| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.4 | Very low | 73.8 | Confident | 168 Ų | 168 | 74.7 Ų | 74.7 | 83% | 0.828 | 44% | 0.443 | S | S | * | . | 0 | 110.7 | 0 | -61.2 | 176.3 | -64.1 | 0 | 0 | 105 | Y236 | M1-Y236 WeakPolarHBondContact CE-OXT 3.25Š| |||
| 2 | G | 56.3 | Low | 75.2 | Confident | 44 Ų | 44 | 81 Ų | 81 | 45% | 0.454 | 46% | 0.455 | S | S | . | . | trans | -81.8 | 146.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | V | 63.7 | Low | 76.3 | Confident | 5 Ų | 5 | 80.9 Ų | 80.9 | 3% | 0.03 | 45% | 0.452 | C | S | . | . | trans | -49.9 | 140.1 | 173.1 | -92.4 | 0 | 0 | 0 | 0 | 111.3 | T7 K8 K11 E86 I230 | V3-T7 HydrophobicContact CB-CG2 4.03Å; V3-T7 HydrophobicContact CG1-CG2 3.73Å; V3-T7 HydrophobicContact CG2-CG2 4.46Å; V3-K8 WeakPolarHBondContact O-CD 3.41Å; V3-K8 WeakPolarHBondContact O-CE 2.92Å; V3-K8 WeakPolarHBondContact O-CG 3.37Å; V3-K11 HydrophobicContact CG2-CD 4.14Å; V3-E86 WeakPolarHBondContact CG2-OE1 3.45Å; V3-I230 HydrophobicContact CG1-CG1 4.34Å | ||
| 4 | E | 69.6 | Low | 77.4 | Confident | 162 Ų | 162 | 75.3 Ų | 75.3 | 76% | 0.757 | 42% | 0.421 | S | S | * | . | trans | -105.4 | 158.9 | -178.9 | -64 | -173.1 | 154.9 | 0 | 0 | 112.8 | ||||
| 5 | G | 75.5 | Confident | 78.4 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -136.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T7 K8 | G5-T7 PolarHBondContact O-N 3.08Å; G5-K8 WeakPolarHBondContact O-CB 3.42Å; G5-K8 PolarHBondContact O-N 3.23Å; G5-K8 VanDerWaalsContact O-N 3.08Å |
| 6 | C | 75.8 | Confident | 79.4 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 66% | 0.662 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.5 | -33.2 | -175.7 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | K8 C9 I10 | C6-K8 VanDerWaalsContact C-N 3.26Å; C6-K8 PolarHBondContact O-N 3.31Å; C6-C9 WeakPolarHBondContact O-CB 2.77Å; C6-C9 PolarHBondContact O-N 3.16Å; C6-I10 PolarHBondContact O-N 2.88Å |
| 7 | T | 79.3 | Confident | 80.2 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 20% | 0.202 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.1 | -25.3 | 179.9 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | V3 G5 K11 L226 | V3-T7 HydrophobicContact CB-CG2 4.03Å; V3-T7 HydrophobicContact CG1-CG2 3.73Å; V3-T7 HydrophobicContact CG2-CG2 4.46Å; G5-T7 PolarHBondContact O-N 3.08Å; T7-K11 WeakPolarHBondContact O-CB 3.21Å; T7-K11 PolarHBondContact O-N 3.05Å; T7-L226 HydrophobicContact CG2-CD1 3.86Å |
| 8 | K | 82.9 | Confident | 80.9 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 169.4 | -71.7 | -168.1 | 175.8 | 174.9 | 0 | 111.6 | V3 G5 C6 I10 K11 Y12 | V3-K8 WeakPolarHBondContact O-CD 3.41Å; V3-K8 WeakPolarHBondContact O-CE 2.92Å; V3-K8 WeakPolarHBondContact O-CG 3.37Å; G5-K8 WeakPolarHBondContact O-CB 3.42Å; G5-K8 PolarHBondContact O-N 3.23Å; G5-K8 VanDerWaalsContact O-N 3.08Å; C6-K8 VanDerWaalsContact C-N 3.26Å; C6-K8 PolarHBondContact O-N 3.31Å; K8-I10 VanDerWaalsContact C-N 3.33Å; K8-I10 PolarHBondContact O-N 3.21Å; K8-K11 WeakPolarHBondContact O-CB 3.32Å; K8-K11 PolarHBondContact O-N 2.97Å; K8-Y12 WeakPolarHBondContact O-CD2 3.38Å; K8-Y12 PolarHBondContact O-N 3.04Å; K8-Y12 VanDerWaalsContact O-N 3.07Å |
| 9 | C | 85.9 | Confident | 81.7 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 58% | 0.581 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | C6 K11 Y12 L13 | C6-C9 WeakPolarHBondContact O-CB 2.77Å; C6-C9 PolarHBondContact O-N 3.16Å; C9-K11 PolarHBondContact O-N 2.85Å; C9-Y12 PolarHBondContact O-N 3.35Å; C9-L13 WeakPolarHBondContact O-CB 3.15Å; C9-L13 PolarHBondContact O-N 3.34Å |
| 10 | I | 86.9 | Confident | 82.4 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.4 | -65.5 | 171.1 | 0 | 0 | 0 | 111.4 | C6 K8 Y12 L13 L14 L222 V225 L226 | C6-I10 PolarHBondContact O-N 2.88Å; K8-I10 VanDerWaalsContact C-N 3.33Å; K8-I10 PolarHBondContact O-N 3.21Å; I10-Y12 PolarHBondContact O-N 3.06Å; I10-L13 PolarHBondContact O-N 3.15Å; I10-L14 HydrophobicContact CG2-CD1 4.43Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 PolarHBondContact O-N 3.22Å; I10-L222 HydrophobicContact CG1-CD2 4.45Å; I10-L222 HydrophobicContact CG2-CB 4.22Å; I10-L222 HydrophobicContact CG2-CD2 3.99Å; I10-V225 HydrophobicContact CD1-CG1 3.71Å; I10-L226 HydrophobicContact CG2-CB 4.42Å |
| 11 | K | 88.4 | Confident | 82.9 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55 | -50.9 | 176.7 | 175.7 | -179.7 | 174.1 | 164.9 | 0 | 112 | V3 T7 K8 C9 F15 A83 I84 E86 L226 | V3-K11 HydrophobicContact CG2-CD 4.14Å; T7-K11 WeakPolarHBondContact O-CB 3.21Å; T7-K11 PolarHBondContact O-N 3.05Å; K8-K11 WeakPolarHBondContact O-CB 3.32Å; K8-K11 PolarHBondContact O-N 2.97Å; C9-K11 PolarHBondContact O-N 2.85Å; K11-F15 WeakPolarHBondContact O-CB 3.37Å; K11-F15 PolarHBondContact O-N 3.5Å; K11-A83 WeakPolarHBondContact CE-O 3.38Å; K11-I84 PolarHBondContact NZ-O 3.31Å; K11-E86 IonicContact NZ-OE1 3.1Å; K11-E86 PolarHBondContact NZ-OE1 3.1Å; K11-L226 HydrophobicContact CB-CD1 4.02Å |
| 12 | Y | 90.1 | Very high | 85.3 | Confident | 150 Ų | 150 | 66.9 Ų | 66.9 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.1 | -36.2 | -179.2 | -75.2 | -70.2 | 0 | 0 | 0 | 112.4 | K8 C9 I10 F15 V16 | K8-Y12 WeakPolarHBondContact O-CD2 3.38Å; K8-Y12 PolarHBondContact O-N 3.04Å; K8-Y12 VanDerWaalsContact O-N 3.07Å; C9-Y12 PolarHBondContact O-N 3.35Å; I10-Y12 PolarHBondContact O-N 3.06Å; Y12-F15 PolarHBondContact O-N 3.3Å; Y12-V16 WeakPolarHBondContact O-CB 3.49Å; Y12-V16 VanDerWaalsContact O-CG2 3.29Å; Y12-V16 WeakPolarHBondContact O-CG2 3.45Å; Y12-V16 PolarHBondContact O-N 3.07Å |
| 13 | L | 90.2 | Very high | 87.2 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 176 | -165.1 | 162.4 | 0 | 0 | 0 | 110.8 | C9 I10 F15 V16 F17 F218 L222 | C9-L13 WeakPolarHBondContact O-CB 3.15Å; C9-L13 PolarHBondContact O-N 3.34Å; I10-L13 PolarHBondContact O-N 3.15Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.23Å; L13-V16 PolarHBondContact O-N 3.06Å; L13-F17 VanDerWaalsContact O-CB 3.28Å; L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.27Å; L13-F218 HydrophobicContact CD2-CE1 4.04Å; L13-L222 HydrophobicContact CD2-CD1 3.84Å |
| 14 | L | 90.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 175.7 | -106.6 | 170.8 | 0 | 0 | 0 | 111.7 | I10 N18 A83 F94 L222 L226 | I10-L14 HydrophobicContact CG2-CD1 4.43Å; I10-L14 WeakPolarHBondContact O-CB 3.37Å; I10-L14 PolarHBondContact O-N 3.22Å; L14-N18 WeakPolarHBondContact CD2-ND2 3.45Å; L14-N18 VanDerWaalsContact O-CB 3.29Å; L14-N18 WeakPolarHBondContact O-CB 3.12Å; L14-N18 PolarHBondContact O-N 2.68Å; L14-N18 PolarHBondContact O-ND2 2.94Å; L14-A83 HydrophobicContact CB-CB 4.47Å; L14-F94 HydrophobicContact CD2-CE1 4.25Å; L14-L222 HydrophobicContact CD1-CB 3.68Å; L14-L222 HydrophobicContact CD2-CB 4.36Å; L14-L222 HydrophobicContact CG-CB 3.82Å; L14-L222 HydrophobicContact CG-CD1 4.15Å; L14-L226 HydrophobicContact CD1-CB 4.29Å; L14-L226 HydrophobicContact CD1-CD2 3.83Å |
| 15 | F | 93.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 23% | 0.232 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -53.3 | 178.8 | 171.1 | -106.5 | 0 | 0 | 0 | 111.8 | K11 Y12 L13 F17 N18 F19 C80 A83 I84 | K11-F15 WeakPolarHBondContact O-CB 3.37Å; K11-F15 PolarHBondContact O-N 3.5Å; Y12-F15 PolarHBondContact O-N 3.3Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.23Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-F17 PolarHBondContact O-N 3.48Å; F15-N18 PolarHBondContact O-N 3.33Å; F15-F19 HydrophobicContact CE2-CB 4.42Å; F15-F19 HydrophobicContact CE2-CD2 4.34Å; F15-F19 HydrophobicContact CZ-CB 4.43Å; F15-F19 HydrophobicContact CZ-CD2 4.25Å; F15-F19 HydrophobicContact CZ-CG 4.35Å; F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.45Å; F15-C80 HydrophobicContact CD2-CB 3.99Å; F15-C80 HydrophobicContact CE2-CB 4.06Å; F15-A83 HydrophobicContact CB-CB 4.3Å; F15-I84 HydrophobicContact CD2-CD1 3.45Å; F15-I84 VanDerWaalsContact CD2-CD1 3.45Å; F15-I84 HydrophobicContact CD2-CG1 3.63Å; F15-I84 HydrophobicContact CE2-CD1 3.13Å; F15-I84 HydrophobicContact CE2-CG1 3.88Å; F15-I84 HydrophobicContact CG-CD1 4.34Å; F15-I84 HydrophobicContact CG-CG1 4.24Å; F15-I84 HydrophobicContact CZ-CD1 3.77Å |
| 16 | V | 94 | Very high | 91.1 | Very high | 86 Ų | 86 | 61.2 Ų | 61.2 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | -177.5 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | Y12 L13 F19 V20 | Y12-V16 WeakPolarHBondContact O-CB 3.49Å; Y12-V16 VanDerWaalsContact O-CG2 3.29Å; Y12-V16 WeakPolarHBondContact O-CG2 3.45Å; Y12-V16 PolarHBondContact O-N 3.07Å; L13-V16 PolarHBondContact O-N 3.06Å; V16-F19 PolarHBondContact O-N 2.99Å; V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 3.46Å; V16-V20 VanDerWaalsContact O-N 3.1Å |
| 17 | F | 92.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -51.8 | -179.7 | -169.7 | -102.6 | 0 | 0 | 0 | 111.3 | L13 F15 F19 V20 F21 I215 E219 | L13-F17 VanDerWaalsContact O-CB 3.28Å; L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.27Å; F15-F17 VanDerWaalsContact C-N 3.34Å; F15-F17 PolarHBondContact O-N 3.48Å; F17-F19 PolarHBondContact O-N 3.48Å; F17-V20 WeakPolarHBondContact O-CB 3.29Å; F17-V20 PolarHBondContact O-N 2.92Å; F17-F21 AromaticContact CD1-CD2 3.86Å; F17-F21 HydrophobicContact CD1-CD2 3.86Å; F17-F21 AromaticContact CD1-CE2 3.64Å; F17-F21 HydrophobicContact CD1-CE2 3.64Å; F17-F21 HydrophobicContact CD2-CE2 4.13Å; F17-F21 AromaticContact CE1-CD2 3.79Å; F17-F21 HydrophobicContact CE1-CD2 3.79Å; F17-F21 AromaticContact CE1-CE2 3.16Å; F17-F21 HydrophobicContact CE1-CE2 3.16Å; F17-F21 HydrophobicContact CE1-CZ 4.01Å; F17-F21 AromaticContact CE2-CE2 3.72Å; F17-F21 HydrophobicContact CE2-CE2 3.72Å; F17-F21 HydrophobicContact CE2-CZ 4.43Å; F17-F21 HydrophobicContact CG-CD2 4.39Å; F17-F21 HydrophobicContact CG-CE2 4.12Å; F17-F21 HydrophobicContact CZ-CD2 4.26Å; F17-F21 AromaticContact CZ-CE2 3.24Å; F17-F21 HydrophobicContact CZ-CE2 3.24Å; F17-F21 AromaticContact CZ-CZ 3.82Å; F17-F21 HydrophobicContact CZ-CZ 3.82Å; F17-F21 VanDerWaalsContact O-CD2 3.25Å; F17-F21 WeakPolarHBondContact O-CD2 3.49Å; F17-F21 PolarHBondContact O-N 3.39Å; F17-I215 HydrophobicContact CE1-CG2 3.47Å; F17-I215 VanDerWaalsContact CE1-CG2 3.47Å; F17-I215 HydrophobicContact CZ-CB 4.39Å; F17-I215 HydrophobicContact CZ-CD1 4.35Å; F17-I215 HydrophobicContact CZ-CG1 4.18Å; F17-I215 HydrophobicContact CZ-CG2 3.39Å; F17-E219 HydrophobicContact CD1-CG 4.12Å; F17-E219 WeakPolarHBondContact CD1-OE1 3.47Å; F17-E219 HydrophobicContact CE1-CG 3.88Å; F17-E219 VanDerWaalsContact CE1-OE1 3.3Å; F17-E219 WeakPolarHBondContact CE1-OE1 3.38Å |
| 18 | N | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -29 | 178.4 | -83.4 | -95.7 | 0 | 0 | 0 | 112.5 | L14 F15 F21 W22 C80 F94 E219 | L14-N18 WeakPolarHBondContact CD2-ND2 3.45Å; L14-N18 VanDerWaalsContact O-CB 3.29Å; L14-N18 WeakPolarHBondContact O-CB 3.12Å; L14-N18 PolarHBondContact O-N 2.68Å; L14-N18 PolarHBondContact O-ND2 2.94Å; F15-N18 PolarHBondContact O-N 3.33Å; N18-F21 PolarHBondContact O-N 2.83Å; N18-W22 WeakPolarHBondContact O-CB 3.27Å; N18-W22 PolarHBondContact O-N 3.29Å; N18-C80 VanDerWaalsContact CB-SG 3.57Å; N18-C80 PolarHBondContact O-SG 2.89Å; N18-F94 WeakPolarHBondContact OD1-CE2 3.27Å; N18-F94 VanDerWaalsContact OD1-CZ 3.27Å; N18-F94 WeakPolarHBondContact OD1-CZ 3.46Å; N18-E219 PolarHBondContact ND2-OE1 3.47Å; N18-E219 PolarHBondContact OD1-OE1 3.45Å |
| 19 | F | 95.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.5 | -36.9 | 178.9 | -174 | -104.3 | 0 | 0 | 0 | 111.1 | F15 V16 F17 W22 L23 C80 | F15-F19 HydrophobicContact CE2-CB 4.42Å; F15-F19 HydrophobicContact CE2-CD2 4.34Å; F15-F19 HydrophobicContact CZ-CB 4.43Å; F15-F19 HydrophobicContact CZ-CD2 4.25Å; F15-F19 HydrophobicContact CZ-CG 4.35Å; F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.45Å; V16-F19 PolarHBondContact O-N 2.99Å; F17-F19 PolarHBondContact O-N 3.48Å; F19-W22 AromaticContact CD2-CE3 3.78Å; F19-W22 HydrophobicContact CD2-CE3 3.78Å; F19-W22 HydrophobicContact CD2-CZ3 4.25Å; F19-W22 AromaticContact CE2-CE3 3.49Å; F19-W22 HydrophobicContact CE2-CE3 3.49Å; F19-W22 VanDerWaalsContact CE2-CE3 3.49Å; F19-W22 AromaticContact CE2-CZ3 3.49Å; F19-W22 HydrophobicContact CE2-CZ3 3.49Å; F19-W22 VanDerWaalsContact CE2-CZ3 3.49Å; F19-W22 HydrophobicContact CZ-CE3 4.19Å; F19-W22 HydrophobicContact CZ-CZ3 4Å; F19-W22 PolarHBondContact O-N 2.93Å; F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CD1-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CG 4.15Å; F19-L23 HydrophobicContact CZ-CD1 4.11Å; F19-L23 HydrophobicContact CZ-CD2 4.43Å; F19-L23 HydrophobicContact CZ-CG 4.31Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.41Å; F19-C80 WeakPolarHBondContact CA-SG 3.35Å; F19-C80 PolarHBondContact N-SG 3.27Å |
| 20 | V | 95.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | V16 F17 W22 L23 A24 | V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 3.46Å; V16-V20 VanDerWaalsContact O-N 3.1Å; F17-V20 WeakPolarHBondContact O-CB 3.29Å; F17-V20 PolarHBondContact O-N 2.92Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 3.43Å; V20-L23 PolarHBondContact O-N 3.35Å; V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.48Å |
| 21 | F | 93.5 | Very high | 94 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 31% | 0.311 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.4 | -79.7 | -78.6 | 0 | 0 | 0 | 113 | F17 N18 A24 G25 I215 | F17-F21 AromaticContact CD1-CD2 3.86Å; F17-F21 HydrophobicContact CD1-CD2 3.86Å; F17-F21 AromaticContact CD1-CE2 3.64Å; F17-F21 HydrophobicContact CD1-CE2 3.64Å; F17-F21 HydrophobicContact CD2-CE2 4.13Å; F17-F21 AromaticContact CE1-CD2 3.79Å; F17-F21 HydrophobicContact CE1-CD2 3.79Å; F17-F21 AromaticContact CE1-CE2 3.16Å; F17-F21 HydrophobicContact CE1-CE2 3.16Å; F17-F21 HydrophobicContact CE1-CZ 4.01Å; F17-F21 AromaticContact CE2-CE2 3.72Å; F17-F21 HydrophobicContact CE2-CE2 3.72Å; F17-F21 HydrophobicContact CE2-CZ 4.43Å; F17-F21 HydrophobicContact CG-CD2 4.39Å; F17-F21 HydrophobicContact CG-CE2 4.12Å; F17-F21 HydrophobicContact CZ-CD2 4.26Å; F17-F21 AromaticContact CZ-CE2 3.24Å; F17-F21 HydrophobicContact CZ-CE2 3.24Å; F17-F21 AromaticContact CZ-CZ 3.82Å; F17-F21 HydrophobicContact CZ-CZ 3.82Å; F17-F21 VanDerWaalsContact O-CD2 3.25Å; F17-F21 WeakPolarHBondContact O-CD2 3.49Å; F17-F21 PolarHBondContact O-N 3.39Å; N18-F21 PolarHBondContact O-N 2.83Å; F21-A24 PolarHBondContact O-N 2.9Å; F21-G25 PolarHBondContact O-N 2.88Å; F21-I215 HydrophobicContact CZ-CG2 4.44Å |
| 22 | W | 97.1 | Very high | 94.1 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.6 | 176.8 | 68.5 | 0 | 0 | 0 | 111.6 | N18 F19 V20 G25 G26 M73 | N18-W22 WeakPolarHBondContact O-CB 3.27Å; N18-W22 PolarHBondContact O-N 3.29Å; F19-W22 AromaticContact CD2-CE3 3.78Å; F19-W22 HydrophobicContact CD2-CE3 3.78Å; F19-W22 HydrophobicContact CD2-CZ3 4.25Å; F19-W22 AromaticContact CE2-CE3 3.49Å; F19-W22 HydrophobicContact CE2-CE3 3.49Å; F19-W22 VanDerWaalsContact CE2-CE3 3.49Å; F19-W22 AromaticContact CE2-CZ3 3.49Å; F19-W22 HydrophobicContact CE2-CZ3 3.49Å; F19-W22 VanDerWaalsContact CE2-CZ3 3.49Å; F19-W22 HydrophobicContact CZ-CE3 4.19Å; F19-W22 HydrophobicContact CZ-CZ3 4Å; F19-W22 PolarHBondContact O-N 2.93Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 3.43Å; W22-G25 PolarHBondContact O-N 3.25Å; W22-G26 PolarHBondContact O-N 2.86Å; W22-M73 VanDerWaalsContact CD1-O 3.22Å; W22-M73 HydrophobicContact CZ2-CE 4.37Å |
| 23 | L | 97.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.2 | -70.1 | 179.3 | 0 | 0 | 0 | 112 | F19 V20 G25 G26 V27 | F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CD1-CG 4.47Å; F19-L23 HydrophobicContact CE1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CG 4.15Å; F19-L23 HydrophobicContact CZ-CD1 4.11Å; F19-L23 HydrophobicContact CZ-CD2 4.43Å; F19-L23 HydrophobicContact CZ-CG 4.31Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.41Å; V20-L23 PolarHBondContact O-N 3.35Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.42Å; L23-G26 PolarHBondContact O-N 3.04Å; L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 3.49Å |
| 24 | A | 96.1 | Very high | 94 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V20 F21 V27 I28 | V20-A24 WeakPolarHBondContact O-CB 3.46Å; V20-A24 PolarHBondContact O-N 3.48Å; F21-A24 PolarHBondContact O-N 2.9Å; A24-V27 PolarHBondContact O-N 2.99Å; A24-I28 WeakPolarHBondContact O-CG1 3.43Å; A24-I28 PolarHBondContact O-N 3.07Å |
| 25 | G | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | F21 W22 L23 I28 L29 | F21-G25 PolarHBondContact O-N 2.88Å; W22-G25 PolarHBondContact O-N 3.25Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.42Å; G25-I28 PolarHBondContact O-N 3.44Å; G25-L29 VanDerWaalsContact O-CB 3.24Å; G25-L29 WeakPolarHBondContact O-CB 3.15Å; G25-L29 PolarHBondContact O-N 3.49Å |
| 26 | G | 97.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W22 L23 G30 | W22-G26 PolarHBondContact O-N 2.86Å; L23-G26 PolarHBondContact O-N 3.04Å; G26-G30 PolarHBondContact O-N 3.43Å |
| 27 | V | 96.9 | Very high | 92.2 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.3 | -47.8 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | L23 A24 L29 G30 V31 | L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 3.49Å; A24-V27 PolarHBondContact O-N 2.99Å; V27-L29 PolarHBondContact O-N 2.92Å; V27-G30 PolarHBondContact O-N 3.1Å; V27-V31 HydrophobicContact CG1-CG2 4.5Å; V27-V31 WeakPolarHBondContact O-CG2 3.4Å; V27-V31 PolarHBondContact O-N 3.3Å |
| 28 | I | 94.9 | Very high | 90.9 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 179.4 | -71.9 | 170.1 | 0 | 0 | 0 | 110.7 | A24 G25 V31 A32 L65 M72 | A24-I28 WeakPolarHBondContact O-CG1 3.43Å; A24-I28 PolarHBondContact O-N 3.07Å; G25-I28 PolarHBondContact O-N 3.44Å; I28-V31 PolarHBondContact O-N 3.42Å; I28-A32 VanDerWaalsContact O-CB 3.29Å; I28-A32 WeakPolarHBondContact O-CB 3.14Å; I28-A32 PolarHBondContact O-N 3.43Å; I28-L65 HydrophobicContact CG2-CD1 3.74Å; I28-L65 HydrophobicContact CG2-CG 3.88Å; I28-M72 HydrophobicContact CB-CE 4.23Å; I28-M72 HydrophobicContact CD1-CE 3.4Å; I28-M72 HydrophobicContact CG1-CE 4.37Å; I28-M72 HydrophobicContact CG2-CE 4.24Å |
