| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 78.5 | Confident | 239 Ų | 239 | 67.5 Ų | 67.5 | 100% | 1.177 | 35% | 0.352 | S | S | * | . | 0 | 122.9 | 0 | -176 | 175.2 | -87.9 | 0 | 0 | 106.8 | D3 | M1-D3 PolarHBondContact O-N 2.89Š| |||
| 2 | F | 65.3 | Low | 80.1 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | trans | -70.7 | 121 | -175.6 | -172.1 | -113.2 | 0 | 0 | 0 | 110.2 | L4 W8 L36 N180 I182 | F2-L4 HydrophobicContact CD1-CD2 3.64Å; F2-L4 HydrophobicContact CD1-CG 4.01Å; F2-L4 HydrophobicContact CE1-CD2 3.42Å; F2-L4 VanDerWaalsContact CE1-CD2 3.42Å; F2-L4 HydrophobicContact CE1-CG 4.28Å; F2-L4 PolarHBondContact O-N 3.39Å; F2-W8 HydrophobicContact CE1-CB 4.01Å; F2-W8 HydrophobicContact CE1-CD2 4.13Å; F2-W8 AromaticContact CE1-CG 3.87Å; F2-W8 HydrophobicContact CE1-CG 3.87Å; F2-W8 HydrophobicContact CE2-CB 3.78Å; F2-W8 HydrophobicContact CE2-CG 4.39Å; F2-W8 HydrophobicContact CZ-CB 3.22Å; F2-W8 AromaticContact CZ-CD1 3.7Å; F2-W8 HydrophobicContact CZ-CD2 4.13Å; F2-W8 AromaticContact CZ-CG 3.38Å; F2-W8 HydrophobicContact CZ-CG 3.38Å; F2-L36 HydrophobicContact CE1-CD2 3.99Å; F2-N180 WeakPolarHBondContact CD2-OD1 3.41Å; F2-N180 WeakPolarHBondContact CE2-OD1 3.5Å; F2-I182 HydrophobicContact CD2-CG1 4.15Å; F2-I182 HydrophobicContact CE1-CD1 3.98Å; F2-I182 HydrophobicContact CE1-CG1 4.47Å; F2-I182 HydrophobicContact CE2-CD1 3.79Å; F2-I182 HydrophobicContact CE2-CG1 3.35Å; F2-I182 HydrophobicContact CZ-CD1 3.41Å; F2-I182 VanDerWaalsContact CZ-CD1 3.41Å; F2-I182 HydrophobicContact CZ-CG1 3.52Å | ||
| 3 | D | 70.1 | Confident | 81.4 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | trans | -91.4 | 97.5 | -176.4 | -173.5 | 1.1 | 0 | 0 | 0 | 110.8 | M1 K5 A6 N180 | M1-D3 PolarHBondContact O-N 2.89Å; D3-K5 PolarHBondContact O-N 2.96Å; D3-K5 WeakPolarHBondContact OD1-CA 3.23Å; D3-K5 VanDerWaalsContact OD1-CB 3.31Å; D3-K5 WeakPolarHBondContact OD1-CB 3.27Å; D3-K5 PolarHBondContact OD1-N 3.04Å; D3-A6 HydrophobicContact CB-CB 4.28Å; D3-A6 PolarHBondContact OD1-N 2.86Å; D3-A6 WeakPolarHBondContact OD2-CB 3.13Å; D3-N180 PolarHBondContact N-OD1 3Å; D3-N180 PolarHBondContact O-ND2 2.71Å | ||
| 4 | L | 72.8 | Confident | 82.3 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67 | -13.1 | 176 | -67.2 | 170.2 | 0 | 0 | 0 | 113.1 | F2 W8 Y35 L36 L254 | F2-L4 HydrophobicContact CD1-CD2 3.64Å; F2-L4 HydrophobicContact CD1-CG 4.01Å; F2-L4 HydrophobicContact CE1-CD2 3.42Å; F2-L4 VanDerWaalsContact CE1-CD2 3.42Å; F2-L4 HydrophobicContact CE1-CG 4.28Å; F2-L4 PolarHBondContact O-N 3.39Å; L4-W8 HydrophobicContact CB-CE3 4.42Å; L4-W8 HydrophobicContact CB-CZ3 4.08Å; L4-W8 HydrophobicContact CD2-CD2 4.08Å; L4-W8 HydrophobicContact CD2-CE3 3.69Å; L4-W8 HydrophobicContact CD2-CH2 3.89Å; L4-W8 HydrophobicContact CD2-CZ2 4.25Å; L4-W8 HydrophobicContact CD2-CZ3 3.59Å; L4-W8 HydrophobicContact CG-CZ3 4.47Å; L4-W8 VanDerWaalsContact O-CZ3 3.29Å; L4-W8 WeakPolarHBondContact O-CZ3 3.38Å; L4-Y35 HydrophobicContact CD1-CE2 4.5Å; L4-Y35 HydrophobicContact CD2-CE2 4.38Å; L4-L36 HydrophobicContact CD2-CD2 3.98Å; L4-L254 HydrophobicContact CD1-CD2 4.37Å |
| 5 | K | 72 | Confident | 83 | Confident | 202 Ų | 202 | 50.3 Ų | 50.3 | 88% | 0.878 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -89.2 | -28.2 | -178.1 | -60.7 | -176.8 | 178.6 | -179.8 | 0 | 113.2 | D3 G7 | D3-K5 PolarHBondContact O-N 2.96Å; D3-K5 WeakPolarHBondContact OD1-CA 3.23Å; D3-K5 VanDerWaalsContact OD1-CB 3.31Å; D3-K5 WeakPolarHBondContact OD1-CB 3.27Å; D3-K5 PolarHBondContact OD1-N 3.04Å; K5-G7 VanDerWaalsContact C-N 3.25Å; K5-G7 PolarHBondContact O-N 3.49Å |
| 6 | A | 74.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82.9 | 2.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D3 | D3-A6 HydrophobicContact CB-CB 4.28Å; D3-A6 PolarHBondContact OD1-N 2.86Å; D3-A6 WeakPolarHBondContact OD2-CB 3.13Å |
| 7 | G | 82.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | trans | 75 | 151.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K5 N180 | K5-G7 VanDerWaalsContact C-N 3.25Å; K5-G7 PolarHBondContact O-N 3.49Å; G7-N180 PolarHBondContact O-ND2 3.29Å | ||
| 8 | W | 91.5 | Very high | 84.4 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | trans | -138.7 | 165.7 | -179.1 | 65 | 91 | 0 | 0 | 0 | 112.4 | F2 L4 Y35 L36 G39 A40 T41 N180 | F2-W8 HydrophobicContact CE1-CB 4.01Å; F2-W8 HydrophobicContact CE1-CD2 4.13Å; F2-W8 AromaticContact CE1-CG 3.87Å; F2-W8 HydrophobicContact CE1-CG 3.87Å; F2-W8 HydrophobicContact CE2-CB 3.78Å; F2-W8 HydrophobicContact CE2-CG 4.39Å; F2-W8 HydrophobicContact CZ-CB 3.22Å; F2-W8 AromaticContact CZ-CD1 3.7Å; F2-W8 HydrophobicContact CZ-CD2 4.13Å; F2-W8 AromaticContact CZ-CG 3.38Å; F2-W8 HydrophobicContact CZ-CG 3.38Å; L4-W8 HydrophobicContact CB-CE3 4.42Å; L4-W8 HydrophobicContact CB-CZ3 4.08Å; L4-W8 HydrophobicContact CD2-CD2 4.08Å; L4-W8 HydrophobicContact CD2-CE3 3.69Å; L4-W8 HydrophobicContact CD2-CH2 3.89Å; L4-W8 HydrophobicContact CD2-CZ2 4.25Å; L4-W8 HydrophobicContact CD2-CZ3 3.59Å; L4-W8 HydrophobicContact CG-CZ3 4.47Å; L4-W8 VanDerWaalsContact O-CZ3 3.29Å; L4-W8 WeakPolarHBondContact O-CZ3 3.38Å; W8-Y35 WeakPolarHBondContact CZ2-O 3.17Å; W8-L36 HydrophobicContact CZ2-CD2 4.34Å; W8-L36 PolarHBondContact NE1-O 2.91Å; W8-G39 VanDerWaalsContact CZ2-C 3.49Å; W8-A40 CarbonylContact O-C 3.52Å; W8-A40 WeakPolarHBondContact O-CA 3.32Å; W8-T41 PolarHBondContact O-N 3.49Å; W8-T41 PolarHBondContact O-OG1 3.1Å; W8-N180 VanDerWaalsContact CA-O 3.28Å; W8-N180 WeakPolarHBondContact CA-O 3.15Å | ||
| 9 | N | 93.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.8 | 175.7 | -53.5 | -56.2 | 0 | 0 | 0 | 111.1 | R42 Y44 N180 T181 I182 | N9-R42 VanDerWaalsContact CA-O 3.29Å; N9-R42 WeakPolarHBondContact CA-O 3.3Å; N9-R42 WeakPolarHBondContact CB-O 3.33Å; N9-R42 WeakPolarHBondContact OD1-CB 3.45Å; N9-R42 PolarHBondContact OD1-N 3.13Å; N9-R42 VanDerWaalsContact OD1-N 3.09Å; N9-Y44 HydrophobicContact CB-CD2 4.06Å; N9-Y44 HydrophobicContact CB-CE2 3.73Å; N9-N180 PolarHBondContact N-O 2.88Å; N9-T181 HydrophobicContact CB-CG2 3.98Å; N9-T181 PolarHBondContact ND2-OG1 3.28Å; N9-T181 WeakPolarHBondContact O-CA 3.4Å; N9-I182 PolarHBondContact O-N 2.86Å |
| 10 | L | 95.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.5 | 165.9 | -55.1 | 179.9 | 0 | 0 | 0 | 108.7 | F12 L29 V37 A40 R42 L43 Y44 I182 I184 | L10-F12 HydrophobicContact CB-CE2 3.89Å; L10-F12 HydrophobicContact CD1-CE2 4.46Å; L10-L29 HydrophobicContact CD1-CD1 4.28Å; L10-V37 HydrophobicContact CD1-CG2 4.21Å; L10-A40 HydrophobicContact CG-CB 4.2Å; L10-R42 PolarHBondContact N-O 3.42Å; L10-R42 VanDerWaalsContact N-O 3.08Å; L10-L43 HydrophobicContact CB-CD2 3.73Å; L10-L43 HydrophobicContact CD1-CD2 3.7Å; L10-L43 HydrophobicContact CG-CD2 3.86Å; L10-L43 CarbonylContact O-C 3.59Å; L10-L43 WeakPolarHBondContact O-CA 3.45Å; L10-Y44 PolarHBondContact O-N 3.42Å; L10-I182 WeakPolarHBondContact CA-O 3.36Å; L10-I182 HydrophobicContact CD2-CB 3.71Å; L10-I182 HydrophobicContact CD2-CD1 3.76Å; L10-I182 HydrophobicContact CD2-CG1 4.09Å; L10-I182 HydrophobicContact CD2-CG2 4.38Å; L10-I184 HydrophobicContact CB-CD1 4.27Å |
| 11 | S | 96.7 | Very high | 86 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | L173 P174 I182 I184 | S11-L173 WeakPolarHBondContact OG-CD1 3.22Å; S11-P174 VanDerWaalsContact CB-O 3.25Å; S11-P174 WeakPolarHBondContact CB-O 3.22Å; S11-P174 PolarHBondContact OG-O 3.35Å; S11-I182 PolarHBondContact N-O 3.28Å; S11-I184 VanDerWaalsContact O-CD1 3.28Å; S11-I184 WeakPolarHBondContact O-CD1 3.3Å; S11-I184 PolarHBondContact O-N 3.42Å |
| 12 | F | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.3 | -177.6 | -64.7 | -95.3 | 0 | 0 | 0 | 111 | L10 H22 V25 Y44 G45 A46 T52 A53 L56 I184 | L10-F12 HydrophobicContact CB-CE2 3.89Å; L10-F12 HydrophobicContact CD1-CE2 4.46Å; F12-H22 HydrophobicContact CD1-CB 4.18Å; F12-H22 AromaticContact CD1-ND1 3.76Å; F12-V25 HydrophobicContact CE1-CG1 4.45Å; F12-Y44 PolarHBondContact N-O 2.79Å; F12-G45 VanDerWaalsContact O-CA 3.26Å; F12-G45 WeakPolarHBondContact O-CA 3.3Å; F12-A46 PolarHBondContact O-N 3.49Å; F12-T52 HydrophobicContact CD1-CG2 4.41Å; F12-T52 HydrophobicContact CE1-CG2 4.26Å; F12-A53 HydrophobicContact CD2-CB 4.05Å; F12-L56 HydrophobicContact CE2-CD1 3.93Å; F12-L56 HydrophobicContact CZ-CD1 3.59Å; F12-I184 HydrophobicContact CD1-CB 3.97Å; F12-I184 HydrophobicContact CD1-CD1 4.26Å; F12-I184 HydrophobicContact CD1-CG1 4.31Å; F12-I184 HydrophobicContact CD1-CG2 4.05Å; F12-I184 HydrophobicContact CD2-CD1 4.45Å; F12-I184 HydrophobicContact CE1-CB 4.28Å; F12-I184 HydrophobicContact CE1-CD1 4.08Å; F12-I184 HydrophobicContact CE1-CG1 4.16Å; F12-I184 HydrophobicContact CE1-CG2 4.28Å; F12-I184 HydrophobicContact CE2-CD1 4.27Å; F12-I184 HydrophobicContact CG-CD1 4.45Å; F12-I184 HydrophobicContact CZ-CD1 4.08Å |
| 13 | A | 96.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -64.4 | 149.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H22 N172 L173 I184 | A13-H22 PolarHBondContact O-NE2 2.87Å; A13-N172 CarbonylContact C-O 3.59Å; A13-N172 WeakPolarHBondContact CA-O 3.26Å; A13-L173 HydrophobicContact CB-CD1 4.04Å; A13-I184 WeakPolarHBondContact CB-O 3.39Å; A13-I184 PolarHBondContact N-O 3.18Å | ||
| 14 | G | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | trans | -71.1 | 140.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A46 N172 | G14-A46 WeakPolarHBondContact CA-O 2.72Å; G14-A46 PolarHBondContact N-O 3.43Å; G14-N172 WeakPolarHBondContact CA-OD1 3.35Å; G14-N172 PolarHBondContact N-ND2 3.46Å; G14-N172 PolarHBondContact N-O 3.35Å; G14-N172 VanDerWaalsContact N-O 3.09Å; G14-N172 PolarHBondContact N-OD1 2.93Å; G14-N172 PolarHBondContact O-ND2 2.88Å; G14-N172 VanDerWaalsContact O-ND2 3.14Å; G14-N172 PolarHBondContact O-OD1 3.22Å | ||
| 15 | C | 92.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | trans | -163.1 | 15.5 | -172.2 | 66.4 | 0 | 0 | 0 | 0 | 116.3 | F17 L18 G19 H22 P186 F187 A225 | C15-F17 PolarHBondContact O-N 2.69Å; C15-L18 HydrophobicContact CB-CB 3.9Å; C15-L18 WeakPolarHBondContact O-CB 3.49Å; C15-L18 PolarHBondContact O-N 3.36Å; C15-L18 VanDerWaalsContact O-N 3.08Å; C15-G19 PolarHBondContact SG-N 3.47Å; C15-G19 VanDerWaalsContact SG-N 3.37Å; C15-H22 VanDerWaalsContact SG-CD2 3.52Å; C15-H22 PolarHBondContact SG-NE2 2.66Å; C15-P186 HydrophobicContact CB-CG 3.31Å; C15-F187 HydrophobicContact CB-CE2 4.04Å; C15-F187 HydrophobicContact CB-CZ 4.38Å; C15-A225 WeakPolarHBondContact O-CA 3.38Å; C15-A225 WeakPolarHBondContact O-CB 3.46Å | ||
| 16 | G | 91.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 8.5 Ų | 8.5 | 28% | 0.278 | 7% | 0.065 | S | C | . | . | G | 310 helix | trans | 52.6 | -129.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L18 G19 A48 | G16-L18 PolarHBondContact O-N 3.04Å; G16-L18 VanDerWaalsContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 3.29Å; G16-A48 WeakPolarHBondContact O-CB 3.41Å |
| 17 | F | 90.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 5.5 Ų | 5.5 | 6% | 0.061 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -65.6 | -11.7 | -179.2 | -75.2 | -75.5 | 0 | 0 | 0 | 115 | C15 G19 V72 A73 A76 F88 Y151 R224 A225 P228 | C15-F17 PolarHBondContact O-N 2.69Å; F17-G19 PolarHBondContact O-N 3.04Å; F17-V72 HydrophobicContact CE1-CB 4.17Å; F17-V72 HydrophobicContact CE1-CG1 3.61Å; F17-V72 HydrophobicContact CZ-CG1 3.85Å; F17-A73 HydrophobicContact CD1-CB 4.09Å; F17-A73 HydrophobicContact CE1-CB 4.09Å; F17-A76 HydrophobicContact CE1-CB 4.42Å; F17-A76 HydrophobicContact CE2-CB 4.45Å; F17-A76 HydrophobicContact CZ-CB 3.78Å; F17-F88 HydrophobicContact CZ-CZ 4.41Å; F17-Y151 WeakPolarHBondContact CE2-OH 3.44Å; F17-R224 WeakPolarHBondContact CB-O 3.28Å; F17-A225 PolarHBondContact N-O 2.95Å; F17-P228 HydrophobicContact CB-CB 4.14Å; F17-P228 HydrophobicContact CD1-CB 3.7Å; F17-P228 HydrophobicContact CD1-CG 4.02Å; F17-P228 HydrophobicContact CD2-CB 4.06Å; F17-P228 HydrophobicContact CD2-CG 3.87Å; F17-P228 HydrophobicContact CE1-CB 4.06Å; F17-P228 HydrophobicContact CE1-CG 3.91Å; F17-P228 HydrophobicContact CE2-CB 4.39Å; F17-P228 HydrophobicContact CE2-CG 3.76Å; F17-P228 HydrophobicContact CG-CB 3.69Å; F17-P228 HydrophobicContact CG-CG 3.99Å; F17-P228 HydrophobicContact CZ-CB 4.39Å; F17-P228 HydrophobicContact CZ-CG 3.78Å |
| 18 | L | 92.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 4.5 Ų | 4.5 | 2% | 0.016 | 3% | 0.03 | C | C | . | . | G | 310 helix | trans | -72.8 | 1.7 | 167.6 | -65.5 | 179.2 | 0 | 0 | 0 | 113 | C15 G16 I20 Y21 P186 F187 R221 R224 A225 M237 | C15-L18 HydrophobicContact CB-CB 3.9Å; C15-L18 WeakPolarHBondContact O-CB 3.49Å; C15-L18 PolarHBondContact O-N 3.36Å; C15-L18 VanDerWaalsContact O-N 3.08Å; G16-L18 PolarHBondContact O-N 3.04Å; G16-L18 VanDerWaalsContact O-N 3.11Å; L18-I20 PolarHBondContact O-N 3.22Å; L18-Y21 WeakPolarHBondContact O-CB 3.22Å; L18-Y21 PolarHBondContact O-N 3.46Å; L18-P186 HydrophobicContact CB-CB 4.16Å; L18-P186 HydrophobicContact CB-CG 4.13Å; L18-P186 HydrophobicContact CD1-CB 4.13Å; L18-P186 HydrophobicContact CD1-CG 4.15Å; L18-F187 HydrophobicContact CD1-CE1 3.94Å; L18-F187 HydrophobicContact CD1-CZ 4.03Å; L18-R221 HydrophobicContact CD1-CB 3.78Å; L18-R221 WeakPolarHBondContact CD1-O 3.29Å; L18-R224 HydrophobicContact CD2-CB 4.02Å; L18-A225 HydrophobicContact CD1-CB 4.06Å; L18-A225 HydrophobicContact CG-CB 4.03Å; L18-M237 HydrophobicContact CD2-CE 3.83Å; L18-M237 HydrophobicContact CD2-SD 3.46Å; L18-M237 WeakPolarHBondContact CD2-SD 3.13Å |
| 19 | G | 93.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 3.3 Ų | 3.3 | 3% | 0.031 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -51.8 | -23.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C15 G16 F17 Y21 H22 I23 | C15-G19 PolarHBondContact SG-N 3.47Å; C15-G19 VanDerWaalsContact SG-N 3.37Å; G16-G19 PolarHBondContact O-N 3.29Å; F17-G19 PolarHBondContact O-N 3.04Å; G19-Y21 PolarHBondContact O-N 2.96Å; G19-H22 WeakPolarHBondContact O-CB 2.99Å; G19-H22 PolarHBondContact O-N 3.49Å; G19-H22 VanDerWaalsContact O-N 3.08Å; G19-I23 PolarHBondContact O-N 2.5Å; G19-I23 VanDerWaalsContact O-N 3.08Å |
| 20 | I | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.5 | -29.3 | 172 | -153.2 | 66.8 | 0 | 0 | 0 | 113.6 | L18 I23 G24 V69 L234 M237 C238 F323 | L18-I20 PolarHBondContact O-N 3.22Å; I20-I23 HydrophobicContact CD1-CD1 3.99Å; I20-I23 WeakPolarHBondContact O-CB 3.5Å; I20-I23 PolarHBondContact O-N 2.79Å; I20-G24 PolarHBondContact O-N 3.49Å; I20-V69 HydrophobicContact CB-CG1 4.23Å; I20-V69 HydrophobicContact CD1-CB 4.29Å; I20-V69 HydrophobicContact CD1-CG1 3.99Å; I20-L234 HydrophobicContact CB-CD2 4.45Å; I20-L234 HydrophobicContact CG1-CB 4.34Å; I20-L234 HydrophobicContact CG2-CB 4.44Å; I20-L234 HydrophobicContact CG2-CD2 3.93Å; I20-M237 HydrophobicContact CG2-CB 3.82Å; I20-C238 HydrophobicContact CG1-CB 3.99Å; I20-C238 WeakPolarHBondContact O-CA 3.36Å; I20-F323 HydrophobicContact CD1-CE1 4.24Å; I20-F323 HydrophobicContact CD1-CZ 3.76Å; I20-F323 HydrophobicContact CG1-CE1 4.27Å; I20-F323 HydrophobicContact CG1-CZ 3.78Å |
| 21 | Y | 97.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 3% | 0.027 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 172.1 | 178 | -88.1 | 0 | 0 | 0 | 110.7 | L18 G19 I23 G24 V25 I184 P186 C194 P195 G241 D244 | L18-Y21 WeakPolarHBondContact O-CB 3.22Å; L18-Y21 PolarHBondContact O-N 3.46Å; G19-Y21 PolarHBondContact O-N 2.96Å; Y21-I23 VanDerWaalsContact C-N 3.26Å; Y21-I23 PolarHBondContact O-N 3.49Å; Y21-G24 WeakPolarHBondContact O-CA 3.32Å; Y21-G24 PolarHBondContact O-N 3.09Å; Y21-V25 HydrophobicContact CD1-CG2 3.96Å; Y21-V25 HydrophobicContact CE1-CG2 3.58Å; Y21-V25 PolarHBondContact O-N 3.39Å; Y21-I184 HydrophobicContact CE1-CG2 4.42Å; Y21-P186 HydrophobicContact CD1-CB 3.59Å; Y21-P186 HydrophobicContact CD2-CB 4.33Å; Y21-P186 HydrophobicContact CE1-CB 4.23Å; Y21-P186 HydrophobicContact CG-CB 3.66Å; Y21-C194 VanDerWaalsContact OH-CA 3.3Å; Y21-C194 WeakPolarHBondContact OH-CA 3.37Å; Y21-P195 HydrophobicContact CE2-CG 3.82Å; Y21-P195 WeakPolarHBondContact OH-CD 3.32Å; Y21-G241 VanDerWaalsContact CD2-CA 3.45Å; Y21-D244 WeakPolarHBondContact CE2-OD2 3.09Å; Y21-D244 VanDerWaalsContact OH-CB 3.24Å; Y21-D244 WeakPolarHBondContact OH-CB 3.31Å; Y21-D244 PolarHBondContact OH-OD2 2.81Å |
| 22 | H | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.5 | -67 | -42.8 | 0 | 0 | 0 | 112.1 | F12 A13 C15 G19 G24 V25 A26 T52 | F12-H22 HydrophobicContact CD1-CB 4.18Å; F12-H22 AromaticContact CD1-ND1 3.76Å; A13-H22 PolarHBondContact O-NE2 2.87Å; C15-H22 VanDerWaalsContact SG-CD2 3.52Å; C15-H22 PolarHBondContact SG-NE2 2.66Å; G19-H22 WeakPolarHBondContact O-CB 2.99Å; G19-H22 PolarHBondContact O-N 3.49Å; G19-H22 VanDerWaalsContact O-N 3.08Å; H22-G24 VanDerWaalsContact C-N 3.32Å; H22-G24 PolarHBondContact O-N 3.03Å; H22-V25 PolarHBondContact O-N 3.38Å; H22-A26 WeakPolarHBondContact O-CB 3.31Å; H22-A26 PolarHBondContact O-N 3.19Å; H22-T52 HydrophobicContact CB-CG2 3.96Å; H22-T52 WeakPolarHBondContact CB-OG1 3.26Å |
