ3 4.41Å; Y103-W148 HydrophobicContact CE2-CE3 4.05Å; Y103-W148 AromaticContact CE2-CZ3 3.57Å; Y103-W148 HydrophobicContact CE2-CZ3 3.57Å; Y103-W148 AromaticContact CZ-CZ3 3.86Å; Y103-W155 HydrophobicContact CD1-CB 4.36Å; Y103-W155 AromaticContact CD1-CD1 3.7Å; Y103-W155 AromaticContact CD1-CG 3.99Å; Y103-W155 HydrophobicContact CD1-CG 3.99Å; Y103-W155 HydrophobicContact CD2-CB 4.01Å; Y103-W155 HydrophobicContact CD2-CG 4.43Å; Y103-W155 AromaticContact CE1-CD1 3.8Å; Y103-W155 HydrophobicContact CG-CB 3.81Å; Y103-W155 AromaticContact CG-CG 3.95Å; Y103-W155 HydrophobicContact CG-CG 3.95Å; Y103-S193 PolarHBondContact OH-O 2.68Å; Y103-G197 WeakPolarHBondContact OH-CA 3.34Å; Y103-G197 PolarHBondContact OH-N 3.49Å; Y103-G197 VanDerWaalsContact OH-N 3.1Å |
| 104 | V | 96.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 111 | F37 T40 Y67 A100 G107 V108 | F37-V104 HydrophobicContact CB-CG1 4.34Å; T40-V104 HydrophobicContact CG2-CG2 3.99Å; Y67-V104 HydrophobicContact CD2-CG2 4.35Å; Y67-V104 HydrophobicContact CE2-CB 4.19Å; Y67-V104 HydrophobicContact CE2-CG2 3.57Å; A100-V104 WeakPolarHBondContact O-CB 3.06Å; A100-V104 WeakPolarHBondContact O-CG2 3.5Å; A100-V104 PolarHBondContact O-N 3.41Å; V104-G107 PolarHBondContact O-N 3.36Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.13Å; V104-V108 PolarHBondContact O-N 2.87Å |
| 105 | S | 96.2 | Very high | 94.4 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | E101 F102 Y103 G107 V108 L109 | E101-S105 WeakPolarHBondContact O-CB 3.44Å; E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 3.49Å; F102-S105 PolarHBondContact O-N 3.09Å; Y103-S105 VanDerWaalsContact C-N 3.32Å; Y103-S105 PolarHBondContact O-N 3.36Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 3.25Å; S105-V108 PolarHBondContact O-N 2.93Å; S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 WeakPolarHBondContact O-CG 3.07Å; S105-L109 PolarHBondContact O-N 3.1Å |
| 106 | V | 96.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | F102 Y103 G110 L147 W148 | F102-V106 HydrophobicContact CD2-CG2 4.16Å; F102-V106 HydrophobicContact CE2-CG2 3.76Å; F102-V106 HydrophobicContact CZ-CG2 4.08Å; F102-V106 WeakPolarHBondContact O-CG2 3.34Å; F102-V106 PolarHBondContact O-N 2.81Å; Y103-V106 PolarHBondContact O-N 2.94Å; V106-G110 PolarHBondContact O-N 2.9Å; V106-L147 HydrophobicContact CG1-CB 3.87Å; V106-L147 HydrophobicContact CG2-CB 4.08Å; V106-L147 HydrophobicContact CG2-CD2 4.43Å; V106-W148 HydrophobicContact CG1-CD2 4.24Å; V106-W148 HydrophobicContact CG1-CG 4.48Å |
| 107 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T33 Y103 V104 S105 L109 G110 F111 | T33-G107 WeakPolarHBondContact CG2-O 3.42Å; Y103-G107 PolarHBondContact O-N 3.43Å; V104-G107 PolarHBondContact O-N 3.36Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 3.25Å; G107-L109 PolarHBondContact O-N 3.39Å; G107-G110 PolarHBondContact O-N 3.24Å; G107-F111 PolarHBondContact O-N 3.33Å |
| 108 | V | 96.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | F37 V104 S105 F111 L112 | F37-V108 HydrophobicContact CD1-CG2 4.5Å; F37-V108 HydrophobicContact CD2-CG2 4.23Å; F37-V108 HydrophobicContact CG-CG2 4.24Å; V104-V108 HydrophobicContact CG1-CG2 4.35Å; V104-V108 WeakPolarHBondContact O-CG2 3.13Å; V104-V108 PolarHBondContact O-N 2.87Å; S105-V108 PolarHBondContact O-N 2.93Å; V108-F111 PolarHBondContact O-N 2.63Å; V108-L112 HydrophobicContact CG1-CD1 4.46Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.98Å; V108-L112 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 96.4 | Very high | 93.8 | Very high | 98 Ų | 98 | 38.2 Ų | 38.2 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.3 | -68.6 | 175.2 | 0 | 0 | 0 | 111.9 | S105 G107 F111 L112 Y113 F144 | S105-L109 WeakPolarHBondContact O-CB 3.26Å; S105-L109 WeakPolarHBondContact O-CG 3.07Å; S105-L109 PolarHBondContact O-N 3.1Å; G107-L109 PolarHBondContact O-N 3.39Å; L109-F111 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 2.91Å; L109-Y113 WeakPolarHBondContact O-CB 3.16Å; L109-Y113 PolarHBondContact O-N 3.33Å; L109-F144 HydrophobicContact CB-CE1 3.89Å; L109-F144 HydrophobicContact CB-CZ 3.93Å |
| 110 | G | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V106 G107 L112 Y113 C114 | V106-G110 PolarHBondContact O-N 2.9Å; G107-G110 PolarHBondContact O-N 3.24Å; G110-L112 PolarHBondContact O-N 3.21Å; G110-Y113 PolarHBondContact O-N 3.08Å; G110-C114 PolarHBondContact O-N 3.47Å; G110-C114 PolarHBondContact O-SG 3.19Å |
| 111 | F | 95.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 176.5 | 164.6 | -96.5 | 0 | 0 | 0 | 112.3 | W30 T33 I34 F37 G107 V108 L109 Y113 C114 T115 | W30-F111 AromaticContact CD1-CD2 3.61Å; W30-F111 AromaticContact CD1-CE2 3.86Å; W30-F111 AromaticContact CE2-CE2 3.67Å; W30-F111 AromaticContact CZ2-CE2 3.99Å; W30-F111 HydrophobicContact CZ2-CE2 3.99Å; W30-F111 AromaticContact NE1-CD2 3.32Å; W30-F111 VanDerWaalsContact NE1-CD2 3.32Å; W30-F111 AromaticContact NE1-CE2 3.05Å; W30-F111 AromaticContact NE1-CZ 3.98Å; T33-F111 HydrophobicContact CG2-CB 3.96Å; I34-F111 HydrophobicContact CD1-CD2 4.01Å; I34-F111 HydrophobicContact CD1-CE2 3.89Å; I34-F111 HydrophobicContact CG1-CD2 3.67Å; I34-F111 HydrophobicContact CG1-CE2 3.98Å; F37-F111 HydrophobicContact CE1-CB 4.03Å; F37-F111 HydrophobicContact CE1-CG 4.33Å; G107-F111 PolarHBondContact O-N 3.33Å; V108-F111 PolarHBondContact O-N 2.63Å; L109-F111 PolarHBondContact O-N 2.98Å; F111-Y113 VanDerWaalsContact C-N 3.32Å; F111-Y113 PolarHBondContact O-N 3.23Å; F111-C114 PolarHBondContact O-N 3.06Å; F111-T115 WeakPolarHBondContact O-CB 2.84Å; F111-T115 PolarHBondContact O-N 3.3Å; F111-T115 PolarHBondContact O-OG1 2.8Å |
| 112 | L | 95.4 | Very high | 92 | Very high | 98 Ų | 98 | 39.2 Ų | 39.2 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.6 | -68.8 | 175.3 | 0 | 0 | 0 | 111.1 | V108 L109 G110 T115 A116 | V108-L112 HydrophobicContact CG1-CD1 4.46Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.98Å; V108-L112 VanDerWaalsContact O-N 3.1Å; L109-L112 PolarHBondContact O-N 2.91Å; G110-L112 PolarHBondContact O-N 3.21Å; L112-T115 PolarHBondContact O-N 3.2Å; L112-A116 PolarHBondContact O-N 2.64Å |
| 113 | Y | 94.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 176.5 | -178 | -100.2 | 0 | 0 | 0 | 112.8 | L109 G110 F111 T115 A116 T117 D137 V140 F144 W204 | L109-Y113 WeakPolarHBondContact O-CB 3.16Å; L109-Y113 PolarHBondContact O-N 3.33Å; G110-Y113 PolarHBondContact O-N 3.08Å; F111-Y113 VanDerWaalsContact C-N 3.32Å; F111-Y113 PolarHBondContact O-N 3.23Å; Y113-T115 VanDerWaalsContact C-N 3.26Å; Y113-T115 PolarHBondContact O-N 3.08Å; Y113-A116 PolarHBondContact O-N 3.36Å; Y113-T117 HydrophobicContact CD1-CG2 4.09Å; Y113-T117 HydrophobicContact CD2-CG2 4.31Å; Y113-T117 HydrophobicContact CE1-CG2 3.6Å; Y113-T117 HydrophobicContact CE2-CG2 3.82Å; Y113-T117 HydrophobicContact CG-CG2 4.45Å; Y113-T117 VanDerWaalsContact CZ-CG2 3.46Å; Y113-T117 WeakPolarHBondContact O-CG2 3.48Å; Y113-T117 PolarHBondContact O-N 2.97Å; Y113-T117 PolarHBondContact O-OG1 3.1Å; Y113-D137 WeakPolarHBondContact OH-CA 3.33Å; Y113-D137 PolarHBondContact OH-O 3.5Å; Y113-D137 PolarHBondContact OH-OD1 3.37Å; Y113-V140 HydrophobicContact CD2-CG1 3.67Å; Y113-V140 HydrophobicContact CE1-CG1 4.19Å; Y113-V140 HydrophobicContact CE2-CB 3.81Å; Y113-V140 HydrophobicContact CE2-CG1 3.24Å; Y113-V140 HydrophobicContact CE2-CG2 4.43Å; Y113-V140 HydrophobicContact CG-CG1 4.28Å; Y113-F144 HydrophobicContact CD1-CD2 4.42Å; Y113-F144 HydrophobicContact CD1-CE2 4.33Å; Y113-F144 HydrophobicContact CD2-CE2 4.26Å; Y113-F144 HydrophobicContact CG-CD2 4.41Å; Y113-F144 AromaticContact CG-CE2 3.88Å; Y113-F144 HydrophobicContact CG-CE2 3.88Å; Y113-W204 AromaticContact CD1-CH2 3.5Å; Y113-W204 HydrophobicContact CD1-CH2 3.5Å; Y113-W204 VanDerWaalsContact CD1-CH2 3.5Å; Y113-W204 AromaticContact CD1-CZ3 3.74Å; Y113-W204 HydrophobicContact CD1-CZ3 3.74Å; Y113-W204 HydrophobicContact CE1-CH2 4.17Å; Y113-W204 AromaticContact CE1-CZ3 3.94Å; Y113-W204 HydrophobicContact CE1-CZ3 3.94Å; Y113-W204 HydrophobicContact CG-CH2 4.31Å |
| 114 | C | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.2 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | W30 G110 F111 T117 L118 | W30-C114 HydrophobicContact CB-CB 3.83Å; W30-C114 HydrophobicContact CG-CB 4.27Å; G110-C114 PolarHBondContact O-N 3.47Å; G110-C114 PolarHBondContact O-SG 3.19Å; F111-C114 PolarHBondContact O-N 3.06Å; C114-T117 WeakPolarHBondContact CA-OG1 3.27Å; C114-T117 PolarHBondContact O-OG1 2.65Å; C114-T117 VanDerWaalsContact O-OG1 3.06Å; C114-L118 VanDerWaalsContact O-CB 3.28Å; C114-L118 WeakPolarHBondContact O-CB 3.42Å; C114-L118 WeakPolarHBondContact O-CD1 3.43Å; C114-L118 WeakPolarHBondContact O-CG 3.05Å; C114-L118 PolarHBondContact O-N 3.43Å |
| 115 | T | 91.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | W30 F111 L112 Y113 L118 V119 | W30-T115 PolarHBondContact NE1-OG1 3.4Å; F111-T115 WeakPolarHBondContact O-CB 2.84Å; F111-T115 PolarHBondContact O-N 3.3Å; F111-T115 PolarHBondContact O-OG1 2.8Å; L112-T115 PolarHBondContact O-N 3.2Å; Y113-T115 VanDerWaalsContact C-N 3.26Å; Y113-T115 PolarHBondContact O-N 3.08Å; T115-L118 PolarHBondContact O-N 3.43Å; T115-V119 WeakPolarHBondContact O-CG2 3.34Å; T115-V119 PolarHBondContact O-N 3.37Å; T115-V119 VanDerWaalsContact O-N 3.09Å |
| 116 | A | 90.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 40.3 Ų | 40.3 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L112 Y113 V119 L120 | L112-A116 PolarHBondContact O-N 2.64Å; Y113-A116 PolarHBondContact O-N 3.36Å; A116-V119 PolarHBondContact O-N 3.49Å; A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.28Å |
| 117 | T | 87.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | R26 Y113 C114 V119 L120 Y121 | R26-T117 WeakPolarHBondContact CD-OG1 3.14Å; Y113-T117 HydrophobicContact CD1-CG2 4.09Å; Y113-T117 HydrophobicContact CD2-CG2 4.31Å; Y113-T117 HydrophobicContact CE1-CG2 3.6Å; Y113-T117 HydrophobicContact CE2-CG2 3.82Å; Y113-T117 HydrophobicContact CG-CG2 4.45Å; Y113-T117 VanDerWaalsContact CZ-CG2 3.46Å; Y113-T117 WeakPolarHBondContact O-CG2 3.48Å; Y113-T117 PolarHBondContact O-N 2.97Å; Y113-T117 PolarHBondContact O-OG1 3.1Å; C114-T117 WeakPolarHBondContact CA-OG1 3.27Å; C114-T117 PolarHBondContact O-OG1 2.65Å; C114-T117 VanDerWaalsContact O-OG1 3.06Å; T117-V119 PolarHBondContact O-N 3.34Å; T117-L120 PolarHBondContact O-N 3.5Å; T117-Y121 WeakPolarHBondContact O-CB 3.01Å; T117-Y121 WeakPolarHBondContact O-CD1 3.49Å; T117-Y121 VanDerWaalsContact O-CG 3.26Å; T117-Y121 PolarHBondContact O-N 3.26Å |