| 29 | L | 95.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.2 | -178.1 | 60.7 | 0 | 0 | 0 | 111.5 | G25 V27 A32 L33 I66 A70 M73 | G25-L29 VanDerWaalsContact O-CB 3.24Å; G25-L29 WeakPolarHBondContact O-CB 3.15Å; G25-L29 PolarHBondContact O-N 3.49Å; V27-L29 PolarHBondContact O-N 2.92Å; L29-A32 PolarHBondContact O-N 2.91Å; L29-L33 HydrophobicContact CD1-CD1 4.18Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 4.04Å; L29-L33 HydrophobicContact CG-CG 4.43Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 2.98Å; L29-I66 HydrophobicContact CD1-CB 4.42Å; L29-I66 HydrophobicContact CD1-CG2 3.87Å; L29-A70 HydrophobicContact CD1-CB 4.36Å; L29-M73 HydrophobicContact CD2-SD 4.09Å |
| 30 | G | 94 | Very high | 87 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G26 V27 L33 W34 | G26-G30 PolarHBondContact O-N 3.43Å; V27-G30 PolarHBondContact O-N 3.1Å; G30-L33 PolarHBondContact O-N 3.46Å; G30-W34 VanDerWaalsContact O-CB 3.29Å; G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 3.5Å |
| 31 | V | 91.1 | Very high | 84.8 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | V27 I28 W34 L35 | V27-V31 HydrophobicContact CG1-CG2 4.5Å; V27-V31 WeakPolarHBondContact O-CG2 3.4Å; V27-V31 PolarHBondContact O-N 3.3Å; I28-V31 PolarHBondContact O-N 3.42Å; V31-W34 WeakPolarHBondContact O-CB 3.45Å; V31-W34 PolarHBondContact O-N 2.96Å; V31-L35 HydrophobicContact CG1-CD1 4.22Å; V31-L35 HydrophobicContact CG1-CG 4.41Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 3.04Å |
| 32 | A | 90.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I28 L29 L35 R36 I62 L65 I66 | I28-A32 VanDerWaalsContact O-CB 3.29Å; I28-A32 WeakPolarHBondContact O-CB 3.14Å; I28-A32 PolarHBondContact O-N 3.43Å; L29-A32 PolarHBondContact O-N 2.91Å; A32-L35 PolarHBondContact O-N 3.04Å; A32-R36 WeakPolarHBondContact O-CB 3.27Å; A32-R36 PolarHBondContact O-N 2.87Å; A32-I62 WeakPolarHBondContact O-CG2 3.35Å; A32-L65 HydrophobicContact CB-CB 3.93Å; A32-L65 HydrophobicContact CB-CD2 3.78Å; A32-L65 HydrophobicContact CB-CG 3.81Å; A32-I66 HydrophobicContact CB-CB 4.43Å; A32-I66 HydrophobicContact CB-CG1 3.56Å |
| 33 | L | 90.6 | Very high | 80.2 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 174.1 | -71.3 | 174.5 | 0 | 0 | 0 | 111.6 | L29 G30 R36 H37 I66 | L29-L33 HydrophobicContact CD1-CD1 4.18Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 4.04Å; L29-L33 HydrophobicContact CG-CG 4.43Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 2.98Å; G30-L33 PolarHBondContact O-N 3.46Å; L33-R36 PolarHBondContact O-N 3.43Å; L33-R36 VanDerWaalsContact O-N 3.15Å; L33-H37 WeakPolarHBondContact O-CB 3.29Å; L33-H37 PolarHBondContact O-N 3.02Å; L33-I66 HydrophobicContact CD2-CD1 4.17Å; L33-I66 HydrophobicContact CD2-CG1 4.48Å |
| 34 | W | 87.6 | Confident | 77.8 | Confident | 176 Ų | 176 | 62.3 Ų | 62.3 | 67% | 0.667 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 173.2 | 177.4 | -93 | 0 | 0 | 0 | 111.7 | G30 V31 R36 H37 N142 | G30-W34 VanDerWaalsContact O-CB 3.29Å; G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 3.5Å; V31-W34 WeakPolarHBondContact O-CB 3.45Å; V31-W34 PolarHBondContact O-N 2.96Å; W34-R36 PolarHBondContact O-N 3.4Å; W34-H37 PolarHBondContact O-N 3.39Å; W34-N142 PolarHBondContact NE1-OD1 3.29Å; W34-N142 PolarHBondContact O-ND2 3.29Å |
| 35 | L | 83.8 | Confident | 75.5 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -32 | 174.1 | -67.8 | 175.5 | 0 | 0 | 0 | 112.3 | V31 A32 I62 L65 N142 V146 | V31-L35 HydrophobicContact CG1-CD1 4.22Å; V31-L35 HydrophobicContact CG1-CG 4.41Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 3.04Å; A32-L35 PolarHBondContact O-N 3.04Å; L35-I62 HydrophobicContact CB-CD1 4.05Å; L35-I62 HydrophobicContact CB-CG1 4.29Å; L35-I62 HydrophobicContact CB-CG2 4.46Å; L35-L65 HydrophobicContact CD1-CD2 4.43Å; L35-N142 HydrophobicContact CD2-CB 3.8Å; L35-V146 HydrophobicContact CD1-CG2 4.04Å; L35-V146 HydrophobicContact CD2-CG2 3.83Å |
| 36 | R | 82.3 | Confident | 73.1 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78 | -33.7 | -179.9 | -179.6 | 58.8 | -176 | 88.5 | -2.6 | 113.9 | A32 L33 W34 I62 Y63 I66 | A32-R36 WeakPolarHBondContact O-CB 3.27Å; A32-R36 PolarHBondContact O-N 2.87Å; L33-R36 PolarHBondContact O-N 3.43Å; L33-R36 VanDerWaalsContact O-N 3.15Å; W34-R36 PolarHBondContact O-N 3.4Å; R36-I62 HydrophobicContact CB-CG2 3.97Å; R36-Y63 PolarHBondContact NE-OH 3.18Å; R36-Y63 PolarHBondContact NH2-OH 3.18Å; R36-Y63 VanDerWaalsContact NH2-OH 3.12Å; R36-I66 HydrophobicContact CB-CD1 4.25Å; R36-I66 HydrophobicContact CG-CD1 4.36Å |
| 37 | H | 72.9 | Confident | 70.7 | Confident | 137 Ų | 137 | 81.6 Ų | 81.6 | 63% | 0.634 | 42% | 0.417 | S | S | * | . | trans | -93.9 | 19 | -171.8 | -99.9 | -44 | 0 | 0 | 0 | 114.4 | L33 W34 P39 | L33-H37 WeakPolarHBondContact O-CB 3.29Å; L33-H37 PolarHBondContact O-N 3.02Å; W34-H37 PolarHBondContact O-N 3.39Å; H37-P39 VanDerWaalsContact O-CD 3.26Å; H37-P39 WeakPolarHBondContact O-CD 3.34Å; H37-P39 VanDerWaalsContact O-N 3.07Å | ||
| 38 | D | 65.8 | Low | 68.4 | Low | 21 Ų | 21 | 81.1 Ų | 81.1 | 11% | 0.112 | 41% | 0.409 | C | S | . | . | trans | -56.6 | 114.6 | 172.2 | -155.7 | -35.6 | 0 | 0 | 0 | 110.4 | Q40 T41 N142 | D38-Q40 PolarHBondContact O-N 3.01Å; D38-T41 HydrophobicContact CB-CG2 4.16Å; D38-T41 PolarHBondContact O-N 3.36Å; D38-T41 PolarHBondContact O-OG1 3.32Å; D38-N142 VanDerWaalsContact CB-ND2 3.27Å; D38-N142 WeakPolarHBondContact CB-ND2 3.38Å; D38-N142 WeakPolarHBondContact OD2-CB 3.37Å; D38-N142 PolarHBondContact OD2-ND2 3.22Å | ||
| 39 | P | 52.9 | Low | 66.2 | Low | 88 Ų | 88 | 86.5 Ų | 86.5 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.9 | -170.6 | 19.7 | -32.2 | 0 | 0 | 0 | 114.6 | H37 T42 | H37-P39 VanDerWaalsContact O-CD 3.26Å; H37-P39 WeakPolarHBondContact O-CD 3.34Å; H37-P39 VanDerWaalsContact O-N 3.07Å; P39-T42 PolarHBondContact O-OG1 2.97Å |
| 40 | Q | 54.3 | Low | 63.7 | Low | 100 Ų | 100 | 87.5 Ų | 87.5 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -21.2 | 179.3 | -61.3 | -68.8 | -38.8 | 0 | 0 | 113.4 | D38 | D38-Q40 PolarHBondContact O-N 3.01Š|
| 41 | T | 49.9 | Very low | 61.3 | Low | 19 Ų | 19 | 93.4 Ų | 93.4 | 12% | 0.117 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -76.1 | -31 | 177.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | D38 N43 L44 L45 Y59 | D38-T41 HydrophobicContact CB-CG2 4.16Å; D38-T41 PolarHBondContact O-N 3.36Å; D38-T41 PolarHBondContact O-OG1 3.32Å; T41-N43 VanDerWaalsContact C-N 3.3Å; T41-N43 PolarHBondContact O-N 3.16Å; T41-L44 PolarHBondContact O-N 3.48Å; T41-L45 PolarHBondContact O-N 2.93Å; T41-Y59 WeakPolarHBondContact CB-OH 3.13Å; T41-Y59 WeakPolarHBondContact CG2-OH 3.43Å |
| 42 | T | 49.2 | Very low | 58.9 | Low | 59 Ų | 59 | 97.9 Ų | 97.9 | 36% | 0.362 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -27.5 | 174.5 | 26.7 | 0 | 0 | 0 | 0 | 113.2 | P39 L45 Y46 | P39-T42 PolarHBondContact O-OG1 2.97Å; T42-L45 PolarHBondContact O-N 3.19Å; T42-Y46 PolarHBondContact O-N 3.39Å; T42-Y46 VanDerWaalsContact O-N 3.16Å |
| 43 | N | 44.2 | Very low | 56.6 | Low | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.4 | -32.6 | 177.5 | -76.7 | -38.7 | 0 | 0 | 0 | 112.9 | T41 L47 | T41-N43 VanDerWaalsContact C-N 3.3Å; T41-N43 PolarHBondContact O-N 3.16Å; N43-L47 PolarHBondContact O-N 2.99Å |
| 44 | L | 47.9 | Very low | 54.5 | Low | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | 170.8 | -73.3 | 171.7 | 0 | 0 | 0 | 111.5 | T41 Y46 L47 E48 | T41-L44 PolarHBondContact O-N 3.48Å; L44-Y46 VanDerWaalsContact C-N 3.3Å; L44-Y46 PolarHBondContact O-N 2.94Å; L44-L47 PolarHBondContact O-N 3.36Å; L44-E48 WeakPolarHBondContact O-CB 3.29Å; L44-E48 PolarHBondContact O-N 3.37Å; L44-E48 VanDerWaalsContact O-N 3.11Å |
| 45 | L | 47 | Very low | 52.8 | Low | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.2 | -27.4 | 177.1 | -162.7 | 71.5 | 0 | 0 | 0 | 113.3 | T41 T42 | T41-L45 PolarHBondContact O-N 2.93Å; T42-L45 PolarHBondContact O-N 3.19Å |
| 46 | Y | 46.3 | Very low | 51.6 | Low | 212 Ų | 212 | 101.4 Ų | 101.4 | 83% | 0.831 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -84.4 | -19.1 | 177.5 | -135.8 | -90.4 | 0 | 0 | 0 | 113.4 | T42 L44 | T42-Y46 PolarHBondContact O-N 3.39Å; T42-Y46 VanDerWaalsContact O-N 3.16Å; L44-Y46 VanDerWaalsContact C-N 3.3Å; L44-Y46 PolarHBondContact O-N 2.94Å |
| 47 | L | 46.4 | Very low | 50.9 | Low | 150 Ų | 150 | 100.5 Ų | 100.5 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -97.6 | -17.6 | 178.1 | -103.4 | 167.7 | 0 | 0 | 0 | 114.1 | N43 L44 | N43-L47 PolarHBondContact O-N 2.99Å; L44-L47 PolarHBondContact O-N 3.36Å |
| 48 | E | 48.8 | Very low | 50.8 | Low | 89 Ų | 89 | 95 Ų | 95 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | trans | -107.4 | 34.5 | -175.9 | -74.7 | -153.6 | 118.1 | 0 | 0 | 115.1 | L44 G50 A54 | L44-E48 WeakPolarHBondContact O-CB 3.29Å; L44-E48 PolarHBondContact O-N 3.37Å; L44-E48 VanDerWaalsContact O-N 3.11Å; E48-G50 PolarHBondContact O-N 2.89Å; E48-A54 VanDerWaalsContact OE2-CB 3.25Å; E48-A54 WeakPolarHBondContact OE2-CB 3.31Å | ||
| 49 | L | 50.2 | Low | 51.3 | Low | 168 Ų | 168 | 96.9 Ų | 96.9 | 88% | 0.88 | 52% | 0.519 | S | S | * | . | trans | -77.3 | 23.5 | 156.2 | -91.7 | 138.4 | 0 | 0 | 0 | 112.2 | ||||
| 50 | G | 43.1 | Very low | 52.8 | Low | 54 Ų | 54 | 96.3 Ų | 96.3 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -131.1 | 74.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E48 K52 | E48-G50 PolarHBondContact O-N 2.89Å; G50-K52 PolarHBondContact O-N 3.31Å |
| 51 | D | 42.6 | Very low | 54.2 | Low | 163 Ų | 163 | 92.7 Ų | 92.7 | 87% | 0.872 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 70.8 | 34.8 | 142.8 | -146 | 28 | 0 | 0 | 0 | 119.7 | ||
| 52 | K | 41.4 | Very low | 55.9 | Low | 168 Ų | 168 | 91.9 Ų | 91.9 | 73% | 0.73 | 50% | 0.499 | S | S | * | . | trans | -147.2 | 141.5 | 158.2 | -70.5 | -159.4 | 175.9 | 92.2 | 0 | 113.1 | G50 A54 | G50-K52 PolarHBondContact O-N 3.31Å; K52-A54 PolarHBondContact O-N 3.35Å | ||
| 53 | P | 42.3 | Very low | 57.8 | Low | 128 Ų | 128 | 94.6 Ų | 94.6 | 83% | 0.831 | 50% | 0.503 | S | S | * | . | trans | -81.1 | 102.9 | 177.9 | 31.5 | -30.2 | 0 | 0 | 0 | 110.4 | ||||
| 54 | A | 45.8 | Very low | 60.1 | Low | 39 Ų | 39 | 94.7 Ų | 94.7 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | trans | -77.3 | 168.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E48 K52 N56 | E48-A54 VanDerWaalsContact OE2-CB 3.25Å; E48-A54 WeakPolarHBondContact OE2-CB 3.31Å; K52-A54 PolarHBondContact O-N 3.35Å; A54-N56 PolarHBondContact O-N 3.49Å; A54-N56 PolarHBondContact O-OD1 3.28Å | ||
| 55 | P | 51.3 | Low | 62.2 | Low | 68 Ų | 68 | 93.1 Ų | 93.1 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | trans | -71.8 | 92.8 | -157.5 | 25.9 | -27.2 | 0 | 0 | 0 | 112.8 | T57 Q129 | P55-T57 VanDerWaalsContact C-N 3.29Å; P55-T57 PolarHBondContact O-N 3.23Å; P55-Q129 HydrophobicContact CB-CB 4.4Å; P55-Q129 HydrophobicContact CB-CG 3.61Å; P55-Q129 VanDerWaalsContact CB-NE2 3.26Å; P55-Q129 HydrophobicContact CG-CG 4.48Å; P55-Q129 PolarHBondContact O-OE1 2.78Å | ||
| 56 | N | 59.9 | Low | 64.4 | Low | 112 Ų | 112 | 89.5 Ų | 89.5 | 60% | 0.599 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -20.1 | -175.1 | -72.8 | -22.7 | 0 | 0 | 0 | 114.4 | A54 F58 Y59 V60 | A54-N56 PolarHBondContact O-N 3.49Å; A54-N56 PolarHBondContact O-OD1 3.28Å; N56-F58 PolarHBondContact O-N 2.93Å; N56-Y59 PolarHBondContact O-N 3.04Å; N56-V60 WeakPolarHBondContact O-CG2 3.33Å; N56-V60 PolarHBondContact O-N 2.87Å |
| 57 | T | 67 | Low | 66.7 | Low | 27 Ų | 27 | 81.9 Ų | 81.9 | 17% | 0.166 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.7 | -37.2 | -169.3 | -38 | 0 | 0 | 0 | 0 | 112.7 | P55 V60 G61 Q125 F126 Q129 | P55-T57 VanDerWaalsContact C-N 3.29Å; P55-T57 PolarHBondContact O-N 3.23Å; T57-V60 PolarHBondContact O-N 3.33Å; T57-G61 PolarHBondContact O-N 3Å; T57-Q125 HydrophobicContact CG2-CB 4.3Å; T57-Q125 HydrophobicContact CG2-CG 4.24Å; T57-Q125 PolarHBondContact OG1-NE2 3.42Å; T57-Q125 VanDerWaalsContact OG1-NE2 3.1Å; T57-F126 HydrophobicContact CG2-CB 4.28Å; T57-Q129 VanDerWaalsContact CB-OE1 3.27Å; T57-Q129 PolarHBondContact OG1-NE2 3.29Å |
| 58 | F | 71.3 | Confident | 69.1 | Low | 21 Ų | 21 | 78 Ų | 78 | 9% | 0.092 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 175 | -176.7 | -108.6 | 0 | 0 | 0 | 111.9 | N56 G61 I62 F126 Q129 A130 | N56-F58 PolarHBondContact O-N 2.93Å; F58-G61 PolarHBondContact O-N 3.4Å; F58-I62 HydrophobicContact CD1-CD1 3.87Å; F58-I62 HydrophobicContact CE1-CD1 3.4Å; F58-I62 VanDerWaalsContact CE1-CD1 3.4Å; F58-I62 HydrophobicContact CZ-CD1 3.77Å; F58-I62 PolarHBondContact O-N 3.38Å; F58-I62 VanDerWaalsContact O-N 3.17Å; F58-F126 HydrophobicContact CB-CD2 4.48Å; F58-F126 HydrophobicContact CD2-CD2 4.08Å; F58-F126 HydrophobicContact CD2-CE1 4.45Å; F58-F126 AromaticContact CD2-CE2 3.54Å; F58-F126 HydrophobicContact CD2-CE2 3.54Å; F58-F126 AromaticContact CD2-CZ 3.75Å; F58-F126 HydrophobicContact CD2-CZ 3.75Å; F58-F126 HydrophobicContact CE2-CE2 4.06Å; F58-F126 AromaticContact CE2-CZ 3.85Å; F58-F126 HydrophobicContact CE2-CZ 3.85Å; F58-F126 HydrophobicContact CG-CE2 4.28Å; F58-F126 VanDerWaalsContact O-CE2 3.31Å; F58-F126 WeakPolarHBondContact O-CE2 3.32Å; F58-Q129 HydrophobicContact CB-CB 4.06Å; F58-A130 HydrophobicContact CD2-CB 3.79Å; F58-A130 HydrophobicContact CE2-CB 3.65Å |
| 59 | Y | 76.4 | Confident | 71.4 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 24% | 0.243 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.4 | -68.9 | -76.4 | 0 | 0 | 0 | 112.5 | T41 N56 G61 I62 Y63 | T41-Y59 WeakPolarHBondContact CB-OH 3.13Å; T41-Y59 WeakPolarHBondContact CG2-OH 3.43Å; N56-Y59 PolarHBondContact O-N 3.04Å; Y59-G61 VanDerWaalsContact C-N 3.28Å; Y59-G61 PolarHBondContact O-N 3.17Å; Y59-I62 PolarHBondContact O-N 3.25Å; Y59-I62 VanDerWaalsContact O-N 3.16Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.31Å; Y59-Y63 PolarHBondContact O-N 2.96Å |
| 60 | V | 82.7 | Confident | 73.6 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 110.3 | N56 T57 I62 Y63 I64 | N56-V60 WeakPolarHBondContact O-CG2 3.33Å; N56-V60 PolarHBondContact O-N 2.87Å; T57-V60 PolarHBondContact O-N 3.33Å; V60-I62 PolarHBondContact O-N 3.07Å; V60-Y63 PolarHBondContact O-N 3.31Å; V60-I64 HydrophobicContact CG1-CD1 3.94Å; V60-I64 VanDerWaalsContact O-CG1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.18Å |
| 61 | G | 83.9 | Confident | 76.2 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T57 F58 Y59 I64 L65 | T57-G61 PolarHBondContact O-N 3Å; F58-G61 PolarHBondContact O-N 3.4Å; Y59-G61 VanDerWaalsContact C-N 3.28Å; Y59-G61 PolarHBondContact O-N 3.17Å; G61-I64 PolarHBondContact O-N 3.01Å; G61-L65 PolarHBondContact O-N 3.1Å |
| 62 | I | 86.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.3 | -66 | 169 | 0 | 0 | 0 | 111.3 | A32 L35 R36 F58 Y59 V60 I64 L65 I66 | A32-I62 WeakPolarHBondContact O-CG2 3.35Å; L35-I62 HydrophobicContact CB-CD1 4.05Å; L35-I62 HydrophobicContact CB-CG1 4.29Å; L35-I62 HydrophobicContact CB-CG2 4.46Å; R36-I62 HydrophobicContact CB-CG2 3.97Å; F58-I62 HydrophobicContact CD1-CD1 3.87Å; F58-I62 HydrophobicContact CE1-CD1 3.4Å; F58-I62 VanDerWaalsContact CE1-CD1 3.4Å; F58-I62 HydrophobicContact CZ-CD1 3.77Å; F58-I62 PolarHBondContact O-N 3.38Å; F58-I62 VanDerWaalsContact O-N 3.17Å; Y59-I62 PolarHBondContact O-N 3.25Å; Y59-I62 VanDerWaalsContact O-N 3.16Å; V60-I62 PolarHBondContact O-N 3.07Å; I62-I64 VanDerWaalsContact C-N 3.32Å; I62-I64 PolarHBondContact O-N 2.83Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3.5Å; I62-L65 VanDerWaalsContact O-N 3.11Å; I62-I66 HydrophobicContact CG2-CD1 4.16Å; I62-I66 HydrophobicContact CG2-CG1 4.47Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 3.36Å |
| 63 | Y | 89.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 177.5 | -72.5 | -59 | 0 | 0 | 0 | 112.4 | R36 Y59 V60 L65 I66 A67 | R36-Y63 PolarHBondContact NE-OH 3.18Å; R36-Y63 PolarHBondContact NH2-OH 3.18Å; R36-Y63 VanDerWaalsContact NH2-OH 3.12Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.31Å; Y59-Y63 PolarHBondContact O-N 2.96Å; V60-Y63 PolarHBondContact O-N 3.31Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-I66 HydrophobicContact CD1-CD1 4.18Å; Y63-I66 PolarHBondContact O-N 2.92Å; Y63-A67 WeakPolarHBondContact O-CB 3.27Å; Y63-A67 PolarHBondContact O-N 3.48Å |
| 64 | I | 91.7 | Very high | 84 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.3 | -67.9 | 164.6 | 0 | 0 | 0 | 110 | V60 G61 I62 I66 A67 V68 | V60-I64 HydrophobicContact CG1-CD1 3.94Å; V60-I64 VanDerWaalsContact O-CG1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.18Å; G61-I64 PolarHBondContact O-N 3.01Å; I62-I64 VanDerWaalsContact C-N 3.32Å; I62-I64 PolarHBondContact O-N 2.83Å; I64-I66 PolarHBondContact O-N 2.95Å; I64-A67 PolarHBondContact O-N 2.94Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.38Å; I64-V68 PolarHBondContact O-N 3.41Å |
| 65 | L | 91.4 | Very high | 86.4 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 178.4 | -163 | 68.8 | 0 | 0 | 0 | 112.4 | I28 A32 L35 G61 I62 Y63 G69 | I28-L65 HydrophobicContact CG2-CD1 3.74Å; I28-L65 HydrophobicContact CG2-CG 3.88Å; A32-L65 HydrophobicContact CB-CB 3.93Å; A32-L65 HydrophobicContact CB-CD2 3.78Å; A32-L65 HydrophobicContact CB-CG 3.81Å; L35-L65 HydrophobicContact CD1-CD2 4.43Å; G61-L65 PolarHBondContact O-N 3.1Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3.5Å; I62-L65 VanDerWaalsContact O-N 3.11Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; L65-G69 PolarHBondContact O-N 2.84Å |