| 23 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 172.4 | -68.3 | 177.6 | 0 | 0 | 0 | 111 | G19 I20 Y21 S27 I62 C66 V69 I319 | G19-I23 PolarHBondContact O-N 2.5Å; G19-I23 VanDerWaalsContact O-N 3.08Å; I20-I23 HydrophobicContact CD1-CD1 3.99Å; I20-I23 WeakPolarHBondContact O-CB 3.5Å; I20-I23 PolarHBondContact O-N 2.79Å; Y21-I23 VanDerWaalsContact C-N 3.26Å; Y21-I23 PolarHBondContact O-N 3.49Å; I23-S27 VanDerWaalsContact O-CB 3.24Å; I23-S27 WeakPolarHBondContact O-CB 3.19Å; I23-S27 PolarHBondContact O-N 3.02Å; I23-S27 PolarHBondContact O-OG 3.17Å; I23-I62 HydrophobicContact CG1-CD1 4.24Å; I23-I62 HydrophobicContact CG2-CD1 4.31Å; I23-I62 HydrophobicContact CG2-CG1 4.17Å; I23-C66 HydrophobicContact CD1-CB 4.14Å; I23-C66 HydrophobicContact CG2-CB 3.96Å; I23-V69 HydrophobicContact CD1-CB 4.35Å; I23-V69 HydrophobicContact CD1-CG2 3.87Å; I23-I319 HydrophobicContact CG2-CD1 4.35Å |
| 24 | G | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I20 Y21 H22 S27 C28 C238 Y242 | I20-G24 PolarHBondContact O-N 3.49Å; Y21-G24 WeakPolarHBondContact O-CA 3.32Å; Y21-G24 PolarHBondContact O-N 3.09Å; H22-G24 VanDerWaalsContact C-N 3.32Å; H22-G24 PolarHBondContact O-N 3.03Å; G24-S27 PolarHBondContact O-N 3.48Å; G24-C28 PolarHBondContact O-N 2.85Å; G24-C238 VanDerWaalsContact CA-O 3.31Å; G24-C238 WeakPolarHBondContact CA-O 3.47Å; G24-Y242 WeakPolarHBondContact O-CA 3.45Å |
| 25 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.6 | -52.7 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F12 Y21 H22 S27 C28 L29 I184 I193 G241 A245 | F12-V25 HydrophobicContact CE1-CG1 4.45Å; Y21-V25 HydrophobicContact CD1-CG2 3.96Å; Y21-V25 HydrophobicContact CE1-CG2 3.58Å; Y21-V25 PolarHBondContact O-N 3.39Å; H22-V25 PolarHBondContact O-N 3.38Å; V25-S27 VanDerWaalsContact C-N 3.28Å; V25-S27 PolarHBondContact O-N 2.76Å; V25-C28 WeakPolarHBondContact O-CB 3.45Å; V25-C28 PolarHBondContact O-N 3.21Å; V25-C28 VanDerWaalsContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 4Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CG 3.46Å; V25-L29 PolarHBondContact O-N 2.86Å; V25-I184 HydrophobicContact CB-CG2 4.18Å; V25-I184 HydrophobicContact CG1-CG1 4.13Å; V25-I184 HydrophobicContact CG1-CG2 3.83Å; V25-I184 HydrophobicContact CG2-CG2 3.92Å; V25-I193 HydrophobicContact CG1-CD1 4.06Å; V25-I193 HydrophobicContact CG1-CG2 4.11Å; V25-I193 HydrophobicContact CG2-CG2 3.8Å; V25-G241 VanDerWaalsContact CG2-O 3.3Å; V25-G241 WeakPolarHBondContact CG2-O 3.34Å; V25-A245 HydrophobicContact CB-CB 4.3Å; V25-A245 HydrophobicContact CG1-CB 3.98Å; V25-A245 HydrophobicContact CG2-CB 4.35Å |
| 26 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H22 C28 L29 L30 T52 L56 I62 | H22-A26 WeakPolarHBondContact O-CB 3.31Å; H22-A26 PolarHBondContact O-N 3.19Å; A26-C28 PolarHBondContact O-N 3.19Å; A26-L29 PolarHBondContact O-N 3.29Å; A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 VanDerWaalsContact O-CG 3.26Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 2.81Å; A26-T52 HydrophobicContact CB-CG2 3.84Å; A26-L56 HydrophobicContact CB-CD1 4.13Å; A26-L56 HydrophobicContact CB-CD2 4.1Å; A26-L56 HydrophobicContact CB-CG 4.41Å; A26-I62 HydrophobicContact CB-CD1 4.05Å |
| 27 | S | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | I23 G24 V25 E31 | I23-S27 VanDerWaalsContact O-CB 3.24Å; I23-S27 WeakPolarHBondContact O-CB 3.19Å; I23-S27 PolarHBondContact O-N 3.02Å; I23-S27 PolarHBondContact O-OG 3.17Å; G24-S27 PolarHBondContact O-N 3.48Å; V25-S27 VanDerWaalsContact C-N 3.28Å; V25-S27 PolarHBondContact O-N 2.76Å; S27-E31 WeakPolarHBondContact O-CB 3.2Å; S27-E31 PolarHBondContact O-N 2.87Å |
| 28 | C | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 176 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | G24 V25 A26 L30 E31 K32 Y242 A245 L246 | G24-C28 PolarHBondContact O-N 2.85Å; V25-C28 WeakPolarHBondContact O-CB 3.45Å; V25-C28 PolarHBondContact O-N 3.21Å; V25-C28 VanDerWaalsContact O-N 3.11Å; A26-C28 PolarHBondContact O-N 3.19Å; C28-L30 PolarHBondContact O-N 3.28Å; C28-E31 PolarHBondContact O-N 2.79Å; C28-K32 WeakPolarHBondContact O-CB 3.43Å; C28-K32 PolarHBondContact O-N 3.41Å; C28-Y242 VanDerWaalsContact CA-CE2 3.47Å; C28-Y242 HydrophobicContact CB-CD1 4.26Å; C28-Y242 HydrophobicContact CB-CD2 3.54Å; C28-Y242 HydrophobicContact CB-CE1 4.35Å; C28-Y242 HydrophobicContact CB-CE2 3.7Å; C28-Y242 HydrophobicContact CB-CG 3.84Å; C28-A245 HydrophobicContact CB-CB 3.7Å; C28-L246 PolarHBondContact SG-N 2.71Å; C28-L246 VanDerWaalsContact SG-N 3.43Å |
| 29 | L | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 178.7 | -66.4 | 176.6 | 0 | 0 | 0 | 111.5 | L10 V25 A26 E31 A33 P34 L36 V37 L249 | L10-L29 HydrophobicContact CD1-CD1 4.28Å; V25-L29 HydrophobicContact CG1-CD1 4Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CG 3.46Å; V25-L29 PolarHBondContact O-N 2.86Å; A26-L29 PolarHBondContact O-N 3.29Å; L29-E31 VanDerWaalsContact C-N 3.3Å; L29-E31 PolarHBondContact O-N 2.94Å; L29-A33 CarbonylContact O-C 3.51Å; L29-A33 WeakPolarHBondContact O-CA 3.49Å; L29-A33 PolarHBondContact O-N 3.29Å; L29-P34 WeakPolarHBondContact O-CA 3.37Å; L29-L36 HydrophobicContact CD2-CD1 4.34Å; L29-V37 HydrophobicContact CB-CG2 3.77Å; L29-V37 HydrophobicContact CD1-CG2 4.43Å; L29-L249 HydrophobicContact CD2-CD1 4.33Å; L29-L249 HydrophobicContact CD2-CD2 4.03Å; L29-L249 HydrophobicContact CD2-CG 4.41Å |
| 30 | L | 95.5 | Very high | 95.2 | Very high | 69 Ų | 69 | 25.9 Ų | 25.9 | 36% | 0.361 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.3 | -33.6 | 177.2 | -72 | 172.3 | 0 | 0 | 0 | 112.8 | A26 C28 P34 V37 L56 I62 | A26-L30 WeakPolarHBondContact O-CB 3.23Å; A26-L30 VanDerWaalsContact O-CG 3.26Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 2.81Å; C28-L30 PolarHBondContact O-N 3.28Å; L30-P34 WeakPolarHBondContact O-CB 3.33Å; L30-V37 HydrophobicContact CD2-CB 4.37Å; L30-V37 HydrophobicContact CD2-CG1 4.29Å; L30-V37 HydrophobicContact CD2-CG2 4.31Å; L30-L56 HydrophobicContact CD1-CD2 3.78Å; L30-L56 HydrophobicContact CD2-CD2 4.17Å; L30-L56 HydrophobicContact CG-CD2 4.05Å; L30-I62 HydrophobicContact CD1-CB 4.47Å; L30-I62 HydrophobicContact CD1-CG2 4.32Å |
| 31 | E | 93.6 | Very high | 95 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 40% | 0.402 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -81.2 | -46.2 | -179.4 | -169.1 | -166.1 | 149.2 | 0 | 0 | 112.8 | S27 C28 L29 Y242 P316 | S27-E31 WeakPolarHBondContact O-CB 3.2Å; S27-E31 PolarHBondContact O-N 2.87Å; C28-E31 PolarHBondContact O-N 2.79Å; L29-E31 VanDerWaalsContact C-N 3.3Å; L29-E31 PolarHBondContact O-N 2.94Å; E31-Y242 PolarHBondContact OE1-OH 3.46Å; E31-Y242 WeakPolarHBondContact OE2-CE2 3.43Å; E31-Y242 PolarHBondContact OE2-OH 3.15Å; E31-P316 WeakPolarHBondContact OE2-CG 3.47Å |
| 32 | K | 93.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 31% | 0.309 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -102 | -24.1 | -167.4 | -59.4 | -53.1 | -166.2 | -158.7 | 0 | 114.5 | C28 Y242 L246 L249 L255 M256 | C28-K32 WeakPolarHBondContact O-CB 3.43Å; C28-K32 PolarHBondContact O-N 3.41Å; K32-Y242 WeakPolarHBondContact CE-OH 3.38Å; K32-L246 HydrophobicContact CG-CD1 4.13Å; K32-L249 HydrophobicContact CB-CD1 3.78Å; K32-L255 HydrophobicContact CB-CD2 3.91Å; K32-L255 HydrophobicContact CG-CD2 4.47Å; K32-M256 PolarHBondContact O-N 2.99Å; K32-M256 VanDerWaalsContact O-N 3.11Å |
| 33 | A | 93.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -149.7 | 55.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L29 Y35 L36 L249 | L29-A33 CarbonylContact O-C 3.51Å; L29-A33 WeakPolarHBondContact O-CA 3.49Å; L29-A33 PolarHBondContact O-N 3.29Å; A33-Y35 HydrophobicContact CB-CD1 4.25Å; A33-Y35 HydrophobicContact CB-CE1 3.7Å; A33-Y35 PolarHBondContact O-N 3.1Å; A33-L36 HydrophobicContact CB-CD1 3.72Å; A33-L36 HydrophobicContact CB-CG 4.06Å; A33-L36 WeakPolarHBondContact O-CB 3.33Å; A33-L36 PolarHBondContact O-N 3.03Å; A33-L249 HydrophobicContact CB-CD1 3.93Å; A33-L249 HydrophobicContact CB-CD2 3.79Å | ||
| 34 | P | 94.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 21% | 0.208 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -24.9 | -173.9 | 22.1 | -33.3 | 0 | 0 | 0 | 113.1 | L29 L30 L36 V37 K38 M256 | L29-P34 WeakPolarHBondContact O-CA 3.37Å; L30-P34 WeakPolarHBondContact O-CB 3.33Å; P34-L36 PolarHBondContact O-N 2.83Å; P34-V37 PolarHBondContact O-N 2.82Å; P34-K38 WeakPolarHBondContact O-CB 3.5Å; P34-K38 WeakPolarHBondContact O-CG 3.46Å; P34-K38 PolarHBondContact O-N 3.01Å; P34-M256 HydrophobicContact CG-SD 4.46Å |
| 35 | Y | 92.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 30% | 0.298 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -31.5 | 175.2 | 72.6 | -88.6 | 0 | 0 | 0 | 112.3 | L4 W8 A33 V37 K38 G39 L254 M256 | L4-Y35 HydrophobicContact CD1-CE2 4.5Å; L4-Y35 HydrophobicContact CD2-CE2 4.38Å; W8-Y35 WeakPolarHBondContact CZ2-O 3.17Å; A33-Y35 HydrophobicContact CB-CD1 4.25Å; A33-Y35 HydrophobicContact CB-CE1 3.7Å; A33-Y35 PolarHBondContact O-N 3.1Å; Y35-V37 VanDerWaalsContact C-N 3.34Å; Y35-V37 PolarHBondContact O-N 2.94Å; Y35-K38 PolarHBondContact O-N 2.88Å; Y35-G39 WeakPolarHBondContact O-CA 3.11Å; Y35-G39 PolarHBondContact O-N 2.89Å; Y35-L254 WeakPolarHBondContact CE1-O 3.31Å; Y35-L254 WeakPolarHBondContact OH-CA 3.3Å; Y35-L254 WeakPolarHBondContact OH-CB 3.48Å; Y35-L254 PolarHBondContact OH-O 3.15Å; Y35-M256 HydrophobicContact CD1-CG 4.3Å; Y35-M256 HydrophobicContact CE1-CG 4.4Å |
| 36 | L | 93.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 176.6 | -69.6 | 177.1 | 0 | 0 | 0 | 111.7 | F2 L4 W8 L29 A33 P34 A40 L249 L254 | F2-L36 HydrophobicContact CE1-CD2 3.99Å; L4-L36 HydrophobicContact CD2-CD2 3.98Å; W8-L36 HydrophobicContact CZ2-CD2 4.34Å; W8-L36 PolarHBondContact NE1-O 2.91Å; L29-L36 HydrophobicContact CD2-CD1 4.34Å; A33-L36 HydrophobicContact CB-CD1 3.72Å; A33-L36 HydrophobicContact CB-CG 4.06Å; A33-L36 WeakPolarHBondContact O-CB 3.33Å; A33-L36 PolarHBondContact O-N 3.03Å; P34-L36 PolarHBondContact O-N 2.83Å; L36-A40 WeakPolarHBondContact O-CB 3.24Å; L36-A40 PolarHBondContact O-N 2.89Å; L36-L249 HydrophobicContact CD1-CD2 3.46Å; L36-L249 VanDerWaalsContact CD1-CD2 3.46Å; L36-L254 HydrophobicContact CD1-CB 4.34Å; L36-L254 HydrophobicContact CD1-CD1 4.18Å |
| 37 | V | 94.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.5 | -48.1 | 176 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | L10 L29 L30 P34 Y35 A40 L56 R113 | L10-V37 HydrophobicContact CD1-CG2 4.21Å; L29-V37 HydrophobicContact CB-CG2 3.77Å; L29-V37 HydrophobicContact CD1-CG2 4.43Å; L30-V37 HydrophobicContact CD2-CB 4.37Å; L30-V37 HydrophobicContact CD2-CG1 4.29Å; L30-V37 HydrophobicContact CD2-CG2 4.31Å; P34-V37 PolarHBondContact O-N 2.82Å; Y35-V37 VanDerWaalsContact C-N 3.34Å; Y35-V37 PolarHBondContact O-N 2.94Å; V37-A40 PolarHBondContact O-N 3.11Å; V37-L56 HydrophobicContact CG1-CB 4.13Å; V37-L56 HydrophobicContact CG1-CD1 4.31Å; V37-L56 HydrophobicContact CG1-CD2 4.14Å; V37-L56 HydrophobicContact CG1-CG 4.43Å; V37-R113 PolarHBondContact O-NH2 2.82Å |
| 38 | K | 92.6 | Very high | 94.6 | Very high | 150 Ų | 150 | 33.7 Ų | 33.7 | 65% | 0.652 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -66.6 | -39.4 | -175.9 | -72.8 | -178.4 | 179.8 | -178.1 | 0 | 113.1 | P34 Y35 R113 | P34-K38 WeakPolarHBondContact O-CB 3.5Å; P34-K38 WeakPolarHBondContact O-CG 3.46Å; P34-K38 PolarHBondContact O-N 3.01Å; Y35-K38 PolarHBondContact O-N 2.88Å; K38-R113 VanDerWaalsContact C-NH2 3.29Å; K38-R113 PolarHBondContact O-NH2 3.48Å |
| 39 | G | 90.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -87.7 | -6.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | W8 Y35 T41 | W8-G39 VanDerWaalsContact CZ2-C 3.49Å; Y35-G39 WeakPolarHBondContact O-CA 3.11Å; Y35-G39 PolarHBondContact O-N 2.89Å; G39-T41 PolarHBondContact O-N 3.37Å |
| 40 | A | 92.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | trans | -61.4 | 129.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W8 L10 L36 V37 L43 | W8-A40 CarbonylContact O-C 3.52Å; W8-A40 WeakPolarHBondContact O-CA 3.32Å; L10-A40 HydrophobicContact CG-CB 4.2Å; L36-A40 WeakPolarHBondContact O-CB 3.24Å; L36-A40 PolarHBondContact O-N 2.89Å; V37-A40 PolarHBondContact O-N 3.11Å; A40-L43 HydrophobicContact CB-CD2 3.86Å | ||
| 41 | T | 92 | Very high | 94.9 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 43% | 0.429 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -64.3 | -48.7 | 178.1 | -45 | 0 | 0 | 0 | 0 | 109.9 | W8 G39 | W8-T41 PolarHBondContact O-N 3.49Å; W8-T41 PolarHBondContact O-OG1 3.1Å; G39-T41 PolarHBondContact O-N 3.37Å |
| 42 | R | 93.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 27.8 Ų | 27.8 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147 | 178.3 | -65.3 | 175.8 | -177.5 | -85.7 | 1.2 | 111.7 | N9 L10 Y44 G112 R113 | N9-R42 VanDerWaalsContact CA-O 3.29Å; N9-R42 WeakPolarHBondContact CA-O 3.3Å; N9-R42 WeakPolarHBondContact CB-O 3.33Å; N9-R42 WeakPolarHBondContact OD1-CB 3.45Å; N9-R42 PolarHBondContact OD1-N 3.13Å; N9-R42 VanDerWaalsContact OD1-N 3.09Å; L10-R42 PolarHBondContact N-O 3.42Å; L10-R42 VanDerWaalsContact N-O 3.08Å; R42-Y44 HydrophobicContact CB-CD2 4.2Å; R42-Y44 HydrophobicContact CB-CE2 3.49Å; R42-Y44 VanDerWaalsContact CB-CE2 3.49Å; R42-Y44 WeakPolarHBondContact CD-OH 3.5Å; R42-G112 PolarHBondContact NH1-O 2.93Å; R42-R113 CarbonylContact C-O 3.57Å; R42-R113 VanDerWaalsContact CA-O 3.24Å; R42-R113 WeakPolarHBondContact CA-O 3.29Å |
| 43 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.6 | 174 | -59.3 | 177.4 | 0 | 0 | 0 | 107.4 | L10 A40 A53 L56 A57 R113 L114 C115 | L10-L43 HydrophobicContact CB-CD2 3.73Å; L10-L43 HydrophobicContact CD1-CD2 3.7Å; L10-L43 HydrophobicContact CG-CD2 3.86Å; L10-L43 CarbonylContact O-C 3.59Å; L10-L43 WeakPolarHBondContact O-CA 3.45Å; A40-L43 HydrophobicContact CB-CD2 3.86Å; L43-A53 HydrophobicContact CB-CB 4.3Å; L43-L56 HydrophobicContact CD1-CB 3.84Å; L43-A57 HydrophobicContact CD1-CB 3.88Å; L43-R113 PolarHBondContact N-O 3.5Å; L43-L114 CarbonylContact O-C 3.56Å; L43-L114 WeakPolarHBondContact O-CA 3.4Å; L43-C115 PolarHBondContact O-N 2.79Å |
| 44 | Y | 97.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 149.8 | -179.9 | -61.7 | -92.7 | 0 | 0 | 0 | 110.8 | N9 L10 F12 R42 C115 L128 P174 S176 | N9-Y44 HydrophobicContact CB-CD2 4.06Å; N9-Y44 HydrophobicContact CB-CE2 3.73Å; L10-Y44 PolarHBondContact O-N 3.42Å; F12-Y44 PolarHBondContact N-O 2.79Å; R42-Y44 HydrophobicContact CB-CD2 4.2Å; R42-Y44 HydrophobicContact CB-CE2 3.49Å; R42-Y44 VanDerWaalsContact CB-CE2 3.49Å; R42-Y44 WeakPolarHBondContact CD-OH 3.5Å; Y44-C115 WeakPolarHBondContact CA-O 3.25Å; Y44-C115 HydrophobicContact CD1-CB 3.21Å; Y44-C115 HydrophobicContact CE1-CB 3.4Å; Y44-C115 VanDerWaalsContact CE1-CB 3.4Å; Y44-C115 HydrophobicContact CG-CB 3.99Å; Y44-L128 HydrophobicContact CD1-CD1 4.42Å; Y44-L128 HydrophobicContact CE1-CD1 4.21Å; Y44-P174 WeakPolarHBondContact CB-O 3.38Å; Y44-P174 HydrophobicContact CD1-CB 4.3Å; Y44-S176 WeakPolarHBondContact OH-CB 3.14Å |
| 45 | G | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 158.3 | 165 | 0 | 0 | 0 | 0 | 0 | 114.2 | F12 C115 S117 | F12-G45 VanDerWaalsContact O-CA 3.26Å; F12-G45 WeakPolarHBondContact O-CA 3.3Å; G45-C115 PolarHBondContact N-O 2.93Å; G45-S117 PolarHBondContact O-N 3.35Å |
| 46 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F12 G14 A48 G49 A50 | F12-A46 PolarHBondContact O-N 3.49Å; G14-A46 WeakPolarHBondContact CA-O 2.72Å; G14-A46 PolarHBondContact N-O 3.43Å; A46-A48 PolarHBondContact O-N 3.43Å; A46-G49 WeakPolarHBondContact O-CA 3.32Å; A46-G49 PolarHBondContact O-N 3.34Å; A46-A50 PolarHBondContact O-N 2.88Å |
| 47 | S | 96.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | 51.3 | -132.2 | 174.1 | -162 | 0 | 0 | 0 | 0 | 112.5 | G49 A50 L51 S145 C146 D166 | S47-G49 PolarHBondContact O-N 2.8Å; S47-G49 VanDerWaalsContact O-N 3.13Å; S47-A50 WeakPolarHBondContact O-CA 3.27Å; S47-A50 VanDerWaalsContact O-CB 3.28Å; S47-A50 WeakPolarHBondContact O-CB 3.17Å; S47-A50 PolarHBondContact O-N 3.46Å; S47-L51 PolarHBondContact O-N 3.49Å; S47-S145 WeakPolarHBondContact CA-O 3.31Å; S47-S145 PolarHBondContact N-O 3.01Å; S47-S145 PolarHBondContact N-OG 2.77Å; S47-C146 VanDerWaalsContact C-SG 3.54Å; S47-D166 WeakPolarHBondContact CB-OD1 3.49Å; S47-D166 WeakPolarHBondContact CB-OD2 3.48Å; S47-D166 PolarHBondContact OG-OD2 3.41Å |
| 48 | A | 95.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.2 | -27.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G16 A46 L51 T52 | G16-A48 WeakPolarHBondContact O-CB 3.41Å; A46-A48 PolarHBondContact O-N 3.43Å; A48-L51 PolarHBondContact O-N 2.9Å; A48-T52 PolarHBondContact O-N 2.94Å; A48-T52 PolarHBondContact O-OG1 3.08Å |
| 49 | G | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A46 S47 L51 T52 A53 | A46-G49 WeakPolarHBondContact O-CA 3.32Å; A46-G49 PolarHBondContact O-N 3.34Å; S47-G49 PolarHBondContact O-N 2.8Å; S47-G49 VanDerWaalsContact O-N 3.13Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 2.87Å; G49-T52 PolarHBondContact O-N 3.47Å; G49-A53 WeakPolarHBondContact O-CB 3.5Å; G49-A53 PolarHBondContact O-N 3.5Å |