| 118 | L | 87.1 | Confident | 85.8 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 173.2 | -75.3 | 169 | 0 | 0 | 0 | 112 | L18 R26 V27 W30 C114 T115 L120 Y121 L122 | L18-L118 HydrophobicContact CD2-CD2 4.2Å; R26-L118 HydrophobicContact CB-CD2 4.26Å; R26-L118 HydrophobicContact CG-CD2 4.14Å; R26-L118 HydrophobicContact CG-CG 4.09Å; V27-L118 HydrophobicContact CG2-CD1 4.33Å; V27-L118 HydrophobicContact CG2-CD2 3.69Å; W30-L118 HydrophobicContact CB-CD1 4.31Å; W30-L118 HydrophobicContact CG-CD1 4.3Å; C114-L118 VanDerWaalsContact O-CB 3.28Å; C114-L118 WeakPolarHBondContact O-CB 3.42Å; C114-L118 WeakPolarHBondContact O-CD1 3.43Å; C114-L118 WeakPolarHBondContact O-CG 3.05Å; C114-L118 PolarHBondContact O-N 3.43Å; T115-L118 PolarHBondContact O-N 3.43Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 2.91Å; L118-Y121 PolarHBondContact O-N 3.1Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 2.98Å; L118-L122 PolarHBondContact O-N 3.48Å |
| 119 | V | 86.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | T115 A116 T117 G123 | T115-V119 WeakPolarHBondContact O-CG2 3.34Å; T115-V119 PolarHBondContact O-N 3.37Å; T115-V119 VanDerWaalsContact O-N 3.09Å; A116-V119 PolarHBondContact O-N 3.49Å; T117-V119 PolarHBondContact O-N 3.34Å; V119-G123 WeakPolarHBondContact O-CA 3.48Å; V119-G123 PolarHBondContact O-N 2.97Å |
| 120 | L | 83.9 | Confident | 83.4 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.9 | -70.3 | 173.7 | 0 | 0 | 0 | 112.1 | A116 T117 L118 Y124 Q125 | A116-L120 WeakPolarHBondContact O-CG 3.44Å; A116-L120 PolarHBondContact O-N 3.28Å; T117-L120 PolarHBondContact O-N 3.5Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 2.91Å; L120-Y124 CarbonylContact O-C 3.12Å; L120-Y124 WeakPolarHBondContact O-CA 3.09Å; L120-Y124 PolarHBondContact O-N 3.25Å; L120-Q125 PolarHBondContact O-N 3.49Å |
| 121 | Y | 80.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | -179.8 | -70.7 | 0.8 | 0 | 0 | 0 | 112.1 | L22 R26 T117 L118 Y128 D137 | L22-Y121 HydrophobicContact CD2-CE2 4.09Å; L22-Y121 HydrophobicContact CG-CE2 3.95Å; R26-Y121 HydrophobicContact CG-CE2 4.46Å; T117-Y121 WeakPolarHBondContact O-CB 3.01Å; T117-Y121 WeakPolarHBondContact O-CD1 3.49Å; T117-Y121 VanDerWaalsContact O-CG 3.26Å; T117-Y121 PolarHBondContact O-N 3.26Å; L118-Y121 PolarHBondContact O-N 3.1Å; Y121-Y128 HydrophobicContact CD1-CD1 4.2Å; Y121-Y128 HydrophobicContact CD1-CD2 4.34Å; Y121-Y128 HydrophobicContact CD1-CE1 4.29Å; Y121-Y128 HydrophobicContact CD1-CE2 4.45Å; Y121-Y128 HydrophobicContact CD1-CG 4.22Å; Y121-Y128 HydrophobicContact CE1-CD1 4.01Å; Y121-Y128 AromaticContact CE1-CD2 3.88Å; Y121-Y128 HydrophobicContact CE1-CD2 3.88Å; Y121-Y128 AromaticContact CE1-CE1 3.69Å; Y121-Y128 HydrophobicContact CE1-CE1 3.69Å; Y121-Y128 AromaticContact CE1-CE2 3.58Å; Y121-Y128 HydrophobicContact CE1-CE2 3.58Å; Y121-Y128 HydrophobicContact CE1-CG 4.1Å; Y121-Y128 AromaticContact CE1-CZ 3.47Å; Y121-Y128 VanDerWaalsContact CE1-CZ 3.47Å; Y121-Y128 AromaticContact CZ-CZ 4Å; Y121-Y128 PolarHBondContact OH-OH 3.4Å; Y121-D137 PolarHBondContact OH-OD2 3.18Å |
| 122 | L | 80.4 | Confident | 81.2 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81 | -32.7 | -175.8 | -67.1 | 176.5 | 0 | 0 | 0 | 113.4 | L13 D14 L15 L18 L118 | L13-L122 WeakPolarHBondContact CA-O 3.49Å; D14-L122 PolarHBondContact N-O 2.87Å; D14-L122 VanDerWaalsContact O-CD2 3.22Å; D14-L122 WeakPolarHBondContact O-CD2 3.38Å; L15-L122 HydrophobicContact CD2-CD2 4.14Å; L18-L122 HydrophobicContact CD1-CD2 3.87Å; L18-L122 HydrophobicContact CD2-CD2 4.17Å; L18-L122 HydrophobicContact CG-CD2 3.7Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 2.98Å; L118-L122 PolarHBondContact O-N 3.48Å |
| 123 | G | 77.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -108 | -26.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F11 R12 V119 | F11-G123 VanDerWaalsContact CE2-CA 3.43Å; R12-G123 PolarHBondContact N-O 3.22Å; V119-G123 WeakPolarHBondContact O-CA 3.48Å; V119-G123 PolarHBondContact O-N 2.97Å |
| 124 | Y | 76.1 | Confident | 80.1 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 12% | 0.122 | 29% | 0.293 | C | S | . | . | trans | -137.8 | 38.8 | -167.9 | -65.5 | -79.6 | 0 | 0 | 0 | 112.6 | L7 F11 L120 H126 V127 Y128 | L7-Y124 VanDerWaalsContact C-OH 3.25Å; L7-Y124 WeakPolarHBondContact CA-OH 3.48Å; L7-Y124 HydrophobicContact CD2-CE2 4.17Å; L7-Y124 WeakPolarHBondContact CD2-OH 3.5Å; L7-Y124 PolarHBondContact O-OH 3.41Å; F11-Y124 HydrophobicContact CD2-CE2 4.29Å; L120-Y124 CarbonylContact O-C 3.12Å; L120-Y124 WeakPolarHBondContact O-CA 3.09Å; L120-Y124 PolarHBondContact O-N 3.25Å; Y124-H126 PolarHBondContact O-N 3.11Å; Y124-H126 VanDerWaalsContact O-N 3.15Å; Y124-V127 HydrophobicContact CD1-CG2 4.16Å; Y124-V127 WeakPolarHBondContact O-CB 3.41Å; Y124-V127 PolarHBondContact O-N 3.28Å; Y124-Y128 PolarHBondContact O-N 3.14Å | ||
| 125 | Q | 73.8 | Confident | 79.7 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -34.4 | -176.1 | -166.9 | 179.1 | -1.8 | 0 | 0 | 113.4 | L120 Y128 R129 | L120-Q125 PolarHBondContact O-N 3.49Å; Q125-Y128 PolarHBondContact O-N 2.93Å; Q125-R129 PolarHBondContact O-N 2.89Å |
| 126 | H | 71.3 | Confident | 79.6 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.9 | 64.1 | -79.7 | 0 | 0 | 0 | 111.9 | Y124 Y128 R129 E130 | Y124-H126 PolarHBondContact O-N 3.11Å; Y124-H126 VanDerWaalsContact O-N 3.15Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.24Å; H126-R129 PolarHBondContact O-N 2.58Å; H126-E130 WeakPolarHBondContact O-CB 3.44Å; H126-E130 WeakPolarHBondContact O-CG 3.27Å; H126-E130 PolarHBondContact O-N 3.38Å |
| 127 | V | 75.7 | Confident | 79.6 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.1 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | Y124 | Y124-V127 HydrophobicContact CD1-CG2 4.16Å; Y124-V127 WeakPolarHBondContact O-CB 3.41Å; Y124-V127 PolarHBondContact O-N 3.28Å |
| 128 | Y | 73.6 | Confident | 79.7 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.7 | 178.7 | -109.5 | 0 | 0 | 0 | 111.8 | L22 Y121 Y124 Q125 H126 P134 D137 | L22-Y128 HydrophobicContact CD2-CE1 4.44Å; Y121-Y128 HydrophobicContact CD1-CD1 4.2Å; Y121-Y128 HydrophobicContact CD1-CD2 4.34Å; Y121-Y128 HydrophobicContact CD1-CE1 4.29Å; Y121-Y128 HydrophobicContact CD1-CE2 4.45Å; Y121-Y128 HydrophobicContact CD1-CG 4.22Å; Y121-Y128 HydrophobicContact CE1-CD1 4.01Å; Y121-Y128 AromaticContact CE1-CD2 3.88Å; Y121-Y128 HydrophobicContact CE1-CD2 3.88Å; Y121-Y128 AromaticContact CE1-CE1 3.69Å; Y121-Y128 HydrophobicContact CE1-CE1 3.69Å; Y121-Y128 AromaticContact CE1-CE2 3.58Å; Y121-Y128 HydrophobicContact CE1-CE2 3.58Å; Y121-Y128 HydrophobicContact CE1-CG 4.1Å; Y121-Y128 AromaticContact CE1-CZ 3.47Å; Y121-Y128 VanDerWaalsContact CE1-CZ 3.47Å; Y121-Y128 AromaticContact CZ-CZ 4Å; Y121-Y128 PolarHBondContact OH-OH 3.4Å; Y124-Y128 PolarHBondContact O-N 3.14Å; Q125-Y128 PolarHBondContact O-N 2.93Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.24Å; Y128-P134 HydrophobicContact CE1-CG 4.24Å; Y128-P134 HydrophobicContact CE2-CG 4.4Å; Y128-P134 WeakPolarHBondContact O-CD 3.39Å; Y128-D137 HydrophobicContact CE2-CB 4.13Å; Y128-D137 PolarHBondContact OH-OD2 3.48Å |
| 129 | R | 72.1 | Confident | 80 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -85.2 | -30 | -176.4 | -80.1 | -174.2 | 164.1 | 164.8 | 1.5 | 115.3 | E20 Q125 H126 G131 | E20-R129 IonicContact OE1-NH2 2.66Å; Q125-R129 PolarHBondContact O-N 2.89Å; H126-R129 PolarHBondContact O-N 2.58Å; R129-G131 VanDerWaalsContact C-N 3.3Å; R129-G131 PolarHBondContact O-N 3.18Å |
| 130 | E | 69.1 | Low | 80.3 | Confident | 167 Ų | 167 | 62.3 Ų | 62.3 | 78% | 0.78 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -81.7 | -2.3 | -174.2 | -72.3 | 177.8 | 172.3 | 0 | 0 | 114.3 | H126 | H126-E130 WeakPolarHBondContact O-CB 3.44Å; H126-E130 WeakPolarHBondContact O-CG 3.27Å; H126-E130 PolarHBondContact O-N 3.38Å |
| 131 | G | 69.9 | Low | 80.8 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -132.7 | -159.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R129 G133 | R129-G131 VanDerWaalsContact C-N 3.3Å; R129-G131 PolarHBondContact O-N 3.18Å; G131-G133 PolarHBondContact O-N 3.46Å |
| 132 | R | 75.8 | Confident | 81.5 | Confident | 210 Ų | 210 | 60.4 Ų | 60.4 | 79% | 0.792 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79 | 15 | 176 | -58 | 178.9 | 77.2 | 139 | 1.4 | 113.4 | T135 F136 | R132-T135 PolarHBondContact O-N 3Å; R132-F136 PolarHBondContact O-N 2.88Å |
| 133 | G | 81.7 | Confident | 82.3 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52 | -52.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G131 T135 F136 D137 | G131-G133 PolarHBondContact O-N 3.46Å; G133-T135 VanDerWaalsContact C-N 3.32Å; G133-T135 PolarHBondContact O-N 3.42Å; G133-F136 PolarHBondContact O-N 3.27Å; G133-D137 WeakPolarHBondContact O-CB 3.45Å; G133-D137 PolarHBondContact O-N 3.37Å |
| 134 | P | 83.6 | Confident | 83.2 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | -177.5 | -22.2 | 35.5 | 0 | 0 | 0 | 112.8 | Y128 L138 I211 E214 T215 | Y128-P134 HydrophobicContact CE1-CG 4.24Å; Y128-P134 HydrophobicContact CE2-CG 4.4Å; Y128-P134 WeakPolarHBondContact O-CD 3.39Å; P134-L138 WeakPolarHBondContact O-CB 3.38Å; P134-L138 PolarHBondContact O-N 2.95Å; P134-I211 VanDerWaalsContact O-CG2 3.28Å; P134-I211 WeakPolarHBondContact O-CG2 3.5Å; P134-E214 HydrophobicContact CB-CB 4.2Å; P134-T215 HydrophobicContact CB-CG2 4.17Å |
| 135 | T | 84.9 | Confident | 84.2 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | R132 G133 L138 L139 F217 | R132-T135 PolarHBondContact O-N 3Å; G133-T135 VanDerWaalsContact C-N 3.32Å; G133-T135 PolarHBondContact O-N 3.42Å; T135-L138 PolarHBondContact O-N 3.22Å; T135-L139 WeakPolarHBondContact O-CG 3.34Å; T135-L139 PolarHBondContact O-N 3.16Å; T135-L139 VanDerWaalsContact O-N 3.16Å; T135-F217 HydrophobicContact CG2-CE2 3.78Å; T135-F217 HydrophobicContact CG2-CZ 4.08Å |
| 136 | F | 88.5 | Confident | 85.3 | Confident | 136 Ų | 136 | 65.6 Ų | 65.6 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 175.8 | -179.7 | -97.8 | 0 | 0 | 0 | 111.2 | R132 G133 L138 L139 V140 | R132-F136 PolarHBondContact O-N 2.88Å; G133-F136 PolarHBondContact O-N 3.27Å; F136-L138 VanDerWaalsContact C-N 3.28Å; F136-L138 PolarHBondContact O-N 3.24Å; F136-L139 PolarHBondContact O-N 3.11Å; F136-V140 HydrophobicContact CD1-CG2 4.14Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.66Å; F136-V140 HydrophobicContact CE2-CG2 3.97Å; F136-V140 HydrophobicContact CZ-CG2 3.57Å; F136-V140 WeakPolarHBondContact O-CG2 3.35Å; F136-V140 PolarHBondContact O-N 3.05Å |