| 66 | I | 94.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.179 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 172.2 | -67.8 | 172 | 0 | 0 | 0 | 110.2 | L29 A32 L33 R36 I62 Y63 I64 G69 A70 | L29-I66 HydrophobicContact CD1-CB 4.42Å; L29-I66 HydrophobicContact CD1-CG2 3.87Å; A32-I66 HydrophobicContact CB-CB 4.43Å; A32-I66 HydrophobicContact CB-CG1 3.56Å; L33-I66 HydrophobicContact CD2-CD1 4.17Å; L33-I66 HydrophobicContact CD2-CG1 4.48Å; R36-I66 HydrophobicContact CB-CD1 4.25Å; R36-I66 HydrophobicContact CG-CD1 4.36Å; I62-I66 HydrophobicContact CG2-CD1 4.16Å; I62-I66 HydrophobicContact CG2-CG1 4.47Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 3.36Å; Y63-I66 HydrophobicContact CD1-CD1 4.18Å; Y63-I66 PolarHBondContact O-N 2.92Å; I64-I66 PolarHBondContact O-N 2.95Å; I66-G69 PolarHBondContact O-N 2.9Å; I66-A70 VanDerWaalsContact O-CB 3.26Å; I66-A70 WeakPolarHBondContact O-CB 3.25Å; I66-A70 PolarHBondContact O-N 3.42Å |
| 67 | A | 95.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 52 Ų | 52 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y63 I64 A70 V71 | Y63-A67 WeakPolarHBondContact O-CB 3.27Å; Y63-A67 PolarHBondContact O-N 3.48Å; I64-A67 PolarHBondContact O-N 2.94Å; A67-A70 PolarHBondContact O-N 2.88Å; A67-V71 WeakPolarHBondContact O-CB 3.41Å; A67-V71 VanDerWaalsContact O-CG2 3.25Å; A67-V71 WeakPolarHBondContact O-CG2 3.27Å; A67-V71 PolarHBondContact O-N 3.11Å |
| 68 | V | 95.6 | Very high | 91.6 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | I64 A70 V71 M72 | I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.38Å; I64-V68 PolarHBondContact O-N 3.41Å; V68-A70 PolarHBondContact O-N 3.42Å; V68-V71 PolarHBondContact O-N 2.98Å; V68-M72 HydrophobicContact CG1-CE 3.61Å; V68-M72 HydrophobicContact CG1-SD 4.21Å; V68-M72 WeakPolarHBondContact O-CB 3.18Å; V68-M72 WeakPolarHBondContact O-CG 3.36Å; V68-M72 PolarHBondContact O-N 3.46Å |
| 69 | G | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L65 I66 M72 M73 | L65-G69 PolarHBondContact O-N 2.84Å; I66-G69 PolarHBondContact O-N 2.9Å; G69-M72 PolarHBondContact O-N 3.24Å; G69-M73 WeakPolarHBondContact O-CB 3.28Å; G69-M73 PolarHBondContact O-N 3.38Å |
| 70 | A | 97.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 33% | 0.331 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L29 I66 A67 V68 M73 F74 | L29-A70 HydrophobicContact CD1-CB 4.36Å; I66-A70 VanDerWaalsContact O-CB 3.26Å; I66-A70 WeakPolarHBondContact O-CB 3.25Å; I66-A70 PolarHBondContact O-N 3.42Å; A67-A70 PolarHBondContact O-N 2.88Å; V68-A70 PolarHBondContact O-N 3.42Å; A70-M73 PolarHBondContact O-N 3.45Å; A70-F74 VanDerWaalsContact O-CB 3.31Å; A70-F74 WeakPolarHBondContact O-CB 3.42Å; A70-F74 PolarHBondContact O-N 3.48Å |
| 71 | V | 96.9 | Very high | 93.9 | Very high | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 176.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | A67 V68 M73 F74 V75 L101 | A67-V71 WeakPolarHBondContact O-CB 3.41Å; A67-V71 VanDerWaalsContact O-CG2 3.25Å; A67-V71 WeakPolarHBondContact O-CG2 3.27Å; A67-V71 PolarHBondContact O-N 3.11Å; V68-V71 PolarHBondContact O-N 2.98Å; V71-M73 PolarHBondContact O-N 2.94Å; V71-F74 PolarHBondContact O-N 3.37Å; V71-V75 HydrophobicContact CG1-CG2 4.28Å; V71-V75 WeakPolarHBondContact O-CB 3.39Å; V71-V75 WeakPolarHBondContact O-CG2 3.49Å; V71-V75 PolarHBondContact O-N 3.1Å; V71-L101 HydrophobicContact CG1-CD1 4.15Å; V71-L101 HydrophobicContact CG1-CD2 3.89Å |
| 72 | M | 96.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.2 | -73.2 | -173.3 | -59.7 | 0 | 0 | 112 | I28 V68 G69 G76 | I28-M72 HydrophobicContact CB-CE 4.23Å; I28-M72 HydrophobicContact CD1-CE 3.4Å; I28-M72 HydrophobicContact CG1-CE 4.37Å; I28-M72 HydrophobicContact CG2-CE 4.24Å; V68-M72 HydrophobicContact CG1-CE 3.61Å; V68-M72 HydrophobicContact CG1-SD 4.21Å; V68-M72 WeakPolarHBondContact O-CB 3.18Å; V68-M72 WeakPolarHBondContact O-CG 3.36Å; V68-M72 PolarHBondContact O-N 3.46Å; G69-M72 PolarHBondContact O-N 3.24Å; M72-G76 PolarHBondContact O-N 2.9Å |
| 73 | M | 97.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 32% | 0.32 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 176.5 | -173.1 | 178.8 | 179 | 0 | 0 | 111.2 | W22 L29 G69 A70 V71 F77 | W22-M73 VanDerWaalsContact CD1-O 3.22Å; W22-M73 HydrophobicContact CZ2-CE 4.37Å; L29-M73 HydrophobicContact CD2-SD 4.09Å; G69-M73 WeakPolarHBondContact O-CB 3.28Å; G69-M73 PolarHBondContact O-N 3.38Å; A70-M73 PolarHBondContact O-N 3.45Å; V71-M73 PolarHBondContact O-N 2.94Å; M73-F77 VanDerWaalsContact O-CB 3.31Å; M73-F77 WeakPolarHBondContact O-CB 3.47Å; M73-F77 PolarHBondContact O-N 3.23Å |
| 74 | F | 96.8 | Very high | 94.4 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -49.2 | 179.8 | 178 | -106.4 | 0 | 0 | 0 | 112.3 | A70 V71 F77 L78 | A70-F74 VanDerWaalsContact O-CB 3.31Å; A70-F74 WeakPolarHBondContact O-CB 3.42Å; A70-F74 PolarHBondContact O-N 3.48Å; V71-F74 PolarHBondContact O-N 3.37Å; F74-F77 WeakPolarHBondContact O-CB 3.5Å; F74-F77 PolarHBondContact O-N 3.25Å; F74-L78 HydrophobicContact CD1-CD1 4.14Å; F74-L78 HydrophobicContact CE1-CD1 3.53Å; F74-L78 HydrophobicContact CE1-CG 4.29Å; F74-L78 HydrophobicContact CE2-CD1 4.46Å; F74-L78 HydrophobicContact CE2-CD2 4.46Å; F74-L78 HydrophobicContact CE2-CG 4.46Å; F74-L78 HydrophobicContact CZ-CD1 3.72Å; F74-L78 HydrophobicContact CZ-CD2 4.31Å; F74-L78 HydrophobicContact CZ-CG 4.19Å; F74-L78 WeakPolarHBondContact O-CG 3.2Å; F74-L78 PolarHBondContact O-N 3.38Å; F74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | V | 96.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | V71 F77 L78 G79 F94 C97 L98 L101 | V71-V75 HydrophobicContact CG1-CG2 4.28Å; V71-V75 WeakPolarHBondContact O-CB 3.39Å; V71-V75 WeakPolarHBondContact O-CG2 3.49Å; V71-V75 PolarHBondContact O-N 3.1Å; V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 PolarHBondContact O-N 3.21Å; V75-L78 PolarHBondContact O-N 3.02Å; V75-G79 PolarHBondContact O-N 2.94Å; V75-F94 HydrophobicContact CG1-CD2 3.84Å; V75-F94 HydrophobicContact CG1-CE2 3.65Å; V75-F94 WeakPolarHBondContact O-CD2 3.4Å; V75-C97 HydrophobicContact CG2-CB 4.09Å; V75-L98 HydrophobicContact CG1-CD2 4.21Å; V75-L101 HydrophobicContact CG2-CD1 4.06Å |
| 76 | G | 96 | Very high | 94.1 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M72 G79 C80 | M72-G76 PolarHBondContact O-N 2.9Å; G76-G79 PolarHBondContact O-N 2.88Å; G76-C80 WeakPolarHBondContact O-CB 3.42Å; G76-C80 PolarHBondContact O-N 2.96Å; G76-C80 PolarHBondContact O-SG 3.46Å |
| 77 | F | 95.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.8 | 173.3 | -98.9 | 0 | 0 | 0 | 112 | M73 F74 V75 G79 C80 Y81 | M73-F77 VanDerWaalsContact O-CB 3.31Å; M73-F77 WeakPolarHBondContact O-CB 3.47Å; M73-F77 PolarHBondContact O-N 3.23Å; F74-F77 WeakPolarHBondContact O-CB 3.5Å; F74-F77 PolarHBondContact O-N 3.25Å; V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 PolarHBondContact O-N 3.21Å; F77-G79 VanDerWaalsContact C-N 3.34Å; F77-G79 PolarHBondContact O-N 2.97Å; F77-C80 PolarHBondContact O-N 2.92Å; F77-Y81 HydrophobicContact CE2-CD2 4.3Å; F77-Y81 HydrophobicContact CE2-CG 4.27Å; F77-Y81 HydrophobicContact CZ-CD1 4.2Å; F77-Y81 HydrophobicContact CZ-CD2 4.41Å; F77-Y81 HydrophobicContact CZ-CG 4.05Å; F77-Y81 WeakPolarHBondContact O-CB 3.48Å; F77-Y81 PolarHBondContact O-N 3.48Å |
| 78 | L | 95.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 177 | -65.4 | 179.6 | 0 | 0 | 0 | 111.8 | F74 V75 G82 L90 F94 | F74-L78 HydrophobicContact CD1-CD1 4.14Å; F74-L78 HydrophobicContact CE1-CD1 3.53Å; F74-L78 HydrophobicContact CE1-CG 4.29Å; F74-L78 HydrophobicContact CE2-CD1 4.46Å; F74-L78 HydrophobicContact CE2-CD2 4.46Å; F74-L78 HydrophobicContact CE2-CG 4.46Å; F74-L78 HydrophobicContact CZ-CD1 3.72Å; F74-L78 HydrophobicContact CZ-CD2 4.31Å; F74-L78 HydrophobicContact CZ-CG 4.19Å; F74-L78 WeakPolarHBondContact O-CG 3.2Å; F74-L78 PolarHBondContact O-N 3.38Å; F74-L78 VanDerWaalsContact O-N 3.08Å; V75-L78 PolarHBondContact O-N 3.02Å; L78-G82 WeakPolarHBondContact O-CA 3.48Å; L78-G82 PolarHBondContact O-N 2.85Å; L78-L90 HydrophobicContact CD2-CD1 3.48Å; L78-L90 VanDerWaalsContact CD2-CD1 3.48Å; L78-L90 HydrophobicContact CD2-CG 4.16Å; L78-F94 HydrophobicContact CB-CB 4.09Å; L78-F94 HydrophobicContact CB-CD2 4.38Å |
| 79 | G | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V75 G76 F77 A83 | V75-G79 PolarHBondContact O-N 2.94Å; G76-G79 PolarHBondContact O-N 2.88Å; F77-G79 VanDerWaalsContact C-N 3.34Å; F77-G79 PolarHBondContact O-N 2.97Å; G79-A83 WeakPolarHBondContact O-CB 3.31Å; G79-A83 PolarHBondContact O-N 3.01Å |
| 80 | C | 93.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -53.6 | 178.1 | -69 | 0 | 0 | 0 | 0 | 112.5 | F15 N18 F19 G76 F77 G82 A83 I84 | F15-C80 HydrophobicContact CD2-CB 3.99Å; F15-C80 HydrophobicContact CE2-CB 4.06Å; N18-C80 VanDerWaalsContact CB-SG 3.57Å; N18-C80 PolarHBondContact O-SG 2.89Å; F19-C80 WeakPolarHBondContact CA-SG 3.35Å; F19-C80 PolarHBondContact N-SG 3.27Å; G76-C80 WeakPolarHBondContact O-CB 3.42Å; G76-C80 PolarHBondContact O-N 2.96Å; G76-C80 PolarHBondContact O-SG 3.46Å; F77-C80 PolarHBondContact O-N 2.92Å; C80-G82 VanDerWaalsContact C-N 3.33Å; C80-A83 PolarHBondContact O-N 3.43Å; C80-I84 PolarHBondContact O-N 3.33Å |
| 81 | Y | 92.4 | Very high | 93 | Very high | 99 Ų | 99 | 48 Ų | 48 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.8 | -32.9 | -172.7 | -155.9 | -111.2 | 0 | 0 | 0 | 110.3 | F77 I84 Q85 L90 | F77-Y81 HydrophobicContact CE2-CD2 4.3Å; F77-Y81 HydrophobicContact CE2-CG 4.27Å; F77-Y81 HydrophobicContact CZ-CD1 4.2Å; F77-Y81 HydrophobicContact CZ-CD2 4.41Å; F77-Y81 HydrophobicContact CZ-CG 4.05Å; F77-Y81 WeakPolarHBondContact O-CB 3.48Å; F77-Y81 PolarHBondContact O-N 3.48Å; Y81-I84 PolarHBondContact O-N 3.47Å; Y81-Q85 HydrophobicContact CD1-CG 4.06Å; Y81-Q85 HydrophobicContact CE1-CG 3.93Å; Y81-Q85 HydrophobicContact CE2-CG 4.42Å; Y81-Q85 HydrophobicContact CG-CG 4.38Å; Y81-Q85 VanDerWaalsContact O-CB 3.28Å; Y81-Q85 WeakPolarHBondContact O-CB 3.47Å; Y81-Q85 WeakPolarHBondContact O-CG 3.36Å; Y81-Q85 PolarHBondContact O-N 3.2Å; Y81-Q85 PolarHBondContact OH-NE2 2.99Å; Y81-L90 HydrophobicContact CD1-CD2 3.55Å; Y81-L90 HydrophobicContact CG-CD2 4.16Å |
| 82 | G | 90.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L78 C80 E86 S87 | L78-G82 WeakPolarHBondContact O-CA 3.48Å; L78-G82 PolarHBondContact O-N 2.85Å; C80-G82 VanDerWaalsContact C-N 3.33Å; G82-E86 PolarHBondContact O-N 3.47Å; G82-S87 PolarHBondContact O-N 3.34Å |
| 83 | A | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K11 L14 F15 G79 C80 L226 | K11-A83 WeakPolarHBondContact CE-O 3.38Å; L14-A83 HydrophobicContact CB-CB 4.47Å; F15-A83 HydrophobicContact CB-CB 4.3Å; G79-A83 WeakPolarHBondContact O-CB 3.31Å; G79-A83 PolarHBondContact O-N 3.01Å; C80-A83 PolarHBondContact O-N 3.43Å; A83-L226 HydrophobicContact CB-CD2 4.13Å |
| 84 | I | 89.5 | Confident | 92.7 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 45% | 0.446 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -51.4 | -178.6 | -71.9 | 170.5 | 0 | 0 | 0 | 111.6 | K11 F15 C80 Y81 E86 | K11-I84 PolarHBondContact NZ-O 3.31Å; F15-I84 HydrophobicContact CD2-CD1 3.45Å; F15-I84 VanDerWaalsContact CD2-CD1 3.45Å; F15-I84 HydrophobicContact CD2-CG1 3.63Å; F15-I84 HydrophobicContact CE2-CD1 3.13Å; F15-I84 HydrophobicContact CE2-CG1 3.88Å; F15-I84 HydrophobicContact CG-CD1 4.34Å; F15-I84 HydrophobicContact CG-CG1 4.24Å; F15-I84 HydrophobicContact CZ-CD1 3.77Å; C80-I84 PolarHBondContact O-N 3.33Å; Y81-I84 PolarHBondContact O-N 3.47Å; I84-E86 PolarHBondContact O-N 3.5Å |
| 85 | Q | 89.2 | Confident | 92.6 | Very high | 102 Ų | 102 | 40.2 Ų | 40.2 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.9 | -9 | -175.3 | -67.9 | -156.4 | -27.6 | 0 | 0 | 113.3 | Y81 S87 | Y81-Q85 HydrophobicContact CD1-CG 4.06Å; Y81-Q85 HydrophobicContact CE1-CG 3.93Å; Y81-Q85 HydrophobicContact CE2-CG 4.42Å; Y81-Q85 HydrophobicContact CG-CG 4.38Å; Y81-Q85 VanDerWaalsContact O-CB 3.28Å; Y81-Q85 WeakPolarHBondContact O-CB 3.47Å; Y81-Q85 WeakPolarHBondContact O-CG 3.36Å; Y81-Q85 PolarHBondContact O-N 3.2Å; Y81-Q85 PolarHBondContact OH-NE2 2.99Å; Q85-S87 PolarHBondContact O-N 3.39Å |
| 86 | E | 87.9 | Confident | 92.6 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.5 | -174.9 | -62.2 | 176.1 | -179.5 | 0 | 0 | 111.2 | V3 K11 G82 I84 I230 | V3-E86 WeakPolarHBondContact CG2-OE1 3.45Å; K11-E86 IonicContact NZ-OE1 3.1Å; K11-E86 PolarHBondContact NZ-OE1 3.1Å; G82-E86 PolarHBondContact O-N 3.47Å; I84-E86 PolarHBondContact O-N 3.5Å; E86-I230 HydrophobicContact CB-CD1 3.88Å; E86-I230 HydrophobicContact CB-CG1 4.05Å; E86-I230 HydrophobicContact CB-CG2 4.43Å; E86-I230 HydrophobicContact CG-CD1 4.34Å; E86-I230 HydrophobicContact CG-CG1 4.4Å; E86-I230 WeakPolarHBondContact O-CG2 3.47Å |
| 87 | S | 89.1 | Confident | 92.7 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -90.2 | 112.6 | -177.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | G82 Q85 C89 L90 L91 | G82-S87 PolarHBondContact O-N 3.34Å; Q85-S87 PolarHBondContact O-N 3.39Å; S87-C89 VanDerWaalsContact C-N 3.27Å; S87-C89 PolarHBondContact O-N 3.2Å; S87-L90 PolarHBondContact O-N 2.97Å; S87-L91 WeakPolarHBondContact O-CB 3.39Å; S87-L91 PolarHBondContact O-N 3.46Å | ||
| 88 | Q | 89.1 | Confident | 92.7 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -35.4 | 179.4 | -58.7 | -175.8 | -67.7 | 0 | 0 | 112.7 | G92 I230 | Q88-G92 PolarHBondContact O-N 3.47Å; Q88-I230 HydrophobicContact CG-CG2 3.89Å |
| 89 | C | 91.9 | Very high | 92.9 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 66% | 0.662 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.6 | -46.7 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | S87 G92 T93 | S87-C89 VanDerWaalsContact C-N 3.27Å; S87-C89 PolarHBondContact O-N 3.2Å; C89-G92 PolarHBondContact O-N 3.31Å; C89-T93 WeakPolarHBondContact O-CG2 3.47Å; C89-T93 PolarHBondContact O-N 2.89Å; C89-T93 PolarHBondContact O-OG1 3.25Å |
| 90 | L | 92.4 | Very high | 93 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.4 | -34.7 | -177.5 | -156.8 | 68 | 0 | 0 | 0 | 112.6 | L78 Y81 S87 T93 F94 | L78-L90 HydrophobicContact CD2-CD1 3.48Å; L78-L90 VanDerWaalsContact CD2-CD1 3.48Å; L78-L90 HydrophobicContact CD2-CG 4.16Å; Y81-L90 HydrophobicContact CD1-CD2 3.55Å; Y81-L90 HydrophobicContact CG-CD2 4.16Å; S87-L90 PolarHBondContact O-N 2.97Å; L90-T93 WeakPolarHBondContact CA-OG1 3.47Å; L90-T93 PolarHBondContact O-OG1 3.47Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 3.06Å |
| 91 | L | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.5 | -33.8 | 174.1 | -163.6 | 59 | 0 | 0 | 0 | 111.6 | S87 F94 F95 S223 L226 C227 I230 | S87-L91 WeakPolarHBondContact O-CB 3.39Å; S87-L91 PolarHBondContact O-N 3.46Å; L91-F94 HydrophobicContact CD1-CD1 4.23Å; L91-F95 WeakPolarHBondContact O-CB 3.42Å; L91-F95 PolarHBondContact O-N 3.24Å; L91-S223 VanDerWaalsContact CD1-OG 3.32Å; L91-S223 WeakPolarHBondContact CD1-OG 3.26Å; L91-S223 WeakPolarHBondContact CD2-O 3.21Å; L91-S223 WeakPolarHBondContact CG-OG 3.38Å; L91-S223 PolarHBondContact O-OG 3.44Å; L91-L226 HydrophobicContact CD2-CB 3.93Å; L91-L226 HydrophobicContact CD2-CD2 4Å; L91-L226 HydrophobicContact CD2-CG 3.87Å; L91-C227 HydrophobicContact CD2-CB 3.73Å; L91-C227 HydrophobicContact CG-CB 4.33Å; L91-I230 HydrophobicContact CD2-CD1 4.25Å |
| 92 | G | 93.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q88 C89 F95 T96 | Q88-G92 PolarHBondContact O-N 3.47Å; C89-G92 PolarHBondContact O-N 3.31Å; G92-F95 PolarHBondContact O-N 3.01Å; G92-T96 WeakPolarHBondContact O-CB 3.47Å; G92-T96 PolarHBondContact O-N 3.35Å; G92-T96 PolarHBondContact O-OG1 2.88Å |
| 93 | T | 95.2 | Very high | 93.7 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 172.9 | 55.8 | 0 | 0 | 0 | 0 | 111 | C89 L90 F95 T96 C97 | C89-T93 WeakPolarHBondContact O-CG2 3.47Å; C89-T93 PolarHBondContact O-N 2.89Å; C89-T93 PolarHBondContact O-OG1 3.25Å; L90-T93 WeakPolarHBondContact CA-OG1 3.47Å; L90-T93 PolarHBondContact O-OG1 3.47Å; T93-F95 PolarHBondContact O-N 3.41Å; T93-T96 PolarHBondContact O-N 2.95Å; T93-C97 PolarHBondContact O-N 2.79Å; T93-C97 PolarHBondContact O-SG 3.28Å |
| 94 | F | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.3 | -50.3 | 172.6 | 173 | -110.8 | 0 | 0 | 0 | 112.1 | L14 N18 V75 L78 L90 L91 T96 C97 L98 E219 | L14-F94 HydrophobicContact CD2-CE1 4.25Å; N18-F94 WeakPolarHBondContact OD1-CE2 3.27Å; N18-F94 VanDerWaalsContact OD1-CZ 3.27Å; N18-F94 WeakPolarHBondContact OD1-CZ 3.46Å; V75-F94 HydrophobicContact CG1-CD2 3.84Å; V75-F94 HydrophobicContact CG1-CE2 3.65Å; V75-F94 WeakPolarHBondContact O-CD2 3.4Å; L78-F94 HydrophobicContact CB-CB 4.09Å; L78-F94 HydrophobicContact CB-CD2 4.38Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 3.06Å; L91-F94 HydrophobicContact CD1-CD1 4.23Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 3.44Å; F94-C97 WeakPolarHBondContact O-CB 3.35Å; F94-C97 PolarHBondContact O-N 3.3Å; F94-L98 HydrophobicContact CD1-CD1 4.18Å; F94-L98 HydrophobicContact CE1-CD1 3.56Å; F94-L98 HydrophobicContact CE1-CG 4.39Å; F94-L98 HydrophobicContact CE2-CD1 4.12Å; F94-L98 HydrophobicContact CE2-CD2 4.3Å; F94-L98 HydrophobicContact CE2-CG 4.17Å; F94-L98 HydrophobicContact CZ-CD1 3.54Å; F94-L98 HydrophobicContact CZ-CD2 4.36Å; F94-L98 HydrophobicContact CZ-CG 4.09Å; F94-L98 WeakPolarHBondContact O-CG 3.45Å; F94-L98 PolarHBondContact O-N 2.91Å; F94-E219 HydrophobicContact CE1-CB 4.39Å; F94-E219 HydrophobicContact CZ-CB 4.22Å |