| 50 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A46 S47 S54 V116 L142 | A46-A50 PolarHBondContact O-N 2.88Å; S47-A50 WeakPolarHBondContact O-CA 3.27Å; S47-A50 VanDerWaalsContact O-CB 3.28Å; S47-A50 WeakPolarHBondContact O-CB 3.17Å; S47-A50 PolarHBondContact O-N 3.46Å; A50-S54 VanDerWaalsContact O-CB 3.31Å; A50-S54 WeakPolarHBondContact O-CB 3.15Å; A50-S54 PolarHBondContact O-N 3.47Å; A50-S54 PolarHBondContact O-OG 3.2Å; A50-V116 HydrophobicContact CB-CG1 4.08Å; A50-L142 HydrophobicContact CB-CD2 3.96Å |
| 51 | L | 97.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 21.4 Ų | 21.4 | 15% | 0.152 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.4 | -58.4 | 178.4 | 0 | 0 | 0 | 111.7 | S47 A48 G49 S54 V55 L94 L98 L142 | S47-L51 PolarHBondContact O-N 3.49Å; A48-L51 PolarHBondContact O-N 2.9Å; G49-L51 VanDerWaalsContact C-N 3.3Å; G49-L51 PolarHBondContact O-N 2.87Å; L51-S54 PolarHBondContact O-N 3.28Å; L51-S54 PolarHBondContact O-OG 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.43Å; L51-V55 PolarHBondContact O-N 2.74Å; L51-V55 VanDerWaalsContact O-N 3.17Å; L51-L94 HydrophobicContact CD1-CD1 3.69Å; L51-L94 HydrophobicContact CD2-CD1 3.92Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; L51-L98 HydrophobicContact CD2-CD1 4.08Å; L51-L98 HydrophobicContact CD2-CD2 4.11Å; L51-L142 HydrophobicContact CD2-CB 4.04Å; L51-L142 HydrophobicContact CD2-CD1 4.45Å; L51-L142 HydrophobicContact CD2-CD2 4.34Å |
| 52 | T | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | F12 H22 A26 A48 G49 S54 V55 L56 | F12-T52 HydrophobicContact CD1-CG2 4.41Å; F12-T52 HydrophobicContact CE1-CG2 4.26Å; H22-T52 HydrophobicContact CB-CG2 3.96Å; H22-T52 WeakPolarHBondContact CB-OG1 3.26Å; A26-T52 HydrophobicContact CB-CG2 3.84Å; A48-T52 PolarHBondContact O-N 2.94Å; A48-T52 PolarHBondContact O-OG1 3.08Å; G49-T52 PolarHBondContact O-N 3.47Å; T52-S54 VanDerWaalsContact C-N 3.28Å; T52-S54 PolarHBondContact O-N 2.74Å; T52-V55 PolarHBondContact O-N 3.3Å; T52-L56 WeakPolarHBondContact O-CG 3.49Å; T52-L56 PolarHBondContact O-N 2.65Å |
| 53 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F12 L43 G49 L56 A57 L114 | F12-A53 HydrophobicContact CD2-CB 4.05Å; L43-A53 HydrophobicContact CB-CB 4.3Å; G49-A53 WeakPolarHBondContact O-CB 3.5Å; G49-A53 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 3.25Å; A53-A57 VanDerWaalsContact O-CB 3.29Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.97Å; A53-L114 HydrophobicContact CB-CD1 3.62Å |
| 54 | S | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.6 | -38.1 | 178.3 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | A50 L51 T52 L56 A57 S58 L142 | A50-S54 VanDerWaalsContact O-CB 3.31Å; A50-S54 WeakPolarHBondContact O-CB 3.15Å; A50-S54 PolarHBondContact O-N 3.47Å; A50-S54 PolarHBondContact O-OG 3.2Å; L51-S54 PolarHBondContact O-N 3.28Å; L51-S54 PolarHBondContact O-OG 3.28Å; T52-S54 VanDerWaalsContact C-N 3.28Å; T52-S54 PolarHBondContact O-N 2.74Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.59Å; S54-A57 PolarHBondContact O-N 3.27Å; S54-S58 VanDerWaalsContact O-CB 3.28Å; S54-S58 WeakPolarHBondContact O-CB 3.38Å; S54-S58 PolarHBondContact O-N 3.05Å; S54-S58 PolarHBondContact O-OG 3.09Å; S54-L142 WeakPolarHBondContact OG-CD1 3.45Å |
| 55 | V | 97.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 172.5 | 169 | 0 | 0 | 0 | 0 | 110.7 | L51 T52 Q59 A60 I62 C65 | L51-V55 WeakPolarHBondContact O-CG2 3.43Å; L51-V55 PolarHBondContact O-N 2.74Å; L51-V55 VanDerWaalsContact O-N 3.17Å; T52-V55 PolarHBondContact O-N 3.3Å; V55-Q59 CarbonylContact O-C 3.53Å; V55-Q59 WeakPolarHBondContact O-CA 3.31Å; V55-Q59 PolarHBondContact O-N 3.39Å; V55-A60 HydrophobicContact CB-CB 4.44Å; V55-A60 HydrophobicContact CG1-CB 4.14Å; V55-A60 WeakPolarHBondContact CG1-O 3.24Å; V55-A60 HydrophobicContact CG2-CB 4.43Å; V55-A60 PolarHBondContact O-N 2.88Å; V55-I62 HydrophobicContact CG1-CB 4.41Å; V55-I62 HydrophobicContact CG1-CD1 3.97Å; V55-C65 HydrophobicContact CG1-CB 4.4Å; V55-C65 HydrophobicContact CG2-CB 3.9Å |
| 56 | L | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.052 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.4 | -66.7 | -178.7 | 0 | 0 | 0 | 112.7 | F12 A26 L30 V37 L43 T52 A53 S54 Q59 | F12-L56 HydrophobicContact CE2-CD1 3.93Å; F12-L56 HydrophobicContact CZ-CD1 3.59Å; A26-L56 HydrophobicContact CB-CD1 4.13Å; A26-L56 HydrophobicContact CB-CD2 4.1Å; A26-L56 HydrophobicContact CB-CG 4.41Å; L30-L56 HydrophobicContact CD1-CD2 3.78Å; L30-L56 HydrophobicContact CD2-CD2 4.17Å; L30-L56 HydrophobicContact CG-CD2 4.05Å; V37-L56 HydrophobicContact CG1-CB 4.13Å; V37-L56 HydrophobicContact CG1-CD1 4.31Å; V37-L56 HydrophobicContact CG1-CD2 4.14Å; V37-L56 HydrophobicContact CG1-CG 4.43Å; L43-L56 HydrophobicContact CD1-CB 3.84Å; T52-L56 WeakPolarHBondContact O-CG 3.49Å; T52-L56 PolarHBondContact O-N 2.65Å; A53-L56 PolarHBondContact O-N 3.25Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.59Å; L56-Q59 PolarHBondContact O-N 3.3Å |
| 57 | A | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L43 A53 S54 Q59 A110 L114 | L43-A57 HydrophobicContact CD1-CB 3.88Å; A53-A57 VanDerWaalsContact O-CB 3.29Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.97Å; S54-A57 PolarHBondContact O-N 3.27Å; A57-Q59 VanDerWaalsContact C-N 3.31Å; A57-A110 HydrophobicContact CB-CB 4.27Å; A57-L114 HydrophobicContact CB-CB 3.9Å; A57-L114 HydrophobicContact CB-CD1 4.47Å |
| 58 | S | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.5 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 114 | S54 A60 L109 | S54-S58 VanDerWaalsContact O-CB 3.28Å; S54-S58 WeakPolarHBondContact O-CB 3.38Å; S54-S58 PolarHBondContact O-N 3.05Å; S54-S58 PolarHBondContact O-OG 3.09Å; S58-A60 PolarHBondContact O-N 3.17Å; S58-L109 VanDerWaalsContact O-CD1 3.27Å; S58-L109 WeakPolarHBondContact O-CD1 3.32Å |
| 59 | Q | 95.4 | Very high | 95.6 | Very high | 142 Ų | 142 | 25.2 Ų | 25.2 | 66% | 0.664 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30 | -175.3 | -53.8 | 176.8 | 53 | 0 | 0 | 112.9 | V55 L56 A57 | V55-Q59 CarbonylContact O-C 3.53Å; V55-Q59 WeakPolarHBondContact O-CA 3.31Å; V55-Q59 PolarHBondContact O-N 3.39Å; L56-Q59 PolarHBondContact O-N 3.3Å; A57-Q59 VanDerWaalsContact C-N 3.31Å |
| 60 | A | 95.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 25.5 Ų | 25.5 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | trans | -69.4 | 163.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V55 S58 I62 L102 P103 | V55-A60 HydrophobicContact CB-CB 4.44Å; V55-A60 HydrophobicContact CG1-CB 4.14Å; V55-A60 WeakPolarHBondContact CG1-O 3.24Å; V55-A60 HydrophobicContact CG2-CB 4.43Å; V55-A60 PolarHBondContact O-N 2.88Å; S58-A60 PolarHBondContact O-N 3.17Å; A60-I62 PolarHBondContact O-N 3.23Å; A60-I62 VanDerWaalsContact O-N 3.16Å; A60-L102 HydrophobicContact CB-CD2 4.17Å; A60-P103 HydrophobicContact CB-CG 4.46Å | ||
| 61 | C | 94.8 | Very high | 94.8 | Very high | 63 Ų | 63 | 29.7 Ų | 29.7 | 43% | 0.426 | 16% | 0.155 | S | C | . | . | trans | -71 | 113.3 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | A63 K64 C65 | C61-A63 PolarHBondContact O-N 3.2Å; C61-K64 HydrophobicContact CB-CB 4.05Å; C61-K64 HydrophobicContact CB-CD 3.73Å; C61-K64 HydrophobicContact CB-CG 3.89Å; C61-K64 PolarHBondContact O-N 3.48Å; C61-C65 PolarHBondContact O-N 3.24Å; C61-C65 VanDerWaalsContact O-N 3.15Å | ||
| 62 | I | 95.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -29.8 | 176.9 | -167 | 63 | 0 | 0 | 0 | 112.8 | I23 A26 L30 V55 A60 C65 C66 I319 | I23-I62 HydrophobicContact CG1-CD1 4.24Å; I23-I62 HydrophobicContact CG2-CD1 4.31Å; I23-I62 HydrophobicContact CG2-CG1 4.17Å; A26-I62 HydrophobicContact CB-CD1 4.05Å; L30-I62 HydrophobicContact CD1-CB 4.47Å; L30-I62 HydrophobicContact CD1-CG2 4.32Å; V55-I62 HydrophobicContact CG1-CB 4.41Å; V55-I62 HydrophobicContact CG1-CD1 3.97Å; A60-I62 PolarHBondContact O-N 3.23Å; A60-I62 VanDerWaalsContact O-N 3.16Å; I62-C65 PolarHBondContact O-N 3.42Å; I62-C66 PolarHBondContact O-N 3.4Å; I62-I319 HydrophobicContact CG2-CD1 4.34Å |
| 63 | A | 94.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 29 Ų | 29 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C61 C66 E67 I319 V322 | C61-A63 PolarHBondContact O-N 3.2Å; A63-C66 WeakPolarHBondContact O-CA 3.41Å; A63-C66 VanDerWaalsContact O-CB 3.22Å; A63-C66 WeakPolarHBondContact O-CB 2.98Å; A63-C66 PolarHBondContact O-N 3.41Å; A63-C66 VanDerWaalsContact O-N 3.08Å; A63-E67 WeakPolarHBondContact O-CG 3.46Å; A63-E67 PolarHBondContact O-N 3.32Å; A63-I319 HydrophobicContact CB-CD1 4.31Å; A63-V322 HydrophobicContact CB-CG2 4.24Å |
| 64 | K | 93 | Very high | 93.4 | Very high | 83 Ų | 83 | 31.9 Ų | 31.9 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.1 | -71.6 | 175 | 141.6 | -135.1 | 0 | 111.4 | C61 C66 E67 D68 D101 | C61-K64 HydrophobicContact CB-CB 4.05Å; C61-K64 HydrophobicContact CB-CD 3.73Å; C61-K64 HydrophobicContact CB-CG 3.89Å; C61-K64 PolarHBondContact O-N 3.48Å; K64-C66 PolarHBondContact O-N 3.49Å; K64-E67 WeakPolarHBondContact O-CB 3.29Å; K64-E67 PolarHBondContact O-N 2.85Å; K64-E67 VanDerWaalsContact O-N 3.09Å; K64-D68 VanDerWaalsContact O-CG 3.27Å; K64-D68 PolarHBondContact O-N 3Å; K64-D101 HydrophobicContact CB-CB 4.33Å; K64-D101 WeakPolarHBondContact CD-OD1 3.41Å; K64-D101 WeakPolarHBondContact CE-OD1 3.44Å; K64-D101 IonicContact NZ-OD1 3.48Å; K64-D101 PolarHBondContact NZ-OD1 3.42Å |
| 65 | C | 93.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.095 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -37.9 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 112 | V55 C61 I62 D68 V69 | V55-C65 HydrophobicContact CG1-CB 4.4Å; V55-C65 HydrophobicContact CG2-CB 3.9Å; C61-C65 PolarHBondContact O-N 3.24Å; C61-C65 VanDerWaalsContact O-N 3.15Å; I62-C65 PolarHBondContact O-N 3.42Å; C65-D68 PolarHBondContact O-N 3.4Å; C65-V69 WeakPolarHBondContact O-CG2 3.45Å; C65-V69 PolarHBondContact O-N 3.14Å |
| 66 | C | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 173.5 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | I23 I62 A63 K64 I70 I319 V322 | I23-C66 HydrophobicContact CD1-CB 4.14Å; I23-C66 HydrophobicContact CG2-CB 3.96Å; I62-C66 PolarHBondContact O-N 3.4Å; A63-C66 WeakPolarHBondContact O-CA 3.41Å; A63-C66 VanDerWaalsContact O-CB 3.22Å; A63-C66 WeakPolarHBondContact O-CB 2.98Å; A63-C66 PolarHBondContact O-N 3.41Å; A63-C66 VanDerWaalsContact O-N 3.08Å; K64-C66 PolarHBondContact O-N 3.49Å; C66-I70 WeakPolarHBondContact O-CD1 3.48Å; C66-I70 VanDerWaalsContact O-CG1 3.26Å; C66-I70 WeakPolarHBondContact O-CG1 3.43Å; C66-I70 PolarHBondContact O-N 2.82Å; C66-I70 VanDerWaalsContact O-N 3.15Å; C66-I319 HydrophobicContact CB-CD1 4.21Å; C66-V322 HydrophobicContact CB-CG1 4.13Å |
| 67 | E | 92.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.2 | -69.3 | 166.6 | -159.6 | 0 | 0 | 110.7 | A63 K64 V69 I70 E71 V322 | A63-E67 WeakPolarHBondContact O-CG 3.46Å; A63-E67 PolarHBondContact O-N 3.32Å; K64-E67 WeakPolarHBondContact O-CB 3.29Å; K64-E67 PolarHBondContact O-N 2.85Å; K64-E67 VanDerWaalsContact O-N 3.09Å; E67-V69 PolarHBondContact O-N 2.88Å; E67-I70 CarbonylContact O-C 2.82Å; E67-I70 PolarHBondContact O-N 2.96Å; E67-E71 WeakPolarHBondContact O-CB 3.17Å; E67-E71 PolarHBondContact O-N 3.09Å; E67-V322 HydrophobicContact CB-CG1 4.37Å; E67-V322 HydrophobicContact CG-CB 4.19Å; E67-V322 HydrophobicContact CG-CG1 3.55Å; E67-V322 HydrophobicContact CG-CG2 3.64Å; E67-V322 WeakPolarHBondContact OE1-CG2 3.22Å |
| 68 | D | 90.9 | Very high | 90.7 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 178.9 | -67.3 | -20.8 | 0 | 0 | 0 | 112.1 | K64 C65 I70 E71 V72 R100 | K64-D68 VanDerWaalsContact O-CG 3.27Å; K64-D68 PolarHBondContact O-N 3Å; C65-D68 PolarHBondContact O-N 3.4Å; D68-I70 VanDerWaalsContact C-N 3.27Å; D68-I70 PolarHBondContact O-N 3.22Å; D68-E71 PolarHBondContact O-N 3.22Å; D68-V72 WeakPolarHBondContact O-CG2 3.24Å; D68-V72 PolarHBondContact O-N 2.83Å; D68-R100 IonicContact OD1-CZ 2.79Å; D68-R100 IonicContact OD1-NH2 2.7Å; D68-R100 PolarHBondContact OD1-NH2 3.31Å |
| 69 | V | 91.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I20 I23 C65 E67 A73 | I20-V69 HydrophobicContact CB-CG1 4.23Å; I20-V69 HydrophobicContact CD1-CB 4.29Å; I20-V69 HydrophobicContact CD1-CG1 3.99Å; I23-V69 HydrophobicContact CD1-CB 4.35Å; I23-V69 HydrophobicContact CD1-CG2 3.87Å; C65-V69 WeakPolarHBondContact O-CG2 3.45Å; C65-V69 PolarHBondContact O-N 3.14Å; E67-V69 PolarHBondContact O-N 2.88Å; V69-A73 VanDerWaalsContact O-CB 3.27Å; V69-A73 WeakPolarHBondContact O-CB 3.47Å; V69-A73 PolarHBondContact O-N 3.4Å |
| 70 | I | 90.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 176.4 | -68 | 168.1 | 0 | 0 | 0 | 111.2 | C66 E67 D68 A73 K74 L234 V322 F323 A326 | C66-I70 WeakPolarHBondContact O-CD1 3.48Å; C66-I70 VanDerWaalsContact O-CG1 3.26Å; C66-I70 WeakPolarHBondContact O-CG1 3.43Å; C66-I70 PolarHBondContact O-N 2.82Å; C66-I70 VanDerWaalsContact O-N 3.15Å; E67-I70 CarbonylContact O-C 2.82Å; E67-I70 PolarHBondContact O-N 2.96Å; D68-I70 VanDerWaalsContact C-N 3.27Å; D68-I70 PolarHBondContact O-N 3.22Å; I70-A73 PolarHBondContact O-N 2.8Å; I70-K74 HydrophobicContact CG2-CD 4.24Å; I70-K74 HydrophobicContact CG2-CG 4.4Å; I70-K74 WeakPolarHBondContact O-CB 3.44Å; I70-K74 WeakPolarHBondContact O-CG 3.47Å; I70-K74 PolarHBondContact O-N 2.78Å; I70-L234 HydrophobicContact CG1-CD1 4.5Å; I70-V322 HydrophobicContact CD1-CG1 3.58Å; I70-F323 HydrophobicContact CD1-CD1 3.65Å; I70-F323 HydrophobicContact CD1-CE1 3.58Å; I70-F323 HydrophobicContact CD1-CG 4.47Å; I70-F323 HydrophobicContact CD1-CZ 4.33Å; I70-F323 HydrophobicContact CG1-CE1 4.18Å; I70-A326 HydrophobicContact CD1-CB 4.1Å; I70-A326 HydrophobicContact CG2-CB 3.63Å |
| 71 | E | 88.3 | Confident | 87 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 176.6 | -171.7 | -178.7 | 174.3 | 0 | 0 | 110.6 | E67 D68 A73 K74 E75 R100 | E67-E71 WeakPolarHBondContact O-CB 3.17Å; E67-E71 PolarHBondContact O-N 3.09Å; D68-E71 PolarHBondContact O-N 3.22Å; E71-A73 VanDerWaalsContact C-N 3.3Å; E71-A73 PolarHBondContact O-N 2.83Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-K74 VanDerWaalsContact O-N 3.15Å; E71-E75 PolarHBondContact O-N 3.47Å; E71-R100 IonicContact OE2-CZ 2.75Å; E71-R100 IonicContact OE2-NH1 3.23Å; E71-R100 PolarHBondContact OE2-NH1 2.87Å; E71-R100 IonicContact OE2-NH2 2.77Å; E71-R100 PolarHBondContact OE2-NH2 3.36Å |
| 72 | V | 88.4 | Confident | 86.3 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | F17 D68 E75 A76 F88 L90 V93 | F17-V72 HydrophobicContact CE1-CB 4.17Å; F17-V72 HydrophobicContact CE1-CG1 3.61Å; F17-V72 HydrophobicContact CZ-CG1 3.85Å; D68-V72 WeakPolarHBondContact O-CG2 3.24Å; D68-V72 PolarHBondContact O-N 2.83Å; V72-E75 PolarHBondContact O-N 3.37Å; V72-A76 WeakPolarHBondContact O-CB 3.41Å; V72-A76 PolarHBondContact O-N 2.68Å; V72-F88 HydrophobicContact CG1-CE2 4.49Å; V72-F88 HydrophobicContact CG1-CZ 3.99Å; V72-L90 HydrophobicContact CG1-CD1 3.48Å; V72-L90 VanDerWaalsContact CG1-CD1 3.48Å; V72-V93 HydrophobicContact CB-CG1 4.36Å; V72-V93 HydrophobicContact CG2-CG1 3.57Å |
| 73 | A | 89.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F17 V69 I70 E71 R77 P228 L234 | F17-A73 HydrophobicContact CD1-CB 4.09Å; F17-A73 HydrophobicContact CE1-CB 4.09Å; V69-A73 VanDerWaalsContact O-CB 3.27Å; V69-A73 WeakPolarHBondContact O-CB 3.47Å; V69-A73 PolarHBondContact O-N 3.4Å; I70-A73 PolarHBondContact O-N 2.8Å; E71-A73 VanDerWaalsContact C-N 3.3Å; E71-A73 PolarHBondContact O-N 2.83Å; A73-R77 WeakPolarHBondContact O-CB 3.26Å; A73-R77 WeakPolarHBondContact O-CG 3.4Å; A73-R77 PolarHBondContact O-N 3.27Å; A73-R77 VanDerWaalsContact O-N 3.1Å; A73-P228 HydrophobicContact CB-CB 3.68Å; A73-P228 HydrophobicContact CB-CG 4.35Å; A73-L234 HydrophobicContact CB-CD1 3.77Å |
| 74 | K | 85.8 | Confident | 84.5 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 175 | -78.1 | 177.1 | 175.9 | -177 | 0 | 111 | I70 E71 R77 K78 D329 | I70-K74 HydrophobicContact CG2-CD 4.24Å; I70-K74 HydrophobicContact CG2-CG 4.4Å; I70-K74 WeakPolarHBondContact O-CB 3.44Å; I70-K74 WeakPolarHBondContact O-CG 3.47Å; I70-K74 PolarHBondContact O-N 2.78Å; E71-K74 PolarHBondContact O-N 3.41Å; E71-K74 VanDerWaalsContact O-N 3.15Å; K74-R77 PolarHBondContact O-N 2.78Å; K74-R77 VanDerWaalsContact O-N 3.09Å; K74-K78 PolarHBondContact O-N 2.88Å; K74-K78 VanDerWaalsContact O-N 3.15Å; K74-D329 IonicContact NZ-OD2 3.66Å; K74-D329 PolarHBondContact NZ-OD2 3.22Å |
| 75 | E | 84.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.9 | -77.1 | -59.6 | 127 | 0 | 0 | 111.8 | E71 V72 R77 K78 F88 | E71-E75 PolarHBondContact O-N 3.47Å; V72-E75 PolarHBondContact O-N 3.37Å; E75-R77 PolarHBondContact O-N 3.31Å; E75-K78 VanDerWaalsContact O-CB 3.28Å; E75-K78 WeakPolarHBondContact O-CB 3.36Å; E75-K78 PolarHBondContact O-N 2.88Å; E75-K78 IonicContact OE1-NZ 3.04Å; E75-K78 PolarHBondContact OE1-NZ 3.34Å; E75-K78 WeakPolarHBondContact OE2-CD 3.39Å; E75-K78 IonicContact OE2-NZ 3.01Å; E75-K78 PolarHBondContact OE2-NZ 2.8Å; E75-K78 VanDerWaalsContact OE2-NZ 3.1Å; E75-F88 HydrophobicContact CB-CD2 4.48Å; E75-F88 HydrophobicContact CB-CE2 4.21Å |