| 137 | D | 90.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 176.9 | -174.5 | 49.1 | 0 | 0 | 0 | 111.9 | R26 Y113 Y121 Y128 G133 T141 I211 | R26-D137 IonicContact CZ-OD1 3.81Å; R26-D137 IonicContact NH2-OD1 2.76Å; R26-D137 PolarHBondContact NH2-OD1 2.99Å; R26-D137 IonicContact NH2-OD2 3.65Å; R26-D137 PolarHBondContact NH2-OD2 2.91Å; Y113-D137 WeakPolarHBondContact OH-CA 3.33Å; Y113-D137 PolarHBondContact OH-O 3.5Å; Y113-D137 PolarHBondContact OH-OD1 3.37Å; Y121-D137 PolarHBondContact OH-OD2 3.18Å; Y128-D137 HydrophobicContact CE2-CB 4.13Å; Y128-D137 PolarHBondContact OH-OD2 3.48Å; G133-D137 WeakPolarHBondContact O-CB 3.45Å; G133-D137 PolarHBondContact O-N 3.37Å; D137-T141 WeakPolarHBondContact O-CB 3.21Å; D137-T141 PolarHBondContact O-N 3.48Å; D137-T141 PolarHBondContact O-OG1 2.99Å; D137-I211 HydrophobicContact CB-CG2 4.28Å; D137-I211 VanDerWaalsContact OD2-CD1 3.26Å; D137-I211 WeakPolarHBondContact OD2-CD1 3.43Å; D137-I211 WeakPolarHBondContact OD2-CG1 3.47Å |
| 138 | L | 90.8 | Very high | 87.5 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.3 | -178.9 | 62 | 0 | 0 | 0 | 111.9 | P134 T135 F136 T141 A142 C208 I211 F212 T215 | P134-L138 WeakPolarHBondContact O-CB 3.38Å; P134-L138 PolarHBondContact O-N 2.95Å; T135-L138 PolarHBondContact O-N 3.22Å; F136-L138 VanDerWaalsContact C-N 3.28Å; F136-L138 PolarHBondContact O-N 3.24Å; L138-T141 PolarHBondContact O-N 2.88Å; L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.16Å; L138-A142 PolarHBondContact O-N 2.84Å; L138-C208 HydrophobicContact CD1-CB 3.95Å; L138-C208 VanDerWaalsContact CD1-O 3.26Å; L138-C208 WeakPolarHBondContact CD1-O 3.46Å; L138-I211 HydrophobicContact CB-CB 4.49Å; L138-I211 HydrophobicContact CB-CG2 3.75Å; L138-I211 HydrophobicContact CD1-CB 4.24Å; L138-I211 HydrophobicContact CD1-CG2 4.4Å; L138-F212 HydrophobicContact CD1-CB 4.27Å; L138-F212 HydrophobicContact CD2-CB 4.25Å; L138-F212 HydrophobicContact CD2-CD2 3.96Å; L138-T215 HydrophobicContact CB-CG2 4.36Å; L138-T215 HydrophobicContact CD2-CG2 3.98Å |
| 139 | L | 93.1 | Very high | 88.6 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | -178.9 | -73.1 | 173.7 | 0 | 0 | 0 | 111.7 | T135 F136 A142 A143 | T135-L139 WeakPolarHBondContact O-CG 3.34Å; T135-L139 PolarHBondContact O-N 3.16Å; T135-L139 VanDerWaalsContact O-N 3.16Å; F136-L139 PolarHBondContact O-N 3.11Å; L139-A142 PolarHBondContact O-N 3.06Å; L139-A143 WeakPolarHBondContact O-CB 3.28Å; L139-A143 PolarHBondContact O-N 3.47Å |
| 140 | V | 94.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -41.5 | -180 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | Y113 F136 A142 A143 F144 | Y113-V140 HydrophobicContact CD2-CG1 3.67Å; Y113-V140 HydrophobicContact CE1-CG1 4.19Å; Y113-V140 HydrophobicContact CE2-CB 3.81Å; Y113-V140 HydrophobicContact CE2-CG1 3.24Å; Y113-V140 HydrophobicContact CE2-CG2 4.43Å; Y113-V140 HydrophobicContact CG-CG1 4.28Å; F136-V140 HydrophobicContact CD1-CG2 4.14Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.66Å; F136-V140 HydrophobicContact CE2-CG2 3.97Å; F136-V140 HydrophobicContact CZ-CG2 3.57Å; F136-V140 WeakPolarHBondContact O-CG2 3.35Å; F136-V140 PolarHBondContact O-N 3.05Å; V140-A142 VanDerWaalsContact C-N 3.32Å; V140-A142 PolarHBondContact O-N 3.46Å; V140-A143 PolarHBondContact O-N 3.18Å; V140-F144 HydrophobicContact CG1-CD2 3.65Å; V140-F144 HydrophobicContact CG1-CE2 3.63Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.91Å |
| 141 | T | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | R26 D137 L138 F144 A145 W204 N207 I211 | R26-T141 PolarHBondContact NH1-OG1 2.91Å; R26-T141 PolarHBondContact NH2-OG1 3.28Å; D137-T141 WeakPolarHBondContact O-CB 3.21Å; D137-T141 PolarHBondContact O-N 3.48Å; D137-T141 PolarHBondContact O-OG1 2.99Å; L138-T141 PolarHBondContact O-N 2.88Å; T141-F144 PolarHBondContact O-N 3.25Å; T141-A145 PolarHBondContact O-N 3.3Å; T141-W204 HydrophobicContact CG2-CE3 3.72Å; T141-W204 HydrophobicContact CG2-CZ3 4.35Å; T141-W204 WeakPolarHBondContact CG2-O 3.44Å; T141-N207 HydrophobicContact CG2-CB 4.23Å; T141-I211 HydrophobicContact CG2-CD1 3.75Å; T141-I211 WeakPolarHBondContact OG1-CD1 3.46Å |
| 142 | A | 95.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L138 L139 V140 F144 A145 F146 | L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.16Å; L138-A142 PolarHBondContact O-N 2.84Å; L139-A142 PolarHBondContact O-N 3.06Å; V140-A142 VanDerWaalsContact C-N 3.32Å; V140-A142 PolarHBondContact O-N 3.46Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.17Å; A142-A145 PolarHBondContact O-N 3.2Å; A142-F146 PolarHBondContact O-N 2.92Å; A142-F146 VanDerWaalsContact O-N 3.08Å |
| 143 | A | 96.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L139 V140 F146 L147 | L139-A143 WeakPolarHBondContact O-CB 3.28Å; L139-A143 PolarHBondContact O-N 3.47Å; V140-A143 PolarHBondContact O-N 3.18Å; A143-F146 PolarHBondContact O-N 3.3Å; A143-L147 WeakPolarHBondContact O-CG 3.47Å; A143-L147 PolarHBondContact O-N 3.27Å |
| 144 | F | 96.4 | Very high | 94 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 175.3 | -87.9 | -72.1 | 0 | 0 | 0 | 113.1 | L109 Y113 V140 T141 A142 F146 L147 W148 W204 | L109-F144 HydrophobicContact CB-CE1 3.89Å; L109-F144 HydrophobicContact CB-CZ 3.93Å; Y113-F144 HydrophobicContact CD1-CD2 4.42Å; Y113-F144 HydrophobicContact CD1-CE2 4.33Å; Y113-F144 HydrophobicContact CD2-CE2 4.26Å; Y113-F144 HydrophobicContact CG-CD2 4.41Å; Y113-F144 AromaticContact CG-CE2 3.88Å; Y113-F144 HydrophobicContact CG-CE2 3.88Å; V140-F144 HydrophobicContact CG1-CD2 3.65Å; V140-F144 HydrophobicContact CG1-CE2 3.63Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.91Å; T141-F144 PolarHBondContact O-N 3.25Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.17Å; F144-F146 VanDerWaalsContact C-N 3.3Å; F144-F146 PolarHBondContact O-N 3.19Å; F144-L147 HydrophobicContact CD1-CD1 4.31Å; F144-L147 PolarHBondContact O-N 3.13Å; F144-W148 WeakPolarHBondContact O-CB 3.3Å; F144-W148 PolarHBondContact O-N 2.96Å; F144-W204 HydrophobicContact CB-CD2 3.81Å; F144-W204 HydrophobicContact CB-CE3 3.19Å; F144-W204 HydrophobicContact CB-CH2 3.66Å; F144-W204 HydrophobicContact CB-CZ2 4.25Å; F144-W204 HydrophobicContact CB-CZ3 3.13Å; F144-W204 HydrophobicContact CD1-CH2 4.04Å; F144-W204 HydrophobicContact CD1-CZ2 4.46Å; F144-W204 HydrophobicContact CD1-CZ3 4.35Å; F144-W204 HydrophobicContact CD2-CE3 4.37Å; F144-W204 AromaticContact CD2-CH2 3.59Å; F144-W204 HydrophobicContact CD2-CH2 3.59Å; F144-W204 AromaticContact CD2-CZ3 3.43Å; F144-W204 HydrophobicContact CD2-CZ3 3.43Å; F144-W204 VanDerWaalsContact CD2-CZ3 3.43Å; F144-W204 HydrophobicContact CE2-CH2 4.2Å; F144-W204 HydrophobicContact CE2-CZ3 4.4Å; F144-W204 HydrophobicContact CG-CE3 4.01Å; F144-W204 AromaticContact CG-CH2 3.5Å; F144-W204 HydrophobicContact CG-CH2 3.5Å; F144-W204 HydrophobicContact CG-CZ2 4.25Å; F144-W204 AromaticContact CG-CZ3 3.41Å; F144-W204 HydrophobicContact CG-CZ3 3.41Å; F144-W204 VanDerWaalsContact CG-CZ3 3.41Å |
| 145 | A | 96.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T141 A142 W148 L149 L201 W204 A205 | T141-A145 PolarHBondContact O-N 3.3Å; A142-A145 PolarHBondContact O-N 3.2Å; A145-W148 PolarHBondContact O-N 3.22Å; A145-L149 PolarHBondContact O-N 3.35Å; A145-L149 VanDerWaalsContact O-N 3.08Å; A145-L201 WeakPolarHBondContact O-CD1 3.47Å; A145-W204 HydrophobicContact CB-CB 3.96Å; A145-A205 HydrophobicContact CB-CB 4.48Å |
| 146 | F | 96.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 41.6 Ų | 41.6 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.8 | -44.5 | 174 | 177.7 | -100.9 | 0 | 0 | 0 | 112.5 | A142 A143 F144 W148 L149 V150 | A142-F146 PolarHBondContact O-N 2.92Å; A142-F146 VanDerWaalsContact O-N 3.08Å; A143-F146 PolarHBondContact O-N 3.3Å; F144-F146 VanDerWaalsContact C-N 3.3Å; F144-F146 PolarHBondContact O-N 3.19Å; F146-W148 VanDerWaalsContact C-N 3.34Å; F146-W148 PolarHBondContact O-N 3.37Å; F146-L149 WeakPolarHBondContact O-CB 3.1Å; F146-L149 PolarHBondContact O-N 2.97Å; F146-V150 HydrophobicContact CD1-CG2 4.3Å; F146-V150 HydrophobicContact CD2-CG2 4.34Å; F146-V150 HydrophobicContact CE1-CG2 3.81Å; F146-V150 HydrophobicContact CE2-CG2 3.85Å; F146-V150 HydrophobicContact CZ-CG2 3.56Å; F146-V150 WeakPolarHBondContact O-CG2 3.43Å; F146-V150 PolarHBondContact O-N 3.17Å |
| 147 | L | 96.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 177.6 | -72.6 | 171 | 0 | 0 | 0 | 112.2 | F102 V106 A143 F144 L149 V150 S151 | F102-L147 HydrophobicContact CE2-CD2 4.33Å; F102-L147 HydrophobicContact CZ-CD2 4.15Å; V106-L147 HydrophobicContact CG1-CB 3.87Å; V106-L147 HydrophobicContact CG2-CB 4.08Å; V106-L147 HydrophobicContact CG2-CD2 4.43Å; A143-L147 WeakPolarHBondContact O-CG 3.47Å; A143-L147 PolarHBondContact O-N 3.27Å; F144-L147 HydrophobicContact CD1-CD1 4.31Å; F144-L147 PolarHBondContact O-N 3.13Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-V150 PolarHBondContact O-N 3.47Å; L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.49Å; L147-S151 PolarHBondContact O-OG 2.9Å |
| 148 | W | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 174.8 | -85.2 | 115.3 | 0 | 0 | 0 | 112.2 | T33 A36 Y103 V106 F144 A145 F146 S152 N200 L201 W204 | T33-W148 HydrophobicContact CG2-CH2 4.3Å; T33-W148 HydrophobicContact CG2-CZ2 3.83Å; A36-W148 HydrophobicContact CB-CH2 3.69Å; A36-W148 HydrophobicContact CB-CZ3 3.95Å; Y103-W148 HydrophobicContact CD2-CZ3 4.41Å; Y103-W148 HydrophobicContact CE2-CE3 4.05Å; Y103-W148 AromaticContact CE2-CZ3 3.57Å; Y103-W148 HydrophobicContact CE2-CZ3 3.57Å; Y103-W148 AromaticContact CZ-CZ3 3.86Å; V106-W148 HydrophobicContact CG1-CD2 4.24Å; V106-W148 HydrophobicContact CG1-CG 4.48Å; F144-W148 WeakPolarHBondContact O-CB 3.3Å; F144-W148 PolarHBondContact O-N 2.96Å; A145-W148 PolarHBondContact O-N 3.22Å; F146-W148 VanDerWaalsContact C-N 3.34Å; F146-W148 PolarHBondContact O-N 3.37Å; W148-S152 WeakPolarHBondContact O-CB 3.26Å; W148-S152 PolarHBondContact O-N 2.91Å; W148-S152 PolarHBondContact O-OG 3.08Å; W148-N200 HydrophobicContact CD2-CB 3.61Å; W148-N200 HydrophobicContact CE3-CB 3.92Å; W148-N200 HydrophobicContact CG-CB 4.05Å; W148-N200 HydrophobicContact CH2-CB 4.22Å; W148-N200 WeakPolarHBondContact CH2-ND2 3.48Å; W148-N200 HydrophobicContact CZ2-CB 3.92Å; W148-N200 HydrophobicContact CZ3-CB 4.21Å; W148-L201 HydrophobicContact CB-CB 4.14Å; W148-W204 AromaticContact CD1-CD1 3.62Å; W148-W204 AromaticContact CD1-CE2 3.95Å; W148-W204 AromaticContact CD1-CG 3.82Å; W148-W204 AromaticContact CD1-NE1 3.67Å; W148-W204 AromaticContact NE1-CD1 3.61Å; W148-W204 AromaticContact NE1-CE2 3.51Å; W148-W204 AromaticContact NE1-NE1 3.17Å; W148-W204 VanDerWaalsContact NE1-NE1 3.17Å |