| 95 | F | 96.2 | Very high | 94.3 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 176 | 177.9 | -90.5 | 0 | 0 | 0 | 112.2 | L91 G92 T93 C97 L98 V99 M220 M224 | L91-F95 WeakPolarHBondContact O-CB 3.42Å; L91-F95 PolarHBondContact O-N 3.24Å; G92-F95 PolarHBondContact O-N 3.01Å; T93-F95 PolarHBondContact O-N 3.41Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 2.88Å; F95-L98 PolarHBondContact O-N 3.2Å; F95-V99 HydrophobicContact CD1-CG2 4.1Å; F95-V99 HydrophobicContact CE1-CG2 3.61Å; F95-V99 HydrophobicContact CZ-CG2 3.84Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 2.98Å; F95-M220 HydrophobicContact CD2-CB 4.05Å; F95-M220 HydrophobicContact CD2-CG 4.1Å; F95-M220 HydrophobicContact CE2-CB 3.8Å; F95-M220 HydrophobicContact CE2-CG 4.02Å; F95-M220 HydrophobicContact CE2-SD 4.39Å; F95-M224 HydrophobicContact CD1-CE 3.68Å; F95-M224 HydrophobicContact CD2-CE 3.88Å; F95-M224 HydrophobicContact CD2-CG 3.77Å; F95-M224 HydrophobicContact CD2-SD 4.49Å; F95-M224 HydrophobicContact CE1-CE 3.4Å; F95-M224 VanDerWaalsContact CE1-CE 3.4Å; F95-M224 HydrophobicContact CE2-CE 3.6Å; F95-M224 HydrophobicContact CE2-CG 3.57Å; F95-M224 HydrophobicContact CE2-SD 4.43Å; F95-M224 HydrophobicContact CG-CE 3.92Å; F95-M224 HydrophobicContact CZ-CE 3.37Å; F95-M224 HydrophobicContact CZ-CG 4.26Å |
| 96 | T | 96.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 179.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | G92 T93 F94 L98 V99 I100 | G92-T96 WeakPolarHBondContact O-CB 3.47Å; G92-T96 PolarHBondContact O-N 3.35Å; G92-T96 PolarHBondContact O-OG1 2.88Å; T93-T96 PolarHBondContact O-N 2.95Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 3.44Å; T96-L98 PolarHBondContact O-N 3.08Å; T96-V99 PolarHBondContact O-N 2.88Å; T96-I100 HydrophobicContact CG2-CD1 4.18Å; T96-I100 WeakPolarHBondContact O-CG1 3.31Å; T96-I100 PolarHBondContact O-N 3.47Å; T96-I100 VanDerWaalsContact O-N 3.1Å |
| 97 | C | 96.9 | Very high | 95 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 173.6 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | V75 T93 F94 F95 V99 I100 L101 | V75-C97 HydrophobicContact CG2-CB 4.09Å; T93-C97 PolarHBondContact O-N 2.79Å; T93-C97 PolarHBondContact O-SG 3.28Å; F94-C97 WeakPolarHBondContact O-CB 3.35Å; F94-C97 PolarHBondContact O-N 3.3Å; F95-C97 VanDerWaalsContact C-N 3.34Å; F95-C97 PolarHBondContact O-N 2.88Å; C97-V99 PolarHBondContact O-N 2.88Å; C97-I100 PolarHBondContact O-N 2.82Å; C97-L101 WeakPolarHBondContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CG 3.39Å; C97-L101 PolarHBondContact O-N 3.1Å |
| 98 | L | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 177.4 | -70.4 | -179.7 | 0 | 0 | 0 | 112.6 | V75 F94 F95 T96 I100 L101 F102 M216 E219 M220 | V75-L98 HydrophobicContact CG1-CD2 4.21Å; F94-L98 HydrophobicContact CD1-CD1 4.18Å; F94-L98 HydrophobicContact CE1-CD1 3.56Å; F94-L98 HydrophobicContact CE1-CG 4.39Å; F94-L98 HydrophobicContact CE2-CD1 4.12Å; F94-L98 HydrophobicContact CE2-CD2 4.3Å; F94-L98 HydrophobicContact CE2-CG 4.17Å; F94-L98 HydrophobicContact CZ-CD1 3.54Å; F94-L98 HydrophobicContact CZ-CD2 4.36Å; F94-L98 HydrophobicContact CZ-CG 4.09Å; F94-L98 WeakPolarHBondContact O-CG 3.45Å; F94-L98 PolarHBondContact O-N 2.91Å; F95-L98 PolarHBondContact O-N 3.2Å; T96-L98 PolarHBondContact O-N 3.08Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.39Å; L98-L101 PolarHBondContact O-N 3.28Å; L98-F102 VanDerWaalsContact O-CB 3.31Å; L98-F102 WeakPolarHBondContact O-CB 3.44Å; L98-F102 PolarHBondContact O-N 2.78Å; L98-M216 HydrophobicContact CD2-CG 4.49Å; L98-E219 HydrophobicContact CD1-CB 3.59Å; L98-M220 HydrophobicContact CB-CG 3.64Å; L98-M220 HydrophobicContact CB-SD 4.2Å; L98-M220 HydrophobicContact CD1-CG 3.79Å; L98-M220 HydrophobicContact CG-CG 4.41Å |
| 99 | V | 97.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F95 T96 C97 F102 A103 M220 | F95-V99 HydrophobicContact CD1-CG2 4.1Å; F95-V99 HydrophobicContact CE1-CG2 3.61Å; F95-V99 HydrophobicContact CZ-CG2 3.84Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 2.98Å; T96-V99 PolarHBondContact O-N 2.88Å; C97-V99 PolarHBondContact O-N 2.88Å; V99-F102 PolarHBondContact O-N 3.25Å; V99-A103 PolarHBondContact O-N 3.47Å; V99-M220 HydrophobicContact CG2-SD 3.7Å |
| 100 | I | 97.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 51 Ų | 51 | 52% | 0.518 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 177.4 | -65.8 | 165.5 | 0 | 0 | 0 | 110.3 | T96 C97 L98 F102 A103 C104 | T96-I100 HydrophobicContact CG2-CD1 4.18Å; T96-I100 WeakPolarHBondContact O-CG1 3.31Å; T96-I100 PolarHBondContact O-N 3.47Å; T96-I100 VanDerWaalsContact O-N 3.1Å; C97-I100 PolarHBondContact O-N 2.82Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.39Å; I100-F102 VanDerWaalsContact C-N 3.34Å; I100-F102 PolarHBondContact O-N 3.49Å; I100-A103 PolarHBondContact O-N 2.99Å; I100-C104 PolarHBondContact O-N 2.95Å; I100-C104 PolarHBondContact O-SG 3.06Å; I100-C104 VanDerWaalsContact O-SG 3.35Å |
| 101 | L | 96.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.7 | -73.1 | 177.2 | 0 | 0 | 0 | 112.2 | V71 V75 C97 L98 A103 C104 E105 M216 | V71-L101 HydrophobicContact CG1-CD1 4.15Å; V71-L101 HydrophobicContact CG1-CD2 3.89Å; V75-L101 HydrophobicContact CG2-CD1 4.06Å; C97-L101 WeakPolarHBondContact O-CB 3.3Å; C97-L101 WeakPolarHBondContact O-CG 3.39Å; C97-L101 PolarHBondContact O-N 3.1Å; L98-L101 PolarHBondContact O-N 3.28Å; L101-A103 PolarHBondContact O-N 3.2Å; L101-C104 CarbonylContact O-C 3.09Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 2.88Å; L101-E105 WeakPolarHBondContact O-CB 3.35Å; L101-E105 PolarHBondContact O-N 3.45Å; L101-M216 HydrophobicContact CB-CE 4.02Å; L101-M216 HydrophobicContact CB-SD 4.14Å |
| 102 | F | 97.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176 | -176 | -97.9 | 0 | 0 | 0 | 111.7 | L98 V99 I100 E105 V106 A213 M216 I217 M220 | L98-F102 VanDerWaalsContact O-CB 3.31Å; L98-F102 WeakPolarHBondContact O-CB 3.44Å; L98-F102 PolarHBondContact O-N 2.78Å; V99-F102 PolarHBondContact O-N 3.25Å; I100-F102 VanDerWaalsContact C-N 3.34Å; I100-F102 PolarHBondContact O-N 3.49Å; F102-E105 PolarHBondContact O-N 2.89Å; F102-V106 HydrophobicContact CD1-CG2 4.46Å; F102-V106 HydrophobicContact CE1-CG2 4.11Å; F102-V106 HydrophobicContact CZ-CG2 4.27Å; F102-V106 WeakPolarHBondContact O-CG2 3.34Å; F102-V106 PolarHBondContact O-N 3.27Å; F102-A213 HydrophobicContact CE2-CB 4.05Å; F102-M216 HydrophobicContact CB-SD 4.26Å; F102-I217 HydrophobicContact CD2-CG1 4.49Å; F102-I217 HydrophobicContact CE2-CD1 3.94Å; F102-I217 HydrophobicContact CE2-CG1 4.03Å; F102-I217 HydrophobicContact CZ-CD1 4.22Å; F102-M220 HydrophobicContact CG-CE 4.45Å |
| 103 | A | 97.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 62 Ų | 62 | 49% | 0.488 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V99 I100 L101 A107 | V99-A103 PolarHBondContact O-N 3.47Å; I100-A103 PolarHBondContact O-N 2.99Å; L101-A103 PolarHBondContact O-N 3.2Å; A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 3.39Å |
| 104 | C | 96.5 | Very high | 95.9 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 48% | 0.48 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 174 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | I100 L101 A107 A108 | I100-C104 PolarHBondContact O-N 2.95Å; I100-C104 PolarHBondContact O-SG 3.06Å; I100-C104 VanDerWaalsContact O-SG 3.35Å; L101-C104 CarbonylContact O-C 3.09Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 2.88Å; C104-A107 PolarHBondContact O-N 2.79Å; C104-A108 WeakPolarHBondContact O-CB 3.36Å; C104-A108 PolarHBondContact O-N 2.8Å |
| 105 | E | 95 | Very high | 95.8 | Very high | 40 Ų | 40 | 66.9 Ų | 66.9 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 178 | -177.9 | 176.9 | -173 | 0 | 0 | 111.2 | L101 F102 A108 G109 V212 A213 M216 | L101-E105 WeakPolarHBondContact O-CB 3.35Å; L101-E105 PolarHBondContact O-N 3.45Å; F102-E105 PolarHBondContact O-N 2.89Å; E105-A108 PolarHBondContact O-N 2.94Å; E105-G109 PolarHBondContact O-N 3.37Å; E105-V212 WeakPolarHBondContact OE1-CG1 3.37Å; E105-A213 PolarHBondContact OE1-N 2.91Å; E105-M216 VanDerWaalsContact OE2-SD 3.4Å |
| 106 | V | 96.5 | Very high | 95.6 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F102 G109 I110 | F102-V106 HydrophobicContact CD1-CG2 4.46Å; F102-V106 HydrophobicContact CE1-CG2 4.11Å; F102-V106 HydrophobicContact CZ-CG2 4.27Å; F102-V106 WeakPolarHBondContact O-CG2 3.34Å; F102-V106 PolarHBondContact O-N 3.27Å; V106-G109 PolarHBondContact O-N 3.02Å; V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 VanDerWaalsContact O-CG1 3.29Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.35Å |
| 107 | A | 96.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A103 C104 I110 W111 | A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 3.39Å; C104-A107 PolarHBondContact O-N 2.79Å; A107-I110 PolarHBondContact O-N 3.06Å; A107-W111 WeakPolarHBondContact O-CB 3.49Å; A107-W111 PolarHBondContact O-N 3.47Å |
| 108 | A | 94.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 70.5 Ų | 70.5 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C104 E105 G112 | C104-A108 WeakPolarHBondContact O-CB 3.36Å; C104-A108 PolarHBondContact O-N 2.8Å; E105-A108 PolarHBondContact O-N 2.94Å; A108-G112 WeakPolarHBondContact O-CA 3.29Å; A108-G112 PolarHBondContact O-N 2.71Å |
| 109 | G | 94.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 72.4 Ų | 72.4 | 46% | 0.464 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E105 V106 F113 | E105-G109 PolarHBondContact O-N 3.37Å; V106-G109 PolarHBondContact O-N 3.02Å; G109-F113 WeakPolarHBondContact O-CB 3.19Å; G109-F113 PolarHBondContact O-N 2.92Å |
| 110 | I | 95.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 55% | 0.549 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -51.2 | 175.7 | -65.1 | 165.7 | 0 | 0 | 0 | 110.2 | V106 A107 G112 F113 V114 | V106-I110 HydrophobicContact CG1-CD1 3.9Å; V106-I110 VanDerWaalsContact O-CG1 3.29Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.35Å; A107-I110 PolarHBondContact O-N 3.06Å; I110-G112 VanDerWaalsContact C-N 3.3Å; I110-G112 PolarHBondContact O-N 3.05Å; I110-F113 PolarHBondContact O-N 2.92Å; I110-V114 WeakPolarHBondContact O-CG2 3.33Å; I110-V114 PolarHBondContact O-N 2.6Å |
| 111 | W | 95.2 | Very high | 94.4 | Very high | 146 Ų | 146 | 70.7 Ų | 70.7 | 55% | 0.553 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.6 | -42.2 | -178.9 | -177.4 | 87.2 | 0 | 0 | 0 | 111.7 | A107 V114 N115 I119 | A107-W111 WeakPolarHBondContact O-CB 3.49Å; A107-W111 PolarHBondContact O-N 3.47Å; W111-V114 PolarHBondContact O-N 2.9Å; W111-N115 HydrophobicContact CH2-CB 4.47Å; W111-N115 HydrophobicContact CZ2-CB 4.31Å; W111-N115 PolarHBondContact NE1-ND2 3.4Å; W111-N115 WeakPolarHBondContact O-CB 3.34Å; W111-N115 PolarHBondContact O-N 2.67Å; W111-N115 PolarHBondContact O-ND2 2.93Å; W111-I119 HydrophobicContact CE3-CD1 4.29Å; W111-I119 HydrophobicContact CZ3-CD1 3.86Å; W111-I119 HydrophobicContact CZ3-CG1 4.05Å |
| 112 | G | 93.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 71 Ų | 71 | 17% | 0.165 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.1 | -31.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A108 I110 N115 K116 I119 | A108-G112 WeakPolarHBondContact O-CA 3.29Å; A108-G112 PolarHBondContact O-N 2.71Å; I110-G112 VanDerWaalsContact C-N 3.3Å; I110-G112 PolarHBondContact O-N 3.05Å; G112-N115 CarbonylContact O-C 3.51Å; G112-K116 VanDerWaalsContact O-CA 3.24Å; G112-K116 WeakPolarHBondContact O-CA 3.42Å; G112-K116 PolarHBondContact O-N 3.32Å; G112-I119 VanDerWaalsContact CA-CD1 3.41Å |
| 113 | F | 92.1 | Very high | 93.8 | Very high | 131 Ų | 131 | 69.9 Ų | 69.9 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.2 | -45.3 | 171.6 | -176.6 | -98.7 | 0 | 0 | 0 | 111.8 | G109 I110 N115 L202 | G109-F113 WeakPolarHBondContact O-CB 3.19Å; G109-F113 PolarHBondContact O-N 2.92Å; I110-F113 PolarHBondContact O-N 2.92Å; F113-N115 VanDerWaalsContact C-N 3.33Å; F113-N115 PolarHBondContact O-N 3.37Å; F113-L202 HydrophobicContact CD2-CD1 4.23Å; F113-L202 HydrophobicContact CD2-CD2 3.86Å; F113-L202 HydrophobicContact CE2-CD1 4.44Å; F113-L202 HydrophobicContact CE2-CD2 3.88Å |
| 114 | V | 95 | Very high | 93.5 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | I110 W111 | I110-V114 WeakPolarHBondContact O-CG2 3.33Å; I110-V114 PolarHBondContact O-N 2.6Å; W111-V114 PolarHBondContact O-N 2.9Å |
| 115 | N | 94.6 | Very high | 93.2 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 27.4 | -176.7 | -62.7 | -82.5 | 0 | 0 | 0 | 113.1 | W111 G112 F113 D117 Q118 I119 | W111-N115 HydrophobicContact CH2-CB 4.47Å; W111-N115 HydrophobicContact CZ2-CB 4.31Å; W111-N115 PolarHBondContact NE1-ND2 3.4Å; W111-N115 WeakPolarHBondContact O-CB 3.34Å; W111-N115 PolarHBondContact O-N 2.67Å; W111-N115 PolarHBondContact O-ND2 2.93Å; G112-N115 CarbonylContact O-C 3.51Å; F113-N115 VanDerWaalsContact C-N 3.33Å; F113-N115 PolarHBondContact O-N 3.37Å; N115-D117 PolarHBondContact O-N 2.9Å; N115-D117 VanDerWaalsContact O-N 3.15Å; N115-Q118 HydrophobicContact CB-CB 4.3Å; N115-Q118 WeakPolarHBondContact O-CB 3.42Å; N115-Q118 PolarHBondContact O-N 3.45Å; N115-I119 PolarHBondContact O-N 3.19Å |
| 116 | K | 92.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.8 | -37.1 | -175.6 | 70.4 | -174.9 | -175.8 | 64.3 | 0 | 113.3 | G112 Q118 I119 A120 L202 | G112-K116 VanDerWaalsContact O-CA 3.24Å; G112-K116 WeakPolarHBondContact O-CA 3.42Å; G112-K116 PolarHBondContact O-N 3.32Å; K116-Q118 VanDerWaalsContact C-N 3.34Å; K116-I119 PolarHBondContact O-N 2.86Å; K116-A120 WeakPolarHBondContact O-CB 3.06Å; K116-A120 PolarHBondContact O-N 3.48Å; K116-L202 HydrophobicContact CB-CD1 4.18Å; K116-L202 HydrophobicContact CD-CD1 3.86Å |
| 117 | D | 92.4 | Very high | 92.5 | Very high | 89 Ų | 89 | 65.7 Ų | 65.7 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.1 | -29 | -178.6 | -56.5 | -34.2 | 0 | 0 | 0 | 111.6 | N115 K121 | N115-D117 PolarHBondContact O-N 2.9Å; N115-D117 VanDerWaalsContact O-N 3.15Å; D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 2.95Å |
| 118 | Q | 92.4 | Very high | 92 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72 | -46 | 173.2 | -175.9 | 62.2 | 26.4 | 0 | 0 | 110.3 | N115 K116 A120 K121 D122 | N115-Q118 HydrophobicContact CB-CB 4.3Å; N115-Q118 WeakPolarHBondContact O-CB 3.42Å; N115-Q118 PolarHBondContact O-N 3.45Å; K116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.4Å; Q118-K121 WeakPolarHBondContact O-CB 3.29Å; Q118-K121 PolarHBondContact O-N 3.44Å; Q118-K121 VanDerWaalsContact O-N 3.1Å; Q118-D122 PolarHBondContact NE2-OD1 3.47Å; Q118-D122 PolarHBondContact O-N 3.46Å |
| 119 | I | 90.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.8 | -65.1 | 170.8 | 0 | 0 | 0 | 110.8 | W111 G112 N115 K116 K121 D122 V123 F198 | W111-I119 HydrophobicContact CE3-CD1 4.29Å; W111-I119 HydrophobicContact CZ3-CD1 3.86Å; W111-I119 HydrophobicContact CZ3-CG1 4.05Å; G112-I119 VanDerWaalsContact CA-CD1 3.41Å; N115-I119 PolarHBondContact O-N 3.19Å; K116-I119 PolarHBondContact O-N 2.86Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 2.94Å; I119-D122 PolarHBondContact O-N 2.92Å; I119-V123 HydrophobicContact CG2-CG2 4.25Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.24Å; I119-V123 PolarHBondContact O-N 3.42Å; I119-F198 HydrophobicContact CG2-CE1 3.72Å; I119-F198 HydrophobicContact CG2-CZ 3.86Å |
| 120 | A | 92.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K116 Q118 K124 F198 | K116-A120 WeakPolarHBondContact O-CB 3.06Å; K116-A120 PolarHBondContact O-N 3.48Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.4Å; A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.31Å; A120-F198 HydrophobicContact CB-CB 3.92Å; A120-F198 HydrophobicContact CB-CD2 3.74Å; A120-F198 HydrophobicContact CB-CE2 4.5Å; A120-F198 HydrophobicContact CB-CG 3.9Å |
| 121 | K | 92.1 | Very high | 90.6 | Very high | 127 Ų | 127 | 56.7 Ų | 56.7 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 174.9 | -70.6 | 170.7 | -173.8 | 174.4 | 0 | 111.9 | D117 Q118 I119 V123 K124 Q125 | D117-K121 WeakPolarHBondContact O-CG 3.38Å; D117-K121 PolarHBondContact O-N 2.95Å; Q118-K121 WeakPolarHBondContact O-CB 3.29Å; Q118-K121 PolarHBondContact O-N 3.44Å; Q118-K121 VanDerWaalsContact O-N 3.1Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 2.94Å; K121-V123 VanDerWaalsContact C-N 3.33Å; K121-V123 PolarHBondContact O-N 2.86Å; K121-K124 PolarHBondContact O-N 2.72Å; K121-Q125 WeakPolarHBondContact O-CB 3.22Å; K121-Q125 PolarHBondContact O-N 2.9Å |
| 122 | D | 90.1 | Very high | 90 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 32% | 0.316 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 180 | -64 | -22.1 | 0 | 0 | 0 | 111.2 | Q118 I119 Q125 F126 | Q118-D122 PolarHBondContact NE2-OD1 3.47Å; Q118-D122 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 2.92Å; D122-Q125 PolarHBondContact O-N 3.43Å; D122-F126 WeakPolarHBondContact O-CB 3.2Å; D122-F126 PolarHBondContact O-N 3.41Å |
| 123 | V | 91.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | I119 K121 F126 Y127 I194 F198 | I119-V123 HydrophobicContact CG2-CG2 4.25Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 3.24Å; I119-V123 PolarHBondContact O-N 3.42Å; K121-V123 VanDerWaalsContact C-N 3.33Å; K121-V123 PolarHBondContact O-N 2.86Å; V123-F126 WeakPolarHBondContact O-CB 3.37Å; V123-F126 PolarHBondContact O-N 3.13Å; V123-Y127 WeakPolarHBondContact O-CB 3.39Å; V123-Y127 PolarHBondContact O-N 2.93Å; V123-I194 HydrophobicContact CB-CG2 4.33Å; V123-I194 HydrophobicContact CG1-CD1 4.24Å; V123-I194 HydrophobicContact CG1-CG1 4.43Å; V123-I194 HydrophobicContact CG1-CG2 4.03Å; V123-F198 HydrophobicContact CB-CE2 4.31Å; V123-F198 HydrophobicContact CG1-CE2 4.42Å; V123-F198 HydrophobicContact CG2-CE2 4.11Å; V123-F198 HydrophobicContact CG2-CZ 4.04Å |