| 76 | A | 85.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -28.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F17 V72 G82 P83 F88 P228 | F17-A76 HydrophobicContact CE1-CB 4.42Å; F17-A76 HydrophobicContact CE2-CB 4.45Å; F17-A76 HydrophobicContact CZ-CB 3.78Å; V72-A76 WeakPolarHBondContact O-CB 3.41Å; V72-A76 PolarHBondContact O-N 2.68Å; A76-G82 CarbonylContact O-C 3.31Å; A76-G82 WeakPolarHBondContact O-CA 3.41Å; A76-P83 HydrophobicContact CB-CB 4.15Å; A76-F88 HydrophobicContact CB-CD2 4.41Å; A76-F88 HydrophobicContact CB-CE1 4.17Å; A76-F88 HydrophobicContact CB-CE2 3.86Å; A76-F88 HydrophobicContact CB-CZ 3.72Å; A76-P228 HydrophobicContact CB-CG 3.63Å |
| 77 | R | 84.2 | Confident | 81.4 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 35% | 0.347 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -92.8 | -3.9 | 179.6 | -70.6 | 174 | 66.1 | -98.9 | -4.5 | 114.4 | A73 K74 E75 R79 P228 P229 E230 | A73-R77 WeakPolarHBondContact O-CB 3.26Å; A73-R77 WeakPolarHBondContact O-CG 3.4Å; A73-R77 PolarHBondContact O-N 3.27Å; A73-R77 VanDerWaalsContact O-N 3.1Å; K74-R77 PolarHBondContact O-N 2.78Å; K74-R77 VanDerWaalsContact O-N 3.09Å; E75-R77 PolarHBondContact O-N 3.31Å; R77-R79 PolarHBondContact O-N 3.08Å; R77-P228 VanDerWaalsContact CD-O 3.32Å; R77-P228 WeakPolarHBondContact CD-O 3.43Å; R77-P228 HydrophobicContact CG-CG 4.11Å; R77-P229 WeakPolarHBondContact CD-O 3.27Å; R77-E230 IonicContact NH2-OE1 2.81Å; R77-E230 PolarHBondContact NH2-OE1 3.46Å |
| 78 | K | 81.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -65.6 | -22.3 | -170.7 | -168.1 | 173.8 | -170.9 | 163.8 | 0 | 114 | K74 E75 | K74-K78 PolarHBondContact O-N 2.88Å; K74-K78 VanDerWaalsContact O-N 3.15Å; E75-K78 VanDerWaalsContact O-CB 3.28Å; E75-K78 WeakPolarHBondContact O-CB 3.36Å; E75-K78 PolarHBondContact O-N 2.88Å; E75-K78 IonicContact OE1-NZ 3.04Å; E75-K78 PolarHBondContact OE1-NZ 3.34Å; E75-K78 WeakPolarHBondContact OE2-CD 3.39Å; E75-K78 IonicContact OE2-NZ 3.01Å; E75-K78 PolarHBondContact OE2-NZ 2.8Å; E75-K78 VanDerWaalsContact OE2-NZ 3.1Å |
| 79 | R | 76.8 | Confident | 80.3 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -129.5 | 159.6 | -174.6 | -61 | -173.9 | 176.2 | 95.7 | -5.1 | 111.3 | R77 L81 G82 H85 T87 | R77-R79 PolarHBondContact O-N 3.08Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.01Å; R79-G82 WeakPolarHBondContact O-CA 3.29Å; R79-G82 PolarHBondContact O-N 2.82Å; R79-H85 HydrophobicContact CB-CB 4.32Å; R79-H85 WeakPolarHBondContact CD-CE1 3.41Å; R79-H85 WeakPolarHBondContact CD-ND1 3.42Å; R79-H85 WeakPolarHBondContact CD-NE2 3.29Å; R79-T87 PolarHBondContact NE-OG1 3.46Å; R79-T87 PolarHBondContact NH1-OG1 3.19Å |
| 80 | N | 64.9 | Low | 80 | Confident | 70 Ų | 70 | 45.6 Ų | 45.6 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.5 | -169.6 | -64.5 | -14.3 | 0 | 0 | 0 | 115.4 | G82 S347 Y348 | N80-G82 VanDerWaalsContact C-N 3.26Å; N80-S347 PolarHBondContact ND2-OG 3.4Å; N80-Y348 HydrophobicContact CB-CE1 4.12Å |
| 81 | L | 67.3 | Low | 79.9 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 1.3 | 172 | -72.5 | -178.4 | 0 | 0 | 0 | 113.6 | R79 L84 H85 M351 L355 | R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.01Å; L81-L84 WeakPolarHBondContact O-CB 3.48Å; L81-L84 PolarHBondContact O-N 2.92Å; L81-L84 VanDerWaalsContact O-N 3.11Å; L81-H85 HydrophobicContact CB-CB 3.99Å; L81-M351 HydrophobicContact CD1-CE 3.8Å; L81-M351 HydrophobicContact CD2-CE 3.36Å; L81-M351 HydrophobicContact CG-CE 3.39Å; L81-L355 HydrophobicContact CD1-CD1 3.46Å; L81-L355 VanDerWaalsContact CD1-CD1 3.46Å; L81-L355 HydrophobicContact CG-CD1 4.32Å |
| 82 | G | 80.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | 54.3 | -130.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A76 R79 N80 L84 H85 | A76-G82 CarbonylContact O-C 3.31Å; A76-G82 WeakPolarHBondContact O-CA 3.41Å; R79-G82 WeakPolarHBondContact O-CA 3.29Å; R79-G82 PolarHBondContact O-N 2.82Å; N80-G82 VanDerWaalsContact C-N 3.26Å; G82-L84 PolarHBondContact O-N 2.98Å; G82-H85 VanDerWaalsContact O-CB 3.24Å; G82-H85 WeakPolarHBondContact O-CB 3.37Å; G82-H85 PolarHBondContact O-N 3.08Å; G82-H85 VanDerWaalsContact O-N 3.15Å |
| 83 | P | 77.5 | Confident | 79.8 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70 | -14.2 | -178.9 | 28.5 | -33.4 | 0 | 0 | 0 | 113.9 | A76 H85 F88 Y151 L226 F227 | A76-P83 HydrophobicContact CB-CB 4.15Å; P83-H85 PolarHBondContact O-N 2.66Å; P83-F88 HydrophobicContact CB-CD1 4.06Å; P83-F88 HydrophobicContact CB-CE1 4Å; P83-F88 WeakPolarHBondContact O-CD1 3.28Å; P83-Y151 HydrophobicContact CB-CE2 4.12Å; P83-Y151 WeakPolarHBondContact CB-OH 3.46Å; P83-Y151 HydrophobicContact CG-CE2 4.09Å; P83-Y151 VanDerWaalsContact CG-OH 3.28Å; P83-Y151 WeakPolarHBondContact CG-OH 3.37Å; P83-L226 WeakPolarHBondContact CG-O 3.22Å; P83-F227 HydrophobicContact CG-CD1 3.85Å; P83-F227 HydrophobicContact CG-CE1 4.16Å |
| 84 | L | 75.7 | Confident | 79.9 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -82.4 | -2.5 | 175.2 | -57.8 | 178.9 | 0 | 0 | 0 | 112.4 | L81 G82 Y151 F227 | L81-L84 WeakPolarHBondContact O-CB 3.48Å; L81-L84 PolarHBondContact O-N 2.92Å; L81-L84 VanDerWaalsContact O-N 3.11Å; G82-L84 PolarHBondContact O-N 2.98Å; L84-Y151 HydrophobicContact CD2-CD2 3.85Å; L84-Y151 HydrophobicContact CD2-CE2 4.08Å; L84-F227 HydrophobicContact CD1-CE1 3.97Å; L84-F227 HydrophobicContact CD1-CZ 3.98Å; L84-F227 HydrophobicContact CG-CE1 4.1Å; L84-F227 HydrophobicContact CG-CZ 4.42Å |
| 85 | H | 73.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -67.7 | 131.6 | 178.4 | -164.8 | -79.4 | 0 | 0 | 0 | 110.6 | R79 L81 G82 P83 T87 F88 Q358 | R79-H85 HydrophobicContact CB-CB 4.32Å; R79-H85 WeakPolarHBondContact CD-CE1 3.41Å; R79-H85 WeakPolarHBondContact CD-ND1 3.42Å; R79-H85 WeakPolarHBondContact CD-NE2 3.29Å; L81-H85 HydrophobicContact CB-CB 3.99Å; G82-H85 VanDerWaalsContact O-CB 3.24Å; G82-H85 WeakPolarHBondContact O-CB 3.37Å; G82-H85 PolarHBondContact O-N 3.08Å; G82-H85 VanDerWaalsContact O-N 3.15Å; P83-H85 PolarHBondContact O-N 2.66Å; H85-T87 PolarHBondContact CE1-OG1 3.43Å; H85-T87 PolarHBondContact ND1-N 3.25Å; H85-T87 PolarHBondContact ND1-OG1 3.02Å; H85-T87 PolarHBondContact O-N 3.3Å; H85-T87 VanDerWaalsContact O-N 3.1Å; H85-F88 WeakPolarHBondContact O-CB 3.44Å; H85-F88 PolarHBondContact O-N 2.9Å; H85-Q358 PolarHBondContact CE1-OE1 2.82Å; H85-Q358 PolarHBondContact NE2-OE1 2.7Å; H85-Q358 VanDerWaalsContact NE2-OE1 3.15Å |
| 86 | P | 69.6 | Low | 80.6 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.1 | -172.4 | 20 | -32.9 | 0 | 0 | 0 | 113.9 | F88 S362 R366 | P86-F88 VanDerWaalsContact C-N 3.28Å; P86-F88 PolarHBondContact O-N 2.93Å; P86-S362 PolarHBondContact O-OG 3.21Å; P86-R366 VanDerWaalsContact O-CZ 3.24Å; P86-R366 PolarHBondContact O-NE 2.98Å; P86-R366 PolarHBondContact O-NH2 2.9Å |
| 87 | T | 72.4 | Confident | 80.9 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.9 | 177.2 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | R79 H85 N89 S362 | R79-T87 PolarHBondContact NE-OG1 3.46Å; R79-T87 PolarHBondContact NH1-OG1 3.19Å; H85-T87 PolarHBondContact CE1-OG1 3.43Å; H85-T87 PolarHBondContact ND1-N 3.25Å; H85-T87 PolarHBondContact ND1-OG1 3.02Å; H85-T87 PolarHBondContact O-N 3.3Å; H85-T87 VanDerWaalsContact O-N 3.1Å; T87-N89 PolarHBondContact O-N 2.64Å; T87-S362 VanDerWaalsContact CA-OG 3.3Å; T87-S362 WeakPolarHBondContact CA-OG 3.47Å; T87-S362 PolarHBondContact N-OG 3.43Å |
| 88 | F | 77.6 | Confident | 81.4 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | trans | -78.8 | 117.9 | 171.3 | -178.6 | -111.7 | 0 | 0 | 0 | 108.4 | F17 V72 E75 A76 P83 H85 P86 L90 R366 | F17-F88 HydrophobicContact CZ-CZ 4.41Å; V72-F88 HydrophobicContact CG1-CE2 4.49Å; V72-F88 HydrophobicContact CG1-CZ 3.99Å; E75-F88 HydrophobicContact CB-CD2 4.48Å; E75-F88 HydrophobicContact CB-CE2 4.21Å; A76-F88 HydrophobicContact CB-CD2 4.41Å; A76-F88 HydrophobicContact CB-CE1 4.17Å; A76-F88 HydrophobicContact CB-CE2 3.86Å; A76-F88 HydrophobicContact CB-CZ 3.72Å; P83-F88 HydrophobicContact CB-CD1 4.06Å; P83-F88 HydrophobicContact CB-CE1 4Å; P83-F88 WeakPolarHBondContact O-CD1 3.28Å; H85-F88 WeakPolarHBondContact O-CB 3.44Å; H85-F88 PolarHBondContact O-N 2.9Å; P86-F88 VanDerWaalsContact C-N 3.28Å; P86-F88 PolarHBondContact O-N 2.93Å; F88-L90 HydrophobicContact CD1-CB 4.5Å; F88-L90 HydrophobicContact CE1-CB 3.77Å; F88-L90 HydrophobicContact CE1-CD1 4.28Å; F88-L90 HydrophobicContact CE1-CG 4.5Å; F88-L90 HydrophobicContact CZ-CB 4.14Å; F88-L90 HydrophobicContact CZ-CD1 3.96Å; F88-R366 PolarHBondContact O-NH2 3.01Å | ||
| 89 | N | 82.4 | Confident | 82 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | trans | -117.2 | 91 | 177.1 | -175.7 | -20.3 | 0 | 0 | 0 | 108.5 | T87 V91 K92 V93 | T87-N89 PolarHBondContact O-N 2.64Å; N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.5Å; N89-V91 PolarHBondContact OD1-N 3.03Å; N89-K92 HydrophobicContact CB-CB 3.99Å; N89-K92 PolarHBondContact O-N 3.27Å; N89-K92 PolarHBondContact OD1-N 3.41Å; N89-V93 WeakPolarHBondContact O-CG2 3.5Å; N89-V93 PolarHBondContact O-N 2.87Å; N89-V93 VanDerWaalsContact O-N 3.12Å | ||
| 90 | L | 85.1 | Confident | 82.9 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -41.6 | -178.6 | 179.9 | 57.4 | 0 | 0 | 0 | 111.7 | V72 F88 K92 V93 L94 Y151 | V72-L90 HydrophobicContact CG1-CD1 3.48Å; V72-L90 VanDerWaalsContact CG1-CD1 3.48Å; F88-L90 HydrophobicContact CD1-CB 4.5Å; F88-L90 HydrophobicContact CE1-CB 3.77Å; F88-L90 HydrophobicContact CE1-CD1 4.28Å; F88-L90 HydrophobicContact CE1-CG 4.5Å; F88-L90 HydrophobicContact CZ-CB 4.14Å; F88-L90 HydrophobicContact CZ-CD1 3.96Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 2.9Å; L90-V93 PolarHBondContact O-N 3.36Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 PolarHBondContact O-N 2.97Å; L90-Y151 HydrophobicContact CD2-CD1 4.46Å; L90-Y151 HydrophobicContact CD2-CE1 4.07Å |
| 91 | V | 87.4 | Confident | 84.2 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | -180 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | N89 R95 V143 F147 C152 | N89-V91 VanDerWaalsContact C-N 3.25Å; N89-V91 PolarHBondContact O-N 3.5Å; N89-V91 PolarHBondContact OD1-N 3.03Å; V91-R95 VanDerWaalsContact O-CB 3.25Å; V91-R95 WeakPolarHBondContact O-CB 3.46Å; V91-R95 PolarHBondContact O-N 2.86Å; V91-V143 HydrophobicContact CG1-CG1 3.71Å; V91-F147 HydrophobicContact CG2-CD2 3.81Å; V91-F147 HydrophobicContact CG2-CE2 4.25Å; V91-C152 HydrophobicContact CG2-CB 4.21Å |
| 92 | K | 87.4 | Confident | 85.6 | Confident | 93 Ų | 93 | 43.2 Ų | 43.2 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 179.9 | -174.5 | 175.9 | -175.8 | 173.9 | 0 | 112.5 | N89 L90 S96 E369 | N89-K92 HydrophobicContact CB-CB 3.99Å; N89-K92 PolarHBondContact O-N 3.27Å; N89-K92 PolarHBondContact OD1-N 3.41Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 2.9Å; K92-S96 WeakPolarHBondContact O-CB 3.31Å; K92-S96 PolarHBondContact O-N 2.83Å; K92-S96 VanDerWaalsContact O-N 3.09Å; K92-S96 PolarHBondContact O-OG 2.75Å; K92-E369 IonicContact NZ-OE1 2.74Å; K92-E369 PolarHBondContact NZ-OE1 3.41Å; K92-E369 IonicContact NZ-OE2 3.34Å |
| 93 | V | 88.4 | Confident | 86.3 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 177.7 | -179 | 0 | 0 | 0 | 0 | 109.8 | V72 N89 L90 R95 S96 G97 | V72-V93 HydrophobicContact CB-CG1 4.36Å; V72-V93 HydrophobicContact CG2-CG1 3.57Å; N89-V93 WeakPolarHBondContact O-CG2 3.5Å; N89-V93 PolarHBondContact O-N 2.87Å; N89-V93 VanDerWaalsContact O-N 3.12Å; L90-V93 PolarHBondContact O-N 3.36Å; V93-R95 PolarHBondContact O-N 3.14Å; V93-S96 PolarHBondContact O-N 3.19Å; V93-G97 PolarHBondContact O-N 2.76Å |
| 94 | L | 90.5 | Very high | 87.2 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 178.6 | 179.9 | 63 | 0 | 0 | 0 | 112 | L51 L90 S96 G97 L98 V143 C146 | L51-L94 HydrophobicContact CD1-CD1 3.69Å; L51-L94 HydrophobicContact CD2-CD1 3.92Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 PolarHBondContact O-N 2.97Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.47Å; L94-G97 PolarHBondContact O-N 3.42Å; L94-L98 HydrophobicContact CD1-CD1 3.95Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CG-CD1 3.88Å; L94-L98 HydrophobicContact CG-CG 4.39Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.08Å; L94-V143 HydrophobicContact CD2-CG2 4.36Å; L94-C146 HydrophobicContact CD2-CB 3.66Å |
| 95 | R | 93.3 | Very high | 88.2 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 179.3 | -165.8 | -179.5 | -155.5 | 119.6 | 11.1 | 111.9 | V91 V93 N99 I139 Q140 V143 | V91-R95 VanDerWaalsContact O-CB 3.25Å; V91-R95 WeakPolarHBondContact O-CB 3.46Å; V91-R95 PolarHBondContact O-N 2.86Å; V93-R95 PolarHBondContact O-N 3.14Å; R95-N99 VanDerWaalsContact O-CB 3.26Å; R95-N99 WeakPolarHBondContact O-CB 3.25Å; R95-N99 PolarHBondContact O-N 2.97Å; R95-I139 HydrophobicContact CG-CG2 3.94Å; R95-Q140 VanDerWaalsContact CZ-OE1 3.26Å; R95-V143 HydrophobicContact CB-CG2 4.38Å |
| 96 | S | 91.8 | Very high | 89.4 | Confident | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | K92 V93 L94 N99 R100 | K92-S96 WeakPolarHBondContact O-CB 3.31Å; K92-S96 PolarHBondContact O-N 2.83Å; K92-S96 VanDerWaalsContact O-N 3.09Å; K92-S96 PolarHBondContact O-OG 2.75Å; V93-S96 PolarHBondContact O-N 3.19Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.47Å; S96-N99 PolarHBondContact O-N 3.27Å; S96-R100 WeakPolarHBondContact O-CB 3.25Å; S96-R100 PolarHBondContact O-N 3.07Å |
| 97 | G | 91.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V93 L94 N99 R100 D101 | V93-G97 PolarHBondContact O-N 2.76Å; L94-G97 PolarHBondContact O-N 3.42Å; G97-N99 VanDerWaalsContact C-N 3.29Å; G97-N99 PolarHBondContact O-N 3.42Å; G97-R100 WeakPolarHBondContact O-CB 3.26Å; G97-R100 PolarHBondContact O-N 2.88Å; G97-D101 PolarHBondContact O-N 3.47Å |
| 98 | L | 94.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.5 | -69.8 | 174.6 | 0 | 0 | 0 | 112.7 | L51 L94 R100 L102 I139 L142 | L51-L98 HydrophobicContact CD2-CD1 4.08Å; L51-L98 HydrophobicContact CD2-CD2 4.11Å; L94-L98 HydrophobicContact CD1-CD1 3.95Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CG-CD1 3.88Å; L94-L98 HydrophobicContact CG-CG 4.39Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.08Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-L102 HydrophobicContact CB-CD1 4.29Å; L98-L102 HydrophobicContact CD2-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CG 4.36Å; L98-L102 VanDerWaalsContact O-CB 3.25Å; L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.95Å; L98-L102 VanDerWaalsContact O-N 3.08Å; L98-I139 HydrophobicContact CB-CD1 4.37Å; L98-I139 HydrophobicContact CB-CG1 4.06Å; L98-I139 HydrophobicContact CB-CG2 4.25Å; L98-I139 HydrophobicContact CD1-CG2 4.25Å; L98-L142 HydrophobicContact CD1-CB 3.99Å; L98-L142 HydrophobicContact CD1-CD1 4.14Å; L98-L142 HydrophobicContact CD2-CD1 4.17Å |
| 99 | N | 94.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68 | -35.7 | 177 | -168.3 | 56.9 | 0 | 0 | 0 | 112.5 | R95 S96 G97 K135 I139 | R95-N99 VanDerWaalsContact O-CB 3.26Å; R95-N99 WeakPolarHBondContact O-CB 3.25Å; R95-N99 PolarHBondContact O-N 2.97Å; S96-N99 PolarHBondContact O-N 3.27Å; G97-N99 VanDerWaalsContact C-N 3.29Å; G97-N99 PolarHBondContact O-N 3.42Å; N99-K135 PolarHBondContact O-NZ 3.42Å; N99-I139 HydrophobicContact CB-CD1 4.1Å |
| 100 | R | 94.6 | Very high | 93.6 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 177.9 | 178.8 | 179.4 | 66.2 | -162.4 | 3 | 112.4 | D68 E71 S96 G97 L98 | D68-R100 IonicContact OD1-CZ 2.79Å; D68-R100 IonicContact OD1-NH2 2.7Å; D68-R100 PolarHBondContact OD1-NH2 3.31Å; E71-R100 IonicContact OE2-CZ 2.75Å; E71-R100 IonicContact OE2-NH1 3.23Å; E71-R100 PolarHBondContact OE2-NH1 2.87Å; E71-R100 IonicContact OE2-NH2 2.77Å; E71-R100 PolarHBondContact OE2-NH2 3.36Å; S96-R100 WeakPolarHBondContact O-CB 3.25Å; S96-R100 PolarHBondContact O-N 3.07Å; G97-R100 WeakPolarHBondContact O-CB 3.26Å; G97-R100 PolarHBondContact O-N 2.88Å; L98-R100 VanDerWaalsContact C-N 3.35Å |
| 101 | D | 93.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -108.1 | -19.2 | -162.8 | -66.1 | -57.3 | 0 | 0 | 0 | 115.4 | K64 G97 | K64-D101 HydrophobicContact CB-CB 4.33Å; K64-D101 WeakPolarHBondContact CD-OD1 3.41Å; K64-D101 WeakPolarHBondContact CE-OD1 3.44Å; K64-D101 IonicContact NZ-OD1 3.48Å; K64-D101 PolarHBondContact NZ-OD1 3.42Å; G97-D101 PolarHBondContact O-N 3.47Å |
| 102 | L | 96.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -73.7 | 136.7 | 169.3 | -68.7 | 177.2 | 0 | 0 | 0 | 111.1 | A60 L98 A106 K135 L138 I139 L142 | A60-L102 HydrophobicContact CB-CD2 4.17Å; L98-L102 HydrophobicContact CB-CD1 4.29Å; L98-L102 HydrophobicContact CD2-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CG 4.36Å; L98-L102 VanDerWaalsContact O-CB 3.25Å; L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.95Å; L98-L102 VanDerWaalsContact O-N 3.08Å; L102-A106 HydrophobicContact CB-CB 4.03Å; L102-K135 PolarHBondContact O-NZ 2.91Å; L102-L138 HydrophobicContact CD1-CD2 4.23Å; L102-I139 HydrophobicContact CD1-CG1 4.01Å; L102-L142 HydrophobicContact CD1-CD1 4.35Å |