| 149 | L | 96.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -57.5 | 174 | 174.9 | 64.2 | 0 | 0 | 0 | 110.7 | A145 F146 L147 S151 S152 S153 L201 | A145-L149 PolarHBondContact O-N 3.35Å; A145-L149 VanDerWaalsContact O-N 3.08Å; F146-L149 WeakPolarHBondContact O-CB 3.1Å; F146-L149 PolarHBondContact O-N 2.97Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L149-S151 PolarHBondContact O-N 2.89Å; L149-S152 PolarHBondContact O-N 3.26Å; L149-S153 WeakPolarHBondContact O-CB 3.35Å; L149-S153 PolarHBondContact O-N 3.23Å; L149-S153 PolarHBondContact O-OG 2.77Å; L149-S153 VanDerWaalsContact O-OG 3.1Å; L149-L201 HydrophobicContact CB-CD1 3.83Å; L149-L201 HydrophobicContact CB-CD2 4.04Å; L149-L201 HydrophobicContact CD1-CD2 3.68Å; L149-L201 HydrophobicContact CG-CD2 4.44Å |
| 150 | V | 97.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | -174.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | F102 F146 L147 A154 | F102-V150 HydrophobicContact CE1-CB 4.4Å; F102-V150 HydrophobicContact CE1-CG1 4.01Å; F102-V150 HydrophobicContact CZ-CG1 4.46Å; F146-V150 HydrophobicContact CD1-CG2 4.3Å; F146-V150 HydrophobicContact CD2-CG2 4.34Å; F146-V150 HydrophobicContact CE1-CG2 3.81Å; F146-V150 HydrophobicContact CE2-CG2 3.85Å; F146-V150 HydrophobicContact CZ-CG2 3.56Å; F146-V150 WeakPolarHBondContact O-CG2 3.43Å; F146-V150 PolarHBondContact O-N 3.17Å; L147-V150 PolarHBondContact O-N 3.47Å; V150-A154 VanDerWaalsContact O-CB 3.31Å; V150-A154 WeakPolarHBondContact O-CB 3.16Å; V150-A154 PolarHBondContact O-N 3.26Å |
| 151 | S | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -40.3 | -178 | 75.8 | 0 | 0 | 0 | 0 | 112.5 | F102 L147 L149 A154 W155 | F102-S151 VanDerWaalsContact CE1-CA 3.45Å; F102-S151 VanDerWaalsContact CE1-CB 3.45Å; L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.49Å; L147-S151 PolarHBondContact O-OG 2.9Å; L149-S151 PolarHBondContact O-N 2.89Å; S151-A154 PolarHBondContact O-N 3.44Å; S151-W155 VanDerWaalsContact O-CB 3.29Å; S151-W155 WeakPolarHBondContact O-CB 3.25Å; S151-W155 PolarHBondContact O-N 3.06Å |
| 152 | S | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | 177 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | W148 L149 G156 G197 | W148-S152 WeakPolarHBondContact O-CB 3.26Å; W148-S152 PolarHBondContact O-N 2.91Å; W148-S152 PolarHBondContact O-OG 3.08Å; L149-S152 PolarHBondContact O-N 3.26Å; S152-G156 PolarHBondContact O-N 3.17Å; S152-G197 VanDerWaalsContact OG-CA 3.26Å; S152-G197 WeakPolarHBondContact OG-CA 3.4Å; S152-G197 PolarHBondContact OG-O 3.41Å |
| 153 | S | 96.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 42% | 0.42 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | L149 W155 G156 K157 | L149-S153 WeakPolarHBondContact O-CB 3.35Å; L149-S153 PolarHBondContact O-N 3.23Å; L149-S153 PolarHBondContact O-OG 2.77Å; L149-S153 VanDerWaalsContact O-OG 3.1Å; S153-W155 VanDerWaalsContact C-N 3.34Å; S153-W155 PolarHBondContact O-N 3.18Å; S153-G156 PolarHBondContact O-N 3.05Å; S153-K157 PolarHBondContact O-N 2.89Å; S153-K157 VanDerWaalsContact O-N 3.08Å |
| 154 | A | 95.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V150 S151 G158 | V150-A154 VanDerWaalsContact O-CB 3.31Å; V150-A154 WeakPolarHBondContact O-CB 3.16Å; V150-A154 PolarHBondContact O-N 3.26Å; S151-A154 PolarHBondContact O-N 3.44Å; A154-G158 PolarHBondContact O-N 2.88Å |
| 155 | W | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -37.9 | 176.4 | 179.8 | -125.9 | 0 | 0 | 0 | 112.7 | T40 F69 A100 Y103 S151 S153 K157 G158 L159 L190 S193 V194 | T40-W155 HydrophobicContact CG2-CD2 4.4Å; T40-W155 HydrophobicContact CG2-CH2 4.27Å; T40-W155 HydrophobicContact CG2-CZ2 3.76Å; F69-W155 AromaticContact CD2-CH2 3.73Å; F69-W155 HydrophobicContact CD2-CH2 3.73Å; F69-W155 AromaticContact CD2-CZ3 3.96Å; F69-W155 HydrophobicContact CD2-CZ3 3.96Å; F69-W155 HydrophobicContact CE1-CH2 4.47Å; F69-W155 AromaticContact CE2-CH2 3.33Å; F69-W155 HydrophobicContact CE2-CH2 3.33Å; F69-W155 HydrophobicContact CE2-CZ2 4.09Å; F69-W155 AromaticContact CE2-CZ3 3.96Å; F69-W155 HydrophobicContact CE2-CZ3 3.96Å; F69-W155 HydrophobicContact CG-CH2 4.45Å; F69-W155 AromaticContact CZ-CH2 3.77Å; F69-W155 HydrophobicContact CZ-CH2 3.77Å; F69-W155 HydrophobicContact CZ-CZ2 4.31Å; A100-W155 HydrophobicContact CB-CE3 3.86Å; A100-W155 HydrophobicContact CB-CH2 4.34Å; A100-W155 HydrophobicContact CB-CZ3 3.6Å; Y103-W155 HydrophobicContact CD1-CB 4.36Å; Y103-W155 AromaticContact CD1-CD1 3.7Å; Y103-W155 AromaticContact CD1-CG 3.99Å; Y103-W155 HydrophobicContact CD1-CG 3.99Å; Y103-W155 HydrophobicContact CD2-CB 4.01Å; Y103-W155 HydrophobicContact CD2-CG 4.43Å; Y103-W155 AromaticContact CE1-CD1 3.8Å; Y103-W155 HydrophobicContact CG-CB 3.81Å; Y103-W155 AromaticContact CG-CG 3.95Å; Y103-W155 HydrophobicContact CG-CG 3.95Å; S151-W155 VanDerWaalsContact O-CB 3.29Å; S151-W155 WeakPolarHBondContact O-CB 3.25Å; S151-W155 PolarHBondContact O-N 3.06Å; S153-W155 VanDerWaalsContact C-N 3.34Å; S153-W155 PolarHBondContact O-N 3.18Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 3.29Å; W155-G158 PolarHBondContact O-N 3.32Å; W155-L159 HydrophobicContact CH2-CB 4.44Å; W155-L159 HydrophobicContact CZ2-CB 4.16Å; W155-L159 HydrophobicContact CZ2-CD1 4.26Å; W155-L159 WeakPolarHBondContact O-CB 3.38Å; W155-L159 PolarHBondContact O-N 3.33Å; W155-L190 HydrophobicContact CZ2-CB 4.42Å; W155-L190 HydrophobicContact CZ2-CD2 4.06Å; W155-S193 PolarHBondContact NE1-OG 3.36Å; W155-V194 HydrophobicContact CG-CG2 4.39Å |
| 156 | G | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S152 S153 T160 | S152-G156 PolarHBondContact O-N 3.17Å; S153-G156 PolarHBondContact O-N 3.05Å; G156-T160 PolarHBondContact O-N 3.4Å; G156-T160 PolarHBondContact O-OG1 3.27Å; G156-T160 VanDerWaalsContact O-OG1 3.06Å |
| 157 | K | 94.7 | Very high | 93.1 | Very high | 120 Ų | 120 | 40.2 Ų | 40.2 | 52% | 0.522 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.6 | -48.7 | 172.1 | -179.1 | 57.3 | 169.7 | 72.8 | 0 | 111.6 | S153 W155 L159 T160 D161 | S153-K157 PolarHBondContact O-N 2.89Å; S153-K157 VanDerWaalsContact O-N 3.08Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 3.29Å; K157-L159 VanDerWaalsContact C-N 3.27Å; K157-L159 PolarHBondContact O-N 3.36Å; K157-T160 WeakPolarHBondContact O-CB 3.45Å; K157-T160 PolarHBondContact O-N 2.66Å; K157-D161 IonicContact NZ-OD1 3.79Å; K157-D161 PolarHBondContact NZ-OD1 3.42Å; K157-D161 IonicContact NZ-OD2 2.76Å; K157-D161 PolarHBondContact NZ-OD2 2.76Å; K157-D161 PolarHBondContact O-N 2.5Å |
| 158 | G | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.5 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A154 W155 T160 D161 V162 | A154-G158 PolarHBondContact O-N 2.88Å; W155-G158 PolarHBondContact O-N 3.32Å; G158-T160 PolarHBondContact O-N 2.94Å; G158-D161 PolarHBondContact O-N 2.74Å; G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.35Å |
| 159 | L | 92.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.4 | 177.2 | 56.7 | 0 | 0 | 0 | 112.3 | W155 K157 D161 V162 K163 M187 L190 V194 | W155-L159 HydrophobicContact CH2-CB 4.44Å; W155-L159 HydrophobicContact CZ2-CB 4.16Å; W155-L159 HydrophobicContact CZ2-CD1 4.26Å; W155-L159 WeakPolarHBondContact O-CB 3.38Å; W155-L159 PolarHBondContact O-N 3.33Å; K157-L159 VanDerWaalsContact C-N 3.27Å; K157-L159 PolarHBondContact O-N 3.36Å; L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.76Å; L159-V162 PolarHBondContact O-N 3.1Å; L159-K163 HydrophobicContact CD1-CG 4.31Å; L159-K163 HydrophobicContact CG-CD 4.44Å; L159-K163 WeakPolarHBondContact O-CG 3.45Å; L159-K163 PolarHBondContact O-N 2.9Å; L159-M187 HydrophobicContact CD1-SD 4.5Å; L159-L190 HydrophobicContact CD1-CB 3.43Å; L159-L190 VanDerWaalsContact CD1-CB 3.43Å; L159-L190 HydrophobicContact CD1-CD1 3.58Å; L159-L190 HydrophobicContact CD1-CG 4.14Å; L159-L190 HydrophobicContact CD2-CB 3.91Å; L159-L190 WeakPolarHBondContact CD2-O 3.4Å; L159-L190 HydrophobicContact CG-CB 4.32Å; L159-V194 HydrophobicContact CB-CG2 4.43Å; L159-V194 HydrophobicContact CD2-CG2 3.64Å |
| 160 | T | 93.3 | Very high | 91 | Very high | 80 Ų | 80 | 39.3 Ų | 39.3 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | G156 K157 G158 K163 W164 | G156-T160 PolarHBondContact O-N 3.4Å; G156-T160 PolarHBondContact O-OG1 3.27Å; G156-T160 VanDerWaalsContact O-OG1 3.06Å; K157-T160 WeakPolarHBondContact O-CB 3.45Å; K157-T160 PolarHBondContact O-N 2.66Å; G158-T160 PolarHBondContact O-N 2.94Å; T160-K163 PolarHBondContact O-N 2.9Å; T160-W164 PolarHBondContact O-N 2.95Å |
| 161 | D | 91.4 | Very high | 90 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.1 | -37.3 | 178.9 | -60.7 | -26.1 | 0 | 0 | 0 | 112.6 | Y96 K157 G158 L159 W164 A165 | Y96-D161 HydrophobicContact CD1-CB 3.83Å; Y96-D161 HydrophobicContact CE1-CB 3.25Å; Y96-D161 HydrophobicContact CE2-CB 4.19Å; Y96-D161 VanDerWaalsContact CZ-CB 3.45Å; K157-D161 IonicContact NZ-OD1 3.79Å; K157-D161 PolarHBondContact NZ-OD1 3.42Å; K157-D161 IonicContact NZ-OD2 2.76Å; K157-D161 PolarHBondContact NZ-OD2 2.76Å; K157-D161 PolarHBondContact O-N 2.5Å; G158-D161 PolarHBondContact O-N 2.74Å; L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.76Å; D161-W164 PolarHBondContact O-N 2.92Å; D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 3.05Å |
| 162 | V | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 171.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | F65 F69 Y96 G158 L159 W164 A165 T166 M187 | F65-V162 HydrophobicContact CD2-CG1 4.49Å; F65-V162 HydrophobicContact CE2-CG1 3.95Å; F69-V162 HydrophobicContact CB-CG2 4.09Å; F69-V162 HydrophobicContact CD1-CG1 4.07Å; F69-V162 HydrophobicContact CD1-CG2 4.17Å; F69-V162 HydrophobicContact CE1-CG1 4.46Å; F69-V162 HydrophobicContact CG-CG2 4.18Å; Y96-V162 HydrophobicContact CD2-CG2 3.53Å; Y96-V162 HydrophobicContact CE2-CG2 4.34Å; Y96-V162 HydrophobicContact CG-CG2 3.91Å; G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.35Å; L159-V162 PolarHBondContact O-N 3.1Å; V162-W164 VanDerWaalsContact C-N 3.29Å; V162-W164 PolarHBondContact O-N 2.64Å; V162-A165 PolarHBondContact O-N 3.2Å; V162-T166 HydrophobicContact CG1-CG2 4.22Å; V162-T166 WeakPolarHBondContact O-CB 3.48Å; V162-T166 VanDerWaalsContact O-CG2 3.25Å; V162-T166 WeakPolarHBondContact O-CG2 3.29Å; V162-T166 PolarHBondContact O-N 3.35Å; V162-T166 PolarHBondContact O-OG1 3.35Å; V162-M187 HydrophobicContact CG1-CE 4.47Å |