| 124 | K | 90.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.5 | -72.7 | 174.2 | -175.5 | -174.4 | 0 | 111.8 | A120 K121 F126 Y127 D128 H191 I194 D195 | A120-K124 VanDerWaalsContact O-CG 3.3Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.31Å; K121-K124 PolarHBondContact O-N 2.72Å; K124-F126 VanDerWaalsContact C-N 3.34Å; K124-F126 PolarHBondContact O-N 2.94Å; K124-Y127 WeakPolarHBondContact O-CB 3.37Å; K124-Y127 PolarHBondContact O-N 3.26Å; K124-Y127 VanDerWaalsContact O-N 3.16Å; K124-D128 PolarHBondContact O-N 2.81Å; K124-H191 HydrophobicContact CD-CB 4.18Å; K124-H191 VanDerWaalsContact CE-O 3.28Å; K124-H191 WeakPolarHBondContact CE-O 3.48Å; K124-H191 HydrophobicContact CG-CB 4.49Å; K124-I194 HydrophobicContact CG-CB 4.17Å; K124-I194 HydrophobicContact CG-CD1 3.95Å; K124-I194 HydrophobicContact CG-CG2 3.88Å; K124-D195 VanDerWaalsContact CE-CG 3.43Å; K124-D195 WeakPolarHBondContact CE-OD1 3.46Å; K124-D195 WeakPolarHBondContact CE-OD2 3.37Å; K124-D195 IonicContact NZ-OD1 2.72Å; K124-D195 PolarHBondContact NZ-OD1 2.96Å; K124-D195 IonicContact NZ-OD2 3.77Å; K124-D195 PolarHBondContact NZ-OD2 3.3Å |
| 125 | Q | 89.6 | Confident | 88 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 178.5 | -175.7 | 177.8 | 2 | 0 | 0 | 111.6 | T57 K121 D122 Y127 D128 Q129 | T57-Q125 HydrophobicContact CG2-CB 4.3Å; T57-Q125 HydrophobicContact CG2-CG 4.24Å; T57-Q125 PolarHBondContact OG1-NE2 3.42Å; T57-Q125 VanDerWaalsContact OG1-NE2 3.1Å; K121-Q125 WeakPolarHBondContact O-CB 3.22Å; K121-Q125 PolarHBondContact O-N 2.9Å; D122-Q125 PolarHBondContact O-N 3.43Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Q125-D128 PolarHBondContact O-N 3.31Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 2.99Å; Q125-Q129 VanDerWaalsContact O-N 3.15Å |
| 126 | F | 87.9 | Confident | 87.2 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 170.8 | 172.9 | -87.8 | 0 | 0 | 0 | 111.3 | T57 F58 D122 V123 K124 Q129 A130 V146 F150 | T57-F126 HydrophobicContact CG2-CB 4.28Å; F58-F126 HydrophobicContact CB-CD2 4.48Å; F58-F126 HydrophobicContact CD2-CD2 4.08Å; F58-F126 HydrophobicContact CD2-CE1 4.45Å; F58-F126 AromaticContact CD2-CE2 3.54Å; F58-F126 HydrophobicContact CD2-CE2 3.54Å; F58-F126 AromaticContact CD2-CZ 3.75Å; F58-F126 HydrophobicContact CD2-CZ 3.75Å; F58-F126 HydrophobicContact CE2-CE2 4.06Å; F58-F126 AromaticContact CE2-CZ 3.85Å; F58-F126 HydrophobicContact CE2-CZ 3.85Å; F58-F126 HydrophobicContact CG-CE2 4.28Å; F58-F126 VanDerWaalsContact O-CE2 3.31Å; F58-F126 WeakPolarHBondContact O-CE2 3.32Å; D122-F126 WeakPolarHBondContact O-CB 3.2Å; D122-F126 PolarHBondContact O-N 3.41Å; V123-F126 WeakPolarHBondContact O-CB 3.37Å; V123-F126 PolarHBondContact O-N 3.13Å; K124-F126 VanDerWaalsContact C-N 3.34Å; K124-F126 PolarHBondContact O-N 2.94Å; F126-Q129 PolarHBondContact O-N 3.36Å; F126-A130 WeakPolarHBondContact O-CB 3.31Å; F126-A130 PolarHBondContact O-N 3.05Å; F126-V146 HydrophobicContact CE1-CG1 3.98Å; F126-V146 HydrophobicContact CZ-CG1 4.22Å; F126-F150 HydrophobicContact CD1-CE2 4.41Å; F126-F150 HydrophobicContact CD1-CZ 4.07Å; F126-F150 AromaticContact CE1-CE2 3.88Å; F126-F150 HydrophobicContact CE1-CE2 3.88Å; F126-F150 AromaticContact CE1-CZ 3.98Å; F126-F150 HydrophobicContact CE1-CZ 3.98Å |
| 127 | Y | 88.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 179.1 | 170.2 | -96 | 0 | 0 | 0 | 112.5 | V123 K124 Q125 Q129 A130 L131 F150 H151 G158 C190 | V123-Y127 WeakPolarHBondContact O-CB 3.39Å; V123-Y127 PolarHBondContact O-N 2.93Å; K124-Y127 WeakPolarHBondContact O-CB 3.37Å; K124-Y127 PolarHBondContact O-N 3.26Å; K124-Y127 VanDerWaalsContact O-N 3.16Å; Q125-Y127 VanDerWaalsContact C-N 3.35Å; Y127-Q129 VanDerWaalsContact C-N 3.32Å; Y127-Q129 PolarHBondContact O-N 3.47Å; Y127-A130 PolarHBondContact O-N 3.38Å; Y127-L131 HydrophobicContact CE1-CB 4.5Å; Y127-L131 HydrophobicContact CE1-CD2 4.07Å; Y127-L131 WeakPolarHBondContact O-CB 3.25Å; Y127-L131 PolarHBondContact O-N 2.92Å; Y127-F150 HydrophobicContact CD2-CB 4.04Å; Y127-F150 AromaticContact CD2-CD1 3.77Å; Y127-F150 HydrophobicContact CD2-CD1 3.77Å; Y127-F150 HydrophobicContact CD2-CE1 4.42Å; Y127-F150 AromaticContact CD2-CG 3.95Å; Y127-F150 HydrophobicContact CD2-CG 3.95Å; Y127-F150 HydrophobicContact CE2-CB 4.03Å; Y127-F150 HydrophobicContact CE2-CD1 4.49Å; Y127-F150 HydrophobicContact CE2-CG 4.45Å; Y127-H151 AromaticContact CE2-NE2 3.94Å; Y127-H151 AromaticContact CZ-NE2 3.75Å; Y127-H151 PolarHBondContact OH-CD2 3.38Å; Y127-H151 PolarHBondContact OH-NE2 3.46Å; Y127-G158 VanDerWaalsContact OH-CA 3.24Å; Y127-G158 WeakPolarHBondContact OH-CA 3.28Å; Y127-G158 PolarHBondContact OH-N 2.66Å; Y127-G158 PolarHBondContact OH-O 3.37Å; Y127-C190 HydrophobicContact CD1-CB 4.29Å; Y127-C190 HydrophobicContact CE1-CB 3.7Å; Y127-C190 HydrophobicContact CE2-CB 4.21Å; Y127-C190 PolarHBondContact OH-SG 3.1Å; Y127-C190 VanDerWaalsContact OH-SG 3.33Å |
| 128 | D | 87.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 52 Ų | 52 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 179.6 | -73.9 | -22.4 | 0 | 0 | 0 | 112 | K124 Q125 L131 Q132 S159 H191 | K124-D128 PolarHBondContact O-N 2.81Å; Q125-D128 PolarHBondContact O-N 3.31Å; D128-L131 PolarHBondContact O-N 3.39Å; D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.31Å; D128-Q132 PolarHBondContact O-N 2.79Å; D128-S159 WeakPolarHBondContact OD1-CB 3.46Å; D128-H191 IonicContact OD1-CD2 3.06Å; D128-H191 IonicContact OD1-CE1 2.74Å; D128-H191 IonicContact OD1-NE2 3.98Å; D128-H191 PolarHBondContact OD1-NE2 3.36Å; D128-H191 IonicContact OD2-CE1 2.66Å; D128-H191 PolarHBondContact OD2-CE1 2.89Å; D128-H191 IonicContact OD2-NE2 2.72Å; D128-H191 PolarHBondContact OD2-NE2 2.89Å |
| 129 | Q | 84.3 | Confident | 84.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -42 | 177.2 | -68.6 | 169.8 | 4.6 | 0 | 0 | 111.3 | P55 T57 F58 Q125 F126 Y127 Q132 Q133 | P55-Q129 HydrophobicContact CB-CB 4.4Å; P55-Q129 HydrophobicContact CB-CG 3.61Å; P55-Q129 VanDerWaalsContact CB-NE2 3.26Å; P55-Q129 HydrophobicContact CG-CG 4.48Å; P55-Q129 PolarHBondContact O-OE1 2.78Å; T57-Q129 VanDerWaalsContact CB-OE1 3.27Å; T57-Q129 PolarHBondContact OG1-NE2 3.29Å; F58-Q129 HydrophobicContact CB-CB 4.06Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 2.99Å; Q125-Q129 VanDerWaalsContact O-N 3.15Å; F126-Q129 PolarHBondContact O-N 3.36Å; Y127-Q129 VanDerWaalsContact C-N 3.32Å; Y127-Q129 PolarHBondContact O-N 3.47Å; Q129-Q132 PolarHBondContact O-N 3.35Å; Q129-Q133 WeakPolarHBondContact O-CB 3.44Å; Q129-Q133 PolarHBondContact O-N 3.44Å |
| 130 | A | 84.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F58 F126 Y127 A134 V146 V147 | F58-A130 HydrophobicContact CD2-CB 3.79Å; F58-A130 HydrophobicContact CE2-CB 3.65Å; F126-A130 WeakPolarHBondContact O-CB 3.31Å; F126-A130 PolarHBondContact O-N 3.05Å; Y127-A130 PolarHBondContact O-N 3.38Å; A130-A134 VanDerWaalsContact O-CB 3.23Å; A130-A134 WeakPolarHBondContact O-CB 3.39Å; A130-A134 PolarHBondContact O-N 2.77Å; A130-V146 HydrophobicContact CB-CG1 4.34Å; A130-V147 VanDerWaalsContact C-CG2 3.46Å; A130-V147 HydrophobicContact CB-CG2 3.91Å; A130-V147 WeakPolarHBondContact O-CG2 3.48Å |
| 131 | L | 84.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 178 | -178.2 | 65.5 | 0 | 0 | 0 | 111.5 | Y127 D128 Q133 A134 V135 V147 T167 | Y127-L131 HydrophobicContact CE1-CB 4.5Å; Y127-L131 HydrophobicContact CE1-CD2 4.07Å; Y127-L131 WeakPolarHBondContact O-CB 3.25Å; Y127-L131 PolarHBondContact O-N 2.92Å; D128-L131 PolarHBondContact O-N 3.39Å; L131-Q133 PolarHBondContact O-N 2.95Å; L131-A134 PolarHBondContact O-N 2.95Å; L131-V135 HydrophobicContact CD1-CG2 4.02Å; L131-V135 HydrophobicContact CG-CG2 4.36Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 VanDerWaalsContact O-CG2 3.29Å; L131-V135 WeakPolarHBondContact O-CG2 3.03Å; L131-V135 PolarHBondContact O-N 3.39Å; L131-V147 HydrophobicContact CB-CG2 4.3Å; L131-V147 HydrophobicContact CD1-CG1 3.71Å; L131-T167 HydrophobicContact CD1-CG2 4.35Å |
| 132 | Q | 83.1 | Confident | 82.5 | Confident | 129 Ų | 129 | 51.1 Ų | 51.1 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.3 | -47.5 | 178 | -175.7 | 176.9 | 3.9 | 0 | 0 | 111.1 | D128 Q129 A134 V135 V136 | D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.31Å; D128-Q132 PolarHBondContact O-N 2.79Å; Q129-Q132 PolarHBondContact O-N 3.35Å; Q132-A134 PolarHBondContact O-N 3.14Å; Q132-V135 PolarHBondContact O-N 3.49Å; Q132-V136 HydrophobicContact CG-CG2 4.3Å; Q132-V136 WeakPolarHBondContact O-CB 3.22Å; Q132-V136 VanDerWaalsContact O-CG2 3.31Å; Q132-V136 WeakPolarHBondContact O-CG2 3.24Å; Q132-V136 PolarHBondContact O-N 2.78Å |
| 133 | Q | 79.6 | Confident | 82 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.7 | -170.3 | 68.2 | 24.3 | 0 | 0 | 111.1 | Q129 L131 V135 D137 A140 A143 | Q129-Q133 WeakPolarHBondContact O-CB 3.44Å; Q129-Q133 PolarHBondContact O-N 3.44Å; L131-Q133 PolarHBondContact O-N 2.95Å; Q133-V135 VanDerWaalsContact C-N 3.3Å; Q133-V135 PolarHBondContact O-N 3.23Å; Q133-D137 PolarHBondContact NE2-OD2 3.3Å; Q133-D137 WeakPolarHBondContact O-CB 3.36Å; Q133-D137 PolarHBondContact O-N 3.01Å; Q133-A140 HydrophobicContact CG-CB 3.99Å; Q133-A143 HydrophobicContact CB-CB 3.9Å; Q133-A143 HydrophobicContact CG-CB 3.85Å |
| 134 | A | 80.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -27.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A130 L131 Q132 A143 K144 V147 K171 L174 | A130-A134 VanDerWaalsContact O-CB 3.23Å; A130-A134 WeakPolarHBondContact O-CB 3.39Å; A130-A134 PolarHBondContact O-N 2.77Å; L131-A134 PolarHBondContact O-N 2.95Å; Q132-A134 PolarHBondContact O-N 3.14Å; A134-A143 HydrophobicContact CB-CB 4Å; A134-K144 HydrophobicContact CB-CG 3.98Å; A134-V147 HydrophobicContact CB-CB 4.37Å; A134-V147 HydrophobicContact CB-CG2 3.85Å; A134-K171 WeakPolarHBondContact O-CD 3.37Å; A134-K171 WeakPolarHBondContact O-CE 3.48Å; A134-K171 PolarHBondContact O-NZ 3.29Å; A134-L174 HydrophobicContact CB-CD2 4.02Å |
| 135 | V | 78.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -84.5 | -50.3 | 179 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | L131 Q132 Q133 K171 | L131-V135 HydrophobicContact CD1-CG2 4.02Å; L131-V135 HydrophobicContact CG-CG2 4.36Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 VanDerWaalsContact O-CG2 3.29Å; L131-V135 WeakPolarHBondContact O-CG2 3.03Å; L131-V135 PolarHBondContact O-N 3.39Å; Q132-V135 PolarHBondContact O-N 3.49Å; Q133-V135 VanDerWaalsContact C-N 3.3Å; Q133-V135 PolarHBondContact O-N 3.23Å; V135-K171 PolarHBondContact O-NZ 3.01Å |
| 136 | V | 77.9 | Confident | 81.2 | Confident | 118 Ų | 118 | 45.8 Ų | 45.8 | 72% | 0.715 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.7 | -40.5 | -174.1 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | Q132 | Q132-V136 HydrophobicContact CG-CG2 4.3Å; Q132-V136 WeakPolarHBondContact O-CB 3.22Å; Q132-V136 VanDerWaalsContact O-CG2 3.31Å; Q132-V136 WeakPolarHBondContact O-CG2 3.24Å; Q132-V136 PolarHBondContact O-N 2.78Å |
| 137 | D | 75 | Confident | 81.2 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -103 | 118.6 | -177.1 | -171.3 | -9.3 | 0 | 0 | 0 | 109.7 | Q133 D139 A140 K171 | Q133-D137 PolarHBondContact NE2-OD2 3.3Å; Q133-D137 WeakPolarHBondContact O-CB 3.36Å; Q133-D137 PolarHBondContact O-N 3.01Å; D137-D139 VanDerWaalsContact C-N 3.34Å; D137-D139 PolarHBondContact OD1-N 3.49Å; D137-A140 HydrophobicContact CB-CB 3.73Å; D137-A140 PolarHBondContact OD1-N 2.95Å; D137-K171 PolarHBondContact O-NZ 3.5Å | ||
| 138 | D | 70.7 | Confident | 81.1 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -81.1 | -17.8 | 178.9 | -148.5 | 37.2 | 0 | 0 | 0 | 113 | K144 K171 | D138-K144 WeakPolarHBondContact O-CE 3.08Å; D138-K144 PolarHBondContact O-NZ 3.3Å; D138-K144 IonicContact OD1-NZ 2.72Å; D138-K144 PolarHBondContact OD1-NZ 3.03Å; D138-K171 WeakPolarHBondContact OD1-CE 3.46Å; D138-K171 IonicContact OD1-NZ 3Å; D138-K171 PolarHBondContact OD1-NZ 3.05Å |
| 139 | D | 73.6 | Confident | 81.1 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -91.7 | -8.8 | 177.7 | -64.4 | -44.2 | 0 | 0 | 0 | 112.4 | D137 N141 | D137-D139 VanDerWaalsContact C-N 3.34Å; D137-D139 PolarHBondContact OD1-N 3.49Å; D139-N141 PolarHBondContact O-N 3.37Å; D139-N141 PolarHBondContact O-ND2 2.99Å |
| 140 | A | 74.3 | Confident | 81.3 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | trans | -72.7 | 62.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q133 D137 N142 A143 K144 | Q133-A140 HydrophobicContact CG-CB 3.99Å; D137-A140 HydrophobicContact CB-CB 3.73Å; D137-A140 PolarHBondContact OD1-N 2.95Å; A140-N142 PolarHBondContact O-N 3.46Å; A140-A143 HydrophobicContact CB-CB 4.2Å; A140-A143 PolarHBondContact O-N 3.27Å; A140-K144 WeakPolarHBondContact O-CG 3.39Å; A140-K144 PolarHBondContact O-N 3.5Å; A140-K144 VanDerWaalsContact O-N 3.08Å | ||
| 141 | N | 79.7 | Confident | 81.5 | Confident | 105 Ų | 105 | 50.7 Ų | 50.7 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.3 | -31.5 | 179.8 | -68.5 | -48 | 0 | 0 | 0 | 112.8 | D139 A145 | D139-N141 PolarHBondContact O-N 3.37Å; D139-N141 PolarHBondContact O-ND2 2.99Å; N141-A145 WeakPolarHBondContact O-CB 3.21Å; N141-A145 PolarHBondContact O-N 2.81Å |
| 142 | N | 79.9 | Confident | 81.6 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.08 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -46.3 | 179.8 | -67.4 | -20 | 0 | 0 | 0 | 112.3 | W34 L35 D38 A140 K144 A145 V146 | W34-N142 PolarHBondContact NE1-OD1 3.29Å; W34-N142 PolarHBondContact O-ND2 3.29Å; L35-N142 HydrophobicContact CD2-CB 3.8Å; D38-N142 VanDerWaalsContact CB-ND2 3.27Å; D38-N142 WeakPolarHBondContact CB-ND2 3.38Å; D38-N142 WeakPolarHBondContact OD2-CB 3.37Å; D38-N142 PolarHBondContact OD2-ND2 3.22Å; A140-N142 PolarHBondContact O-N 3.46Å; N142-K144 VanDerWaalsContact C-N 3.34Å; N142-A145 PolarHBondContact O-N 3.3Å; N142-V146 WeakPolarHBondContact O-CG2 3.05Å; N142-V146 PolarHBondContact O-N 2.9Å; N142-V146 VanDerWaalsContact O-N 3.16Å |
| 143 | A | 80.1 | Confident | 81.9 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q133 A134 A140 A145 V146 V147 | Q133-A143 HydrophobicContact CB-CB 3.9Å; Q133-A143 HydrophobicContact CG-CB 3.85Å; A134-A143 HydrophobicContact CB-CB 4Å; A140-A143 HydrophobicContact CB-CB 4.2Å; A140-A143 PolarHBondContact O-N 3.27Å; A143-A145 VanDerWaalsContact C-N 3.32Å; A143-A145 PolarHBondContact O-N 2.87Å; A143-V146 PolarHBondContact O-N 3.49Å; A143-V147 VanDerWaalsContact O-CG2 3.32Å; A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 3.25Å |
| 144 | K | 83.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 174.1 | -70.5 | 173.2 | 176.5 | -175.1 | 0 | 112.2 | A134 D138 A140 N142 V147 K148 K171 L174 | A134-K144 HydrophobicContact CB-CG 3.98Å; D138-K144 WeakPolarHBondContact O-CE 3.08Å; D138-K144 PolarHBondContact O-NZ 3.3Å; D138-K144 IonicContact OD1-NZ 2.72Å; D138-K144 PolarHBondContact OD1-NZ 3.03Å; A140-K144 WeakPolarHBondContact O-CG 3.39Å; A140-K144 PolarHBondContact O-N 3.5Å; A140-K144 VanDerWaalsContact O-N 3.08Å; N142-K144 VanDerWaalsContact C-N 3.34Å; K144-V147 PolarHBondContact O-N 2.93Å; K144-K148 VanDerWaalsContact O-CB 3.23Å; K144-K148 WeakPolarHBondContact O-CB 3.48Å; K144-K148 PolarHBondContact O-N 2.87Å; K144-K171 VanDerWaalsContact CE-CE 3.48Å; K144-L174 HydrophobicContact CG-CD2 4.44Å |
| 145 | A | 85.3 | Confident | 82.5 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N141 N142 A143 K148 T149 | N141-A145 WeakPolarHBondContact O-CB 3.21Å; N141-A145 PolarHBondContact O-N 2.81Å; N142-A145 PolarHBondContact O-N 3.3Å; A143-A145 VanDerWaalsContact C-N 3.32Å; A143-A145 PolarHBondContact O-N 2.87Å; A145-K148 PolarHBondContact O-N 2.86Å; A145-T149 WeakPolarHBondContact O-CG2 3.39Å; A145-T149 PolarHBondContact O-N 3.37Å; A145-T149 PolarHBondContact O-OG1 3.4Å |
| 146 | V | 85.9 | Confident | 82.9 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | L35 F126 A130 N142 A143 K148 T149 F150 | L35-V146 HydrophobicContact CD1-CG2 4.04Å; L35-V146 HydrophobicContact CD2-CG2 3.83Å; F126-V146 HydrophobicContact CE1-CG1 3.98Å; F126-V146 HydrophobicContact CZ-CG1 4.22Å; A130-V146 HydrophobicContact CB-CG1 4.34Å; N142-V146 WeakPolarHBondContact O-CG2 3.05Å; N142-V146 PolarHBondContact O-N 2.9Å; N142-V146 VanDerWaalsContact O-N 3.16Å; A143-V146 PolarHBondContact O-N 3.49Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.47Å; V146-T149 PolarHBondContact O-N 2.03Å; V146-T149 PolarHBondContact O-OG1 3.33Å; V146-F150 HydrophobicContact CG1-CD2 3.93Å; V146-F150 HydrophobicContact CG1-CE2 3.91Å; V146-F150 VanDerWaalsContact O-CD2 3.29Å; V146-F150 WeakPolarHBondContact O-CD2 3.23Å; V146-F150 PolarHBondContact O-N 2.91Å |
| 147 | V | 87.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | -178.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | A130 L131 A134 A143 K144 F150 H151 L174 | A130-V147 VanDerWaalsContact C-CG2 3.46Å; A130-V147 HydrophobicContact CB-CG2 3.91Å; A130-V147 WeakPolarHBondContact O-CG2 3.48Å; L131-V147 HydrophobicContact CB-CG2 4.3Å; L131-V147 HydrophobicContact CD1-CG1 3.71Å; A134-V147 HydrophobicContact CB-CB 4.37Å; A134-V147 HydrophobicContact CB-CG2 3.85Å; A143-V147 VanDerWaalsContact O-CG2 3.32Å; A143-V147 WeakPolarHBondContact O-CG2 3.38Å; A143-V147 PolarHBondContact O-N 3.25Å; K144-V147 PolarHBondContact O-N 2.93Å; V147-F150 WeakPolarHBondContact O-CB 3.29Å; V147-F150 PolarHBondContact O-N 3.36Å; V147-H151 WeakPolarHBondContact CG1-CE1 3.16Å; V147-H151 WeakPolarHBondContact O-CB 3.36Å; V147-H151 VanDerWaalsContact O-CG 3.24Å; V147-H151 PolarHBondContact O-N 2.9Å; V147-L174 HydrophobicContact CG1-CD2 4.14Å |
| 148 | K | 87.1 | Confident | 83.7 | Confident | 94 Ų | 94 | 46.9 Ų | 46.9 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.2 | -175.6 | 176.5 | 176.6 | -179 | 0 | 111.8 | K144 A145 V146 F150 H151 E152 | K144-K148 VanDerWaalsContact O-CB 3.23Å; K144-K148 WeakPolarHBondContact O-CB 3.48Å; K144-K148 PolarHBondContact O-N 2.87Å; A145-K148 PolarHBondContact O-N 2.86Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.47Å; K148-F150 VanDerWaalsContact C-N 3.35Å; K148-F150 PolarHBondContact O-N 3.05Å; K148-H151 PolarHBondContact O-N 3.14Å; K148-E152 WeakPolarHBondContact CE-OE1 3.28Å; K148-E152 IonicContact NZ-OE1 2.71Å; K148-E152 WeakPolarHBondContact O-CG 3.46Å; K148-E152 PolarHBondContact O-N 3.35Å |