| 103 | P | 96.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 25% | 0.253 | 27% | 0.268 | S | S | . | . | trans | -54 | 155.6 | 169.5 | -25.9 | 33.8 | 0 | 0 | 0 | 113 | A60 D105 A106 | A60-P103 HydrophobicContact CB-CG 4.46Å; P103-D105 VanDerWaalsContact C-N 3.26Å; P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 3.26Å; P103-A106 HydrophobicContact CB-CB 4.37Å; P103-A106 WeakPolarHBondContact O-CB 3.27Å; P103-A106 PolarHBondContact O-N 3.39Å; P103-A106 VanDerWaalsContact O-N 3.17Å | ||
| 104 | S | 96.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.1 | 177 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | A106 H107 | S104-A106 VanDerWaalsContact C-N 3.34Å; S104-H107 PolarHBondContact O-CE1 3.49Å; S104-H107 PolarHBondContact O-ND1 2.76Å |
| 105 | D | 96.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 47 Ų | 47 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.2 | 177.3 | 65.3 | -26.1 | 0 | 0 | 0 | 113.6 | P103 H107 I108 L109 | P103-D105 VanDerWaalsContact C-N 3.26Å; P103-D105 WeakPolarHBondContact CB-OD1 3.43Å; P103-D105 PolarHBondContact O-N 3.26Å; D105-H107 PolarHBondContact O-N 2.91Å; D105-H107 VanDerWaalsContact O-N 3.09Å; D105-I108 HydrophobicContact CB-CD1 4.25Å; D105-I108 WeakPolarHBondContact O-CB 3.06Å; D105-I108 PolarHBondContact O-N 3.05Å; D105-L109 PolarHBondContact O-N 2.87Å |
| 106 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.1 | -36 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L102 P103 S104 I108 L109 A110 L138 | L102-A106 HydrophobicContact CB-CB 4.03Å; P103-A106 HydrophobicContact CB-CB 4.37Å; P103-A106 WeakPolarHBondContact O-CB 3.27Å; P103-A106 PolarHBondContact O-N 3.39Å; P103-A106 VanDerWaalsContact O-N 3.17Å; S104-A106 VanDerWaalsContact C-N 3.34Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.94Å; A106-L109 PolarHBondContact O-N 3.49Å; A106-A110 WeakPolarHBondContact O-CB 3.42Å; A106-A110 PolarHBondContact O-N 2.59Å; A106-L138 HydrophobicContact CB-CD2 3.97Å |
| 107 | H | 97.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 38.6 Ų | 38.6 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -31.4 | 177.5 | 64.4 | -77.2 | 0 | 0 | 0 | 113.2 | S104 D105 S111 F132 S133 S134 K135 L138 | S104-H107 PolarHBondContact O-CE1 3.49Å; S104-H107 PolarHBondContact O-ND1 2.76Å; D105-H107 PolarHBondContact O-N 2.91Å; D105-H107 VanDerWaalsContact O-N 3.09Å; H107-S111 VanDerWaalsContact O-CB 3.22Å; H107-S111 WeakPolarHBondContact O-CB 3.45Å; H107-S111 PolarHBondContact O-N 3.48Å; H107-S111 PolarHBondContact O-OG 2.86Å; H107-F132 HydrophobicContact CB-CB 3.98Å; H107-S133 PolarHBondContact CD2-O 3.41Å; H107-S134 VanDerWaalsContact CB-O 3.24Å; H107-S134 WeakPolarHBondContact CB-O 3.36Å; H107-K135 PolarHBondContact ND1-N 3.26Å; H107-L138 HydrophobicContact CB-CB 4.32Å |
| 108 | I | 98 | Very high | 96.5 | Very high | 115 Ų | 115 | 38.2 Ų | 38.2 | 59% | 0.59 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -72 | -47.8 | 176.3 | -56.6 | 176.3 | 0 | 0 | 0 | 109.3 | D105 A106 A110 S111 | D105-I108 HydrophobicContact CB-CD1 4.25Å; D105-I108 WeakPolarHBondContact O-CB 3.06Å; D105-I108 PolarHBondContact O-N 3.05Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.94Å; I108-A110 VanDerWaalsContact C-N 3.33Å; I108-A110 PolarHBondContact O-N 3.42Å; I108-S111 PolarHBondContact O-N 2.84Å |
| 109 | L | 97.2 | Very high | 96.6 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -35.9 | 179.4 | -63.2 | 176 | 0 | 0 | 0 | 112.6 | S58 D105 A106 | S58-L109 VanDerWaalsContact O-CD1 3.27Å; S58-L109 WeakPolarHBondContact O-CD1 3.32Å; D105-L109 PolarHBondContact O-N 2.87Å; A106-L109 PolarHBondContact O-N 3.49Å |
| 110 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -80.5 | -30.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | A57 A106 I108 G112 R113 L114 F132 L138 | A57-A110 HydrophobicContact CB-CB 4.27Å; A106-A110 WeakPolarHBondContact O-CB 3.42Å; A106-A110 PolarHBondContact O-N 2.59Å; I108-A110 VanDerWaalsContact C-N 3.33Å; I108-A110 PolarHBondContact O-N 3.42Å; A110-G112 PolarHBondContact O-N 3.24Å; A110-R113 PolarHBondContact O-N 3.37Å; A110-R113 VanDerWaalsContact O-N 3.1Å; A110-L114 HydrophobicContact CB-CB 3.94Å; A110-L114 HydrophobicContact CB-CD2 4.06Å; A110-L114 WeakPolarHBondContact O-CB 3.28Å; A110-L114 PolarHBondContact O-N 2.76Å; A110-F132 HydrophobicContact CB-CD2 4.27Å; A110-F132 HydrophobicContact CB-CE2 4.36Å; A110-L138 HydrophobicContact CB-CD1 4.4Å; A110-L138 HydrophobicContact CB-CD2 4.11Å |
| 111 | S | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.4 | -176.9 | -73 | 0 | 0 | 0 | 0 | 112.1 | H107 I108 R113 S130 F132 | H107-S111 VanDerWaalsContact O-CB 3.22Å; H107-S111 WeakPolarHBondContact O-CB 3.45Å; H107-S111 PolarHBondContact O-N 3.48Å; H107-S111 PolarHBondContact O-OG 2.86Å; I108-S111 PolarHBondContact O-N 2.84Å; S111-R113 PolarHBondContact O-N 3.48Å; S111-R113 VanDerWaalsContact O-N 3.11Å; S111-S130 WeakPolarHBondContact CA-O 3.46Å; S111-F132 PolarHBondContact OG-N 3.36Å; S111-F132 PolarHBondContact OG-O 2.88Å |
| 112 | G | 94.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -24.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R42 A110 S130 | R42-G112 PolarHBondContact NH1-O 2.93Å; A110-G112 PolarHBondContact O-N 3.24Å; G112-S130 PolarHBondContact N-O 3.11Å |
| 113 | R | 95.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -45.6 | -177.6 | -169.5 | -175.4 | -176.8 | 121 | 10.1 | 113 | V37 K38 R42 L43 A110 S111 | V37-R113 PolarHBondContact O-NH2 2.82Å; K38-R113 VanDerWaalsContact C-NH2 3.29Å; K38-R113 PolarHBondContact O-NH2 3.48Å; R42-R113 CarbonylContact C-O 3.57Å; R42-R113 VanDerWaalsContact CA-O 3.24Å; R42-R113 WeakPolarHBondContact CA-O 3.29Å; L43-R113 PolarHBondContact N-O 3.5Å; A110-R113 PolarHBondContact O-N 3.37Å; A110-R113 VanDerWaalsContact O-N 3.1Å; S111-R113 PolarHBondContact O-N 3.48Å; S111-R113 VanDerWaalsContact O-N 3.11Å |
| 114 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139 | 177.4 | 179.1 | 66.3 | 0 | 0 | 0 | 109.9 | L43 A53 A57 A110 V116 S130 F132 L138 | L43-L114 CarbonylContact O-C 3.56Å; L43-L114 WeakPolarHBondContact O-CA 3.4Å; A53-L114 HydrophobicContact CB-CD1 3.62Å; A57-L114 HydrophobicContact CB-CB 3.9Å; A57-L114 HydrophobicContact CB-CD1 4.47Å; A110-L114 HydrophobicContact CB-CB 3.94Å; A110-L114 HydrophobicContact CB-CD2 4.06Å; A110-L114 WeakPolarHBondContact O-CB 3.28Å; A110-L114 PolarHBondContact O-N 2.76Å; L114-V116 HydrophobicContact CD1-CG2 4.36Å; L114-V116 HydrophobicContact CD2-CG2 3.75Å; L114-V116 HydrophobicContact CG-CG2 3.83Å; L114-S130 WeakPolarHBondContact O-CA 3.39Å; L114-S130 VanDerWaalsContact O-CB 3.24Å; L114-S130 WeakPolarHBondContact O-CB 3.45Å; L114-F132 HydrophobicContact CB-CE2 4.23Å; L114-F132 HydrophobicContact CD2-CE2 4.04Å; L114-F132 HydrophobicContact CD2-CZ 4.13Å; L114-F132 HydrophobicContact CG-CE2 4.39Å; L114-L138 HydrophobicContact CD2-CD1 3.61Å |
| 115 | C | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 110.2 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 109.1 | L43 Y44 G45 V129 | L43-C115 PolarHBondContact O-N 2.79Å; Y44-C115 WeakPolarHBondContact CA-O 3.25Å; Y44-C115 HydrophobicContact CD1-CB 3.21Å; Y44-C115 HydrophobicContact CE1-CB 3.4Å; Y44-C115 VanDerWaalsContact CE1-CB 3.4Å; Y44-C115 HydrophobicContact CG-CB 3.99Å; G45-C115 PolarHBondContact N-O 2.93Å; C115-V129 WeakPolarHBondContact CA-O 3.42Å |
| 116 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.4 | -176.8 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | A50 L114 L118 L128 V129 F132 L142 S145 | A50-V116 HydrophobicContact CB-CG1 4.08Å; L114-V116 HydrophobicContact CD1-CG2 4.36Å; L114-V116 HydrophobicContact CD2-CG2 3.75Å; L114-V116 HydrophobicContact CG-CG2 3.83Å; V116-L118 HydrophobicContact CG1-CD2 4Å; V116-L118 HydrophobicContact CG1-CG 4.46Å; V116-L128 WeakPolarHBondContact O-CA 3.35Å; V116-V129 PolarHBondContact N-O 3.45Å; V116-V129 PolarHBondContact O-N 2.87Å; V116-F132 HydrophobicContact CG2-CZ 4Å; V116-L142 HydrophobicContact CG2-CD2 4.02Å; V116-S145 VanDerWaalsContact CG1-CB 3.47Å |
| 117 | S | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.1 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | G45 N126 S145 G167 D171 | G45-S117 PolarHBondContact O-N 3.35Å; S117-N126 PolarHBondContact OG-ND2 3.04Å; S117-S145 WeakPolarHBondContact O-CB 3.44Å; S117-S145 PolarHBondContact O-OG 3.1Å; S117-G167 VanDerWaalsContact O-CA 3.26Å; S117-G167 WeakPolarHBondContact O-CA 3.49Å; S117-G167 WeakPolarHBondContact OG-CA 3.49Å; S117-G167 PolarHBondContact OG-O 3.46Å; S117-D171 PolarHBondContact OG-O 2.9Å |
| 118 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.5 | 176.2 | -57.3 | -178.1 | 0 | 0 | 0 | 109.6 | V116 N126 V127 V129 A141 C144 S145 F159 Y164 | V116-L118 HydrophobicContact CG1-CD2 4Å; V116-L118 HydrophobicContact CG1-CG 4.46Å; L118-N126 CarbonylContact O-C 2.88Å; L118-N126 WeakPolarHBondContact O-CA 3.26Å; L118-N126 PolarHBondContact O-ND2 3.23Å; L118-V127 PolarHBondContact N-O 2.84Å; L118-V127 PolarHBondContact O-N 3.37Å; L118-V129 HydrophobicContact CD1-CB 4.48Å; L118-V129 HydrophobicContact CD1-CG2 3.53Å; L118-V129 HydrophobicContact CG-CG2 4.26Å; L118-A141 WeakPolarHBondContact CD2-O 3.47Å; L118-C144 HydrophobicContact CD1-CB 4.47Å; L118-C144 HydrophobicContact CD2-CB 3.69Å; L118-S145 VanDerWaalsContact CD2-N 3.29Å; L118-F159 HydrophobicContact CD1-CD1 4.43Å; L118-Y164 HydrophobicContact CB-CD1 3.61Å; L118-Y164 HydrophobicContact CB-CE1 4.24Å; L118-Y164 HydrophobicContact CB-CG 4.12Å; L118-Y164 HydrophobicContact CD1-CD1 4.07Å; L118-Y164 HydrophobicContact CD1-CD2 4.31Å; L118-Y164 HydrophobicContact CD1-CE1 4.39Å; L118-Y164 HydrophobicContact CD1-CG 4.02Å; L118-Y164 HydrophobicContact CG-CD1 4.47Å |
| 119 | T | 97.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119 | 171.5 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | Y164 V165 D166 G167 I169 S170 | T119-Y164 CarbonylContact O-C 3.57Å; T119-Y164 VanDerWaalsContact O-CA 3.29Å; T119-Y164 WeakPolarHBondContact O-CA 3.29Å; T119-V165 HydrophobicContact CG2-CG2 4.02Å; T119-V165 PolarHBondContact N-O 3.22Å; T119-V165 VanDerWaalsContact N-O 3.08Å; T119-V165 PolarHBondContact O-N 2.75Å; T119-D166 WeakPolarHBondContact CB-O 3.41Å; T119-D166 PolarHBondContact OG1-O 2.94Å; T119-G167 PolarHBondContact OG1-O 2.8Å; T119-I169 HydrophobicContact CG2-CB 4.36Å; T119-I169 HydrophobicContact CG2-CG2 4.26Å; T119-S170 WeakPolarHBondContact CB-OG 3.4Å; T119-S170 WeakPolarHBondContact OG1-CB 3.01Å; T119-S170 PolarHBondContact OG1-N 3.42Å; T119-S170 PolarHBondContact OG1-OG 2.71Å |
| 120 | R | 96.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 36.9 Ų | 36.9 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133.1 | 179.4 | -172.1 | -174.8 | -59.8 | 154.1 | 0.5 | 110.2 | S122 D123 G124 E125 V127 V162 Y164 | R120-S122 WeakPolarHBondContact CD-OG 3.46Å; R120-S122 WeakPolarHBondContact CG-OG 3.48Å; R120-S122 PolarHBondContact O-N 3.32Å; R120-D123 WeakPolarHBondContact CB-OD1 3.42Å; R120-D123 WeakPolarHBondContact CD-OD1 3.18Å; R120-D123 IonicContact CZ-OD2 3.66Å; R120-D123 IonicContact NH1-OD2 3.04Å; R120-D123 PolarHBondContact NH1-OD2 3.27Å; R120-G124 WeakPolarHBondContact O-CA 3.48Å; R120-G124 PolarHBondContact O-N 3.36Å; R120-E125 PolarHBondContact N-O 2.93Å; R120-V127 HydrophobicContact CB-CG2 4.36Å; R120-V127 VanDerWaalsContact NH2-CG2 3.35Å; R120-V162 HydrophobicContact CG-CG1 3.72Å; R120-Y164 HydrophobicContact CB-CD1 3.99Å; R120-Y164 HydrophobicContact CB-CE1 3.73Å; R120-Y164 HydrophobicContact CG-CD1 4.42Å; R120-Y164 HydrophobicContact CG-CE1 3.98Å |
| 121 | V | 94.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -31.3 | -173.1 | 175 | 0 | 0 | 0 | 0 | 113.2 | P156 R163 V165 W380 | V121-P156 HydrophobicContact CG2-CB 4.14Å; V121-P156 HydrophobicContact CG2-CG 4.06Å; V121-R163 HydrophobicContact CB-CB 3.98Å; V121-R163 HydrophobicContact CG2-CB 3.88Å; V121-R163 PolarHBondContact N-O 3.5Å; V121-V165 HydrophobicContact CG2-CG1 3.65Å; V121-W380 HydrophobicContact CG1-CZ2 3.9Å |
| 122 | S | 91.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 69% | 0.685 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -36 | -173.2 | 50.1 | 0 | 0 | 0 | 0 | 114 | R120 | R120-S122 WeakPolarHBondContact CD-OG 3.46Å; R120-S122 WeakPolarHBondContact CG-OG 3.48Å; R120-S122 PolarHBondContact O-N 3.32Å |
| 123 | D | 92.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -13.2 | -172.2 | 49.5 | 17.1 | 0 | 0 | 0 | 112.7 | R120 E125 | R120-D123 WeakPolarHBondContact CB-OD1 3.42Å; R120-D123 WeakPolarHBondContact CD-OD1 3.18Å; R120-D123 IonicContact CZ-OD2 3.66Å; R120-D123 IonicContact NH1-OD2 3.04Å; R120-D123 PolarHBondContact NH1-OD2 3.27Å; D123-E125 HydrophobicContact CB-CG 4.03Å; D123-E125 PolarHBondContact O-N 2.71Å; D123-E125 WeakPolarHBondContact OD1-CB 3.34Å; D123-E125 PolarHBondContact OD1-N 3.45Å; D123-E125 VanDerWaalsContact OD1-N 3.1Å |
| 124 | G | 91.9 | Very high | 96.2 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | trans | 78.4 | 3.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R120 | R120-G124 WeakPolarHBondContact O-CA 3.48Å; R120-G124 PolarHBondContact O-N 3.36Å | ||
| 125 | E | 95 | Very high | 96.2 | Very high | 123 Ų | 123 | 44.6 Ų | 44.6 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | trans | -75.2 | 148.8 | -174.6 | -69.9 | -66.5 | 142.3 | 0 | 0 | 111.8 | R120 D123 | R120-E125 PolarHBondContact N-O 2.93Å; D123-E125 HydrophobicContact CB-CG 4.03Å; D123-E125 PolarHBondContact O-N 2.71Å; D123-E125 WeakPolarHBondContact OD1-CB 3.34Å; D123-E125 PolarHBondContact OD1-N 3.45Å; D123-E125 VanDerWaalsContact OD1-N 3.1Å | ||
| 126 | N | 96.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.2 | 174.2 | -169.2 | -98.4 | 0 | 0 | 0 | 111.4 | S117 L118 S170 D171 | S117-N126 PolarHBondContact OG-ND2 3.04Å; L118-N126 CarbonylContact O-C 2.88Å; L118-N126 WeakPolarHBondContact O-CA 3.26Å; L118-N126 PolarHBondContact O-ND2 3.23Å; N126-S170 WeakPolarHBondContact CB-OG 3.41Å; N126-S170 PolarHBondContact ND2-OG 3.22Å; N126-D171 HydrophobicContact CB-CB 4.22Å; N126-D171 WeakPolarHBondContact ND2-CB 3.44Å |
| 127 | V | 95.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 118 | 172.9 | -177 | 0 | 0 | 0 | 0 | 109.2 | L118 R120 V129 Y164 | L118-V127 PolarHBondContact N-O 2.84Å; L118-V127 PolarHBondContact O-N 3.37Å; R120-V127 HydrophobicContact CB-CG2 4.36Å; R120-V127 VanDerWaalsContact NH2-CG2 3.35Å; V127-V129 HydrophobicContact CG1-CG2 4.12Å; V127-Y164 HydrophobicContact CB-CE1 4.1Å; V127-Y164 HydrophobicContact CG2-CE1 3.9Å |
| 128 | L | 96.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 108.2 | 171.3 | -66.1 | -178.2 | 0 | 0 | 0 | 110.6 | Y44 V116 P174 | Y44-L128 HydrophobicContact CD1-CD1 4.42Å; Y44-L128 HydrophobicContact CE1-CD1 4.21Å; V116-L128 WeakPolarHBondContact O-CA 3.35Å; L128-P174 HydrophobicContact CD2-CB 3.71Å |
| 129 | V | 96.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.085 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.8 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | C115 V116 L118 V127 F132 F159 | C115-V129 WeakPolarHBondContact CA-O 3.42Å; V116-V129 PolarHBondContact N-O 3.45Å; V116-V129 PolarHBondContact O-N 2.87Å; L118-V129 HydrophobicContact CD1-CB 4.48Å; L118-V129 HydrophobicContact CD1-CG2 3.53Å; L118-V129 HydrophobicContact CG-CG2 4.26Å; V127-V129 HydrophobicContact CG1-CG2 4.12Å; V129-F132 HydrophobicContact CG1-CD1 4.36Å; V129-F132 HydrophobicContact CG1-CE1 3.7Å; V129-F132 HydrophobicContact CG1-CZ 4.19Å; V129-F159 HydrophobicContact CG1-CE1 3.87Å; V129-F159 HydrophobicContact CG1-CZ 3.79Å; V129-F159 HydrophobicContact CG2-CD1 4.47Å; V129-F159 HydrophobicContact CG2-CE1 3.96Å |
| 130 | S | 96.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -129.2 | 0.2 | -179.3 | 63 | 0 | 0 | 0 | 0 | 115.4 | S111 G112 L114 | S111-S130 WeakPolarHBondContact CA-O 3.46Å; G112-S130 PolarHBondContact N-O 3.11Å; L114-S130 WeakPolarHBondContact O-CA 3.39Å; L114-S130 VanDerWaalsContact O-CB 3.24Å; L114-S130 WeakPolarHBondContact O-CB 3.45Å | ||
| 131 | Q | 97.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | trans | -124.7 | 129.5 | -178.1 | -63.1 | -61.9 | -28.5 | 0 | 0 | 109.7 | ||||
| 132 | F | 97.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | trans | -133.8 | 120.3 | -175.3 | -47.7 | -77.4 | 0 | 0 | 0 | 109.7 | H107 A110 S111 L114 V116 V129 L138 A141 | H107-F132 HydrophobicContact CB-CB 3.98Å; A110-F132 HydrophobicContact CB-CD2 4.27Å; A110-F132 HydrophobicContact CB-CE2 4.36Å; S111-F132 PolarHBondContact OG-N 3.36Å; S111-F132 PolarHBondContact OG-O 2.88Å; L114-F132 HydrophobicContact CB-CE2 4.23Å; L114-F132 HydrophobicContact CD2-CE2 4.04Å; L114-F132 HydrophobicContact CD2-CZ 4.13Å; L114-F132 HydrophobicContact CG-CE2 4.39Å; V116-F132 HydrophobicContact CG2-CZ 4Å; V129-F132 HydrophobicContact CG1-CD1 4.36Å; V129-F132 HydrophobicContact CG1-CE1 3.7Å; V129-F132 HydrophobicContact CG1-CZ 4.19Å; F132-L138 HydrophobicContact CB-CB 4.14Å; F132-L138 HydrophobicContact CD1-CB 4.03Å; F132-L138 HydrophobicContact CD1-CD1 4.01Å; F132-L138 HydrophobicContact CD2-CD1 4.01Å; F132-L138 HydrophobicContact CE1-CD1 3.88Å; F132-L138 HydrophobicContact CE2-CD1 3.9Å; F132-L138 HydrophobicContact CG-CB 4.01Å; F132-L138 HydrophobicContact CG-CD1 4.07Å; F132-L138 HydrophobicContact CZ-CD1 3.83Å; F132-A141 HydrophobicContact CD1-CB 4.39Å; F132-A141 HydrophobicContact CE1-CB 3.73Å | ||