| 163 | K | 90.3 | Very high | 88.2 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 32% | 0.317 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 176.8 | -74 | 171.1 | -178.7 | 170.6 | 0 | 112 | L159 T160 N167 M187 N191 | L159-K163 HydrophobicContact CD1-CG 4.31Å; L159-K163 HydrophobicContact CG-CD 4.44Å; L159-K163 WeakPolarHBondContact O-CG 3.45Å; L159-K163 PolarHBondContact O-N 2.9Å; T160-K163 PolarHBondContact O-N 2.9Å; K163-N167 WeakPolarHBondContact O-CB 3.14Å; K163-N167 PolarHBondContact O-N 3.42Å; K163-M187 HydrophobicContact CG-CE 4.18Å; K163-M187 HydrophobicContact CG-CG 4.11Å; K163-M187 HydrophobicContact CG-SD 3.92Å; K163-N191 WeakPolarHBondContact CE-OD1 3.43Å; K163-N191 PolarHBondContact NZ-OD1 3.33Å |
| 164 | W | 88.8 | Confident | 86.9 | Confident | 165 Ų | 165 | 46.2 Ų | 46.2 | 63% | 0.625 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.4 | -51.4 | 176.6 | -177.9 | -93 | 0 | 0 | 0 | 111.6 | T160 D161 V162 T166 N167 H170 | T160-W164 PolarHBondContact O-N 2.95Å; D161-W164 PolarHBondContact O-N 2.92Å; V162-W164 VanDerWaalsContact C-N 3.29Å; V162-W164 PolarHBondContact O-N 2.64Å; W164-T166 VanDerWaalsContact C-N 3.27Å; W164-T166 PolarHBondContact O-N 3.15Å; W164-N167 WeakPolarHBondContact O-CB 3.31Å; W164-N167 PolarHBondContact O-N 3.35Å; W164-H170 AromaticContact CD2-CD2 3.91Å; W164-H170 AromaticContact CD2-NE2 3.83Å; W164-H170 AromaticContact CE2-CD2 3.89Å; W164-H170 AromaticContact CE2-NE2 3.82Å; W164-H170 AromaticContact CE3-CD2 3.99Å; W164-H170 AromaticContact CE3-NE2 3.5Å; W164-H170 AromaticContact CH2-CE1 3.24Å; W164-H170 WeakPolarHBondContact CH2-CE1 3.39Å; W164-H170 AromaticContact CH2-NE2 3.2Å; W164-H170 WeakPolarHBondContact CH2-NE2 3.18Å; W164-H170 AromaticContact CZ2-CE1 3.49Å; W164-H170 VanDerWaalsContact CZ2-CE1 3.49Å; W164-H170 WeakPolarHBondContact CZ2-CE1 3.44Å; W164-H170 AromaticContact CZ2-ND1 3.98Å; W164-H170 AromaticContact CZ2-NE2 3.53Å; W164-H170 AromaticContact CZ3-CE1 3.72Å; W164-H170 AromaticContact CZ3-NE2 3.17Å; W164-H170 WeakPolarHBondContact CZ3-NE2 3.4Å |
| 165 | A | 85.9 | Confident | 85.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -24.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L71 Q93 Y96 D161 V162 | L71-A165 HydrophobicContact CD1-CB 3.51Å; Q93-A165 WeakPolarHBondContact O-CB 3.36Å; Y96-A165 HydrophobicContact CE2-CB 4.11Å; D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 3.05Å; V162-A165 PolarHBondContact O-N 3.2Å |
| 166 | T | 85.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1.1 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | T47 F65 L71 V162 W164 P168 M187 | T47-T166 WeakPolarHBondContact CB-O 3.42Å; T47-T166 PolarHBondContact OG1-O 3.19Å; F65-T166 HydrophobicContact CD1-CG2 3.81Å; F65-T166 HydrophobicContact CD2-CG2 4.22Å; F65-T166 HydrophobicContact CE1-CG2 3.55Å; F65-T166 HydrophobicContact CE2-CG2 3.96Å; F65-T166 HydrophobicContact CG-CG2 4.16Å; F65-T166 HydrophobicContact CZ-CG2 3.64Å; L71-T166 HydrophobicContact CD1-CG2 4.28Å; L71-T166 HydrophobicContact CD2-CG2 4.08Å; V162-T166 HydrophobicContact CG1-CG2 4.22Å; V162-T166 WeakPolarHBondContact O-CB 3.48Å; V162-T166 VanDerWaalsContact O-CG2 3.25Å; V162-T166 WeakPolarHBondContact O-CG2 3.29Å; V162-T166 PolarHBondContact O-N 3.35Å; V162-T166 PolarHBondContact O-OG1 3.35Å; W164-T166 VanDerWaalsContact C-N 3.27Å; W164-T166 PolarHBondContact O-N 3.15Å; T166-P168 WeakPolarHBondContact O-CD 3.47Å; T166-M187 VanDerWaalsContact OG1-CE 3.3Å; T166-M187 WeakPolarHBondContact OG1-CE 3.26Å |
| 167 | N | 84.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | trans | -71.6 | 120.9 | -178.5 | -172.5 | -26.8 | 0 | 0 | 0 | 110.4 | K163 W164 V169 H170 L171 | K163-N167 WeakPolarHBondContact O-CB 3.14Å; K163-N167 PolarHBondContact O-N 3.42Å; W164-N167 WeakPolarHBondContact O-CB 3.31Å; W164-N167 PolarHBondContact O-N 3.35Å; N167-V169 PolarHBondContact O-N 3.43Å; N167-V169 VanDerWaalsContact O-N 3.14Å; N167-V169 WeakPolarHBondContact OD1-CB 3.47Å; N167-V169 WeakPolarHBondContact OD1-CG2 3.38Å; N167-V169 PolarHBondContact OD1-N 2.78Å; N167-H170 PolarHBondContact O-N 3.5Å; N167-L171 WeakPolarHBondContact O-CG 3.36Å; N167-L171 PolarHBondContact O-N 2.93Å | ||
| 168 | P | 81.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -25.1 | -178.8 | 26.1 | -35.4 | 0 | 0 | 0 | 113.1 | T166 L171 V172 P181 Y184 | T166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-L171 PolarHBondContact O-N 3.46Å; P168-V172 WeakPolarHBondContact O-CB 3.44Å; P168-V172 WeakPolarHBondContact O-CG2 3.17Å; P168-V172 PolarHBondContact O-N 2.87Å; P168-P181 HydrophobicContact CB-CB 4Å; P168-P181 HydrophobicContact CG-CB 4.2Å; P168-Y184 HydrophobicContact CG-CD1 3.69Å; P168-Y184 HydrophobicContact CG-CD2 4.39Å; P168-Y184 HydrophobicContact CG-CE1 3.47Å; P168-Y184 VanDerWaalsContact CG-CE1 3.47Å; P168-Y184 HydrophobicContact CG-CE2 4.2Å; P168-Y184 HydrophobicContact CG-CG 4.15Å |
| 169 | V | 83.4 | Confident | 82 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | N167 V172 P181 | N167-V169 PolarHBondContact O-N 3.43Å; N167-V169 VanDerWaalsContact O-N 3.14Å; N167-V169 WeakPolarHBondContact OD1-CB 3.47Å; N167-V169 WeakPolarHBondContact OD1-CG2 3.38Å; N167-V169 PolarHBondContact OD1-N 2.78Å; V169-V172 PolarHBondContact O-N 3.22Å; V169-P181 HydrophobicContact CG2-CB 4.37Å; V169-P181 HydrophobicContact CG2-CG 4.07Å |
| 170 | H | 80.4 | Confident | 81.4 | Confident | 51 Ų | 51 | 56 Ų | 56 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.2 | -34.1 | 178.4 | -66.1 | -53.8 | 0 | 0 | 0 | 112.2 | W164 N167 V172 E173 | W164-H170 AromaticContact CD2-CD2 3.91Å; W164-H170 AromaticContact CD2-NE2 3.83Å; W164-H170 AromaticContact CE2-CD2 3.89Å; W164-H170 AromaticContact CE2-NE2 3.82Å; W164-H170 AromaticContact CE3-CD2 3.99Å; W164-H170 AromaticContact CE3-NE2 3.5Å; W164-H170 AromaticContact CH2-CE1 3.24Å; W164-H170 WeakPolarHBondContact CH2-CE1 3.39Å; W164-H170 AromaticContact CH2-NE2 3.2Å; W164-H170 WeakPolarHBondContact CH2-NE2 3.18Å; W164-H170 AromaticContact CZ2-CE1 3.49Å; W164-H170 VanDerWaalsContact CZ2-CE1 3.49Å; W164-H170 WeakPolarHBondContact CZ2-CE1 3.44Å; W164-H170 AromaticContact CZ2-ND1 3.98Å; W164-H170 AromaticContact CZ2-NE2 3.53Å; W164-H170 AromaticContact CZ3-CE1 3.72Å; W164-H170 AromaticContact CZ3-NE2 3.17Å; W164-H170 WeakPolarHBondContact CZ3-NE2 3.4Å; N167-H170 PolarHBondContact O-N 3.5Å; H170-V172 VanDerWaalsContact C-N 3.29Å; H170-V172 PolarHBondContact O-N 3.02Å; H170-E173 IonicContact ND1-OE1 3.95Å; H170-E173 PolarHBondContact O-N 3.27Å |
| 171 | L | 76.4 | Confident | 80.9 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 177.6 | -65 | 172.7 | 0 | 0 | 0 | 112.2 | T47 I49 L92 N167 P168 | T47-L171 HydrophobicContact CG2-CD1 3.78Å; I49-L171 HydrophobicContact CD1-CB 3.68Å; I49-L171 HydrophobicContact CD1-CD1 4.24Å; I49-L171 HydrophobicContact CG1-CB 4.34Å; L92-L171 HydrophobicContact CD2-CD1 3.71Å; L92-L171 HydrophobicContact CD2-CD2 3.76Å; L92-L171 HydrophobicContact CD2-CG 4.41Å; N167-L171 WeakPolarHBondContact O-CG 3.36Å; N167-L171 PolarHBondContact O-N 2.93Å; P168-L171 PolarHBondContact O-N 3.46Å |
| 172 | V | 79.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.9 | -26.9 | 179.2 | 165.7 | 0 | 0 | 0 | 0 | 112.6 | I49 P168 V169 H170 A174 C175 Q176 C179 S180 P181 | I49-V172 HydrophobicContact CG2-CG2 3.85Å; P168-V172 WeakPolarHBondContact O-CB 3.44Å; P168-V172 WeakPolarHBondContact O-CG2 3.17Å; P168-V172 PolarHBondContact O-N 2.87Å; V169-V172 PolarHBondContact O-N 3.22Å; H170-V172 VanDerWaalsContact C-N 3.29Å; H170-V172 PolarHBondContact O-N 3.02Å; V172-A174 PolarHBondContact O-N 3.06Å; V172-C175 CarbonylContact O-C 3.6Å; V172-C175 WeakPolarHBondContact O-CA 3.42Å; V172-C175 PolarHBondContact O-N 2.67Å; V172-Q176 HydrophobicContact CG1-CG 4.3Å; V172-Q176 PolarHBondContact O-N 3.32Å; V172-C179 HydrophobicContact CB-CB 4.33Å; V172-C179 HydrophobicContact CG1-CB 3.84Å; V172-C179 WeakPolarHBondContact CG1-O 3.4Å; V172-C179 HydrophobicContact CG2-CB 4.12Å; V172-S180 VanDerWaalsContact CG2-C 3.5Å; V172-P181 HydrophobicContact CG2-CG 4.36Å |
| 173 | E | 75.7 | Confident | 80 | Confident | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.1 | -33.8 | 176.9 | -71.6 | 177 | -177.8 | 0 | 0 | 112.4 | H170 C175 | H170-E173 IonicContact ND1-OE1 3.95Å; H170-E173 PolarHBondContact O-N 3.27Å; E173-C175 PolarHBondContact O-N 3.43Å |
| 174 | A | 69.9 | Low | 79.7 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V172 | V172-A174 PolarHBondContact O-N 3.06Š|
| 175 | C | 71.8 | Confident | 79.4 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 14.8 | -174.8 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | V172 E173 Q178 C179 | V172-C175 CarbonylContact O-C 3.6Å; V172-C175 WeakPolarHBondContact O-CA 3.42Å; V172-C175 PolarHBondContact O-N 2.67Å; E173-C175 PolarHBondContact O-N 3.43Å; C175-Q178 PolarHBondContact O-N 2.85Å; C175-C179 HydrophobicContact CB-CB 3.52Å; C175-C179 WeakPolarHBondContact CB-SG 3.33Å; C175-C179 PolarHBondContact O-N 3.2Å; C175-C179 WeakPolarHBondContact SG-CB 3.26Å; C175-C179 CovalentContact SG-SG 2.04Å; C175-C179 PolarHBondContact SG-SG 2.86Å |
| 176 | Q | 73.1 | Confident | 79.5 | Confident | 123 Ų | 123 | 59.4 Ų | 59.4 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 141.4 | 173.4 | -86.8 | -83.2 | -62.1 | 0 | 0 | 110.8 | V172 C179 | V172-Q176 HydrophobicContact CG1-CG 4.3Å; V172-Q176 PolarHBondContact O-N 3.32Å; Q176-C179 PolarHBondContact NE2-O 2.84Å |
| 177 | P | 71.9 | Confident | 79.6 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.6 | -2.3 | 7.2 | 35.4 | -37.3 | 0 | 0 | 0 | 116.5 | ||
| 178 | Q | 76.2 | Confident | 79.8 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -12.2 | -169.4 | -57.9 | 87.9 | -4.5 | 0 | 0 | 114.6 | N52 C175 | N52-Q178 PolarHBondContact N-O 3.22Å; C175-Q178 PolarHBondContact O-N 2.85Å |