| 149 | T | 87.6 | Confident | 84.2 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 177 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | A145 V146 E152 T153 | A145-T149 WeakPolarHBondContact O-CG2 3.39Å; A145-T149 PolarHBondContact O-N 3.37Å; A145-T149 PolarHBondContact O-OG1 3.4Å; V146-T149 PolarHBondContact O-N 2.03Å; V146-T149 PolarHBondContact O-OG1 3.33Å; T149-E152 PolarHBondContact O-N 2.88Å; T149-T153 WeakPolarHBondContact O-CB 3.07Å; T149-T153 PolarHBondContact O-N 3.48Å; T149-T153 PolarHBondContact O-OG1 2.96Å |
| 150 | F | 88.7 | Confident | 84.5 | Confident | 48 Ų | 48 | 40 Ų | 40 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 171.9 | -93.2 | -102.2 | 0 | 0 | 0 | 111.8 | F126 Y127 V146 V147 K148 E152 T153 L154 | F126-F150 HydrophobicContact CD1-CE2 4.41Å; F126-F150 HydrophobicContact CD1-CZ 4.07Å; F126-F150 AromaticContact CE1-CE2 3.88Å; F126-F150 HydrophobicContact CE1-CE2 3.88Å; F126-F150 AromaticContact CE1-CZ 3.98Å; F126-F150 HydrophobicContact CE1-CZ 3.98Å; Y127-F150 HydrophobicContact CD2-CB 4.04Å; Y127-F150 AromaticContact CD2-CD1 3.77Å; Y127-F150 HydrophobicContact CD2-CD1 3.77Å; Y127-F150 HydrophobicContact CD2-CE1 4.42Å; Y127-F150 AromaticContact CD2-CG 3.95Å; Y127-F150 HydrophobicContact CD2-CG 3.95Å; Y127-F150 HydrophobicContact CE2-CB 4.03Å; Y127-F150 HydrophobicContact CE2-CD1 4.49Å; Y127-F150 HydrophobicContact CE2-CG 4.45Å; V146-F150 HydrophobicContact CG1-CD2 3.93Å; V146-F150 HydrophobicContact CG1-CE2 3.91Å; V146-F150 VanDerWaalsContact O-CD2 3.29Å; V146-F150 WeakPolarHBondContact O-CD2 3.23Å; V146-F150 PolarHBondContact O-N 2.91Å; V147-F150 WeakPolarHBondContact O-CB 3.29Å; V147-F150 PolarHBondContact O-N 3.36Å; K148-F150 VanDerWaalsContact C-N 3.35Å; K148-F150 PolarHBondContact O-N 3.05Å; F150-E152 PolarHBondContact O-N 3.43Å; F150-T153 PolarHBondContact O-N 2.86Å; F150-L154 HydrophobicContact CD1-CD1 3.96Å; F150-L154 WeakPolarHBondContact O-CB 3.39Å; F150-L154 PolarHBondContact O-N 3.29Å |
| 151 | H | 87.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 179.6 | -72.4 | 172.2 | 0 | 0 | 0 | 112.9 | Y127 V147 K148 D155 C156 C157 G158 L174 C190 | Y127-H151 AromaticContact CE2-NE2 3.94Å; Y127-H151 AromaticContact CZ-NE2 3.75Å; Y127-H151 PolarHBondContact OH-CD2 3.38Å; Y127-H151 PolarHBondContact OH-NE2 3.46Å; V147-H151 WeakPolarHBondContact CG1-CE1 3.16Å; V147-H151 WeakPolarHBondContact O-CB 3.36Å; V147-H151 VanDerWaalsContact O-CG 3.24Å; V147-H151 PolarHBondContact O-N 2.9Å; K148-H151 PolarHBondContact O-N 3.14Å; H151-D155 VanDerWaalsContact O-CA 3.22Å; H151-D155 WeakPolarHBondContact O-CA 3.43Å; H151-D155 PolarHBondContact O-N 3.06Å; H151-C156 VanDerWaalsContact CA-O 3.23Å; H151-C156 WeakPolarHBondContact CA-O 3.26Å; H151-C156 WeakPolarHBondContact CB-O 3.47Å; H151-C156 PolarHBondContact CD2-O 3.22Å; H151-C156 VanDerWaalsContact CD2-O 3.29Å; H151-C156 VanDerWaalsContact CG-O 3.29Å; H151-C156 PolarHBondContact O-N 2.89Å; H151-C157 PolarHBondContact CE1-SG 2.94Å; H151-G158 PolarHBondContact NE2-N 2.74Å; H151-G158 VanDerWaalsContact NE2-N 3.14Å; H151-L174 PolarHBondContact ND1-O 2.74Å; H151-C190 VanDerWaalsContact CD2-SG 3.58Å |
| 152 | E | 87.3 | Confident | 84.1 | Confident | 101 Ų | 101 | 44.1 Ų | 44.1 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -37.7 | 177.3 | -71.4 | 178.1 | 175.2 | 0 | 0 | 112.3 | K148 T149 F150 | K148-E152 WeakPolarHBondContact CE-OE1 3.28Å; K148-E152 IonicContact NZ-OE1 2.71Å; K148-E152 WeakPolarHBondContact O-CG 3.46Å; K148-E152 PolarHBondContact O-N 3.35Å; T149-E152 PolarHBondContact O-N 2.88Å; F150-E152 PolarHBondContact O-N 3.43Å |
| 153 | T | 88.5 | Confident | 83.7 | Confident | 115 Ų | 115 | 44.1 Ų | 44.1 | 71% | 0.706 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -77.1 | -41.2 | -176.1 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | T149 F150 | T149-T153 WeakPolarHBondContact O-CB 3.07Å; T149-T153 PolarHBondContact O-N 3.48Å; T149-T153 PolarHBondContact O-OG1 2.96Å; F150-T153 PolarHBondContact O-N 2.86Å |
| 154 | L | 86.9 | Confident | 83.2 | Confident | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -93.2 | -6.2 | -178.8 | -63.8 | 177.2 | 0 | 0 | 0 | 113.1 | F150 C156 K193 I194 L197 | F150-L154 HydrophobicContact CD1-CD1 3.96Å; F150-L154 WeakPolarHBondContact O-CB 3.39Å; F150-L154 PolarHBondContact O-N 3.29Å; L154-C156 VanDerWaalsContact CB-SG 3.58Å; L154-K193 HydrophobicContact CB-CB 4.33Å; L154-I194 HydrophobicContact CD1-CG1 3.93Å; L154-L197 HydrophobicContact CD2-CD1 3.92Å |
| 155 | D | 86.6 | Confident | 82.5 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 52.9 | -176.8 | -168.5 | 33 | 0 | 0 | 0 | 112 | H151 K187 | H151-D155 VanDerWaalsContact O-CA 3.22Å; H151-D155 WeakPolarHBondContact O-CA 3.43Å; H151-D155 PolarHBondContact O-N 3.06Å; D155-K187 VanDerWaalsContact CG-CE 3.5Å; D155-K187 VanDerWaalsContact O-CE 3.29Å; D155-K187 WeakPolarHBondContact O-CE 3.42Å; D155-K187 IonicContact OD1-NZ 3.51Å; D155-K187 PolarHBondContact OD1-NZ 3.04Å; D155-K187 WeakPolarHBondContact OD2-CE 3.4Å; D155-K187 IonicContact OD2-NZ 3.7Å; D155-K187 PolarHBondContact OD2-NZ 3.17Å |
| 156 | C | 86.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -137.6 | 164.3 | -177.3 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | H151 L154 C190 K193 | H151-C156 VanDerWaalsContact CA-O 3.23Å; H151-C156 WeakPolarHBondContact CA-O 3.26Å; H151-C156 WeakPolarHBondContact CB-O 3.47Å; H151-C156 PolarHBondContact CD2-O 3.22Å; H151-C156 VanDerWaalsContact CD2-O 3.29Å; H151-C156 VanDerWaalsContact CG-O 3.29Å; H151-C156 PolarHBondContact O-N 2.89Å; L154-C156 VanDerWaalsContact CB-SG 3.58Å; C156-C190 HydrophobicContact CB-CB 3.98Å; C156-C190 WeakPolarHBondContact CB-SG 3.42Å; C156-C190 WeakPolarHBondContact SG-CA 3.37Å; C156-C190 WeakPolarHBondContact SG-CB 3.48Å; C156-C190 CovalentContact SG-SG 2.03Å; C156-C190 PolarHBondContact SG-SG 3.16Å; C156-K193 HydrophobicContact CB-CG 4.11Å | ||
| 157 | C | 85.9 | Confident | 81 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | trans | -141.2 | 129.6 | 168.6 | -160.1 | 0 | 0 | 0 | 0 | 110.7 | H151 A164 C175 | H151-C157 PolarHBondContact CE1-SG 2.94Å; C157-A164 WeakPolarHBondContact O-CB 3Å; C157-C175 HydrophobicContact CB-CB 3.97Å; C157-C175 WeakPolarHBondContact CB-SG 3.32Å; C157-C175 VanDerWaalsContact SG-CA 3.54Å; C157-C175 WeakPolarHBondContact SG-CB 3.31Å; C157-C175 CovalentContact SG-SG 2.05Å; C157-C175 PolarHBondContact SG-SG 3.21Å | ||
| 158 | G | 84 | Confident | 80 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 75.7 | 160.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y127 H151 C190 | Y127-G158 VanDerWaalsContact OH-CA 3.24Å; Y127-G158 WeakPolarHBondContact OH-CA 3.28Å; Y127-G158 PolarHBondContact OH-N 2.66Å; Y127-G158 PolarHBondContact OH-O 3.37Å; H151-G158 PolarHBondContact NE2-N 2.74Å; H151-G158 VanDerWaalsContact NE2-N 3.14Å; G158-C190 WeakPolarHBondContact O-CB 3.5Å; G158-C190 PolarHBondContact O-N 3.11Å |
| 159 | S | 81.6 | Confident | 79.2 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -76.3 | -28.9 | 179.2 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | D128 A163 H191 | D128-S159 WeakPolarHBondContact OD1-CB 3.46Å; S159-A163 WeakPolarHBondContact OG-CB 3.47Å; S159-H191 PolarHBondContact O-CD2 3.1Å |
| 160 | S | 79.6 | Confident | 78.3 | Confident | 50 Ų | 50 | 48 Ų | 48 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -144.7 | 167.2 | 179 | 60 | 0 | 0 | 0 | 0 | 109.2 | L162 A163 A164 | S160-L162 PolarHBondContact O-N 3.37Å; S160-A163 CarbonylContact O-C 3.54Å; S160-A163 PolarHBondContact O-N 3.21Å; S160-A163 VanDerWaalsContact O-N 3.07Å; S160-A163 WeakPolarHBondContact OG-CB 3.49Å; S160-A163 PolarHBondContact OG-N 3.15Å; S160-A164 WeakPolarHBondContact O-CB 3.42Å; S160-A164 PolarHBondContact O-N 3.02Å |
| 161 | T | 73 | Confident | 77.5 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -37.4 | 176.4 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | A164 L165 | T161-A164 WeakPolarHBondContact O-CB 3.34Å; T161-A164 PolarHBondContact O-N 3.29Å; T161-L165 WeakPolarHBondContact O-CG 3.17Å; T161-L165 PolarHBondContact O-N 2.99Å; T161-L165 VanDerWaalsContact O-N 3.15Å |
| 162 | L | 71.7 | Confident | 76.5 | Confident | 121 Ų | 121 | 51.1 Ų | 51.1 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.6 | -42.7 | 175.3 | -174 | 64.3 | 0 | 0 | 0 | 111.8 | S160 A164 L165 T166 | S160-L162 PolarHBondContact O-N 3.37Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 2.95Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.25Å; L162-T166 WeakPolarHBondContact O-CG2 3.31Å; L162-T166 PolarHBondContact O-N 3.16Å; L162-T166 PolarHBondContact O-OG1 2.9Å |
| 163 | A | 72.9 | Confident | 75.7 | Confident | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -30.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S159 S160 T166 T167 | S159-A163 WeakPolarHBondContact OG-CB 3.47Å; S160-A163 CarbonylContact O-C 3.54Å; S160-A163 PolarHBondContact O-N 3.21Å; S160-A163 VanDerWaalsContact O-N 3.07Å; S160-A163 WeakPolarHBondContact OG-CB 3.49Å; S160-A163 PolarHBondContact OG-N 3.15Å; A163-T166 WeakPolarHBondContact CA-OG1 3.28Å; A163-T166 PolarHBondContact O-OG1 3.46Å; A163-T167 WeakPolarHBondContact O-CB 3.49Å; A163-T167 PolarHBondContact O-N 3.38Å; A163-T167 PolarHBondContact O-OG1 3.38Å |
| 164 | A | 68.7 | Low | 74.9 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C157 S160 T161 L162 S168 | C157-A164 WeakPolarHBondContact O-CB 3Å; S160-A164 WeakPolarHBondContact O-CB 3.42Å; S160-A164 PolarHBondContact O-N 3.02Å; T161-A164 WeakPolarHBondContact O-CB 3.34Å; T161-A164 PolarHBondContact O-N 3.29Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 2.95Å; A164-S168 WeakPolarHBondContact O-CB 3.49Å; A164-S168 PolarHBondContact O-N 2.05Å; A164-S168 PolarHBondContact O-OG 2.69Å |
| 165 | L | 68.4 | Low | 74.5 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 174.5 | -73.7 | 172 | 0 | 0 | 0 | 111.9 | T161 L162 T167 S168 V169 I181 L185 | T161-L165 WeakPolarHBondContact O-CG 3.17Å; T161-L165 PolarHBondContact O-N 2.99Å; T161-L165 VanDerWaalsContact O-N 3.15Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 3.25Å; L165-T167 VanDerWaalsContact C-N 3.33Å; L165-T167 PolarHBondContact O-N 3.19Å; L165-S168 PolarHBondContact O-N 2.95Å; L165-V169 WeakPolarHBondContact O-CB 3.2Å; L165-V169 VanDerWaalsContact O-CG2 3.23Å; L165-V169 WeakPolarHBondContact O-CG2 3.43Å; L165-V169 PolarHBondContact O-N 3.07Å; L165-I181 HydrophobicContact CD2-CG2 3.75Å; L165-L185 HydrophobicContact CD1-CD1 3.73Å; L165-L185 HydrophobicContact CD2-CB 4.47Å; L165-L185 HydrophobicContact CD2-CD1 4.01Å; L165-L185 HydrophobicContact CD2-CD2 4.45Å; L165-L185 HydrophobicContact CG-CD1 3.76Å |
| 166 | T | 72.6 | Confident | 73.9 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | -180 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | L162 A163 V169 L170 | L162-T166 WeakPolarHBondContact O-CG2 3.31Å; L162-T166 PolarHBondContact O-N 3.16Å; L162-T166 PolarHBondContact O-OG1 2.9Å; A163-T166 WeakPolarHBondContact CA-OG1 3.28Å; A163-T166 PolarHBondContact O-OG1 3.46Å; T166-V169 PolarHBondContact O-N 2.77Å; T166-L170 WeakPolarHBondContact O-CB 3.29Å; T166-L170 WeakPolarHBondContact O-CG 3.48Å; T166-L170 PolarHBondContact O-N 2.94Å |
| 167 | T | 68.8 | Low | 72.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | L131 A163 L165 V169 K171 N172 L174 | L131-T167 HydrophobicContact CD1-CG2 4.35Å; A163-T167 WeakPolarHBondContact O-CB 3.49Å; A163-T167 PolarHBondContact O-N 3.38Å; A163-T167 PolarHBondContact O-OG1 3.38Å; L165-T167 VanDerWaalsContact C-N 3.33Å; L165-T167 PolarHBondContact O-N 3.19Å; T167-V169 PolarHBondContact O-N 2.92Å; T167-K171 CarbonylContact O-C 2.96Å; T167-K171 WeakPolarHBondContact O-CA 3.23Å; T167-K171 PolarHBondContact O-N 3.4Å; T167-N172 PolarHBondContact O-N 3.47Å; T167-L174 HydrophobicContact CG2-CB 4.22Å |
| 168 | S | 66.2 | Low | 71.3 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | A164 L165 N172 C175 N184 | A164-S168 WeakPolarHBondContact O-CB 3.49Å; A164-S168 PolarHBondContact O-N 2.05Å; A164-S168 PolarHBondContact O-OG 2.69Å; L165-S168 PolarHBondContact O-N 2.95Å; S168-N172 WeakPolarHBondContact O-CB 3.11Å; S168-C175 PolarHBondContact OG-SG 3.14Å; S168-C175 VanDerWaalsContact OG-SG 3.38Å; S168-N184 PolarHBondContact OG-ND2 2.98Å |
| 169 | V | 68.9 | Low | 70.1 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.7 | -44.3 | -179.2 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | L165 T166 T167 I181 | L165-V169 WeakPolarHBondContact O-CB 3.2Å; L165-V169 VanDerWaalsContact O-CG2 3.23Å; L165-V169 WeakPolarHBondContact O-CG2 3.43Å; L165-V169 PolarHBondContact O-N 3.07Å; T166-V169 PolarHBondContact O-N 2.77Å; T167-V169 PolarHBondContact O-N 2.92Å; V169-I181 HydrophobicContact CG2-CD1 4.39Å |
| 170 | L | 68.8 | Low | 69.4 | Low | 128 Ų | 128 | 59 Ų | 59 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -85.3 | -30.9 | -176.2 | -67.2 | 166.5 | 0 | 0 | 0 | 112.9 | T166 | T166-L170 WeakPolarHBondContact O-CB 3.29Å; T166-L170 WeakPolarHBondContact O-CG 3.48Å; T166-L170 PolarHBondContact O-N 2.94Å |
| 171 | K | 72.3 | Confident | 68.9 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | trans | -147.3 | 53.1 | -166 | -115 | 170.9 | -170.4 | 166.8 | 0 | 111.1 | A134 V135 D137 D138 K144 T167 N173 L174 | A134-K171 WeakPolarHBondContact O-CD 3.37Å; A134-K171 WeakPolarHBondContact O-CE 3.48Å; A134-K171 PolarHBondContact O-NZ 3.29Å; V135-K171 PolarHBondContact O-NZ 3.01Å; D137-K171 PolarHBondContact O-NZ 3.5Å; D138-K171 WeakPolarHBondContact OD1-CE 3.46Å; D138-K171 IonicContact OD1-NZ 3Å; D138-K171 PolarHBondContact OD1-NZ 3.05Å; K144-K171 VanDerWaalsContact CE-CE 3.48Å; T167-K171 CarbonylContact O-C 2.96Å; T167-K171 WeakPolarHBondContact O-CA 3.23Å; T167-K171 PolarHBondContact O-N 3.4Å; K171-N173 PolarHBondContact O-N 3.29Å; K171-L174 HydrophobicContact CB-CD1 3.86Å; K171-L174 HydrophobicContact CD-CD1 3.91Å; K171-L174 HydrophobicContact CD-CD2 4.33Å; K171-L174 HydrophobicContact CG-CD1 3.67Å; K171-L174 WeakPolarHBondContact O-CB 3.24Å; K171-L174 PolarHBondContact O-N 3.41Å | ||
| 172 | N | 67.1 | Low | 68.6 | Low | 88 Ų | 88 | 63 Ų | 63 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -50.9 | -29.3 | -177.6 | -163.5 | 33 | 0 | 0 | 0 | 113.7 | T167 S168 L174 C175 | T167-N172 PolarHBondContact O-N 3.47Å; S168-N172 WeakPolarHBondContact O-CB 3.11Å; N172-L174 PolarHBondContact O-N 3.25Å; N172-C175 PolarHBondContact O-N 2.98Å |
| 173 | N | 69.6 | Low | 68.5 | Low | 142 Ų | 142 | 59.7 Ų | 59.7 | 76% | 0.759 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -66.9 | -12.4 | 178.6 | -60.6 | -6.4 | 0 | 0 | 0 | 114.5 | K171 | K171-N173 PolarHBondContact O-N 3.29Š|
| 174 | L | 73.5 | Confident | 68.3 | Low | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -88.3 | -24 | 176.6 | -81.8 | 69.9 | 0 | 0 | 0 | 112.6 | A134 K144 V147 H151 T167 K171 N172 | A134-L174 HydrophobicContact CB-CD2 4.02Å; K144-L174 HydrophobicContact CG-CD2 4.44Å; V147-L174 HydrophobicContact CG1-CD2 4.14Å; H151-L174 PolarHBondContact ND1-O 2.74Å; T167-L174 HydrophobicContact CG2-CB 4.22Å; K171-L174 HydrophobicContact CB-CD1 3.86Å; K171-L174 HydrophobicContact CD-CD1 3.91Å; K171-L174 HydrophobicContact CD-CD2 4.33Å; K171-L174 HydrophobicContact CG-CD1 3.67Å; K171-L174 WeakPolarHBondContact O-CB 3.24Å; K171-L174 PolarHBondContact O-N 3.41Å; N172-L174 PolarHBondContact O-N 3.25Å |
| 175 | C | 77.9 | Confident | 68.3 | Low | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -79.6 | 155.9 | 177.2 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | C157 S168 N172 | C157-C175 HydrophobicContact CB-CB 3.97Å; C157-C175 WeakPolarHBondContact CB-SG 3.32Å; C157-C175 VanDerWaalsContact SG-CA 3.54Å; C157-C175 WeakPolarHBondContact SG-CB 3.31Å; C157-C175 CovalentContact SG-SG 2.05Å; C157-C175 PolarHBondContact SG-SG 3.21Å; S168-C175 PolarHBondContact OG-SG 3.14Å; S168-C175 VanDerWaalsContact OG-SG 3.38Å; N172-C175 PolarHBondContact O-N 2.98Å |
| 176 | P | 72.8 | Confident | 68.4 | Low | 17 Ų | 17 | 67.2 Ų | 67.2 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -65 | 142.1 | -177.6 | 24.8 | -28.9 | 0 | 0 | 0 | 111.3 | G178 S179 | P176-G178 PolarHBondContact O-N 2.74Å; P176-S179 PolarHBondContact O-N 3.48Å; P176-S179 PolarHBondContact O-OG 3.43Å |
| 177 | S | 59.9 | Low | 68.6 | Low | 123 Ų | 123 | 67.7 Ų | 67.7 | 86% | 0.86 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 129.3 | -172.4 | -68.1 | 0 | 0 | 0 | 0 | 112 | ||
| 178 | G | 58.4 | Low | 69.1 | Low | 79 Ų | 79 | 72.4 Ų | 72.4 | 81% | 0.814 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | 5.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P176 | P176-G178 PolarHBondContact O-N 2.74Š|
| 179 | S | 58.7 | Low | 70.1 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | trans | -92.8 | 123.6 | 173.4 | 63 | 0 | 0 | 0 | 0 | 112.1 | P176 N184 | P176-S179 PolarHBondContact O-N 3.48Å; P176-S179 PolarHBondContact O-OG 3.43Å; S179-N184 WeakPolarHBondContact CB-OD1 3.48Å; S179-N184 PolarHBondContact OG-ND2 2.93Å; S179-N184 PolarHBondContact OG-OD1 3.49Å | ||
| 180 | N | 67.3 | Low | 71 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | trans | -81.5 | 155.7 | 172.1 | -53.6 | -5.2 | 0 | 0 | 0 | 108.9 | I182 S183 N184 | N180-I182 PolarHBondContact O-N 3.41Å; N180-S183 WeakPolarHBondContact CA-OG 3.44Å; N180-S183 PolarHBondContact N-OG 3.25Å; N180-S183 PolarHBondContact O-N 2.91Å; N180-S183 PolarHBondContact O-OG 3.15Å; N180-N184 PolarHBondContact O-N 3.47Å | ||
| 181 | I | 68.9 | Low | 72.1 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -49.3 | -41 | 176.7 | -58.9 | 171.2 | 0 | 0 | 0 | 111.3 | L165 V169 L185 | L165-I181 HydrophobicContact CD2-CG2 3.75Å; V169-I181 HydrophobicContact CG2-CD1 4.39Å; I181-L185 PolarHBondContact O-N 3.16Å; I181-L185 VanDerWaalsContact O-N 3.16Å |