| 133 | S | 96.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 41.6 Ų | 41.6 | 69% | 0.685 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -84 | -20.6 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | H107 E137 | H107-S133 PolarHBondContact CD2-O 3.41Å; S133-E137 WeakPolarHBondContact CA-OE2 3.43Å; S133-E137 VanDerWaalsContact CB-OE2 3.22Å; S133-E137 WeakPolarHBondContact CB-OE2 3.31Å; S133-E137 PolarHBondContact N-OE2 3.41Å; S133-E137 PolarHBondContact OG-OE2 3.14Å |
| 134 | S | 98.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -146.4 | 165.9 | 176.3 | 93.8 | 0 | 0 | 0 | 0 | 112.4 | H107 E136 E137 L138 | H107-S134 VanDerWaalsContact CB-O 3.24Å; H107-S134 WeakPolarHBondContact CB-O 3.36Å; S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.43Å; S134-E136 PolarHBondContact O-N 3.23Å; S134-E136 PolarHBondContact OG-N 3.25Å; S134-E136 PolarHBondContact OG-OE2 3.13Å; S134-E137 PolarHBondContact O-N 3.02Å; S134-E137 PolarHBondContact OG-N 3.43Å; S134-L138 PolarHBondContact O-N 2.82Å; S134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | K | 97.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 36 Ų | 36 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 174.1 | 176.1 | 176.6 | 168.5 | 172.2 | 0 | 111 | N99 L102 H107 E137 L138 I139 | N99-K135 PolarHBondContact O-NZ 3.42Å; L102-K135 PolarHBondContact O-NZ 2.91Å; H107-K135 PolarHBondContact ND1-N 3.26Å; K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.32Å; K135-L138 WeakPolarHBondContact O-CB 3.28Å; K135-L138 PolarHBondContact O-N 3.18Å; K135-I139 HydrophobicContact CD-CD1 4.49Å; K135-I139 HydrophobicContact CG-CD1 3.87Å; K135-I139 HydrophobicContact CG-CG1 4.44Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.46Å; K135-I139 PolarHBondContact O-N 2.95Å |
| 136 | E | 97.2 | Very high | 97.2 | Very high | 106 Ų | 106 | 30.7 Ų | 30.7 | 50% | 0.495 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 179 | -60.7 | 65 | -139.2 | 0 | 0 | 111 | S134 I139 Q140 | S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.43Å; S134-E136 PolarHBondContact O-N 3.23Å; S134-E136 PolarHBondContact OG-N 3.25Å; S134-E136 PolarHBondContact OG-OE2 3.13Å; E136-I139 PolarHBondContact O-N 3.27Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.19Å; E136-Q140 PolarHBondContact O-N 3.17Å |
| 137 | E | 97.4 | Very high | 97.1 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 13% | 0.126 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 174.7 | -172.8 | -177.6 | 164.3 | 0 | 0 | 111.4 | S133 S134 K135 I139 Q140 A141 F159 K160 | S133-E137 WeakPolarHBondContact CA-OE2 3.43Å; S133-E137 VanDerWaalsContact CB-OE2 3.22Å; S133-E137 WeakPolarHBondContact CB-OE2 3.31Å; S133-E137 PolarHBondContact N-OE2 3.41Å; S133-E137 PolarHBondContact OG-OE2 3.14Å; S134-E137 PolarHBondContact O-N 3.02Å; S134-E137 PolarHBondContact OG-N 3.43Å; K135-E137 VanDerWaalsContact C-N 3.32Å; K135-E137 PolarHBondContact O-N 3.32Å; E137-I139 PolarHBondContact O-N 3.25Å; E137-Q140 PolarHBondContact O-N 3.32Å; E137-A141 PolarHBondContact O-N 3.05Å; E137-F159 HydrophobicContact CG-CE2 3.46Å; E137-F159 VanDerWaalsContact CG-CE2 3.46Å; E137-F159 HydrophobicContact CG-CZ 3.85Å; E137-F159 WeakPolarHBondContact O-CE2 3.35Å; E137-K160 WeakPolarHBondContact OE1-CE 3.41Å; E137-K160 IonicContact OE1-NZ 2.69Å; E137-K160 PolarHBondContact OE1-NZ 2.69Å |
| 138 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 173.3 | 171.1 | 61.3 | 0 | 0 | 0 | 111.4 | L102 A106 H107 A110 L114 F132 S134 K135 Q140 A141 L142 | L102-L138 HydrophobicContact CD1-CD2 4.23Å; A106-L138 HydrophobicContact CB-CD2 3.97Å; H107-L138 HydrophobicContact CB-CB 4.32Å; A110-L138 HydrophobicContact CB-CD1 4.4Å; A110-L138 HydrophobicContact CB-CD2 4.11Å; L114-L138 HydrophobicContact CD2-CD1 3.61Å; F132-L138 HydrophobicContact CB-CB 4.14Å; F132-L138 HydrophobicContact CD1-CB 4.03Å; F132-L138 HydrophobicContact CD1-CD1 4.01Å; F132-L138 HydrophobicContact CD2-CD1 4.01Å; F132-L138 HydrophobicContact CE1-CD1 3.88Å; F132-L138 HydrophobicContact CE2-CD1 3.9Å; F132-L138 HydrophobicContact CG-CB 4.01Å; F132-L138 HydrophobicContact CG-CD1 4.07Å; F132-L138 HydrophobicContact CZ-CD1 3.83Å; S134-L138 PolarHBondContact O-N 2.82Å; S134-L138 VanDerWaalsContact O-N 3.08Å; K135-L138 WeakPolarHBondContact O-CB 3.28Å; K135-L138 PolarHBondContact O-N 3.18Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.05Å; L138-A141 PolarHBondContact O-N 3.42Å; L138-L142 HydrophobicContact CD1-CD1 4.15Å; L138-L142 HydrophobicContact CD1-CG 4.28Å; L138-L142 HydrophobicContact CG-CD1 4.23Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 3.4Å |
| 139 | I | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 177.7 | -68.4 | 170.7 | 0 | 0 | 0 | 110.5 | R95 L98 N99 L102 K135 E136 E137 A141 L142 V143 | R95-I139 HydrophobicContact CG-CG2 3.94Å; L98-I139 HydrophobicContact CB-CD1 4.37Å; L98-I139 HydrophobicContact CB-CG1 4.06Å; L98-I139 HydrophobicContact CB-CG2 4.25Å; L98-I139 HydrophobicContact CD1-CG2 4.25Å; N99-I139 HydrophobicContact CB-CD1 4.1Å; L102-I139 HydrophobicContact CD1-CG1 4.01Å; K135-I139 HydrophobicContact CD-CD1 4.49Å; K135-I139 HydrophobicContact CG-CD1 3.87Å; K135-I139 HydrophobicContact CG-CG1 4.44Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.46Å; K135-I139 PolarHBondContact O-N 2.95Å; E136-I139 PolarHBondContact O-N 3.27Å; E137-I139 PolarHBondContact O-N 3.25Å; I139-A141 PolarHBondContact O-N 3.16Å; I139-L142 PolarHBondContact O-N 2.91Å; I139-V143 HydrophobicContact CG2-CG2 4.25Å; I139-V143 WeakPolarHBondContact O-CB 3.37Å; I139-V143 VanDerWaalsContact O-CG2 3.31Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.47Å |
| 140 | Q | 97.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.8 | -171.6 | 64.5 | 15.7 | 0 | 0 | 111.8 | R95 E136 E137 L138 V143 C144 S158 F159 | R95-Q140 VanDerWaalsContact CZ-OE1 3.26Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.19Å; E136-Q140 PolarHBondContact O-N 3.17Å; E137-Q140 PolarHBondContact O-N 3.32Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.05Å; Q140-V143 PolarHBondContact O-N 2.85Å; Q140-C144 PolarHBondContact O-N 3.02Å; Q140-C144 PolarHBondContact O-SG 2.89Å; Q140-S158 WeakPolarHBondContact CG-O 3.22Å; Q140-S158 PolarHBondContact NE2-O 3.31Å; Q140-F159 HydrophobicContact CB-CD2 4.22Å; Q140-F159 HydrophobicContact CG-CD2 4.09Å |
| 141 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L118 F132 E137 L138 I139 V143 C144 S145 F159 | L118-A141 WeakPolarHBondContact CD2-O 3.47Å; F132-A141 HydrophobicContact CD1-CB 4.39Å; F132-A141 HydrophobicContact CE1-CB 3.73Å; E137-A141 PolarHBondContact O-N 3.05Å; L138-A141 PolarHBondContact O-N 3.42Å; I139-A141 PolarHBondContact O-N 3.16Å; A141-V143 PolarHBondContact O-N 2.94Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 3.34Å; A141-S145 PolarHBondContact O-N 3.32Å; A141-F159 HydrophobicContact CB-CD2 4.12Å; A141-F159 HydrophobicContact CB-CE2 3.78Å; A141-F159 HydrophobicContact CB-CZ 4.26Å |
| 142 | L | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 177 | -67.1 | 171.9 | 0 | 0 | 0 | 112.1 | A50 L51 S54 L98 L102 V116 L138 I139 C144 S145 C146 | A50-L142 HydrophobicContact CB-CD2 3.96Å; L51-L142 HydrophobicContact CD2-CB 4.04Å; L51-L142 HydrophobicContact CD2-CD1 4.45Å; L51-L142 HydrophobicContact CD2-CD2 4.34Å; S54-L142 WeakPolarHBondContact OG-CD1 3.45Å; L98-L142 HydrophobicContact CD1-CB 3.99Å; L98-L142 HydrophobicContact CD1-CD1 4.14Å; L98-L142 HydrophobicContact CD2-CD1 4.17Å; L102-L142 HydrophobicContact CD1-CD1 4.35Å; V116-L142 HydrophobicContact CG2-CD2 4.02Å; L138-L142 HydrophobicContact CD1-CD1 4.15Å; L138-L142 HydrophobicContact CD1-CG 4.28Å; L138-L142 HydrophobicContact CG-CD1 4.23Å; L138-L142 WeakPolarHBondContact O-CG 3.4Å; L138-L142 PolarHBondContact O-N 3.4Å; I139-L142 PolarHBondContact O-N 2.91Å; L142-C144 VanDerWaalsContact C-N 3.35Å; L142-C144 PolarHBondContact O-N 3.2Å; L142-S145 PolarHBondContact O-N 2.77Å; L142-C146 PolarHBondContact O-N 2.89Å; L142-C146 PolarHBondContact O-SG 3.03Å; L142-C146 VanDerWaalsContact O-SG 3.42Å |
| 143 | V | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.2 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | V91 L94 R95 I139 Q140 A141 S145 C146 F147 P157 | V91-V143 HydrophobicContact CG1-CG1 3.71Å; L94-V143 HydrophobicContact CD2-CG2 4.36Å; R95-V143 HydrophobicContact CB-CG2 4.38Å; I139-V143 HydrophobicContact CG2-CG2 4.25Å; I139-V143 WeakPolarHBondContact O-CB 3.37Å; I139-V143 VanDerWaalsContact O-CG2 3.31Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.47Å; Q140-V143 PolarHBondContact O-N 2.85Å; A141-V143 PolarHBondContact O-N 2.94Å; V143-S145 VanDerWaalsContact C-N 3.34Å; V143-C146 PolarHBondContact O-N 3.05Å; V143-F147 PolarHBondContact O-N 2.77Å; V143-P157 HydrophobicContact CG1-CB 4.44Å; V143-P157 HydrophobicContact CG1-CG 4.34Å |
| 144 | C | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.6 | -67 | 0 | 0 | 0 | 0 | 111.4 | L118 Q140 A141 L142 C146 F147 P157 V165 D166 | L118-C144 HydrophobicContact CD1-CB 4.47Å; L118-C144 HydrophobicContact CD2-CB 3.69Å; Q140-C144 PolarHBondContact O-N 3.02Å; Q140-C144 PolarHBondContact O-SG 2.89Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 3.34Å; L142-C144 VanDerWaalsContact C-N 3.35Å; L142-C144 PolarHBondContact O-N 3.2Å; C144-C146 PolarHBondContact O-N 3.01Å; C144-F147 PolarHBondContact O-N 3.42Å; C144-F147 VanDerWaalsContact O-N 3.14Å; C144-P157 HydrophobicContact CB-CG 4.26Å; C144-V165 CarbonylContact O-C 3.59Å; C144-V165 VanDerWaalsContact O-C 3.23Å; C144-D166 PolarHBondContact O-N 3.27Å |
| 145 | S | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -24.2 | 179.9 | -163.7 | 0 | 0 | 0 | 0 | 113.5 | S47 V116 S117 L118 A141 L142 V143 D166 G167 | S47-S145 WeakPolarHBondContact CA-O 3.31Å; S47-S145 PolarHBondContact N-O 3.01Å; S47-S145 PolarHBondContact N-OG 2.77Å; V116-S145 VanDerWaalsContact CG1-CB 3.47Å; S117-S145 WeakPolarHBondContact O-CB 3.44Å; S117-S145 PolarHBondContact O-OG 3.1Å; L118-S145 VanDerWaalsContact CD2-N 3.29Å; A141-S145 PolarHBondContact O-N 3.32Å; L142-S145 PolarHBondContact O-N 2.77Å; V143-S145 VanDerWaalsContact C-N 3.34Å; S145-D166 VanDerWaalsContact O-CA 3.22Å; S145-D166 WeakPolarHBondContact O-CA 3.45Å; S145-G167 PolarHBondContact O-N 3.14Å |
| 146 | C | 95.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 8% | 0.081 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.2 | 177.1 | -65.1 | 0 | 0 | 0 | 0 | 114.1 | S47 L94 L142 V143 C144 I148 | S47-C146 VanDerWaalsContact C-SG 3.54Å; L94-C146 HydrophobicContact CD2-CB 3.66Å; L142-C146 PolarHBondContact O-N 2.89Å; L142-C146 PolarHBondContact O-SG 3.03Å; L142-C146 VanDerWaalsContact O-SG 3.42Å; V143-C146 PolarHBondContact O-N 3.05Å; C144-C146 PolarHBondContact O-N 3.01Å; C146-I148 PolarHBondContact O-N 3.29Å; C146-I148 VanDerWaalsContact O-N 3.1Å |
| 147 | F | 94.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -81.2 | 94.2 | -175 | -175 | -89.7 | 0 | 0 | 0 | 111.2 | V91 V143 C144 P149 C152 G153 I155 P156 P157 V165 D166 | V91-F147 HydrophobicContact CG2-CD2 3.81Å; V91-F147 HydrophobicContact CG2-CE2 4.25Å; V143-F147 PolarHBondContact O-N 2.77Å; C144-F147 PolarHBondContact O-N 3.42Å; C144-F147 VanDerWaalsContact O-N 3.14Å; F147-P149 WeakPolarHBondContact O-CD 3.19Å; F147-C152 HydrophobicContact CD2-CB 3.53Å; F147-C152 HydrophobicContact CE2-CB 3.63Å; F147-C152 HydrophobicContact CG-CB 4.19Å; F147-C152 HydrophobicContact CZ-CB 4.34Å; F147-G153 WeakPolarHBondContact CZ-O 3.41Å; F147-I155 VanDerWaalsContact CZ-O 3.31Å; F147-I155 WeakPolarHBondContact CZ-O 3.29Å; F147-P156 HydrophobicContact CD1-CB 4.17Å; F147-P156 HydrophobicContact CE1-CB 3.96Å; F147-P156 HydrophobicContact CE1-CG 4.08Å; F147-P157 HydrophobicContact CB-CG 4Å; F147-P157 HydrophobicContact CD2-CG 4.29Å; F147-P157 VanDerWaalsContact CG-CD 3.41Å; F147-P157 HydrophobicContact CG-CG 4.12Å; F147-V165 HydrophobicContact CD1-CB 4.39Å; F147-V165 HydrophobicContact CD1-CG1 4Å; F147-V165 HydrophobicContact CE1-CG1 4.39Å; F147-D166 WeakPolarHBondContact O-CB 3.07Å; F147-D166 PolarHBondContact O-N 2.82Å | ||
| 148 | I | 90.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | trans | -80.2 | 118.1 | 172.1 | -56.6 | 171.5 | 0 | 0 | 0 | 108.8 | C146 Y151 C152 D166 | C146-I148 PolarHBondContact O-N 3.29Å; C146-I148 VanDerWaalsContact O-N 3.1Å; I148-Y151 HydrophobicContact CB-CD1 4.43Å; I148-Y151 HydrophobicContact CD1-CD1 4.49Å; I148-Y151 PolarHBondContact O-N 3.36Å; I148-C152 PolarHBondContact N-SG 3.09Å; I148-C152 WeakPolarHBondContact O-CB 3.43Å; I148-C152 PolarHBondContact O-N 2.78Å; I148-C152 PolarHBondContact O-SG 3.42Å; I148-D166 HydrophobicContact CG1-CB 4.08Å; I148-D166 WeakPolarHBondContact CG1-OD2 3.4Å | ||
| 149 | P | 86.8 | Confident | 91.4 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -55.2 | 145.7 | 179 | -25.7 | 35.6 | 0 | 0 | 0 | 112.3 | F147 Y151 V165 I169 | F147-P149 WeakPolarHBondContact O-CD 3.19Å; P149-Y151 PolarHBondContact O-N 2.91Å; P149-V165 HydrophobicContact CG-CB 3.94Å; P149-V165 HydrophobicContact CG-CG1 3.73Å; P149-V165 HydrophobicContact CG-CG2 4.41Å; P149-I169 HydrophobicContact CG-CD1 4.18Å |
| 150 | I | 82.8 | Confident | 91.1 | Very high | 149 Ų | 149 | 37.8 Ų | 37.8 | 76% | 0.764 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | -42.1 | -177.4 | -53.4 | 169 | 0 | 0 | 0 | 112.9 | G153 | I150-G153 WeakPolarHBondContact CA-O 3.36Å; I150-G153 PolarHBondContact N-O 3.26Å |
| 151 | Y | 81.4 | Confident | 90.7 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -47.6 | 178.8 | -173.9 | -91.6 | 0 | 0 | 0 | 112.3 | F17 P83 L84 L90 I148 P149 L226 | F17-Y151 WeakPolarHBondContact CE2-OH 3.44Å; P83-Y151 HydrophobicContact CB-CE2 4.12Å; P83-Y151 WeakPolarHBondContact CB-OH 3.46Å; P83-Y151 HydrophobicContact CG-CE2 4.09Å; P83-Y151 VanDerWaalsContact CG-OH 3.28Å; P83-Y151 WeakPolarHBondContact CG-OH 3.37Å; L84-Y151 HydrophobicContact CD2-CD2 3.85Å; L84-Y151 HydrophobicContact CD2-CE2 4.08Å; L90-Y151 HydrophobicContact CD2-CD1 4.46Å; L90-Y151 HydrophobicContact CD2-CE1 4.07Å; I148-Y151 HydrophobicContact CB-CD1 4.43Å; I148-Y151 HydrophobicContact CD1-CD1 4.49Å; I148-Y151 PolarHBondContact O-N 3.36Å; P149-Y151 PolarHBondContact O-N 2.91Å; Y151-L226 PolarHBondContact OH-O 2.87Å |
| 152 | C | 82.9 | Confident | 90.5 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -24.9 | 179.6 | -60 | 0 | 0 | 0 | 0 | 112.9 | V91 F147 I148 | V91-C152 HydrophobicContact CG2-CB 4.21Å; F147-C152 HydrophobicContact CD2-CB 3.53Å; F147-C152 HydrophobicContact CE2-CB 3.63Å; F147-C152 HydrophobicContact CG-CB 4.19Å; F147-C152 HydrophobicContact CZ-CB 4.34Å; I148-C152 PolarHBondContact N-SG 3.09Å; I148-C152 WeakPolarHBondContact O-CB 3.43Å; I148-C152 PolarHBondContact O-N 2.78Å; I148-C152 PolarHBondContact O-SG 3.42Å |
| 153 | G | 83.3 | Confident | 90.4 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | 158 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F147 I150 | F147-G153 WeakPolarHBondContact CZ-O 3.41Å; I150-G153 WeakPolarHBondContact CA-O 3.36Å; I150-G153 PolarHBondContact N-O 3.26Å |
| 154 | L | 80.5 | Confident | 90.4 | Very high | 155 Ų | 155 | 43.5 Ų | 43.5 | 81% | 0.812 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -93 | -37.9 | -179.9 | -64.3 | 177 | 0 | 0 | 0 | 112.8 | P156 | L154-P156 WeakPolarHBondContact O-CD 3.38Š|
| 155 | I | 85.9 | Confident | 90.4 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 30% | 0.303 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -96.2 | 117 | -176.9 | -56.5 | 176 | 0 | 0 | 0 | 108.9 | F147 W370 D377 | F147-I155 VanDerWaalsContact CZ-O 3.31Å; F147-I155 WeakPolarHBondContact CZ-O 3.29Å; I155-W370 HydrophobicContact CD1-CD2 4.49Å; I155-W370 HydrophobicContact CD1-CH2 4.44Å; I155-W370 HydrophobicContact CD1-CZ2 3.67Å; I155-D377 WeakPolarHBondContact CG2-OD2 3.21Å |
| 156 | P | 90.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 145.1 | 176.8 | -19.6 | 33.1 | 0 | 0 | 0 | 112.1 | V121 F147 L154 R163 Y164 V165 | V121-P156 HydrophobicContact CG2-CB 4.14Å; V121-P156 HydrophobicContact CG2-CG 4.06Å; F147-P156 HydrophobicContact CD1-CB 4.17Å; F147-P156 HydrophobicContact CE1-CB 3.96Å; F147-P156 HydrophobicContact CE1-CG 4.08Å; L154-P156 WeakPolarHBondContact O-CD 3.38Å; P156-R163 HydrophobicContact CB-CB 4.5Å; P156-R163 WeakPolarHBondContact O-CD 3.42Å; P156-R163 PolarHBondContact O-NH1 3.13Å; P156-Y164 WeakPolarHBondContact CB-O 3.42Å; P156-V165 HydrophobicContact CB-CG1 3.79Å; P156-V165 HydrophobicContact CG-CG1 3.82Å |