| 179 | C | 79.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.034 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.7 | 178.1 | -79.5 | 0 | 0 | 0 | 0 | 112.3 | I49 L50 V172 C175 Q176 | I49-C179 HydrophobicContact CG2-CB 4.08Å; L50-C179 CarbonylContact O-C 3.19Å; L50-C179 WeakPolarHBondContact O-CA 3.46Å; V172-C179 HydrophobicContact CB-CB 4.33Å; V172-C179 HydrophobicContact CG1-CB 3.84Å; V172-C179 WeakPolarHBondContact CG1-O 3.4Å; V172-C179 HydrophobicContact CG2-CB 4.12Å; C175-C179 HydrophobicContact CB-CB 3.52Å; C175-C179 WeakPolarHBondContact CB-SG 3.33Å; C175-C179 PolarHBondContact O-N 3.2Å; C175-C179 WeakPolarHBondContact SG-CB 3.26Å; C175-C179 CovalentContact SG-SG 2.04Å; C175-C179 PolarHBondContact SG-SG 2.86Å; Q176-C179 PolarHBondContact NE2-O 2.84Å |
| 180 | S | 81.4 | Confident | 80.7 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.4 | 169.3 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | L50 V172 G182 | L50-S180 PolarHBondContact N-O 3.19Å; L50-S180 PolarHBondContact O-N 3.39Å; V172-S180 VanDerWaalsContact CG2-C 3.5Å; S180-G182 PolarHBondContact O-N 3.32Å |
| 181 | P | 81.4 | Confident | 81.4 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.2 | -179.5 | -20.1 | 32.6 | 0 | 0 | 0 | 111 | P168 V169 V172 | P168-P181 HydrophobicContact CB-CB 4Å; P168-P181 HydrophobicContact CG-CB 4.2Å; V169-P181 HydrophobicContact CG2-CB 4.37Å; V169-P181 HydrophobicContact CG2-CG 4.07Å; V172-P181 HydrophobicContact CG2-CG 4.36Å |
| 182 | G | 81.6 | Confident | 82.2 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | trans | -96.1 | -144.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q48 S180 | Q48-G182 CarbonylContact O-C 3.36Å; Q48-G182 WeakPolarHBondContact O-CA 3.45Å; Q48-G182 PolarHBondContact O-N 3.31Å; Q48-G182 VanDerWaalsContact O-N 3.08Å; S180-G182 PolarHBondContact O-N 3.32Å | ||
| 183 | E | 82.4 | Confident | 82.9 | Confident | 120 Ų | 120 | 63.9 Ų | 63.9 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 135 | 179.2 | -164.5 | 176.7 | -178.5 | 0 | 0 | 112.3 | Q48 | Q48-E183 HydrophobicContact CB-CB 4.17Å; Q48-E183 HydrophobicContact CG-CB 4.25Å; Q48-E183 PolarHBondContact N-O 2.99Å; Q48-E183 VanDerWaalsContact N-O 3.13Å; Q48-E183 PolarHBondContact NE2-OE2 3.14Å |
| 184 | Y | 83.1 | Confident | 83.8 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 141.9 | 177.6 | -69.3 | -97.7 | 0 | 0 | 0 | 111 | P168 S186 | P168-Y184 HydrophobicContact CG-CD1 3.69Å; P168-Y184 HydrophobicContact CG-CD2 4.39Å; P168-Y184 HydrophobicContact CG-CE1 3.47Å; P168-Y184 VanDerWaalsContact CG-CE1 3.47Å; P168-Y184 HydrophobicContact CG-CE2 4.2Å; P168-Y184 HydrophobicContact CG-CG 4.15Å; Y184-S186 PolarHBondContact O-N 3.22Å |
| 185 | P | 83.6 | Confident | 85.1 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 137 | 173 | 26.6 | -34.4 | 0 | 0 | 0 | 111.1 | F65 M187 | F65-P185 HydrophobicContact CE1-CB 3.96Å; F65-P185 HydrophobicContact CE1-CG 4.23Å; F65-P185 HydrophobicContact CZ-CB 3.82Å; F65-P185 HydrophobicContact CZ-CG 4.11Å; P185-M187 HydrophobicContact CB-CE 3.93Å; P185-M187 HydrophobicContact CG-CE 3.45Å; P185-M187 VanDerWaalsContact CG-CE 3.45Å; P185-M187 PolarHBondContact O-N 3.36Å |
| 186 | S | 86.1 | Confident | 86.2 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | trans | -67.8 | 106.7 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | Y43 Y184 | Y43-S186 WeakPolarHBondContact CE2-O 3.49Å; Y43-S186 PolarHBondContact OH-O 3.43Å; Y184-S186 PolarHBondContact O-N 3.22Å | ||
| 187 | M | 88.3 | Confident | 87.3 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | trans | -93.2 | 1.2 | -176.7 | -69 | -70.1 | 176.2 | 0 | 0 | 113.7 | F65 L159 V162 K163 T166 P185 K189 L190 N191 | F65-M187 HydrophobicContact CE2-CE 4.27Å; F65-M187 HydrophobicContact CZ-CE 3.74Å; L159-M187 HydrophobicContact CD1-SD 4.5Å; V162-M187 HydrophobicContact CG1-CE 4.47Å; K163-M187 HydrophobicContact CG-CE 4.18Å; K163-M187 HydrophobicContact CG-CG 4.11Å; K163-M187 HydrophobicContact CG-SD 3.92Å; T166-M187 VanDerWaalsContact OG1-CE 3.3Å; T166-M187 WeakPolarHBondContact OG1-CE 3.26Å; P185-M187 HydrophobicContact CB-CE 3.93Å; P185-M187 HydrophobicContact CG-CE 3.45Å; P185-M187 VanDerWaalsContact CG-CE 3.45Å; P185-M187 PolarHBondContact O-N 3.36Å; M187-K189 PolarHBondContact O-N 2.91Å; M187-L190 PolarHBondContact O-N 3.47Å; M187-L190 HydrophobicContact SD-CD1 3.92Å; M187-N191 PolarHBondContact O-N 2.9Å; M187-N191 PolarHBondContact O-ND2 2.84Å | ||
| 188 | G | 90.1 | Very high | 88.4 | Confident | 43 Ų | 43 | 53 Ų | 53 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -43.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L190 N191 A192 | G188-L190 PolarHBondContact O-N 3.02Å; G188-N191 PolarHBondContact O-N 2.93Å; G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 3.31Å |
| 189 | K | 90.4 | Very high | 89.4 | Confident | 127 Ų | 127 | 52 Ų | 52 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 178.2 | -69.4 | -178 | 179.5 | 179 | 0 | 112.3 | Y43 M187 A192 S193 | Y43-K189 HydrophobicContact CD2-CB 3.97Å; Y43-K189 HydrophobicContact CD2-CD 4.36Å; Y43-K189 HydrophobicContact CE2-CB 4.39Å; M187-K189 PolarHBondContact O-N 2.91Å; K189-A192 PolarHBondContact O-N 3.09Å; K189-S193 PolarHBondContact O-N 3.4Å |
| 190 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73 | -36.2 | 179.9 | -57 | -175.7 | 0 | 0 | 0 | 112.2 | Y43 F69 W155 L159 M187 G188 S193 V194 | Y43-L190 HydrophobicContact CD1-CD1 3.85Å; Y43-L190 HydrophobicContact CD1-CD2 3.99Å; Y43-L190 HydrophobicContact CD1-CG 4.12Å; Y43-L190 HydrophobicContact CD2-CD1 4.24Å; Y43-L190 HydrophobicContact CD2-CD2 3.67Å; Y43-L190 HydrophobicContact CD2-CG 3.67Å; Y43-L190 HydrophobicContact CE1-CD1 3.75Å; Y43-L190 HydrophobicContact CE1-CG 4.26Å; Y43-L190 HydrophobicContact CE2-CD1 4.14Å; Y43-L190 HydrophobicContact CE2-CD2 4.33Å; Y43-L190 HydrophobicContact CE2-CG 3.82Å; Y43-L190 HydrophobicContact CG-CD1 4.09Å; Y43-L190 HydrophobicContact CG-CD2 3.45Å; Y43-L190 VanDerWaalsContact CG-CD2 3.45Å; Y43-L190 HydrophobicContact CG-CG 3.81Å; F69-L190 HydrophobicContact CE1-CD1 3.84Å; F69-L190 HydrophobicContact CE1-CD2 4.48Å; F69-L190 HydrophobicContact CZ-CD1 3.92Å; F69-L190 HydrophobicContact CZ-CD2 3.78Å; W155-L190 HydrophobicContact CZ2-CB 4.42Å; W155-L190 HydrophobicContact CZ2-CD2 4.06Å; L159-L190 HydrophobicContact CD1-CB 3.43Å; L159-L190 VanDerWaalsContact CD1-CB 3.43Å; L159-L190 HydrophobicContact CD1-CD1 3.58Å; L159-L190 HydrophobicContact CD1-CG 4.14Å; L159-L190 HydrophobicContact CD2-CB 3.91Å; L159-L190 WeakPolarHBondContact CD2-O 3.4Å; L159-L190 HydrophobicContact CG-CB 4.32Å; M187-L190 PolarHBondContact O-N 3.47Å; M187-L190 HydrophobicContact SD-CD1 3.92Å; G188-L190 PolarHBondContact O-N 3.02Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 PolarHBondContact O-OG 3Å; L190-V194 PolarHBondContact O-N 2.85Å |
| 191 | N | 94.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 172.6 | -69.6 | -32.2 | 0 | 0 | 0 | 111.4 | K163 M187 G188 S193 V194 I195 | K163-N191 WeakPolarHBondContact CE-OD1 3.43Å; K163-N191 PolarHBondContact NZ-OD1 3.33Å; M187-N191 PolarHBondContact O-N 2.9Å; M187-N191 PolarHBondContact O-ND2 2.84Å; G188-N191 PolarHBondContact O-N 2.93Å; N191-S193 PolarHBondContact O-N 2.98Å; N191-V194 PolarHBondContact O-N 3.03Å; N191-I195 WeakPolarHBondContact O-CG1 3.38Å; N191-I195 PolarHBondContact O-N 3.49Å |
| 192 | A | 94 | Very high | 91.6 | Very high | 30 Ų | 30 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G188 K189 V194 I195 F196 | G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 3.31Å; K189-A192 PolarHBondContact O-N 3.09Å; A192-V194 PolarHBondContact O-N 3.28Å; A192-I195 WeakPolarHBondContact O-CB 3.25Å; A192-I195 PolarHBondContact O-N 3.48Å; A192-F196 HydrophobicContact CB-CD2 4.36Å; A192-F196 HydrophobicContact CB-CE2 4.2Å; A192-F196 WeakPolarHBondContact O-CD2 3.35Å; A192-F196 PolarHBondContact O-N 3.48Å |
| 193 | S | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | -179.4 | 90 | 0 | 0 | 0 | 0 | 112.8 | T39 T40 Y103 W155 K189 L190 N191 I195 F196 G197 | T39-S193 WeakPolarHBondContact OG1-CA 3.28Å; T39-S193 WeakPolarHBondContact OG1-CB 3.47Å; T40-S193 WeakPolarHBondContact OG1-CB 3.43Å; T40-S193 PolarHBondContact OG1-OG 2.88Å; Y103-S193 PolarHBondContact OH-O 2.68Å; W155-S193 PolarHBondContact NE1-OG 3.36Å; K189-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 PolarHBondContact O-OG 3Å; N191-S193 PolarHBondContact O-N 2.98Å; S193-I195 PolarHBondContact O-N 3.35Å; S193-F196 PolarHBondContact O-N 3.03Å; S193-G197 PolarHBondContact O-N 3.47Å |
| 194 | V | 94.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | W155 L159 L190 N191 A192 G197 F198 | W155-V194 HydrophobicContact CG-CG2 4.39Å; L159-V194 HydrophobicContact CB-CG2 4.43Å; L159-V194 HydrophobicContact CD2-CG2 3.64Å; L190-V194 PolarHBondContact O-N 2.85Å; N191-V194 PolarHBondContact O-N 3.03Å; A192-V194 PolarHBondContact O-N 3.28Å; V194-G197 PolarHBondContact O-N 3.33Å; V194-F198 HydrophobicContact CG1-CD2 3.92Å; V194-F198 HydrophobicContact CG1-CE2 3.67Å; V194-F198 WeakPolarHBondContact O-CD2 3.32Å; V194-F198 PolarHBondContact O-N 2.89Å |
| 195 | I | 96.1 | Very high | 93.3 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 177.3 | -64.9 | 166.6 | 0 | 0 | 0 | 110.2 | N191 A192 S193 G197 F198 L199 | N191-I195 WeakPolarHBondContact O-CG1 3.38Å; N191-I195 PolarHBondContact O-N 3.49Å; A192-I195 WeakPolarHBondContact O-CB 3.25Å; A192-I195 PolarHBondContact O-N 3.48Å; S193-I195 PolarHBondContact O-N 3.35Å; I195-G197 PolarHBondContact O-N 3.32Å; I195-F198 PolarHBondContact O-N 3.08Å; I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.27Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å; I195-L199 PolarHBondContact O-N 3.14Å |
| 196 | F | 95.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -32 | 176.8 | -75.6 | -62.4 | 0 | 0 | 0 | 112.8 | F32 F35 A36 A192 S193 L199 N200 | F32-F196 HydrophobicContact CB-CD1 4.35Å; F32-F196 HydrophobicContact CD1-CD1 4.34Å; F32-F196 HydrophobicContact CD1-CE1 4.24Å; F32-F196 HydrophobicContact CE1-CE1 4.48Å; F32-F196 HydrophobicContact CG-CD1 4.2Å; F35-F196 HydrophobicContact CB-CD1 4.05Å; F35-F196 HydrophobicContact CB-CD2 3.74Å; F35-F196 HydrophobicContact CB-CE1 4.07Å; F35-F196 HydrophobicContact CB-CE2 3.77Å; F35-F196 HydrophobicContact CB-CG 3.9Å; F35-F196 HydrophobicContact CB-CZ 3.94Å; F35-F196 HydrophobicContact CD2-CE1 4.19Å; F35-F196 HydrophobicContact CD2-CZ 4.26Å; F35-F196 HydrophobicContact CG-CE1 4.36Å; F35-F196 HydrophobicContact CG-CE2 4.3Å; F35-F196 HydrophobicContact CG-CZ 4.11Å; A36-F196 HydrophobicContact CB-CB 3.98Å; A192-F196 HydrophobicContact CB-CD2 4.36Å; A192-F196 HydrophobicContact CB-CE2 4.2Å; A192-F196 WeakPolarHBondContact O-CD2 3.35Å; A192-F196 PolarHBondContact O-N 3.48Å; S193-F196 PolarHBondContact O-N 3.03Å; F196-L199 HydrophobicContact CD1-CD1 4.26Å; F196-L199 PolarHBondContact O-N 3.34Å; F196-N200 WeakPolarHBondContact O-CB 3.43Å; F196-N200 PolarHBondContact O-N 3.27Å; F196-N200 PolarHBondContact O-ND2 2.92Å; F196-N200 VanDerWaalsContact O-ND2 3.11Å |