| 182 | I | 68.1 | Low | 72.9 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 64% | 0.641 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.6 | -40.4 | -179.7 | -55.1 | 176.1 | 0 | 0 | 0 | 111.7 | N180 N184 L185 L186 | N180-I182 PolarHBondContact O-N 3.41Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 2.89Å; I182-L185 PolarHBondContact O-N 3.28Å; I182-L186 HydrophobicContact CG2-CD1 3.88Å; I182-L186 WeakPolarHBondContact O-CD1 3.29Å; I182-L186 PolarHBondContact O-N 2.89Å; I182-L186 VanDerWaalsContact O-N 3.14Å |
| 183 | S | 69.8 | Low | 74 | Confident | 51 Ų | 51 | 66 Ų | 66 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | 177.9 | 52.6 | 0 | 0 | 0 | 0 | 112 | N180 L185 L186 K187 | N180-S183 WeakPolarHBondContact CA-OG 3.44Å; N180-S183 PolarHBondContact N-OG 3.25Å; N180-S183 PolarHBondContact O-N 2.91Å; N180-S183 PolarHBondContact O-OG 3.15Å; S183-L185 VanDerWaalsContact C-N 3.33Å; S183-L186 PolarHBondContact O-N 3.45Å; S183-K187 WeakPolarHBondContact O-CB 3.29Å; S183-K187 PolarHBondContact O-N 3.05Å |
| 184 | N | 67.5 | Low | 75.1 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.6 | -31.4 | 174.9 | -74.4 | -20 | 0 | 0 | 0 | 112.4 | S168 S179 N180 I182 K187 | S168-N184 PolarHBondContact OG-ND2 2.98Å; S179-N184 WeakPolarHBondContact CB-OD1 3.48Å; S179-N184 PolarHBondContact OG-ND2 2.93Å; S179-N184 PolarHBondContact OG-OD1 3.49Å; N180-N184 PolarHBondContact O-N 3.47Å; I182-N184 VanDerWaalsContact C-N 3.33Å; I182-N184 PolarHBondContact O-N 2.89Å; N184-K187 PolarHBondContact O-N 3.46Å |
| 185 | L | 69.2 | Low | 76 | Confident | 77 Ų | 77 | 62 Ų | 62 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.8 | -33.7 | 174.3 | -169.8 | 66.1 | 0 | 0 | 0 | 112.8 | L165 I181 I182 S183 | L165-L185 HydrophobicContact CD1-CD1 3.73Å; L165-L185 HydrophobicContact CD2-CB 4.47Å; L165-L185 HydrophobicContact CD2-CD1 4.01Å; L165-L185 HydrophobicContact CD2-CD2 4.45Å; L165-L185 HydrophobicContact CG-CD1 3.76Å; I181-L185 PolarHBondContact O-N 3.16Å; I181-L185 VanDerWaalsContact O-N 3.16Å; I182-L185 PolarHBondContact O-N 3.28Å; S183-L185 VanDerWaalsContact C-N 3.33Å |
| 186 | L | 70.1 | Confident | 76.6 | Confident | 148 Ų | 148 | 64.2 Ų | 64.2 | 78% | 0.775 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -83.6 | -16.7 | 175.7 | -90.4 | 114 | 0 | 0 | 0 | 113.6 | I182 S183 | I182-L186 HydrophobicContact CG2-CD1 3.88Å; I182-L186 WeakPolarHBondContact O-CD1 3.29Å; I182-L186 PolarHBondContact O-N 2.89Å; I182-L186 VanDerWaalsContact O-N 3.14Å; S183-L186 PolarHBondContact O-N 3.45Å |
| 187 | K | 76.3 | Confident | 77.4 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -78.2 | 154.1 | 178.9 | -141.2 | 165.5 | -171.2 | 172 | 0 | 110.4 | D155 S183 N184 | D155-K187 VanDerWaalsContact CG-CE 3.5Å; D155-K187 VanDerWaalsContact O-CE 3.29Å; D155-K187 WeakPolarHBondContact O-CE 3.42Å; D155-K187 IonicContact OD1-NZ 3.51Å; D155-K187 PolarHBondContact OD1-NZ 3.04Å; D155-K187 WeakPolarHBondContact OD2-CE 3.4Å; D155-K187 IonicContact OD2-NZ 3.7Å; D155-K187 PolarHBondContact OD2-NZ 3.17Å; S183-K187 WeakPolarHBondContact O-CB 3.29Å; S183-K187 PolarHBondContact O-N 3.05Å; N184-K187 PolarHBondContact O-N 3.46Å |
| 188 | K | 80 | Confident | 78.8 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 136.8 | 170.7 | -64.5 | -167.8 | -176.8 | -178 | 0 | 109.8 | Q192 K193 E196 | K188-Q192 HydrophobicContact CB-CB 4.26Å; K188-Q192 HydrophobicContact CD-CB 4.48Å; K188-K193 HydrophobicContact CB-CG 4.37Å; K188-E196 IonicContact NZ-OE2 2.6Å; K188-E196 PolarHBondContact NZ-OE2 3.16Å |
| 189 | D | 86.5 | Confident | 80.2 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 166.1 | 173 | 59.1 | 77.3 | 0 | 0 | 0 | 111.8 | H191 Q192 K193 | D189-H191 VanDerWaalsContact C-N 3.28Å; D189-H191 PolarHBondContact O-N 3.46Å; D189-H191 WeakPolarHBondContact OD1-CA 3.29Å; D189-H191 VanDerWaalsContact OD1-CB 3.29Å; D189-H191 WeakPolarHBondContact OD1-CB 3.3Å; D189-H191 PolarHBondContact OD1-N 2.98Å; D189-Q192 PolarHBondContact O-N 3.31Å; D189-Q192 WeakPolarHBondContact OD1-CG 3.45Å; D189-Q192 PolarHBondContact OD1-N 3.25Å; D189-Q192 VanDerWaalsContact OD2-CD 3.23Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.48Å; D189-K193 PolarHBondContact O-N 3.44Å; D189-K193 VanDerWaalsContact O-N 3.14Å |
| 190 | C | 88.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -28.4 | -177.2 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | Y127 H151 C156 G158 K193 I194 | Y127-C190 HydrophobicContact CD1-CB 4.29Å; Y127-C190 HydrophobicContact CE1-CB 3.7Å; Y127-C190 HydrophobicContact CE2-CB 4.21Å; Y127-C190 PolarHBondContact OH-SG 3.1Å; Y127-C190 VanDerWaalsContact OH-SG 3.33Å; H151-C190 VanDerWaalsContact CD2-SG 3.58Å; C156-C190 HydrophobicContact CB-CB 3.98Å; C156-C190 WeakPolarHBondContact CB-SG 3.42Å; C156-C190 WeakPolarHBondContact SG-CA 3.37Å; C156-C190 WeakPolarHBondContact SG-CB 3.48Å; C156-C190 CovalentContact SG-SG 2.03Å; C156-C190 PolarHBondContact SG-SG 3.16Å; G158-C190 WeakPolarHBondContact O-CB 3.5Å; G158-C190 PolarHBondContact O-N 3.11Å; C190-K193 PolarHBondContact O-N 3.06Å; C190-I194 WeakPolarHBondContact O-CB 3.5Å; C190-I194 WeakPolarHBondContact O-CD1 3.39Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 2.72Å |
| 191 | H | 90.9 | Very high | 82.6 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 176.1 | -80.3 | -151.6 | 0 | 0 | 0 | 111.3 | K124 D128 S159 D189 K193 I194 D195 | K124-H191 HydrophobicContact CD-CB 4.18Å; K124-H191 VanDerWaalsContact CE-O 3.28Å; K124-H191 WeakPolarHBondContact CE-O 3.48Å; K124-H191 HydrophobicContact CG-CB 4.49Å; D128-H191 IonicContact OD1-CD2 3.06Å; D128-H191 IonicContact OD1-CE1 2.74Å; D128-H191 IonicContact OD1-NE2 3.98Å; D128-H191 PolarHBondContact OD1-NE2 3.36Å; D128-H191 IonicContact OD2-CE1 2.66Å; D128-H191 PolarHBondContact OD2-CE1 2.89Å; D128-H191 IonicContact OD2-NE2 2.72Å; D128-H191 PolarHBondContact OD2-NE2 2.89Å; S159-H191 PolarHBondContact O-CD2 3.1Å; D189-H191 VanDerWaalsContact C-N 3.28Å; D189-H191 PolarHBondContact O-N 3.46Å; D189-H191 WeakPolarHBondContact OD1-CA 3.29Å; D189-H191 VanDerWaalsContact OD1-CB 3.29Å; D189-H191 WeakPolarHBondContact OD1-CB 3.3Å; D189-H191 PolarHBondContact OD1-N 2.98Å; H191-K193 VanDerWaalsContact C-N 3.33Å; H191-K193 PolarHBondContact O-N 3.32Å; H191-I194 PolarHBondContact O-N 3.47Å; H191-D195 PolarHBondContact O-N 3.41Å |
| 192 | Q | 90.4 | Very high | 83.6 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 175.6 | -72.2 | -176.1 | -10.9 | 0 | 0 | 112.1 | K188 D189 D195 E196 | K188-Q192 HydrophobicContact CB-CB 4.26Å; K188-Q192 HydrophobicContact CD-CB 4.48Å; D189-Q192 PolarHBondContact O-N 3.31Å; D189-Q192 WeakPolarHBondContact OD1-CG 3.45Å; D189-Q192 PolarHBondContact OD1-N 3.25Å; D189-Q192 VanDerWaalsContact OD2-CD 3.23Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.48Å; Q192-D195 PolarHBondContact O-N 3.04Å; Q192-E196 WeakPolarHBondContact O-CB 3.23Å; Q192-E196 PolarHBondContact O-N 2.85Å |
| 193 | K | 90.4 | Very high | 84.7 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.1 | -74.5 | -69.9 | -168.7 | 171.2 | 0 | 112.4 | L154 C156 K188 D189 C190 H191 E196 L197 | L154-K193 HydrophobicContact CB-CB 4.33Å; C156-K193 HydrophobicContact CB-CG 4.11Å; K188-K193 HydrophobicContact CB-CG 4.37Å; D189-K193 PolarHBondContact O-N 3.44Å; D189-K193 VanDerWaalsContact O-N 3.14Å; C190-K193 PolarHBondContact O-N 3.06Å; H191-K193 VanDerWaalsContact C-N 3.33Å; H191-K193 PolarHBondContact O-N 3.32Å; K193-E196 PolarHBondContact O-N 3.45Å; K193-L197 WeakPolarHBondContact O-CB 3.36Å; K193-L197 PolarHBondContact O-N 2.72Å |
| 194 | I | 91.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 174.7 | -68.4 | 161.7 | 0 | 0 | 0 | 110.1 | V123 K124 L154 C190 H191 E196 L197 F198 | V123-I194 HydrophobicContact CB-CG2 4.33Å; V123-I194 HydrophobicContact CG1-CD1 4.24Å; V123-I194 HydrophobicContact CG1-CG1 4.43Å; V123-I194 HydrophobicContact CG1-CG2 4.03Å; K124-I194 HydrophobicContact CG-CB 4.17Å; K124-I194 HydrophobicContact CG-CD1 3.95Å; K124-I194 HydrophobicContact CG-CG2 3.88Å; L154-I194 HydrophobicContact CD1-CG1 3.93Å; C190-I194 WeakPolarHBondContact O-CB 3.5Å; C190-I194 WeakPolarHBondContact O-CD1 3.39Å; C190-I194 WeakPolarHBondContact O-CG1 3.31Å; C190-I194 PolarHBondContact O-N 2.72Å; H191-I194 PolarHBondContact O-N 3.47Å; I194-E196 VanDerWaalsContact C-N 3.34Å; I194-E196 PolarHBondContact O-N 3.35Å; I194-L197 WeakPolarHBondContact O-CB 3.21Å; I194-L197 PolarHBondContact O-N 2.64Å; I194-L197 VanDerWaalsContact O-N 3.13Å; I194-F198 HydrophobicContact CG2-CD2 3.86Å; I194-F198 HydrophobicContact CG2-CE2 3.95Å; I194-F198 VanDerWaalsContact O-CD2 3.31Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å; I194-F198 PolarHBondContact O-N 3.04Å |
| 195 | D | 91.6 | Very high | 86.9 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.342 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.5 | -76 | -25.7 | 0 | 0 | 0 | 112.5 | K124 H191 Q192 L197 F198 S199 | K124-D195 VanDerWaalsContact CE-CG 3.43Å; K124-D195 WeakPolarHBondContact CE-OD1 3.46Å; K124-D195 WeakPolarHBondContact CE-OD2 3.37Å; K124-D195 IonicContact NZ-OD1 2.72Å; K124-D195 PolarHBondContact NZ-OD1 2.96Å; K124-D195 IonicContact NZ-OD2 3.77Å; K124-D195 PolarHBondContact NZ-OD2 3.3Å; H191-D195 PolarHBondContact O-N 3.41Å; Q192-D195 PolarHBondContact O-N 3.04Å; D195-L197 PolarHBondContact O-N 3.38Å; D195-F198 PolarHBondContact O-N 3.36Å; D195-S199 WeakPolarHBondContact O-CB 3.42Å; D195-S199 PolarHBondContact O-N 3.4Å; D195-S199 PolarHBondContact O-OG 2.9Å |
| 196 | E | 90.8 | Very high | 88 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -35.5 | 176.9 | -166.9 | -178.3 | 139.4 | 0 | 0 | 110.9 | K188 Q192 K193 I194 G200 K201 | K188-E196 IonicContact NZ-OE2 2.6Å; K188-E196 PolarHBondContact NZ-OE2 3.16Å; Q192-E196 WeakPolarHBondContact O-CB 3.23Å; Q192-E196 PolarHBondContact O-N 2.85Å; K193-E196 PolarHBondContact O-N 3.45Å; I194-E196 VanDerWaalsContact C-N 3.34Å; I194-E196 PolarHBondContact O-N 3.35Å; E196-G200 CarbonylContact O-C 3.5Å; E196-G200 WeakPolarHBondContact O-CA 3.21Å; E196-G200 PolarHBondContact O-N 2.97Å; E196-K201 PolarHBondContact O-N 3.42Å; E196-K201 VanDerWaalsContact OE1-CE 3.3Å; E196-K201 WeakPolarHBondContact OE1-CE 3.36Å; E196-K201 IonicContact OE1-NZ 2.68Å |
| 197 | L | 89.6 | Confident | 89.2 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 176.8 | -170.9 | 137.7 | 0 | 0 | 0 | 112.3 | L154 K193 I194 D195 K201 L202 I205 | L154-L197 HydrophobicContact CD2-CD1 3.92Å; K193-L197 WeakPolarHBondContact O-CB 3.36Å; K193-L197 PolarHBondContact O-N 2.72Å; I194-L197 WeakPolarHBondContact O-CB 3.21Å; I194-L197 PolarHBondContact O-N 2.64Å; I194-L197 VanDerWaalsContact O-N 3.13Å; D195-L197 PolarHBondContact O-N 3.38Å; L197-K201 CarbonylContact O-C 3.6Å; L197-L202 PolarHBondContact O-N 3.44Å; L197-L202 VanDerWaalsContact O-N 3.1Å; L197-I205 HydrophobicContact CD2-CD1 3.61Å; L197-I205 HydrophobicContact CD2-CG1 4.25Å |
| 198 | F | 89.7 | Confident | 90 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -84.8 | -17.3 | -179.8 | -74.7 | -77.4 | 0 | 0 | 0 | 114.8 | I119 A120 V123 I194 D195 L202 I205 | I119-F198 HydrophobicContact CG2-CE1 3.72Å; I119-F198 HydrophobicContact CG2-CZ 3.86Å; A120-F198 HydrophobicContact CB-CB 3.92Å; A120-F198 HydrophobicContact CB-CD2 3.74Å; A120-F198 HydrophobicContact CB-CE2 4.5Å; A120-F198 HydrophobicContact CB-CG 3.9Å; V123-F198 HydrophobicContact CB-CE2 4.31Å; V123-F198 HydrophobicContact CG1-CE2 4.42Å; V123-F198 HydrophobicContact CG2-CE2 4.11Å; V123-F198 HydrophobicContact CG2-CZ 4.04Å; I194-F198 HydrophobicContact CG2-CD2 3.86Å; I194-F198 HydrophobicContact CG2-CE2 3.95Å; I194-F198 VanDerWaalsContact O-CD2 3.31Å; I194-F198 WeakPolarHBondContact O-CD2 3.42Å; I194-F198 PolarHBondContact O-N 3.04Å; D195-F198 PolarHBondContact O-N 3.36Å; F198-L202 WeakPolarHBondContact O-CD1 3.42Å; F198-I205 HydrophobicContact CD1-CD1 3.96Å; F198-I205 HydrophobicContact CE1-CD1 3.8Å; F198-I205 HydrophobicContact CZ-CD1 4.44Å |
| 199 | S | 88.4 | Confident | 90.7 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -107.6 | -52.7 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 113 | D195 | D195-S199 WeakPolarHBondContact O-CB 3.42Å; D195-S199 PolarHBondContact O-N 3.4Å; D195-S199 PolarHBondContact O-OG 2.9Å |
| 200 | G | 85.9 | Confident | 91.1 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -27.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E196 | E196-G200 CarbonylContact O-C 3.5Å; E196-G200 WeakPolarHBondContact O-CA 3.21Å; E196-G200 PolarHBondContact O-N 2.97Å |
| 201 | K | 90.4 | Very high | 91.5 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -120.4 | 24.6 | -175.7 | -51.7 | -171.3 | -179.6 | -174.3 | 0 | 113.7 | E196 L197 Y203 L204 | E196-K201 PolarHBondContact O-N 3.42Å; E196-K201 VanDerWaalsContact OE1-CE 3.3Å; E196-K201 WeakPolarHBondContact OE1-CE 3.36Å; E196-K201 IonicContact OE1-NZ 2.68Å; L197-K201 CarbonylContact O-C 3.6Å; K201-Y203 HydrophobicContact CB-CE1 4.27Å; K201-Y203 HydrophobicContact CG-CE1 4.5Å; K201-Y203 PolarHBondContact O-N 3.31Å; K201-L204 HydrophobicContact CB-CD1 3.95Å; K201-L204 HydrophobicContact CB-CG 4.32Å; K201-L204 HydrophobicContact CD-CD1 4.1Å; K201-L204 WeakPolarHBondContact O-CB 3.27Å; K201-L204 PolarHBondContact O-N 3.47Å |
| 202 | L | 89.4 | Confident | 91.7 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.8 | -26.8 | 176.6 | -171.9 | 143.8 | 0 | 0 | 0 | 112 | F113 K116 L197 F198 L204 I205 G206 | F113-L202 HydrophobicContact CD2-CD1 4.23Å; F113-L202 HydrophobicContact CD2-CD2 3.86Å; F113-L202 HydrophobicContact CE2-CD1 4.44Å; F113-L202 HydrophobicContact CE2-CD2 3.88Å; K116-L202 HydrophobicContact CB-CD1 4.18Å; K116-L202 HydrophobicContact CD-CD1 3.86Å; L197-L202 PolarHBondContact O-N 3.44Å; L197-L202 VanDerWaalsContact O-N 3.1Å; F198-L202 WeakPolarHBondContact O-CD1 3.42Å; L202-L204 PolarHBondContact O-N 3.44Å; L202-I205 PolarHBondContact O-N 2.69Å; L202-G206 PolarHBondContact O-N 3.08Å |
| 203 | Y | 91.4 | Very high | 92 | Very high | 142 Ų | 142 | 62 Ų | 62 | 56% | 0.557 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.1 | -29.8 | 173.5 | 82.1 | -92.2 | 0 | 0 | 0 | 113.5 | K201 G206 I207 | K201-Y203 HydrophobicContact CB-CE1 4.27Å; K201-Y203 HydrophobicContact CG-CE1 4.5Å; K201-Y203 PolarHBondContact O-N 3.31Å; Y203-G206 PolarHBondContact O-N 2.82Å; Y203-I207 HydrophobicContact CD2-CD1 3.79Å; Y203-I207 HydrophobicContact CE2-CD1 4.24Å; Y203-I207 VanDerWaalsContact O-CG1 3.27Å; Y203-I207 WeakPolarHBondContact O-CG1 3.46Å; Y203-I207 PolarHBondContact O-N 3.21Å |
| 204 | L | 91.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 177 | -68.2 | 176.3 | 0 | 0 | 0 | 111.3 | K201 L202 G206 I207 A208 | K201-L204 HydrophobicContact CB-CD1 3.95Å; K201-L204 HydrophobicContact CB-CG 4.32Å; K201-L204 HydrophobicContact CD-CD1 4.1Å; K201-L204 WeakPolarHBondContact O-CB 3.27Å; K201-L204 PolarHBondContact O-N 3.47Å; L202-L204 PolarHBondContact O-N 3.44Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-I207 PolarHBondContact O-N 2.79Å; L204-A208 PolarHBondContact O-N 2.88Å; L204-A208 VanDerWaalsContact O-N 3.11Å |
| 205 | I | 90.7 | Very high | 92.4 | Very high | 72 Ų | 72 | 66 Ų | 66 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.1 | -60.9 | 163.2 | 0 | 0 | 0 | 109.6 | L197 F198 L202 I207 A208 A209 | L197-I205 HydrophobicContact CD2-CD1 3.61Å; L197-I205 HydrophobicContact CD2-CG1 4.25Å; F198-I205 HydrophobicContact CD1-CD1 3.96Å; F198-I205 HydrophobicContact CE1-CD1 3.8Å; F198-I205 HydrophobicContact CZ-CD1 4.44Å; L202-I205 PolarHBondContact O-N 2.69Å; I205-I207 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 3.38Å; I205-A209 PolarHBondContact O-N 3.25Å |
| 206 | G | 93.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L202 Y203 L204 A209 I210 | L202-G206 PolarHBondContact O-N 3.08Å; Y203-G206 PolarHBondContact O-N 2.82Å; L204-G206 VanDerWaalsContact C-N 3.31Å; G206-A209 PolarHBondContact O-N 3.15Å; G206-I210 VanDerWaalsContact O-CG1 3.29Å; G206-I210 WeakPolarHBondContact O-CG1 3.49Å; G206-I210 PolarHBondContact O-N 3.44Å |
| 207 | I | 94.8 | Very high | 92.9 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175 | -70.9 | 166.7 | 0 | 0 | 0 | 110.5 | Y203 L204 I205 A209 I210 V211 | Y203-I207 HydrophobicContact CD2-CD1 3.79Å; Y203-I207 HydrophobicContact CE2-CD1 4.24Å; Y203-I207 VanDerWaalsContact O-CG1 3.27Å; Y203-I207 WeakPolarHBondContact O-CG1 3.46Å; Y203-I207 PolarHBondContact O-N 3.21Å; L204-I207 PolarHBondContact O-N 2.79Å; I205-I207 PolarHBondContact O-N 3.28Å; I207-A209 VanDerWaalsContact C-N 3.35Å; I207-A209 PolarHBondContact O-N 3.43Å; I207-I210 PolarHBondContact O-N 2.82Å; I207-V211 HydrophobicContact CG2-CG2 4.44Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 2.65Å |
| 208 | A | 93.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L204 I205 V211 V212 | L204-A208 PolarHBondContact O-N 2.88Å; L204-A208 VanDerWaalsContact O-N 3.11Å; I205-A208 PolarHBondContact O-N 3.38Å; A208-V211 PolarHBondContact O-N 2.91Å; A208-V212 WeakPolarHBondContact O-CG2 3.48Å; A208-V212 PolarHBondContact O-N 3.01Å; A208-V212 VanDerWaalsContact O-N 3.1Å |
| 209 | A | 94.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I205 G206 I207 V211 V212 A213 | I205-A209 PolarHBondContact O-N 3.25Å; G206-A209 PolarHBondContact O-N 3.15Å; I207-A209 VanDerWaalsContact C-N 3.35Å; I207-A209 PolarHBondContact O-N 3.43Å; A209-V211 VanDerWaalsContact C-N 3.31Å; A209-V211 PolarHBondContact O-N 2.75Å; A209-V212 PolarHBondContact O-N 2.92Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.47Å |
| 210 | I | 95.7 | Very high | 93.8 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 59% | 0.585 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 177.3 | -68.3 | 166.5 | 0 | 0 | 0 | 111.5 | G206 I207 V212 A213 V214 | G206-I210 VanDerWaalsContact O-CG1 3.29Å; G206-I210 WeakPolarHBondContact O-CG1 3.49Å; G206-I210 PolarHBondContact O-N 3.44Å; I207-I210 PolarHBondContact O-N 2.82Å; I210-V212 VanDerWaalsContact C-N 3.35Å; I210-A213 PolarHBondContact O-N 3.49Å; I210-V214 HydrophobicContact CG2-CG2 4.35Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.23Å; I210-V214 PolarHBondContact O-N 3.4Å |