| 157 | P | 92.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 44 Ų | 44 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 156.8 | 174.3 | 28.3 | -35.2 | 0 | 0 | 0 | 112 | V143 C144 F147 Y164 | V143-P157 HydrophobicContact CG1-CB 4.44Å; V143-P157 HydrophobicContact CG1-CG 4.34Å; C144-P157 HydrophobicContact CB-CG 4.26Å; F147-P157 HydrophobicContact CB-CG 4Å; F147-P157 HydrophobicContact CD2-CG 4.29Å; F147-P157 VanDerWaalsContact CG-CD 3.41Å; F147-P157 HydrophobicContact CG-CG 4.12Å; P157-Y164 PolarHBondContact O-N 2.96Å |
| 158 | S | 93.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.4 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | Q140 G161 V162 | Q140-S158 WeakPolarHBondContact CG-O 3.22Å; Q140-S158 PolarHBondContact NE2-O 3.31Å; S158-G161 WeakPolarHBondContact OG-CA 3.41Å; S158-G161 PolarHBondContact OG-N 3.04Å; S158-V162 CarbonylContact C-O 3.6Å; S158-V162 WeakPolarHBondContact CA-O 3.47Å |
| 159 | F | 94.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.7 | 170 | 179.3 | -99.7 | 0 | 0 | 0 | 108.2 | L118 V129 E137 Q140 A141 G161 V162 Y164 | L118-F159 HydrophobicContact CD1-CD1 4.43Å; V129-F159 HydrophobicContact CG1-CE1 3.87Å; V129-F159 HydrophobicContact CG1-CZ 3.79Å; V129-F159 HydrophobicContact CG2-CD1 4.47Å; V129-F159 HydrophobicContact CG2-CE1 3.96Å; E137-F159 HydrophobicContact CG-CE2 3.46Å; E137-F159 VanDerWaalsContact CG-CE2 3.46Å; E137-F159 HydrophobicContact CG-CZ 3.85Å; E137-F159 WeakPolarHBondContact O-CE2 3.35Å; Q140-F159 HydrophobicContact CB-CD2 4.22Å; Q140-F159 HydrophobicContact CG-CD2 4.09Å; A141-F159 HydrophobicContact CB-CD2 4.12Å; A141-F159 HydrophobicContact CB-CE2 3.78Å; A141-F159 HydrophobicContact CB-CZ 4.26Å; F159-G161 PolarHBondContact O-N 2.87Å; F159-V162 PolarHBondContact N-O 2.79Å; F159-V162 PolarHBondContact O-N 3.46Å; F159-Y164 HydrophobicContact CB-CD2 3.7Å; F159-Y164 HydrophobicContact CB-CE2 3.86Å; F159-Y164 HydrophobicContact CD1-CE2 4.2Å; F159-Y164 WeakPolarHBondContact O-CE2 3.48Å |
| 160 | K | 92.2 | Very high | 90.5 | Very high | 144 Ų | 144 | 44.5 Ų | 44.5 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.4 | -174.6 | -62.1 | -177.3 | 175.8 | 169.9 | 0 | 113.8 | E137 V162 | E137-K160 WeakPolarHBondContact OE1-CE 3.41Å; E137-K160 IonicContact OE1-NZ 2.69Å; E137-K160 PolarHBondContact OE1-NZ 2.69Å; K160-V162 VanDerWaalsContact C-N 3.26Å; K160-V162 PolarHBondContact O-N 2.77Å |
| 161 | G | 90.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 70% | 0.701 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -2.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | S158 F159 | S158-G161 WeakPolarHBondContact OG-CA 3.41Å; S158-G161 PolarHBondContact OG-N 3.04Å; F159-G161 PolarHBondContact O-N 2.87Å |
| 162 | V | 93.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 32% | 0.321 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.1 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | R120 S158 F159 K160 Y164 | R120-V162 HydrophobicContact CG-CG1 3.72Å; S158-V162 CarbonylContact C-O 3.6Å; S158-V162 WeakPolarHBondContact CA-O 3.47Å; F159-V162 PolarHBondContact N-O 2.79Å; F159-V162 PolarHBondContact O-N 3.46Å; K160-V162 VanDerWaalsContact C-N 3.26Å; K160-V162 PolarHBondContact O-N 2.77Å; V162-Y164 HydrophobicContact CB-CD2 4.47Å; V162-Y164 HydrophobicContact CB-CE2 3.59Å; V162-Y164 HydrophobicContact CG1-CD2 4.44Å; V162-Y164 HydrophobicContact CG1-CE1 4.33Å; V162-Y164 HydrophobicContact CG1-CE2 3.7Å; V162-Y164 WeakPolarHBondContact O-CD2 3.31Å; V162-Y164 WeakPolarHBondContact O-CE2 3.43Å |
| 163 | R | 94.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.2 | -179.5 | -58.2 | -57.3 | 172.3 | 108.5 | 7.1 | 112.1 | V121 P156 A376 D377 W380 | V121-R163 HydrophobicContact CB-CB 3.98Å; V121-R163 HydrophobicContact CG2-CB 3.88Å; V121-R163 PolarHBondContact N-O 3.5Å; P156-R163 HydrophobicContact CB-CB 4.5Å; P156-R163 WeakPolarHBondContact O-CD 3.42Å; P156-R163 PolarHBondContact O-NH1 3.13Å; R163-A376 PolarHBondContact NH2-O 3.06Å; R163-D377 IonicContact CZ-OD1 3.95Å; R163-D377 IonicContact NH1-OD1 3.98Å; R163-D377 PolarHBondContact NH1-OD1 2.81Å; R163-D377 IonicContact NH1-OD2 2.59Å; R163-D377 IonicContact NH2-OD1 3.01Å; R163-D377 PolarHBondContact NH2-OD1 3.25Å; R163-W380 HydrophobicContact CG-CD2 4.19Å; R163-W380 HydrophobicContact CG-CG 4.24Å; R163-W380 HydrophobicContact CG-CZ2 4.4Å |
| 164 | Y | 96.9 | Very high | 92 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.7 | -179.9 | -63.9 | -84.5 | 0 | 0 | 0 | 111.5 | L118 T119 R120 V127 P156 P157 F159 V162 | L118-Y164 HydrophobicContact CB-CD1 3.61Å; L118-Y164 HydrophobicContact CB-CE1 4.24Å; L118-Y164 HydrophobicContact CB-CG 4.12Å; L118-Y164 HydrophobicContact CD1-CD1 4.07Å; L118-Y164 HydrophobicContact CD1-CD2 4.31Å; L118-Y164 HydrophobicContact CD1-CE1 4.39Å; L118-Y164 HydrophobicContact CD1-CG 4.02Å; L118-Y164 HydrophobicContact CG-CD1 4.47Å; T119-Y164 CarbonylContact O-C 3.57Å; T119-Y164 VanDerWaalsContact O-CA 3.29Å; T119-Y164 WeakPolarHBondContact O-CA 3.29Å; R120-Y164 HydrophobicContact CB-CD1 3.99Å; R120-Y164 HydrophobicContact CB-CE1 3.73Å; R120-Y164 HydrophobicContact CG-CD1 4.42Å; R120-Y164 HydrophobicContact CG-CE1 3.98Å; V127-Y164 HydrophobicContact CB-CE1 4.1Å; V127-Y164 HydrophobicContact CG2-CE1 3.9Å; P156-Y164 WeakPolarHBondContact CB-O 3.42Å; P157-Y164 PolarHBondContact O-N 2.96Å; F159-Y164 HydrophobicContact CB-CD2 3.7Å; F159-Y164 HydrophobicContact CB-CE2 3.86Å; F159-Y164 HydrophobicContact CD1-CE2 4.2Å; F159-Y164 WeakPolarHBondContact O-CE2 3.48Å; V162-Y164 HydrophobicContact CB-CD2 4.47Å; V162-Y164 HydrophobicContact CB-CE2 3.59Å; V162-Y164 HydrophobicContact CG1-CD2 4.44Å; V162-Y164 HydrophobicContact CG1-CE1 4.33Å; V162-Y164 HydrophobicContact CG1-CE2 3.7Å; V162-Y164 WeakPolarHBondContact O-CD2 3.31Å; V162-Y164 WeakPolarHBondContact O-CE2 3.43Å |
| 165 | V | 96.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 178.7 | 171.8 | -60.7 | 0 | 0 | 0 | 0 | 109 | T119 V121 C144 F147 P149 P156 G167 I169 | T119-V165 HydrophobicContact CG2-CG2 4.02Å; T119-V165 PolarHBondContact N-O 3.22Å; T119-V165 VanDerWaalsContact N-O 3.08Å; T119-V165 PolarHBondContact O-N 2.75Å; V121-V165 HydrophobicContact CG2-CG1 3.65Å; C144-V165 CarbonylContact O-C 3.59Å; C144-V165 VanDerWaalsContact O-C 3.23Å; F147-V165 HydrophobicContact CD1-CB 4.39Å; F147-V165 HydrophobicContact CD1-CG1 4Å; F147-V165 HydrophobicContact CE1-CG1 4.39Å; P149-V165 HydrophobicContact CG-CB 3.94Å; P149-V165 HydrophobicContact CG-CG1 3.73Å; P149-V165 HydrophobicContact CG-CG2 4.41Å; P156-V165 HydrophobicContact CB-CG1 3.79Å; P156-V165 HydrophobicContact CG-CG1 3.82Å; V165-G167 PolarHBondContact O-N 2.89Å; V165-I169 HydrophobicContact CB-CD1 4.36Å; V165-I169 HydrophobicContact CG2-CD1 3.84Å |
| 166 | D | 96.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.2 | 128.3 | -175.8 | -168.6 | -53.7 | 0 | 0 | 0 | 111.9 | S47 T119 C144 S145 F147 I148 G168 I169 | S47-D166 WeakPolarHBondContact CB-OD1 3.49Å; S47-D166 WeakPolarHBondContact CB-OD2 3.48Å; S47-D166 PolarHBondContact OG-OD2 3.41Å; T119-D166 WeakPolarHBondContact CB-O 3.41Å; T119-D166 PolarHBondContact OG1-O 2.94Å; C144-D166 PolarHBondContact O-N 3.27Å; S145-D166 VanDerWaalsContact O-CA 3.22Å; S145-D166 WeakPolarHBondContact O-CA 3.45Å; F147-D166 WeakPolarHBondContact O-CB 3.07Å; F147-D166 PolarHBondContact O-N 2.82Å; I148-D166 HydrophobicContact CG1-CB 4.08Å; I148-D166 WeakPolarHBondContact CG1-OD2 3.4Å; D166-G168 PolarHBondContact O-N 2.64Å; D166-G168 WeakPolarHBondContact OD1-CA 3.4Å; D166-G168 PolarHBondContact OD1-N 3.49Å; D166-I169 HydrophobicContact CB-CD1 4.21Å; D166-I169 HydrophobicContact CB-CG1 4.41Å; D166-I169 WeakPolarHBondContact O-CB 3.19Å; D166-I169 PolarHBondContact O-N 2.89Å |
| 167 | G | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -61.8 | -28.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S117 T119 S145 V165 I169 S170 D171 | S117-G167 VanDerWaalsContact O-CA 3.26Å; S117-G167 WeakPolarHBondContact O-CA 3.49Å; S117-G167 WeakPolarHBondContact OG-CA 3.49Å; S117-G167 PolarHBondContact OG-O 3.46Å; T119-G167 PolarHBondContact OG1-O 2.8Å; S145-G167 PolarHBondContact O-N 3.14Å; V165-G167 PolarHBondContact O-N 2.89Å; G167-I169 PolarHBondContact O-N 3.09Å; G167-I169 VanDerWaalsContact O-N 3.1Å; G167-S170 PolarHBondContact O-N 3.03Å; G167-S170 VanDerWaalsContact O-N 3.11Å; G167-S170 PolarHBondContact O-OG 2.98Å; G167-D171 CarbonylContact C-O 3.52Å; G167-D171 CarbonylContact O-C 3.6Å; G167-D171 VanDerWaalsContact O-C 3.31Å; G167-D171 PolarHBondContact O-N 3.42Å; G167-D171 VanDerWaalsContact O-O 3.04Å |
| 168 | G | 91.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -64.8 | -13.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D166 N172 F207 T208 | D166-G168 PolarHBondContact O-N 2.64Å; D166-G168 WeakPolarHBondContact OD1-CA 3.4Å; D166-G168 PolarHBondContact OD1-N 3.49Å; G168-N172 WeakPolarHBondContact CA-OD1 3.28Å; G168-F207 WeakPolarHBondContact O-CE1 3.4Å; G168-T208 WeakPolarHBondContact O-CB 3.5Å; G168-T208 WeakPolarHBondContact O-CG2 3.28Å; G168-T208 PolarHBondContact O-OG1 2.87Å |
| 169 | I | 91.7 | Very high | 87.2 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -72.7 | -30.1 | 175 | -63.9 | 170.6 | 0 | 0 | 0 | 111.9 | T119 P149 V165 D166 G167 T208 | T119-I169 HydrophobicContact CG2-CB 4.36Å; T119-I169 HydrophobicContact CG2-CG2 4.26Å; P149-I169 HydrophobicContact CG-CD1 4.18Å; V165-I169 HydrophobicContact CB-CD1 4.36Å; V165-I169 HydrophobicContact CG2-CD1 3.84Å; D166-I169 HydrophobicContact CB-CD1 4.21Å; D166-I169 HydrophobicContact CB-CG1 4.41Å; D166-I169 WeakPolarHBondContact O-CB 3.19Å; D166-I169 PolarHBondContact O-N 2.89Å; G167-I169 PolarHBondContact O-N 3.09Å; G167-I169 VanDerWaalsContact O-N 3.1Å; I169-T208 WeakPolarHBondContact O-CG2 3.15Å |
| 170 | S | 92.4 | Very high | 86.8 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -43.3 | 179 | 54 | 0 | 0 | 0 | 0 | 112.5 | T119 N126 G167 T208 | T119-S170 WeakPolarHBondContact CB-OG 3.4Å; T119-S170 WeakPolarHBondContact OG1-CB 3.01Å; T119-S170 PolarHBondContact OG1-N 3.42Å; T119-S170 PolarHBondContact OG1-OG 2.71Å; N126-S170 WeakPolarHBondContact CB-OG 3.41Å; N126-S170 PolarHBondContact ND2-OG 3.22Å; G167-S170 PolarHBondContact O-N 3.03Å; G167-S170 VanDerWaalsContact O-N 3.11Å; G167-S170 PolarHBondContact O-OG 2.98Å; S170-T208 WeakPolarHBondContact O-CB 3.47Å; S170-T208 WeakPolarHBondContact O-CG2 3.46Å |
| 171 | D | 92.9 | Very high | 86.8 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | trans | -146.8 | 99.3 | 176.6 | -171.1 | 1.5 | 0 | 0 | 0 | 110.7 | S117 N126 G167 L173 P174 N209 | S117-D171 PolarHBondContact OG-O 2.9Å; N126-D171 HydrophobicContact CB-CB 4.22Å; N126-D171 WeakPolarHBondContact ND2-CB 3.44Å; G167-D171 CarbonylContact C-O 3.52Å; G167-D171 CarbonylContact O-C 3.6Å; G167-D171 VanDerWaalsContact O-C 3.31Å; G167-D171 PolarHBondContact O-N 3.42Å; G167-D171 VanDerWaalsContact O-O 3.04Å; D171-L173 VanDerWaalsContact OD1-C 3.31Å; D171-L173 PolarHBondContact OD1-N 3.47Å; D171-P174 VanDerWaalsContact OD2-CA 3.29Å; D171-P174 WeakPolarHBondContact OD2-CA 3.39Å; D171-N209 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 172 | N | 93.4 | Very high | 86.9 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -84.1 | -25.1 | -176.1 | -169.7 | 65.4 | 0 | 0 | 0 | 113.5 | A13 G14 G168 P174 T208 T210 | A13-N172 CarbonylContact C-O 3.59Å; A13-N172 WeakPolarHBondContact CA-O 3.26Å; G14-N172 WeakPolarHBondContact CA-OD1 3.35Å; G14-N172 PolarHBondContact N-ND2 3.46Å; G14-N172 PolarHBondContact N-O 3.35Å; G14-N172 VanDerWaalsContact N-O 3.09Å; G14-N172 PolarHBondContact N-OD1 2.93Å; G14-N172 PolarHBondContact O-ND2 2.88Å; G14-N172 VanDerWaalsContact O-ND2 3.14Å; G14-N172 PolarHBondContact O-OD1 3.22Å; G168-N172 WeakPolarHBondContact CA-OD1 3.28Å; N172-P174 VanDerWaalsContact C-CD 3.4Å; N172-P174 WeakPolarHBondContact O-CD 3.34Å; N172-T208 WeakPolarHBondContact CB-OG1 3.32Å; N172-T208 PolarHBondContact N-O 3.35Å; N172-T208 PolarHBondContact N-OG1 3.49Å; N172-T210 WeakPolarHBondContact CB-OG1 3.37Å; N172-T210 PolarHBondContact ND2-OG1 3.13Å |
| 173 | L | 90.5 | Very high | 87 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -125.2 | 75.1 | 174.8 | -173.9 | 66.7 | 0 | 0 | 0 | 108.9 | S11 A13 D171 Q175 T183 T208 N209 T210 | S11-L173 WeakPolarHBondContact OG-CD1 3.22Å; A13-L173 HydrophobicContact CB-CD1 4.04Å; D171-L173 VanDerWaalsContact OD1-C 3.31Å; D171-L173 PolarHBondContact OD1-N 3.47Å; L173-Q175 PolarHBondContact O-N 2.64Å; L173-T183 HydrophobicContact CD1-CG2 4.47Å; L173-T183 HydrophobicContact CD2-CG2 3.88Å; L173-T183 HydrophobicContact CG-CG2 4.3Å; L173-T208 PolarHBondContact N-O 2.89Å; L173-N209 PolarHBondContact O-ND2 2.8Å; L173-T210 WeakPolarHBondContact CB-OG1 3.42Å |
| 174 | P | 87 | Confident | 87.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -63.6 | 133.8 | -173 | 21 | -32.6 | 0 | 0 | 0 | 113 | S11 Y44 L128 D171 N172 | S11-P174 VanDerWaalsContact CB-O 3.25Å; S11-P174 WeakPolarHBondContact CB-O 3.22Å; S11-P174 PolarHBondContact OG-O 3.35Å; Y44-P174 WeakPolarHBondContact CB-O 3.38Å; Y44-P174 HydrophobicContact CD1-CB 4.3Å; L128-P174 HydrophobicContact CD2-CB 3.71Å; D171-P174 VanDerWaalsContact OD2-CA 3.29Å; D171-P174 WeakPolarHBondContact OD2-CA 3.39Å; N172-P174 VanDerWaalsContact C-CD 3.4Å; N172-P174 WeakPolarHBondContact O-CD 3.34Å | ||
| 175 | Q | 82.6 | Confident | 87.1 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | trans | -133.4 | 147.8 | -179 | -65.9 | 174.4 | 14.8 | 0 | 0 | 110.1 | L173 T181 | L173-Q175 PolarHBondContact O-N 2.64Å; Q175-T181 HydrophobicContact CG-CG2 4.37Å | ||
| 176 | S | 70.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | trans | -89.7 | 161.8 | 167 | 154.9 | 0 | 0 | 0 | 0 | 110.1 | Y44 L178 | Y44-S176 WeakPolarHBondContact OH-CB 3.14Å; S176-L178 PolarHBondContact O-N 3.1Å; S176-L178 PolarHBondContact OG-N 2.8Å | ||
| 177 | E | 60.8 | Low | 86.7 | Confident | 196 Ų | 196 | 40.5 Ų | 40.5 | 92% | 0.916 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -49.9 | -21.7 | 172.8 | -58.8 | -178.9 | 174.4 | 0 | 0 | 114.1 | K179 | E177-K179 PolarHBondContact O-N 3.25Å; E177-K179 VanDerWaalsContact O-N 3.14Å |
| 178 | L | 59 | Low | 86.5 | Confident | 91 Ų | 91 | 40.6 Ų | 40.6 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | trans | -66.4 | 107.3 | 170.7 | -66.8 | 169.7 | 0 | 0 | 0 | 110.5 | S176 N180 T181 | S176-L178 PolarHBondContact O-N 3.1Å; S176-L178 PolarHBondContact OG-N 2.8Å; L178-N180 PolarHBondContact O-N 3.37Å; L178-T181 PolarHBondContact O-OG1 2.94Å | ||
| 179 | K | 68.3 | Low | 86.3 | Confident | 216 Ų | 216 | 41 Ų | 41 | 94% | 0.939 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -60.5 | -0.4 | 178.8 | -66.5 | -174.6 | 177.9 | -179.1 | 0 | 115.5 | E177 | E177-K179 PolarHBondContact O-N 3.25Å; E177-K179 VanDerWaalsContact O-N 3.14Å |
| 180 | N | 86.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | trans | -106.3 | 66.7 | -176.7 | -161.1 | 39.1 | 0 | 0 | 0 | 111.4 | F2 D3 G7 W8 N9 L178 | F2-N180 WeakPolarHBondContact CD2-OD1 3.41Å; F2-N180 WeakPolarHBondContact CE2-OD1 3.5Å; D3-N180 PolarHBondContact N-OD1 3Å; D3-N180 PolarHBondContact O-ND2 2.71Å; G7-N180 PolarHBondContact O-ND2 3.29Å; W8-N180 VanDerWaalsContact CA-O 3.28Å; W8-N180 WeakPolarHBondContact CA-O 3.15Å; N9-N180 PolarHBondContact N-O 2.88Å; L178-N180 PolarHBondContact O-N 3.37Å | ||
| 181 | T | 91.3 | Very high | 86 | Confident | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.4 | -178.9 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | N9 Q175 L178 T183 | N9-T181 HydrophobicContact CB-CG2 3.98Å; N9-T181 PolarHBondContact ND2-OG1 3.28Å; N9-T181 WeakPolarHBondContact O-CA 3.4Å; Q175-T181 HydrophobicContact CG-CG2 4.37Å; L178-T181 PolarHBondContact O-OG1 2.94Å; T181-T183 PolarHBondContact O-N 3.5Å |
| 182 | I | 93.8 | Very high | 86 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 122.8 | 170.4 | -55.2 | 174.1 | 0 | 0 | 0 | 107.5 | F2 N9 L10 S11 I184 D192 I193 F248 | F2-I182 HydrophobicContact CD2-CG1 4.15Å; F2-I182 HydrophobicContact CE1-CD1 3.98Å; F2-I182 HydrophobicContact CE1-CG1 4.47Å; F2-I182 HydrophobicContact CE2-CD1 3.79Å; F2-I182 HydrophobicContact CE2-CG1 3.35Å; F2-I182 HydrophobicContact CZ-CD1 3.41Å; F2-I182 VanDerWaalsContact CZ-CD1 3.41Å; F2-I182 HydrophobicContact CZ-CG1 3.52Å; N9-I182 PolarHBondContact O-N 2.86Å; L10-I182 WeakPolarHBondContact CA-O 3.36Å; L10-I182 HydrophobicContact CD2-CB 3.71Å; L10-I182 HydrophobicContact CD2-CD1 3.76Å; L10-I182 HydrophobicContact CD2-CG1 4.09Å; L10-I182 HydrophobicContact CD2-CG2 4.38Å; S11-I182 PolarHBondContact N-O 3.28Å; I182-I184 HydrophobicContact CG2-CD1 4.34Å; I182-I184 WeakPolarHBondContact O-CD1 3.11Å; I182-D192 WeakPolarHBondContact CA-OD2 3.28Å; I182-D192 HydrophobicContact CG2-CB 4.03Å; I182-I193 HydrophobicContact CG2-CD1 4.08Å; I182-I193 HydrophobicContact CG2-CG1 4.27Å; I182-F248 HydrophobicContact CD1-CE1 3.99Å; I182-F248 HydrophobicContact CD1-CZ 4.15Å; I182-F248 HydrophobicContact CG1-CZ 4.23Å; I182-F248 HydrophobicContact CG2-CE1 3.99Å; I182-F248 HydrophobicContact CG2-CZ 3.89Å |