| 197 | G | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y103 S152 S193 V194 I195 N200 L201 | Y103-G197 WeakPolarHBondContact OH-CA 3.34Å; Y103-G197 PolarHBondContact OH-N 3.49Å; Y103-G197 VanDerWaalsContact OH-N 3.1Å; S152-G197 VanDerWaalsContact OG-CA 3.26Å; S152-G197 WeakPolarHBondContact OG-CA 3.4Å; S152-G197 PolarHBondContact OG-O 3.41Å; S193-G197 PolarHBondContact O-N 3.47Å; V194-G197 PolarHBondContact O-N 3.33Å; I195-G197 PolarHBondContact O-N 3.32Å; G197-N200 WeakPolarHBondContact O-CB 3.33Å; G197-N200 PolarHBondContact O-N 3.4Å; G197-L201 PolarHBondContact O-N 3.29Å |
| 198 | F | 96.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.6 | -33.1 | 175.9 | -73.1 | -66.2 | 0 | 0 | 0 | 113.1 | V194 I195 N200 L201 I202 | V194-F198 HydrophobicContact CG1-CD2 3.92Å; V194-F198 HydrophobicContact CG1-CE2 3.67Å; V194-F198 WeakPolarHBondContact O-CD2 3.32Å; V194-F198 PolarHBondContact O-N 2.89Å; I195-F198 PolarHBondContact O-N 3.08Å; F198-N200 VanDerWaalsContact C-N 3.34Å; F198-L201 HydrophobicContact CD1-CD2 4.24Å; F198-L201 WeakPolarHBondContact O-CB 3.47Å; F198-L201 PolarHBondContact O-N 3.24Å; F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 3.39Å; F198-I202 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 96.3 | Very high | 94 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 172 | -71.1 | 175 | 0 | 0 | 0 | 111.1 | F32 I195 F196 I202 L203 | F32-L199 HydrophobicContact CD2-CB 3.98Å; F32-L199 HydrophobicContact CD2-CD1 4.5Å; F32-L199 HydrophobicContact CE2-CB 4.25Å; F32-L199 HydrophobicContact CE2-CD1 4.24Å; I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.27Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å; I195-L199 PolarHBondContact O-N 3.14Å; F196-L199 HydrophobicContact CD1-CD1 4.26Å; F196-L199 PolarHBondContact O-N 3.34Å; L199-I202 PolarHBondContact O-N 3.2Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.4Å |
| 200 | N | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 171.9 | -84.2 | -51.7 | 0 | 0 | 0 | 111.1 | E29 F32 T33 W148 F196 G197 F198 I202 L203 W204 | E29-N200 PolarHBondContact O-OD1 2.98Å; F32-N200 WeakPolarHBondContact CB-OD1 3.41Å; F32-N200 PolarHBondContact O-ND2 3.27Å; T33-N200 WeakPolarHBondContact CA-ND2 3.3Å; T33-N200 PolarHBondContact N-ND2 3.07Å; T33-N200 PolarHBondContact OG1-OD1 3.42Å; W148-N200 HydrophobicContact CD2-CB 3.61Å; W148-N200 HydrophobicContact CE3-CB 3.92Å; W148-N200 HydrophobicContact CG-CB 4.05Å; W148-N200 HydrophobicContact CH2-CB 4.22Å; W148-N200 WeakPolarHBondContact CH2-ND2 3.48Å; W148-N200 HydrophobicContact CZ2-CB 3.92Å; W148-N200 HydrophobicContact CZ3-CB 4.21Å; F196-N200 WeakPolarHBondContact O-CB 3.43Å; F196-N200 PolarHBondContact O-N 3.27Å; F196-N200 PolarHBondContact O-ND2 2.92Å; F196-N200 VanDerWaalsContact O-ND2 3.11Å; G197-N200 WeakPolarHBondContact O-CB 3.33Å; G197-N200 PolarHBondContact O-N 3.4Å; F198-N200 VanDerWaalsContact C-N 3.34Å; N200-I202 VanDerWaalsContact C-N 3.26Å; N200-I202 PolarHBondContact O-N 3.12Å; N200-L203 PolarHBondContact O-N 3.05Å; N200-W204 WeakPolarHBondContact O-CB 3.2Å; N200-W204 PolarHBondContact O-N 3.34Å |
| 201 | L | 96.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -49.8 | -48 | 174.9 | 169 | 64 | 0 | 0 | 0 | 112.3 | A145 W148 L149 G197 F198 A205 | A145-L201 WeakPolarHBondContact O-CD1 3.47Å; W148-L201 HydrophobicContact CB-CB 4.14Å; L149-L201 HydrophobicContact CB-CD1 3.83Å; L149-L201 HydrophobicContact CB-CD2 4.04Å; L149-L201 HydrophobicContact CD1-CD2 3.68Å; L149-L201 HydrophobicContact CG-CD2 4.44Å; G197-L201 PolarHBondContact O-N 3.29Å; F198-L201 HydrophobicContact CD1-CD2 4.24Å; F198-L201 WeakPolarHBondContact O-CB 3.47Å; F198-L201 PolarHBondContact O-N 3.24Å; L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.32Å |
| 202 | I | 95.8 | Very high | 93.1 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 59% | 0.59 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64 | -43.6 | 180 | -64.8 | 167.2 | 0 | 0 | 0 | 111 | F198 L199 N200 G206 | F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 3.39Å; F198-I202 VanDerWaalsContact O-N 3.13Å; L199-I202 PolarHBondContact O-N 3.2Å; N200-I202 VanDerWaalsContact C-N 3.26Å; N200-I202 PolarHBondContact O-N 3.12Å; I202-G206 PolarHBondContact O-N 2.93Å |
| 203 | L | 94.5 | Very high | 92.6 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -51.1 | 178.3 | -69.4 | 175.4 | 0 | 0 | 0 | 111.4 | I25 L28 E29 F32 L199 N200 A205 G206 N207 | I25-L203 HydrophobicContact CG2-CB 4.4Å; I25-L203 HydrophobicContact CG2-CD2 4.34Å; L28-L203 HydrophobicContact CB-CD1 3.87Å; L28-L203 HydrophobicContact CB-CD2 4.33Å; L28-L203 HydrophobicContact CD1-CD2 4.32Å; E29-L203 HydrophobicContact CG-CB 3.69Å; E29-L203 HydrophobicContact CG-CD1 4.34Å; F32-L203 HydrophobicContact CD2-CD1 3.45Å; F32-L203 VanDerWaalsContact CD2-CD1 3.45Å; F32-L203 HydrophobicContact CE2-CD1 3.91Å; F32-L203 HydrophobicContact CG-CD1 4.23Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.4Å; N200-L203 PolarHBondContact O-N 3.05Å; L203-A205 PolarHBondContact O-N 3.35Å; L203-G206 PolarHBondContact O-N 3.17Å; L203-N207 VanDerWaalsContact O-CB 3.31Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.23Å |
| 204 | W | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | -178.7 | -75.7 | 75.5 | 0 | 0 | 0 | 111.8 | E29 Y113 T141 F144 A145 W148 N200 N207 C208 | E29-W204 HydrophobicContact CG-CG 4.28Å; E29-W204 WeakPolarHBondContact OE1-CA 3.42Å; Y113-W204 AromaticContact CD1-CH2 3.5Å; Y113-W204 HydrophobicContact CD1-CH2 3.5Å; Y113-W204 VanDerWaalsContact CD1-CH2 3.5Å; Y113-W204 AromaticContact CD1-CZ3 3.74Å; Y113-W204 HydrophobicContact CD1-CZ3 3.74Å; Y113-W204 HydrophobicContact CE1-CH2 4.17Å; Y113-W204 AromaticContact CE1-CZ3 3.94Å; Y113-W204 HydrophobicContact CE1-CZ3 3.94Å; Y113-W204 HydrophobicContact CG-CH2 4.31Å; T141-W204 HydrophobicContact CG2-CE3 3.72Å; T141-W204 HydrophobicContact CG2-CZ3 4.35Å; T141-W204 WeakPolarHBondContact CG2-O 3.44Å; F144-W204 HydrophobicContact CB-CD2 3.81Å; F144-W204 HydrophobicContact CB-CE3 3.19Å; F144-W204 HydrophobicContact CB-CH2 3.66Å; F144-W204 HydrophobicContact CB-CZ2 4.25Å; F144-W204 HydrophobicContact CB-CZ3 3.13Å; F144-W204 HydrophobicContact CD1-CH2 4.04Å; F144-W204 HydrophobicContact CD1-CZ2 4.46Å; F144-W204 HydrophobicContact CD1-CZ3 4.35Å; F144-W204 HydrophobicContact CD2-CE3 4.37Å; F144-W204 AromaticContact CD2-CH2 3.59Å; F144-W204 HydrophobicContact CD2-CH2 3.59Å; F144-W204 AromaticContact CD2-CZ3 3.43Å; F144-W204 HydrophobicContact CD2-CZ3 3.43Å; F144-W204 VanDerWaalsContact CD2-CZ3 3.43Å; F144-W204 HydrophobicContact CE2-CH2 4.2Å; F144-W204 HydrophobicContact CE2-CZ3 4.4Å; F144-W204 HydrophobicContact CG-CE3 4.01Å; F144-W204 AromaticContact CG-CH2 3.5Å; F144-W204 HydrophobicContact CG-CH2 3.5Å; F144-W204 HydrophobicContact CG-CZ2 4.25Å; F144-W204 AromaticContact CG-CZ3 3.41Å; F144-W204 HydrophobicContact CG-CZ3 3.41Å; F144-W204 VanDerWaalsContact CG-CZ3 3.41Å; A145-W204 HydrophobicContact CB-CB 3.96Å; W148-W204 AromaticContact CD1-CD1 3.62Å; W148-W204 AromaticContact CD1-CE2 3.95Å; W148-W204 AromaticContact CD1-CG 3.82Å; W148-W204 AromaticContact CD1-NE1 3.67Å; W148-W204 AromaticContact NE1-CD1 3.61Å; W148-W204 AromaticContact NE1-CE2 3.51Å; W148-W204 AromaticContact NE1-NE1 3.17Å; W148-W204 VanDerWaalsContact NE1-NE1 3.17Å; N200-W204 WeakPolarHBondContact O-CB 3.2Å; N200-W204 PolarHBondContact O-N 3.34Å; W204-N207 PolarHBondContact O-N 3.14Å; W204-C208 PolarHBondContact O-N 3.36Å; W204-C208 VanDerWaalsContact O-N 3.15Å; W204-C208 PolarHBondContact O-SG 2.99Å |
| 205 | A | 94.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A145 L201 L203 N207 C208 | A145-A205 HydrophobicContact CB-CB 4.48Å; L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 3.32Å; L203-A205 PolarHBondContact O-N 3.35Å; A205-N207 VanDerWaalsContact C-N 3.33Å; A205-N207 PolarHBondContact O-N 3.36Å; A205-C208 WeakPolarHBondContact O-CB 3.37Å; A205-C208 PolarHBondContact O-N 2.6Å |
| 206 | G | 92 | Very high | 89.8 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I202 L203 C208 W209 F210 | I202-G206 PolarHBondContact O-N 2.93Å; L203-G206 PolarHBondContact O-N 3.17Å; G206-C208 VanDerWaalsContact C-N 3.3Å; G206-C208 PolarHBondContact O-N 3.18Å; G206-W209 WeakPolarHBondContact O-CB 3.38Å; G206-W209 PolarHBondContact O-N 3.02Å; G206-F210 VanDerWaalsContact O-CD2 3.31Å; G206-F210 WeakPolarHBondContact O-CD2 3.35Å |
| 207 | N | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -33.7 | 178.8 | -154.3 | 4.2 | 0 | 0 | 0 | 112 | L22 I25 R26 E29 T141 L203 W204 A205 W209 F210 I211 | L22-N207 WeakPolarHBondContact CD1-OD1 3.14Å; I25-N207 HydrophobicContact CG2-CB 3.72Å; R26-N207 VanDerWaalsContact CZ-ND2 3.26Å; R26-N207 PolarHBondContact NH1-ND2 2.82Å; R26-N207 VanDerWaalsContact NH1-ND2 3.1Å; E29-N207 WeakPolarHBondContact OE1-CB 3.31Å; E29-N207 PolarHBondContact OE1-ND2 3.22Å; E29-N207 PolarHBondContact OE2-ND2 2.83Å; T141-N207 HydrophobicContact CG2-CB 4.23Å; L203-N207 VanDerWaalsContact O-CB 3.31Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.23Å; W204-N207 PolarHBondContact O-N 3.14Å; A205-N207 VanDerWaalsContact C-N 3.33Å; A205-N207 PolarHBondContact O-N 3.36Å; N207-W209 PolarHBondContact O-N 3.49Å; N207-F210 PolarHBondContact O-N 2.91Å; N207-I211 WeakPolarHBondContact O-CD1 3.33Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.35Å; N207-I211 PolarHBondContact O-N 3.39Å |
| 208 | C | 91.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 14% | 0.142 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -39.2 | 173.7 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | L138 W204 A205 G206 F212 | L138-C208 HydrophobicContact CD1-CB 3.95Å; L138-C208 VanDerWaalsContact CD1-O 3.26Å; L138-C208 WeakPolarHBondContact CD1-O 3.46Å; W204-C208 PolarHBondContact O-N 3.36Å; W204-C208 VanDerWaalsContact O-N 3.15Å; W204-C208 PolarHBondContact O-SG 2.99Å; A205-C208 WeakPolarHBondContact O-CB 3.37Å; A205-C208 PolarHBondContact O-N 2.6Å; G206-C208 VanDerWaalsContact C-N 3.3Å; G206-C208 PolarHBondContact O-N 3.18Å; C208-F212 WeakPolarHBondContact O-CB 3.33Å; C208-F212 PolarHBondContact O-N 3.35Å |