| 211 | V | 96.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I207 A208 A209 V214 I215 | I207-V211 HydrophobicContact CG2-CG2 4.44Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 2.65Å; A208-V211 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact C-N 3.31Å; A209-V211 PolarHBondContact O-N 2.75Å; V211-V214 PolarHBondContact O-N 3.01Å; V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 VanDerWaalsContact O-CG1 3.29Å; V211-I215 WeakPolarHBondContact O-CG1 3.5Å; V211-I215 PolarHBondContact O-N 3.25Å |
| 212 | V | 95.2 | Very high | 94.4 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 39% | 0.394 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | E105 A208 A209 I210 V214 I215 M216 | E105-V212 WeakPolarHBondContact OE1-CG1 3.37Å; A208-V212 WeakPolarHBondContact O-CG2 3.48Å; A208-V212 PolarHBondContact O-N 3.01Å; A208-V212 VanDerWaalsContact O-N 3.1Å; A209-V212 PolarHBondContact O-N 2.92Å; I210-V212 VanDerWaalsContact C-N 3.35Å; V212-V214 PolarHBondContact O-N 3.49Å; V212-I215 WeakPolarHBondContact O-CB 3.47Å; V212-I215 PolarHBondContact O-N 3.24Å; V212-M216 HydrophobicContact CG1-CE 3.71Å; V212-M216 WeakPolarHBondContact O-CG 3.33Å; V212-M216 PolarHBondContact O-N 3.47Å |
| 213 | A | 96.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F102 E105 A209 I210 M216 I217 | F102-A213 HydrophobicContact CE2-CB 4.05Å; E105-A213 PolarHBondContact OE1-N 2.91Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.47Å; I210-A213 PolarHBondContact O-N 3.49Å; A213-M216 PolarHBondContact O-N 2.85Å; A213-I217 WeakPolarHBondContact O-CG1 2.97Å; A213-I217 PolarHBondContact O-N 3.41Å |
| 214 | V | 96.6 | Very high | 94.5 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 177.4 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | I210 V211 V212 I217 F218 | I210-V214 HydrophobicContact CG2-CG2 4.35Å; I210-V214 VanDerWaalsContact O-CG2 3.31Å; I210-V214 WeakPolarHBondContact O-CG2 3.23Å; I210-V214 PolarHBondContact O-N 3.4Å; V211-V214 PolarHBondContact O-N 3.01Å; V212-V214 PolarHBondContact O-N 3.49Å; V214-I217 PolarHBondContact O-N 3.33Å; V214-F218 WeakPolarHBondContact O-CB 3.37Å; V214-F218 PolarHBondContact O-N 2.83Å |
| 215 | I | 95.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 175.3 | -73.8 | 166.9 | 0 | 0 | 0 | 110.3 | F17 F21 V211 V212 I217 F218 E219 | F17-I215 HydrophobicContact CE1-CG2 3.47Å; F17-I215 VanDerWaalsContact CE1-CG2 3.47Å; F17-I215 HydrophobicContact CZ-CB 4.39Å; F17-I215 HydrophobicContact CZ-CD1 4.35Å; F17-I215 HydrophobicContact CZ-CG1 4.18Å; F17-I215 HydrophobicContact CZ-CG2 3.39Å; F21-I215 HydrophobicContact CZ-CG2 4.44Å; V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 VanDerWaalsContact O-CG1 3.29Å; V211-I215 WeakPolarHBondContact O-CG1 3.5Å; V211-I215 PolarHBondContact O-N 3.25Å; V212-I215 WeakPolarHBondContact O-CB 3.47Å; V212-I215 PolarHBondContact O-N 3.24Å; I215-I217 VanDerWaalsContact C-N 3.33Å; I215-I217 PolarHBondContact O-N 3.25Å; I215-F218 WeakPolarHBondContact O-CB 3.31Å; I215-F218 PolarHBondContact O-N 3.25Å; I215-F218 VanDerWaalsContact O-N 3.16Å; I215-E219 HydrophobicContact CG2-CG 4.46Å; I215-E219 WeakPolarHBondContact O-CG 3.43Å; I215-E219 PolarHBondContact O-N 3.07Å |
| 216 | M | 95.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 14% | 0.138 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 179.1 | -70.3 | -170.6 | -174.3 | 0 | 0 | 112.2 | L98 L101 F102 E105 V212 A213 F218 E219 M220 | L98-M216 HydrophobicContact CD2-CG 4.49Å; L101-M216 HydrophobicContact CB-CE 4.02Å; L101-M216 HydrophobicContact CB-SD 4.14Å; F102-M216 HydrophobicContact CB-SD 4.26Å; E105-M216 VanDerWaalsContact OE2-SD 3.4Å; V212-M216 HydrophobicContact CG1-CE 3.71Å; V212-M216 WeakPolarHBondContact O-CG 3.33Å; V212-M216 PolarHBondContact O-N 3.47Å; A213-M216 PolarHBondContact O-N 2.85Å; M216-F218 VanDerWaalsContact C-N 3.34Å; M216-F218 PolarHBondContact O-N 3.41Å; M216-E219 PolarHBondContact O-N 3Å; M216-M220 WeakPolarHBondContact O-CB 3.23Å; M216-M220 VanDerWaalsContact O-CG 3.31Å; M216-M220 WeakPolarHBondContact O-CG 2.99Å; M216-M220 PolarHBondContact O-N 3.31Å |
| 217 | I | 96.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.4 | -67.2 | 167.8 | 0 | 0 | 0 | 111 | F102 A213 V214 I215 M220 I221 | F102-I217 HydrophobicContact CD2-CG1 4.49Å; F102-I217 HydrophobicContact CE2-CD1 3.94Å; F102-I217 HydrophobicContact CE2-CG1 4.03Å; F102-I217 HydrophobicContact CZ-CD1 4.22Å; A213-I217 WeakPolarHBondContact O-CG1 2.97Å; A213-I217 PolarHBondContact O-N 3.41Å; V214-I217 PolarHBondContact O-N 3.33Å; I215-I217 VanDerWaalsContact C-N 3.33Å; I215-I217 PolarHBondContact O-N 3.25Å; I217-M220 HydrophobicContact CB-CE 4.3Å; I217-M220 HydrophobicContact CG1-CE 3.84Å; I217-M220 PolarHBondContact O-N 2.93Å; I217-I221 HydrophobicContact CG2-CD1 3.89Å; I217-I221 VanDerWaalsContact O-CG1 3.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.19Å; I217-I221 PolarHBondContact O-N 3.34Å |
| 218 | F | 95.3 | Very high | 94 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 177.5 | -174.4 | -105.9 | 0 | 0 | 0 | 111.6 | L13 V214 I215 M216 M220 I221 L222 | L13-F218 HydrophobicContact CD2-CE1 4.04Å; V214-F218 WeakPolarHBondContact O-CB 3.37Å; V214-F218 PolarHBondContact O-N 2.83Å; I215-F218 WeakPolarHBondContact O-CB 3.31Å; I215-F218 PolarHBondContact O-N 3.25Å; I215-F218 VanDerWaalsContact O-N 3.16Å; M216-F218 VanDerWaalsContact C-N 3.34Å; M216-F218 PolarHBondContact O-N 3.41Å; F218-M220 PolarHBondContact O-N 3.15Å; F218-I221 PolarHBondContact O-N 3.46Å; F218-L222 HydrophobicContact CD1-CD1 3.83Å; F218-L222 HydrophobicContact CD1-CG 4.21Å; F218-L222 HydrophobicContact CE1-CD1 3.25Å; F218-L222 HydrophobicContact CE1-CD2 4.5Å; F218-L222 HydrophobicContact CE1-CG 3.91Å; F218-L222 HydrophobicContact CE2-CD1 4.48Å; F218-L222 HydrophobicContact CE2-CD2 4.35Å; F218-L222 HydrophobicContact CE2-CG 4.38Å; F218-L222 HydrophobicContact CZ-CD1 3.63Å; F218-L222 HydrophobicContact CZ-CD2 4.09Å; F218-L222 HydrophobicContact CZ-CG 3.99Å; F218-L222 WeakPolarHBondContact O-CG 3.43Å; F218-L222 PolarHBondContact O-N 2.83Å |
| 219 | E | 94.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.5 | -68.8 | -168.9 | 126.3 | 0 | 0 | 112.8 | F17 N18 F94 L98 I215 M216 I221 L222 S223 | F17-E219 HydrophobicContact CD1-CG 4.12Å; F17-E219 WeakPolarHBondContact CD1-OE1 3.47Å; F17-E219 HydrophobicContact CE1-CG 3.88Å; F17-E219 VanDerWaalsContact CE1-OE1 3.3Å; F17-E219 WeakPolarHBondContact CE1-OE1 3.38Å; N18-E219 PolarHBondContact ND2-OE1 3.47Å; N18-E219 PolarHBondContact OD1-OE1 3.45Å; F94-E219 HydrophobicContact CE1-CB 4.39Å; F94-E219 HydrophobicContact CZ-CB 4.22Å; L98-E219 HydrophobicContact CD1-CB 3.59Å; I215-E219 HydrophobicContact CG2-CG 4.46Å; I215-E219 WeakPolarHBondContact O-CG 3.43Å; I215-E219 PolarHBondContact O-N 3.07Å; M216-E219 PolarHBondContact O-N 3Å; E219-I221 PolarHBondContact O-N 3.37Å; E219-L222 PolarHBondContact O-N 3Å; E219-S223 WeakPolarHBondContact O-CB 3.39Å; E219-S223 PolarHBondContact O-N 3.05Å |
| 220 | M | 95.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 174.2 | -78.2 | -170.5 | -70.7 | 0 | 0 | 111.7 | F95 L98 V99 F102 M216 I217 F218 M224 | F95-M220 HydrophobicContact CD2-CB 4.05Å; F95-M220 HydrophobicContact CD2-CG 4.1Å; F95-M220 HydrophobicContact CE2-CB 3.8Å; F95-M220 HydrophobicContact CE2-CG 4.02Å; F95-M220 HydrophobicContact CE2-SD 4.39Å; L98-M220 HydrophobicContact CB-CG 3.64Å; L98-M220 HydrophobicContact CB-SD 4.2Å; L98-M220 HydrophobicContact CD1-CG 3.79Å; L98-M220 HydrophobicContact CG-CG 4.41Å; V99-M220 HydrophobicContact CG2-SD 3.7Å; F102-M220 HydrophobicContact CG-CE 4.45Å; M216-M220 WeakPolarHBondContact O-CB 3.23Å; M216-M220 VanDerWaalsContact O-CG 3.31Å; M216-M220 WeakPolarHBondContact O-CG 2.99Å; M216-M220 PolarHBondContact O-N 3.31Å; I217-M220 HydrophobicContact CB-CE 4.3Å; I217-M220 HydrophobicContact CG1-CE 3.84Å; I217-M220 PolarHBondContact O-N 2.93Å; F218-M220 PolarHBondContact O-N 3.15Å; M220-M224 PolarHBondContact O-N 2.94Å; M220-M224 VanDerWaalsContact O-N 3.07Å |
| 221 | I | 95.2 | Very high | 92.9 | Very high | 94 Ų | 94 | 51.6 Ų | 51.6 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 177.9 | -66.4 | 164.9 | 0 | 0 | 0 | 110.3 | I217 F218 E219 S223 M224 V225 | I217-I221 HydrophobicContact CG2-CD1 3.89Å; I217-I221 VanDerWaalsContact O-CG1 3.29Å; I217-I221 WeakPolarHBondContact O-CG1 3.19Å; I217-I221 PolarHBondContact O-N 3.34Å; F218-I221 PolarHBondContact O-N 3.46Å; E219-I221 PolarHBondContact O-N 3.37Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 3.26Å; I221-M224 PolarHBondContact O-N 3.1Å; I221-V225 HydrophobicContact CG2-CG2 4.32Å; I221-V225 VanDerWaalsContact O-CG2 3.32Å; I221-V225 WeakPolarHBondContact O-CG2 3.46Å; I221-V225 PolarHBondContact O-N 3.3Å |
| 222 | L | 93.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | -179.7 | -67.9 | -169.3 | 0 | 0 | 0 | 112 | I10 L13 L14 F218 E219 V225 L226 | I10-L222 HydrophobicContact CG1-CD2 4.45Å; I10-L222 HydrophobicContact CG2-CB 4.22Å; I10-L222 HydrophobicContact CG2-CD2 3.99Å; L13-L222 HydrophobicContact CD2-CD1 3.84Å; L14-L222 HydrophobicContact CD1-CB 3.68Å; L14-L222 HydrophobicContact CD2-CB 4.36Å; L14-L222 HydrophobicContact CG-CB 3.82Å; L14-L222 HydrophobicContact CG-CD1 4.15Å; F218-L222 HydrophobicContact CD1-CD1 3.83Å; F218-L222 HydrophobicContact CD1-CG 4.21Å; F218-L222 HydrophobicContact CE1-CD1 3.25Å; F218-L222 HydrophobicContact CE1-CD2 4.5Å; F218-L222 HydrophobicContact CE1-CG 3.91Å; F218-L222 HydrophobicContact CE2-CD1 4.48Å; F218-L222 HydrophobicContact CE2-CD2 4.35Å; F218-L222 HydrophobicContact CE2-CG 4.38Å; F218-L222 HydrophobicContact CZ-CD1 3.63Å; F218-L222 HydrophobicContact CZ-CD2 4.09Å; F218-L222 HydrophobicContact CZ-CG 3.99Å; F218-L222 WeakPolarHBondContact O-CG 3.43Å; F218-L222 PolarHBondContact O-N 2.83Å; E219-L222 PolarHBondContact O-N 3Å; L222-V225 PolarHBondContact O-N 3.06Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 2.88Å; L222-L226 PolarHBondContact O-N 2.87Å |
| 223 | S | 92.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | L91 E219 I221 L226 C227 | L91-S223 VanDerWaalsContact CD1-OG 3.32Å; L91-S223 WeakPolarHBondContact CD1-OG 3.26Å; L91-S223 WeakPolarHBondContact CD2-O 3.21Å; L91-S223 WeakPolarHBondContact CG-OG 3.38Å; L91-S223 PolarHBondContact O-OG 3.44Å; E219-S223 WeakPolarHBondContact O-CB 3.39Å; E219-S223 PolarHBondContact O-N 3.05Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 3.26Å; S223-L226 PolarHBondContact O-N 3.36Å; S223-C227 VanDerWaalsContact O-CB 3.27Å; S223-C227 WeakPolarHBondContact O-CB 3.31Å; S223-C227 PolarHBondContact O-N 3.01Å |
| 224 | M | 92 | Very high | 89.5 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 42% | 0.424 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.7 | -80.3 | -68.1 | -170.3 | 0 | 0 | 112.9 | F95 M220 I221 L226 C227 C228 | F95-M224 HydrophobicContact CD1-CE 3.68Å; F95-M224 HydrophobicContact CD2-CE 3.88Å; F95-M224 HydrophobicContact CD2-CG 3.77Å; F95-M224 HydrophobicContact CD2-SD 4.49Å; F95-M224 HydrophobicContact CE1-CE 3.4Å; F95-M224 VanDerWaalsContact CE1-CE 3.4Å; F95-M224 HydrophobicContact CE2-CE 3.6Å; F95-M224 HydrophobicContact CE2-CG 3.57Å; F95-M224 HydrophobicContact CE2-SD 4.43Å; F95-M224 HydrophobicContact CG-CE 3.92Å; F95-M224 HydrophobicContact CZ-CE 3.37Å; F95-M224 HydrophobicContact CZ-CG 4.26Å; M220-M224 PolarHBondContact O-N 2.94Å; M220-M224 VanDerWaalsContact O-N 3.07Å; I221-M224 PolarHBondContact O-N 3.1Å; M224-L226 VanDerWaalsContact C-N 3.34Å; M224-L226 PolarHBondContact O-N 3.35Å; M224-C227 PolarHBondContact O-N 2.95Å; M224-C228 WeakPolarHBondContact O-CB 3.08Å; M224-C228 PolarHBondContact O-N 3Å; M224-C228 PolarHBondContact O-SG 2.89Å |
| 225 | V | 92.1 | Very high | 87.4 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I10 I221 L222 C228 G229 | I10-V225 HydrophobicContact CD1-CG1 3.71Å; I221-V225 HydrophobicContact CG2-CG2 4.32Å; I221-V225 VanDerWaalsContact O-CG2 3.32Å; I221-V225 WeakPolarHBondContact O-CG2 3.46Å; I221-V225 PolarHBondContact O-N 3.3Å; L222-V225 PolarHBondContact O-N 3.06Å; V225-C228 PolarHBondContact O-N 2.99Å; V225-G229 PolarHBondContact O-N 3.31Å |
| 226 | L | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 177.8 | -177.7 | 63 | 0 | 0 | 0 | 111.5 | T7 I10 K11 L14 A83 L91 L222 S223 M224 C228 G229 I230 | T7-L226 HydrophobicContact CG2-CD1 3.86Å; I10-L226 HydrophobicContact CG2-CB 4.42Å; K11-L226 HydrophobicContact CB-CD1 4.02Å; L14-L226 HydrophobicContact CD1-CB 4.29Å; L14-L226 HydrophobicContact CD1-CD2 3.83Å; A83-L226 HydrophobicContact CB-CD2 4.13Å; L91-L226 HydrophobicContact CD2-CB 3.93Å; L91-L226 HydrophobicContact CD2-CD2 4Å; L91-L226 HydrophobicContact CD2-CG 3.87Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 2.88Å; L222-L226 PolarHBondContact O-N 2.87Å; S223-L226 PolarHBondContact O-N 3.36Å; M224-L226 VanDerWaalsContact C-N 3.34Å; M224-L226 PolarHBondContact O-N 3.35Å; L226-C228 PolarHBondContact O-N 3.02Å; L226-G229 PolarHBondContact O-N 3.46Å; L226-I230 HydrophobicContact CD1-CD1 4.31Å; L226-I230 HydrophobicContact CD1-CG1 4.45Å; L226-I230 HydrophobicContact CG-CD1 3.98Å; L226-I230 WeakPolarHBondContact O-CD1 3.39Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.14Å; L226-I230 PolarHBondContact O-N 2.72Å |
| 227 | C | 89.1 | Confident | 84.4 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.1 | -169 | 0 | 0 | 0 | 0 | 112.2 | L91 S223 M224 I230 R231 | L91-C227 HydrophobicContact CD2-CB 3.73Å; L91-C227 HydrophobicContact CG-CB 4.33Å; S223-C227 VanDerWaalsContact O-CB 3.27Å; S223-C227 WeakPolarHBondContact O-CB 3.31Å; S223-C227 PolarHBondContact O-N 3.01Å; M224-C227 PolarHBondContact O-N 2.95Å; C227-I230 PolarHBondContact O-N 3.48Å; C227-R231 PolarHBondContact O-N 3.11Å |
| 228 | C | 88.8 | Confident | 83.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 173.9 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | M224 V225 L226 R231 N232 | M224-C228 WeakPolarHBondContact O-CB 3.08Å; M224-C228 PolarHBondContact O-N 3Å; M224-C228 PolarHBondContact O-SG 2.89Å; V225-C228 PolarHBondContact O-N 2.99Å; L226-C228 PolarHBondContact O-N 3.02Å; C228-R231 PolarHBondContact O-N 3.12Å; C228-N232 PolarHBondContact O-N 3.38Å |
| 229 | G | 86.9 | Confident | 83.1 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V225 L226 N232 S233 | V225-G229 PolarHBondContact O-N 3.31Å; L226-G229 PolarHBondContact O-N 3.46Å; G229-N232 PolarHBondContact O-N 3.46Å; G229-S233 PolarHBondContact O-N 3.23Å; G229-S233 PolarHBondContact O-OG 3.42Å |
| 230 | I | 86.1 | Confident | 82.4 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.4 | -67.4 | 160.9 | 0 | 0 | 0 | 110.9 | V3 E86 Q88 L91 L226 C227 N232 S233 S234 | V3-I230 HydrophobicContact CG1-CG1 4.34Å; E86-I230 HydrophobicContact CB-CD1 3.88Å; E86-I230 HydrophobicContact CB-CG1 4.05Å; E86-I230 HydrophobicContact CB-CG2 4.43Å; E86-I230 HydrophobicContact CG-CD1 4.34Å; E86-I230 HydrophobicContact CG-CG1 4.4Å; E86-I230 WeakPolarHBondContact O-CG2 3.47Å; Q88-I230 HydrophobicContact CG-CG2 3.89Å; L91-I230 HydrophobicContact CD2-CD1 4.25Å; L226-I230 HydrophobicContact CD1-CD1 4.31Å; L226-I230 HydrophobicContact CD1-CG1 4.45Å; L226-I230 HydrophobicContact CG-CD1 3.98Å; L226-I230 WeakPolarHBondContact O-CD1 3.39Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.14Å; L226-I230 PolarHBondContact O-N 2.72Å; C227-I230 PolarHBondContact O-N 3.48Å; I230-N232 VanDerWaalsContact C-N 3.28Å; I230-N232 PolarHBondContact O-N 3.16Å; I230-S233 WeakPolarHBondContact CA-OG 3.49Å; I230-S233 PolarHBondContact O-N 3.26Å; I230-S233 PolarHBondContact O-OG 3.19Å; I230-S234 PolarHBondContact O-N 3.48Å; I230-S234 VanDerWaalsContact O-N 3.15Å |
| 231 | R | 85.7 | Confident | 81.6 | Confident | 157 Ų | 157 | 69.7 Ų | 69.7 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.1 | -40.1 | 178.9 | -165.7 | 166.3 | 57.7 | -178.5 | -3.8 | 112.4 | C227 C228 S234 | C227-R231 PolarHBondContact O-N 3.11Å; C228-R231 PolarHBondContact O-N 3.12Å; R231-S234 PolarHBondContact O-OG 3.3Å; R231-S234 VanDerWaalsContact O-OG 3.06Å |
| 232 | N | 82.8 | Confident | 80.7 | Confident | 119 Ų | 119 | 68.1 Ų | 68.1 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.4 | -29.7 | -178.2 | -161.4 | 64.3 | 0 | 0 | 0 | 111.9 | C228 G229 I230 | C228-N232 PolarHBondContact O-N 3.38Å; G229-N232 PolarHBondContact O-N 3.46Å; I230-N232 VanDerWaalsContact C-N 3.28Å; I230-N232 PolarHBondContact O-N 3.16Å |
| 233 | S | 73.9 | Confident | 79.8 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.4 | -17.3 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | G229 I230 V235 | G229-S233 PolarHBondContact O-N 3.23Å; G229-S233 PolarHBondContact O-OG 3.42Å; I230-S233 WeakPolarHBondContact CA-OG 3.49Å; I230-S233 PolarHBondContact O-N 3.26Å; I230-S233 PolarHBondContact O-OG 3.19Å; S233-V235 VanDerWaalsContact C-N 3.31Å |
| 234 | S | 60.3 | Low | 78.8 | Confident | 75 Ų | 75 | 77 Ų | 77 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.2 | 179.3 | 68 | 0 | 0 | 0 | 0 | 114.2 | I230 R231 | I230-S234 PolarHBondContact O-N 3.48Å; I230-S234 VanDerWaalsContact O-N 3.15Å; R231-S234 PolarHBondContact O-OG 3.3Å; R231-S234 VanDerWaalsContact O-OG 3.06Å |
| 235 | V | 53.8 | Low | 77.7 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -4.5 | -174.2 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | S233 | S233-V235 VanDerWaalsContact C-N 3.31Š|
| 236 | Y | 42 | Very low | 76.3 | Confident | 232 Ų | 232 | 77.5 Ų | 77.5 | 91% | 0.91 | 41% | 0.405 | S | S | * | . | trans | -116.4 | 0 | 169.7 | -73.6 | -82.1 | 0 | 0 | 0 | 110.2 | M1 | M1-Y236 WeakPolarHBondContact CE-OXT 3.25Š|
Retrieved 236 of 236 residues in 46.4 ms
(Link to these results)