| 209 | W | 88.1 | Confident | 85.9 | Confident | 142 Ų | 142 | 57.9 Ų | 57.9 | 54% | 0.538 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.1 | 174.9 | -104.4 | 0 | 0 | 0 | 112.5 | G206 N207 F212 K213 | G206-W209 WeakPolarHBondContact O-CB 3.38Å; G206-W209 PolarHBondContact O-N 3.02Å; N207-W209 PolarHBondContact O-N 3.49Å; W209-F212 PolarHBondContact O-N 3.12Å; W209-K213 PolarHBondContact O-N 3.49Å |
| 210 | F | 86.8 | Confident | 84 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 178.7 | -69.2 | -75.4 | 0 | 0 | 0 | 111.8 | P21 L22 I25 G206 N207 F212 K213 | P21-F210 HydrophobicContact CB-CD1 4.02Å; P21-F210 HydrophobicContact CB-CE1 3.82Å; P21-F210 HydrophobicContact CB-CZ 4.19Å; P21-F210 HydrophobicContact CG-CD1 3.91Å; P21-F210 HydrophobicContact CG-CE1 3.91Å; L22-F210 HydrophobicContact CD1-CB 4.22Å; I25-F210 HydrophobicContact CD1-CD2 3.46Å; I25-F210 VanDerWaalsContact CD1-CD2 3.46Å; I25-F210 HydrophobicContact CD1-CE2 3.42Å; I25-F210 VanDerWaalsContact CD1-CE2 3.42Å; I25-F210 HydrophobicContact CD1-CG 4.43Å; I25-F210 HydrophobicContact CD1-CZ 4.36Å; G206-F210 VanDerWaalsContact O-CD2 3.31Å; G206-F210 WeakPolarHBondContact O-CD2 3.35Å; N207-F210 PolarHBondContact O-N 2.91Å; F210-F212 VanDerWaalsContact C-N 3.35Å; F210-K213 PolarHBondContact O-N 3Å |
| 211 | I | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.4 | -57.8 | 156.8 | 0 | 0 | 0 | 110.5 | L22 P134 D137 L138 T141 N207 K213 E214 T215 | L22-I211 HydrophobicContact CD1-CB 4.33Å; L22-I211 HydrophobicContact CD1-CD1 4.48Å; L22-I211 HydrophobicContact CD1-CG1 3.38Å; P134-I211 VanDerWaalsContact O-CG2 3.28Å; P134-I211 WeakPolarHBondContact O-CG2 3.5Å; D137-I211 HydrophobicContact CB-CG2 4.28Å; D137-I211 VanDerWaalsContact OD2-CD1 3.26Å; D137-I211 WeakPolarHBondContact OD2-CD1 3.43Å; D137-I211 WeakPolarHBondContact OD2-CG1 3.47Å; L138-I211 HydrophobicContact CB-CB 4.49Å; L138-I211 HydrophobicContact CB-CG2 3.75Å; L138-I211 HydrophobicContact CD1-CB 4.24Å; L138-I211 HydrophobicContact CD1-CG2 4.4Å; T141-I211 HydrophobicContact CG2-CD1 3.75Å; T141-I211 WeakPolarHBondContact OG1-CD1 3.46Å; N207-I211 WeakPolarHBondContact O-CD1 3.33Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.35Å; N207-I211 PolarHBondContact O-N 3.39Å; I211-K213 PolarHBondContact O-N 3.15Å; I211-E214 WeakPolarHBondContact O-CA 3.22Å; I211-E214 WeakPolarHBondContact O-CB 3.38Å; I211-E214 PolarHBondContact O-N 3.25Å; I211-T215 WeakPolarHBondContact O-CG2 3.35Å; I211-T215 PolarHBondContact O-N 3.3Å |
| 212 | F | 85.4 | Confident | 79.5 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.4 | -39.8 | 179.1 | 175.5 | -104.4 | 0 | 0 | 0 | 112 | L138 C208 W209 F210 E214 T215 F217 H218 | L138-F212 HydrophobicContact CD1-CB 4.27Å; L138-F212 HydrophobicContact CD2-CB 4.25Å; L138-F212 HydrophobicContact CD2-CD2 3.96Å; C208-F212 WeakPolarHBondContact O-CB 3.33Å; C208-F212 PolarHBondContact O-N 3.35Å; W209-F212 PolarHBondContact O-N 3.12Å; F210-F212 VanDerWaalsContact C-N 3.35Å; F212-E214 PolarHBondContact O-N 3.27Å; F212-T215 WeakPolarHBondContact O-CB 3.46Å; F212-T215 PolarHBondContact O-N 3.11Å; F212-T215 VanDerWaalsContact O-N 3.07Å; F212-T215 PolarHBondContact O-OG1 2.84Å; F212-F217 HydrophobicContact CE2-CB 3.94Å; F212-F217 HydrophobicContact CZ-CB 4.48Å; F212-H218 HydrophobicContact CD1-CB 4.24Å; F212-H218 HydrophobicContact CE1-CB 3.9Å; F212-H218 AromaticContact CE1-ND1 3.79Å; F212-H218 HydrophobicContact CZ-CB 4.21Å; F212-H218 WeakPolarHBondContact O-CB 3.43Å |
| 213 | K | 83.3 | Confident | 77 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 175.8 | -69.1 | -170.4 | 174 | -172.8 | 0 | 114.1 | W209 F210 I211 T215 | W209-K213 PolarHBondContact O-N 3.49Å; F210-K213 PolarHBondContact O-N 3Å; I211-K213 PolarHBondContact O-N 3.15Å; K213-T215 VanDerWaalsContact C-N 3.35Å |
| 214 | E | 78.4 | Confident | 74.5 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81 | -17.9 | 175.9 | -68.5 | -59.4 | 150.9 | 0 | 0 | 112.9 | P134 I211 F212 K219 | P134-E214 HydrophobicContact CB-CB 4.2Å; I211-E214 WeakPolarHBondContact O-CA 3.22Å; I211-E214 WeakPolarHBondContact O-CB 3.38Å; I211-E214 PolarHBondContact O-N 3.25Å; F212-E214 PolarHBondContact O-N 3.27Å; E214-K219 PolarHBondContact O-NZ 3.48Å; E214-K219 IonicContact OE2-NZ 2.63Å; E214-K219 PolarHBondContact OE2-NZ 3.39Å |
| 215 | T | 78.8 | Confident | 72 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -73.7 | 153.4 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | P134 L138 I211 F212 K213 F217 H218 K219 | P134-T215 HydrophobicContact CB-CG2 4.17Å; L138-T215 HydrophobicContact CB-CG2 4.36Å; L138-T215 HydrophobicContact CD2-CG2 3.98Å; I211-T215 WeakPolarHBondContact O-CG2 3.35Å; I211-T215 PolarHBondContact O-N 3.3Å; F212-T215 WeakPolarHBondContact O-CB 3.46Å; F212-T215 PolarHBondContact O-N 3.11Å; F212-T215 VanDerWaalsContact O-N 3.07Å; F212-T215 PolarHBondContact O-OG1 2.84Å; K213-T215 VanDerWaalsContact C-N 3.35Å; T215-F217 HydrophobicContact CG2-CD2 4.41Å; T215-F217 PolarHBondContact O-N 3.1Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.47Å; T215-H218 PolarHBondContact O-N 3.07Å; T215-H218 VanDerWaalsContact O-N 3.17Å; T215-K219 PolarHBondContact O-N 2.76Å |
| 216 | P | 68.9 | Low | 69.2 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.8 | 172.7 | -20.6 | 31.9 | 0 | 0 | 0 | 114.1 | H218 | P216-H218 VanDerWaalsContact C-N 3.29Š|
| 217 | F | 69.4 | Low | 66.9 | Low | 145 Ų | 145 | 92.4 Ų | 92.4 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.1 | 177.7 | -55.2 | -55.8 | 0 | 0 | 0 | 113 | T135 F212 T215 | T135-F217 HydrophobicContact CG2-CE2 3.78Å; T135-F217 HydrophobicContact CG2-CZ 4.08Å; F212-F217 HydrophobicContact CE2-CB 3.94Å; F212-F217 HydrophobicContact CZ-CB 4.48Å; T215-F217 HydrophobicContact CG2-CD2 4.41Å; T215-F217 PolarHBondContact O-N 3.1Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.47Å |
| 218 | H | 72.1 | Confident | 64.2 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -26.5 | -179.6 | -171.2 | 62.6 | 0 | 0 | 0 | 113.3 | F212 T215 P216 D220 | F212-H218 HydrophobicContact CD1-CB 4.24Å; F212-H218 HydrophobicContact CE1-CB 3.9Å; F212-H218 AromaticContact CE1-ND1 3.79Å; F212-H218 HydrophobicContact CZ-CB 4.21Å; F212-H218 WeakPolarHBondContact O-CB 3.43Å; T215-H218 PolarHBondContact O-N 3.07Å; T215-H218 VanDerWaalsContact O-N 3.17Å; P216-H218 VanDerWaalsContact C-N 3.29Å; H218-D220 PolarHBondContact O-N 3.05Å |
| 219 | K | 65 | Low | 61.5 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -71.2 | 121.7 | 173 | -69.9 | 177.2 | -179.9 | 162.3 | 0 | 108.2 | E214 T215 | E214-K219 PolarHBondContact O-NZ 3.48Å; E214-K219 IonicContact OE2-NZ 2.63Å; E214-K219 PolarHBondContact OE2-NZ 3.39Å; T215-K219 PolarHBondContact O-N 2.76Å |
| 220 | D | 55.4 | Low | 59.1 | Low | 146 Ų | 146 | 100 Ų | 100 | 78% | 0.781 | 57% | 0.573 | S | S | * | * | trans | -50.7 | 139.6 | 171 | -75 | -50 | 0 | 0 | 0 | 109.1 | H218 N222 | H218-D220 PolarHBondContact O-N 3.05Å; D220-N222 VanDerWaalsContact C-N 3.26Å; D220-N222 PolarHBondContact O-N 2.83Å | ||
| 221 | P | 50.3 | Low | 56.5 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | trans | -60.9 | 99.8 | 168.2 | 26.1 | -30.4 | 0 | 0 | 0 | 106.1 | P223 | P221-P223 VanDerWaalsContact O-N 3.12Š| ||
| 222 | N | 47.1 | Very low | 54.7 | Low | 147 Ų | 147 | 108.6 Ų | 108.6 | 79% | 0.786 | 63% | 0.633 | S | S | * | * | trans | -54.3 | 125.7 | 177.9 | -141.5 | 15.2 | 0 | 0 | 0 | 106.2 | D220 A224 | D220-N222 VanDerWaalsContact C-N 3.26Å; D220-N222 PolarHBondContact O-N 2.83Å; N222-A224 PolarHBondContact O-N 3.01Å; N222-A224 VanDerWaalsContact O-N 3.1Å | ||
| 223 | P | 43.6 | Very low | 52.4 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | trans | -54.6 | 126.4 | 179.7 | 20.4 | -29.7 | 0 | 0 | 0 | 107 | P221 T225 | P221-P223 VanDerWaalsContact O-N 3.12Å; P223-T225 PolarHBondContact O-N 3.1Å | ||
| 224 | A | 40.6 | Very low | 50.3 | Low | 89 Ų | 89 | 116 Ų | 116 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -45.6 | 123.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | N222 T226 | N222-A224 PolarHBondContact O-N 3.01Å; N222-A224 VanDerWaalsContact O-N 3.1Å; A224-T226 VanDerWaalsContact C-N 3.34Å; A224-T226 PolarHBondContact O-N 3.19Å | ||
| 225 | T | 41.9 | Very low | 48.9 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | trans | -49.2 | 105.8 | 164.5 | 13.6 | 0 | 0 | 0 | 0 | 106.4 | P223 M227 | P223-T225 PolarHBondContact O-N 3.1Å; T225-M227 VanDerWaalsContact C-N 3.31Å; T225-M227 PolarHBondContact O-N 3.05Å | ||
| 226 | T | 36.9 | Very low | 47.3 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -60 | 99.5 | 175.5 | -12.7 | 0 | 0 | 0 | 0 | 106.3 | A224 E228 | A224-T226 VanDerWaalsContact C-N 3.34Å; A224-T226 PolarHBondContact O-N 3.19Å; T226-E228 PolarHBondContact O-N 2.83Å | ||
| 227 | M | 42.7 | Very low | 46.1 | Very low | 183 Ų | 183 | 127 Ų | 127 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 88 | 158.3 | -66.1 | -172.1 | -150.3 | 0 | 0 | 106.8 | T225 | T225-M227 VanDerWaalsContact C-N 3.31Å; T225-M227 PolarHBondContact O-N 3.05Å | ||
| 228 | E | 37.3 | Very low | 44.8 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -102 | 100.2 | 148 | -75 | -173.6 | 136.4 | 0 | 0 | 104.5 | T226 | T226-E228 PolarHBondContact O-N 2.83Š| ||
| 229 | G | 34.5 | Very low | 43.1 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | 69.3 | 73.2 | 51.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 230 | G | 36.6 | Very low | 41.6 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -67.2 | 164.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 231 | V | 32.6 | Very low | 40.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -144.1 | 141 | 154.2 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | P | 47.6 | Very low | 39.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -95.1 | 176.7 | -170.4 | 35.8 | -27.8 | 0 | 0 | 0 | 114.4 | ||||
| 233 | S | 37.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | 76.3 | 114.8 | 162.1 | 64.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 234 | S | 39.2 | Very low | 38.8 | Very low | 197 Ų | 197 | 128.5 Ų | 128.5 | 100% | 1.378 | 85% | 0.845 | S | S | * | * | -162.4 | 0 | 91.7 | -66.5 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 234 of 234 residues in 796.5 ms
(Link to these results)