| 183 | T | 94.9 | Very high | 86.1 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.1 | -177.2 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | L173 T181 S191 D192 I193 | L173-T183 HydrophobicContact CD1-CG2 4.47Å; L173-T183 HydrophobicContact CD2-CG2 3.88Å; L173-T183 HydrophobicContact CG-CG2 4.3Å; T181-T183 PolarHBondContact O-N 3.5Å; T183-S191 WeakPolarHBondContact OG1-CA 3.44Å; T183-D192 PolarHBondContact N-OD2 2.62Å; T183-D192 WeakPolarHBondContact O-CB 3.35Å; T183-D192 PolarHBondContact O-N 3.37Å; T183-D192 PolarHBondContact OG1-N 2.99Å; T183-D192 PolarHBondContact OG1-OD2 2.87Å; T183-I193 PolarHBondContact O-N 3.09Å |
| 184 | I | 97.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.1 | -177.7 | -55.2 | 93.7 | 0 | 0 | 0 | 109.1 | L10 S11 F12 A13 Y21 V25 I182 I193 | L10-I184 HydrophobicContact CB-CD1 4.27Å; S11-I184 VanDerWaalsContact O-CD1 3.28Å; S11-I184 WeakPolarHBondContact O-CD1 3.3Å; S11-I184 PolarHBondContact O-N 3.42Å; F12-I184 HydrophobicContact CD1-CB 3.97Å; F12-I184 HydrophobicContact CD1-CD1 4.26Å; F12-I184 HydrophobicContact CD1-CG1 4.31Å; F12-I184 HydrophobicContact CD1-CG2 4.05Å; F12-I184 HydrophobicContact CD2-CD1 4.45Å; F12-I184 HydrophobicContact CE1-CB 4.28Å; F12-I184 HydrophobicContact CE1-CD1 4.08Å; F12-I184 HydrophobicContact CE1-CG1 4.16Å; F12-I184 HydrophobicContact CE1-CG2 4.28Å; F12-I184 HydrophobicContact CE2-CD1 4.27Å; F12-I184 HydrophobicContact CG-CD1 4.45Å; F12-I184 HydrophobicContact CZ-CD1 4.08Å; A13-I184 WeakPolarHBondContact CB-O 3.39Å; A13-I184 PolarHBondContact N-O 3.18Å; Y21-I184 HydrophobicContact CE1-CG2 4.42Å; V25-I184 HydrophobicContact CB-CG2 4.18Å; V25-I184 HydrophobicContact CG1-CG1 4.13Å; V25-I184 HydrophobicContact CG1-CG2 3.83Å; V25-I184 HydrophobicContact CG2-CG2 3.92Å; I182-I184 HydrophobicContact CG2-CD1 4.34Å; I182-I184 WeakPolarHBondContact O-CD1 3.11Å; I184-I193 WeakPolarHBondContact CA-O 3.44Å; I184-I193 HydrophobicContact CG1-CB 4.12Å; I184-I193 HydrophobicContact CG1-CD1 4.02Å; I184-I193 HydrophobicContact CG1-CG1 4.4Å; I184-I193 HydrophobicContact CG2-CB 4.32Å; I184-I193 HydrophobicContact CG2-CG2 4.4Å |
| 185 | S | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -136.8 | 134.7 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | F187 S191 I193 C194 | S185-F187 PolarHBondContact O-N 3.15Å; S185-F187 PolarHBondContact OG-N 3.45Å; S185-F187 VanDerWaalsContact OG-N 3.17Å; S185-F187 PolarHBondContact OG-O 3.05Å; S185-S191 VanDerWaalsContact CB-OG 3.28Å; S185-S191 WeakPolarHBondContact CB-OG 3.39Å; S185-I193 PolarHBondContact N-O 3.48Å; S185-C194 VanDerWaalsContact O-CA 3.23Å; S185-C194 WeakPolarHBondContact O-CA 2.86Å; S185-C194 WeakPolarHBondContact O-CB 3.32Å | ||
| 186 | P | 93.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.4 | 0.9 | 173 | 34 | -33.5 | 0 | 0 | 0 | 112.5 | C15 L18 Y21 P195 R221 | C15-P186 HydrophobicContact CB-CG 3.31Å; L18-P186 HydrophobicContact CB-CB 4.16Å; L18-P186 HydrophobicContact CB-CG 4.13Å; L18-P186 HydrophobicContact CD1-CB 4.13Å; L18-P186 HydrophobicContact CD1-CG 4.15Å; Y21-P186 HydrophobicContact CD1-CB 3.59Å; Y21-P186 HydrophobicContact CD2-CB 4.33Å; Y21-P186 HydrophobicContact CE1-CB 4.23Å; Y21-P186 HydrophobicContact CG-CB 3.66Å; P186-P195 WeakPolarHBondContact O-CG 3.5Å; P186-R221 WeakPolarHBondContact O-CD 3.24Å |
| 187 | F | 92.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -103.6 | 137 | 177.2 | -56.5 | -75.8 | 0 | 0 | 0 | 110.2 | C15 L18 S185 G189 C194 I212 N218 R221 L222 | C15-F187 HydrophobicContact CB-CE2 4.04Å; C15-F187 HydrophobicContact CB-CZ 4.38Å; L18-F187 HydrophobicContact CD1-CE1 3.94Å; L18-F187 HydrophobicContact CD1-CZ 4.03Å; S185-F187 PolarHBondContact O-N 3.15Å; S185-F187 PolarHBondContact OG-N 3.45Å; S185-F187 VanDerWaalsContact OG-N 3.17Å; S185-F187 PolarHBondContact OG-O 3.05Å; F187-G189 PolarHBondContact O-N 3.36Å; F187-C194 VanDerWaalsContact O-CB 3.31Å; F187-C194 WeakPolarHBondContact O-CB 3.38Å; F187-I212 HydrophobicContact CB-CG1 4.02Å; F187-I212 HydrophobicContact CB-CG2 4.24Å; F187-I212 HydrophobicContact CD2-CD1 4.13Å; F187-I212 HydrophobicContact CD2-CG1 4.41Å; F187-I212 HydrophobicContact CG-CD1 4.18Å; F187-I212 HydrophobicContact CG-CG1 4.23Å; F187-N218 WeakPolarHBondContact CA-OD1 3.41Å; F187-R221 HydrophobicContact CD1-CB 4.03Å; F187-R221 HydrophobicContact CE1-CB 4.03Å; F187-L222 HydrophobicContact CE1-CB 4.29Å; F187-L222 HydrophobicContact CE1-CD1 4.43Å; F187-L222 HydrophobicContact CZ-CD1 4.4Å |
| 188 | S | 89.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -61.2 | 129.1 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 110 | P195 D197 Q213 N218 | S188-P195 WeakPolarHBondContact CA-O 3.4Å; S188-P195 VanDerWaalsContact CB-O 3.31Å; S188-P195 WeakPolarHBondContact CB-O 3.42Å; S188-P195 PolarHBondContact OG-O 3.45Å; S188-D197 WeakPolarHBondContact CB-OD2 3.23Å; S188-D197 PolarHBondContact OG-N 3.49Å; S188-Q213 PolarHBondContact O-N 3.38Å; S188-Q213 PolarHBondContact OG-OE1 3.48Å; S188-N218 PolarHBondContact N-ND2 3.4Å; S188-N218 PolarHBondContact N-OD1 3.01Å; S188-N218 PolarHBondContact O-ND2 3.28Å |
| 189 | G | 87.8 | Confident | 87.2 | Confident | 13 Ų | 13 | 44 Ų | 44 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 175.7 | -149.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F187 C194 | F187-G189 PolarHBondContact O-N 3.36Å; G189-C194 PolarHBondContact O-SG 3.12Å |
| 190 | E | 87.6 | Confident | 86.5 | Confident | 122 Ų | 122 | 39.3 Ų | 39.3 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -94.7 | 12 | -176.8 | -58.6 | -63.6 | 115.4 | 0 | 0 | 113.5 | S211 | E190-S211 WeakPolarHBondContact CB-OG 3.24Å; E190-S211 PolarHBondContact N-OG 2.86Å |
| 191 | S | 90.9 | Very high | 85.1 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | trans | -75.3 | 147.7 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | T183 S185 I193 C194 | T183-S191 WeakPolarHBondContact OG1-CA 3.44Å; S185-S191 VanDerWaalsContact CB-OG 3.28Å; S185-S191 WeakPolarHBondContact CB-OG 3.39Å; S191-I193 VanDerWaalsContact C-N 3.32Å; S191-I193 PolarHBondContact O-N 3.01Å; S191-C194 PolarHBondContact O-SG 2.84Å | ||
| 192 | D | 93.2 | Very high | 83.5 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -59.9 | -42.8 | -177.8 | -61.9 | -65.8 | 0 | 0 | 0 | 112.2 | I182 T183 F248 | I182-D192 WeakPolarHBondContact CA-OD2 3.28Å; I182-D192 HydrophobicContact CG2-CB 4.03Å; T183-D192 PolarHBondContact N-OD2 2.62Å; T183-D192 WeakPolarHBondContact O-CB 3.35Å; T183-D192 PolarHBondContact O-N 3.37Å; T183-D192 PolarHBondContact OG1-N 2.99Å; T183-D192 PolarHBondContact OG1-OD2 2.87Å; D192-F248 HydrophobicContact CB-CD2 4.01Å; D192-F248 HydrophobicContact CB-CE2 3.63Å; D192-F248 HydrophobicContact CB-CZ 4.3Å; D192-F248 WeakPolarHBondContact O-CD2 3.47Å |
| 193 | I | 95.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 99.9 | 175.1 | -53 | 179 | 0 | 0 | 0 | 108.5 | V25 I182 T183 I184 S185 S191 D244 A245 F248 | V25-I193 HydrophobicContact CG1-CD1 4.06Å; V25-I193 HydrophobicContact CG1-CG2 4.11Å; V25-I193 HydrophobicContact CG2-CG2 3.8Å; I182-I193 HydrophobicContact CG2-CD1 4.08Å; I182-I193 HydrophobicContact CG2-CG1 4.27Å; T183-I193 PolarHBondContact O-N 3.09Å; I184-I193 WeakPolarHBondContact CA-O 3.44Å; I184-I193 HydrophobicContact CG1-CB 4.12Å; I184-I193 HydrophobicContact CG1-CD1 4.02Å; I184-I193 HydrophobicContact CG1-CG1 4.4Å; I184-I193 HydrophobicContact CG2-CB 4.32Å; I184-I193 HydrophobicContact CG2-CG2 4.4Å; S185-I193 PolarHBondContact N-O 3.48Å; S191-I193 VanDerWaalsContact C-N 3.32Å; S191-I193 PolarHBondContact O-N 3.01Å; I193-D244 HydrophobicContact CG2-CB 4.14Å; I193-A245 HydrophobicContact CD1-CB 4.33Å; I193-A245 HydrophobicContact CG2-CB 4.14Å; I193-F248 HydrophobicContact CD1-CB 4.37Å; I193-F248 HydrophobicContact CD1-CD1 3.83Å; I193-F248 HydrophobicContact CD1-CE1 4.41Å; I193-F248 HydrophobicContact CD1-CG 4.14Å; I193-F248 HydrophobicContact CG1-CB 3.8Å; I193-F248 HydrophobicContact CG1-CD1 3.87Å; I193-F248 HydrophobicContact CG1-CD2 4.14Å; I193-F248 HydrophobicContact CG1-CG 3.65Å |
| 194 | C | 94.1 | Very high | 81.3 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.054 | 29% | 0.291 | C | S | . | . | trans | -150.6 | 165.5 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | Y21 S185 F187 G189 S191 R247 | Y21-C194 VanDerWaalsContact OH-CA 3.3Å; Y21-C194 WeakPolarHBondContact OH-CA 3.37Å; S185-C194 VanDerWaalsContact O-CA 3.23Å; S185-C194 WeakPolarHBondContact O-CA 2.86Å; S185-C194 WeakPolarHBondContact O-CB 3.32Å; F187-C194 VanDerWaalsContact O-CB 3.31Å; F187-C194 WeakPolarHBondContact O-CB 3.38Å; G189-C194 PolarHBondContact O-SG 3.12Å; S191-C194 PolarHBondContact O-SG 2.84Å; C194-R247 PolarHBondContact O-NH2 3.49Å | ||
| 195 | P | 92.6 | Very high | 80.2 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | trans | -59.9 | 140.4 | 171.6 | -22.3 | 34.6 | 0 | 0 | 0 | 111.3 | Y21 P186 S188 D244 | Y21-P195 HydrophobicContact CE2-CG 3.82Å; Y21-P195 WeakPolarHBondContact OH-CD 3.32Å; P186-P195 WeakPolarHBondContact O-CG 3.5Å; S188-P195 WeakPolarHBondContact CA-O 3.4Å; S188-P195 VanDerWaalsContact CB-O 3.31Å; S188-P195 WeakPolarHBondContact CB-O 3.42Å; S188-P195 PolarHBondContact OG-O 3.45Å; P195-D244 VanDerWaalsContact CA-OD2 3.3Å; P195-D244 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 196 | R | 84.9 | Confident | 79.4 | Confident | 139 Ų | 139 | 69 Ų | 69 | 53% | 0.525 | 34% | 0.342 | S | S | . | . | trans | -100.3 | 103.8 | 170.2 | -70.2 | -172.7 | -179.1 | 157.1 | 8.3 | 109.1 | E251 | R196-E251 IonicContact CZ-OE1 3.76Å; R196-E251 IonicContact CZ-OE2 2.73Å; R196-E251 IonicContact NH1-OE1 3.49Å; R196-E251 PolarHBondContact NH1-OE1 3.4Å; R196-E251 IonicContact NH1-OE2 3.29Å; R196-E251 IonicContact NH2-OE1 3.48Å; R196-E251 PolarHBondContact NH2-OE1 2.87Å; R196-E251 IonicContact NH2-OE2 3.48Å; R196-E251 PolarHBondContact NH2-OE2 3.34Å | ||
| 197 | D | 79.1 | Confident | 78.4 | Confident | 38 Ų | 38 | 73.8 Ų | 73.8 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | trans | -81.9 | 139.4 | 172.7 | -67.4 | -32.8 | 0 | 0 | 0 | 110.2 | S188 S199 N215 R221 | S188-D197 WeakPolarHBondContact CB-OD2 3.23Å; S188-D197 PolarHBondContact OG-N 3.49Å; D197-S199 PolarHBondContact O-N 3.48Å; D197-N215 PolarHBondContact OD2-ND2 2.95Å; D197-N215 PolarHBondContact OD2-OD1 3.22Å; D197-N215 VanDerWaalsContact OD2-OD1 3.12Å; D197-R221 IonicContact OD1-CZ 3.69Å; D197-R221 IonicContact OD1-NH1 3.35Å; D197-R221 PolarHBondContact OD1-NH1 3.38Å; D197-R221 IonicContact OD1-NH2 2.73Å; D197-R221 PolarHBondContact OD1-NH2 2.78Å; D197-R221 IonicContact OD2-CZ 2.72Å; D197-R221 IonicContact OD2-NH1 3.38Å; D197-R221 PolarHBondContact OD2-NH1 3.36Å; D197-R221 IonicContact OD2-NH2 3.13Å | ||
| 198 | N | 63.8 | Low | 77.9 | Confident | 171 Ų | 171 | 75 Ų | 75 | 91% | 0.914 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -69.9 | 8.3 | -179.1 | -65.7 | -18.6 | 0 | 0 | 0 | 114.1 | ||
| 199 | S | 58.6 | Low | 77.4 | Confident | 60 Ų | 60 | 78.5 Ų | 78.5 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | trans | -92.4 | 119.4 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | D197 S201 | D197-S199 PolarHBondContact O-N 3.48Å; S199-S201 PolarHBondContact O-N 2.91Å | ||
| 200 | T | 53.7 | Low | 77 | Confident | 117 Ų | 117 | 77.9 Ų | 77.9 | 72% | 0.718 | 38% | 0.383 | S | S | * | . | trans | -75.5 | 46.7 | 170.9 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | F202 | T200-F202 WeakPolarHBondContact O-CD2 3.42Å; T200-F202 PolarHBondContact O-N 2.84Å; T200-F202 VanDerWaalsContact O-N 3.15Å | ||
| 201 | S | 56.5 | Low | 76.7 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | trans | -71.3 | 110.3 | 177.4 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | S199 H203 M214 | S199-S201 PolarHBondContact O-N 2.91Å; S201-H203 PolarHBondContact O-N 3.35Å; S201-M214 WeakPolarHBondContact CB-O 3.43Å; S201-M214 PolarHBondContact OG-O 3.17Å | ||
| 202 | F | 58.1 | Low | 76.3 | Confident | 187 Ų | 187 | 73.3 Ų | 73.3 | 82% | 0.82 | 36% | 0.362 | S | S | * | . | trans | -76.4 | 7.3 | 177.1 | -62.8 | -79.8 | 0 | 0 | 0 | 112.8 | T200 | T200-F202 WeakPolarHBondContact O-CD2 3.42Å; T200-F202 PolarHBondContact O-N 2.84Å; T200-F202 VanDerWaalsContact O-N 3.15Å | ||
| 203 | H | 67.5 | Low | 75.8 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 60% | 0.602 | 35% | 0.352 | S | S | * | . | trans | -109 | 106.3 | -177 | -65.4 | 5.3 | 0 | 0 | 0 | 109.6 | S201 M214 | S201-H203 PolarHBondContact O-N 3.35Å; H203-M214 HydrophobicContact CB-CB 4.37Å; H203-M214 HydrophobicContact CB-CG 4.5Å; H203-M214 HydrophobicContact CB-SD 4.33Å; H203-M214 PolarHBondContact O-N 3.41Å | ||
| 204 | E | 74.2 | Confident | 75 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.8 | 179.7 | -173 | -167.8 | 137.5 | 0 | 0 | 109.3 | R206 S211 | E204-R206 WeakPolarHBondContact OE1-CG 3.48Å; E204-R206 IonicContact OE1-CZ 3.94Å; E204-R206 IonicContact OE1-NE 3.72Å; E204-R206 PolarHBondContact OE1-NE 2.91Å; E204-R206 IonicContact OE1-NH2 2.69Å; E204-R206 PolarHBondContact OE1-NH2 3.49Å; E204-S211 VanDerWaalsContact CD-CB 3.44Å; E204-S211 WeakPolarHBondContact OE1-CB 3.48Å |
| 205 | L | 74.9 | Confident | 74.5 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.7 | 169.3 | -174.7 | 109.1 | 0 | 0 | 0 | 108.3 | F207 I212 M214 | L205-F207 HydrophobicContact CD2-CB 3.91Å; L205-I212 PolarHBondContact N-O 3.14Å; L205-I212 PolarHBondContact O-N 3.14Å; L205-M214 HydrophobicContact CB-CE 3.86Å; L205-M214 HydrophobicContact CD1-CE 3.64Å; L205-M214 HydrophobicContact CG-CE 4.39Å |
| 206 | R | 77.7 | Confident | 74 | Confident | 177 Ų | 177 | 83.8 Ų | 83.8 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.8 | 167.4 | -72 | -170.5 | 176.9 | -144.5 | 0.1 | 109.6 | E204 T210 | E204-R206 WeakPolarHBondContact OE1-CG 3.48Å; E204-R206 IonicContact OE1-CZ 3.94Å; E204-R206 IonicContact OE1-NE 3.72Å; E204-R206 PolarHBondContact OE1-NE 2.91Å; E204-R206 IonicContact OE1-NH2 2.69Å; E204-R206 PolarHBondContact OE1-NH2 3.49Å; R206-T210 CarbonylContact C-O 3.56Å; R206-T210 WeakPolarHBondContact CA-O 3.3Å |
| 207 | F | 73.4 | Confident | 73.9 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 45% | 0.447 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.8 | 174.4 | -173 | -98.8 | 0 | 0 | 0 | 108.4 | G168 L205 N209 T210 | G168-F207 WeakPolarHBondContact O-CE1 3.4Å; L205-F207 HydrophobicContact CD2-CB 3.91Å; F207-N209 PolarHBondContact O-N 2.8Å; F207-T210 PolarHBondContact N-O 2.82Å; F207-T210 WeakPolarHBondContact O-CA 3.42Å; F207-T210 VanDerWaalsContact O-CB 3.31Å; F207-T210 WeakPolarHBondContact O-CB 3.45Å; F207-T210 PolarHBondContact O-N 2.85Å |
| 208 | T | 80.9 | Confident | 74.3 | Confident | 31 Ų | 31 | 76.7 Ų | 76.7 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 58 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 113 | G168 I169 S170 N172 L173 T210 | G168-T208 WeakPolarHBondContact O-CB 3.5Å; G168-T208 WeakPolarHBondContact O-CG2 3.28Å; G168-T208 PolarHBondContact O-OG1 2.87Å; I169-T208 WeakPolarHBondContact O-CG2 3.15Å; S170-T208 WeakPolarHBondContact O-CB 3.47Å; S170-T208 WeakPolarHBondContact O-CG2 3.46Å; N172-T208 WeakPolarHBondContact CB-OG1 3.32Å; N172-T208 PolarHBondContact N-O 3.35Å; N172-T208 PolarHBondContact N-OG1 3.49Å; L173-T208 PolarHBondContact N-O 2.89Å; T208-T210 PolarHBondContact O-N 3.31Å; T208-T210 VanDerWaalsContact O-N 3.13Å |
| 209 | N | 79.4 | Confident | 75.3 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 6.3 | -177.6 | -150.4 | 31.7 | 0 | 0 | 0 | 116.5 | D171 L173 F207 | D171-N209 WeakPolarHBondContact OD1-CB 3.39Å; L173-N209 PolarHBondContact O-ND2 2.8Å; F207-N209 PolarHBondContact O-N 2.8Å |
| 210 | T | 79.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.5 | 171.3 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | N172 L173 R206 F207 T208 I212 | N172-T210 WeakPolarHBondContact CB-OG1 3.37Å; N172-T210 PolarHBondContact ND2-OG1 3.13Å; L173-T210 WeakPolarHBondContact CB-OG1 3.42Å; R206-T210 CarbonylContact C-O 3.56Å; R206-T210 WeakPolarHBondContact CA-O 3.3Å; F207-T210 PolarHBondContact N-O 2.82Å; F207-T210 WeakPolarHBondContact O-CA 3.42Å; F207-T210 VanDerWaalsContact O-CB 3.31Å; F207-T210 WeakPolarHBondContact O-CB 3.45Å; F207-T210 PolarHBondContact O-N 2.85Å; T208-T210 PolarHBondContact O-N 3.31Å; T208-T210 VanDerWaalsContact O-N 3.13Å; T210-I212 HydrophobicContact CG2-CD1 4.48Å; T210-I212 HydrophobicContact CG2-CG1 4.05Å |
| 211 | S | 82.2 | Confident | 78.4 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.2 | 169.3 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | E190 E204 | E190-S211 WeakPolarHBondContact CB-OG 3.24Å; E190-S211 PolarHBondContact N-OG 2.86Å; E204-S211 VanDerWaalsContact CD-CB 3.44Å; E204-S211 WeakPolarHBondContact OE1-CB 3.48Å |
| 212 | I | 82.2 | Confident | 79.9 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 115.1 | 178.8 | -57.5 | 178.5 | 0 | 0 | 0 | 107.6 | F187 L205 T210 M214 N218 | F187-I212 HydrophobicContact CB-CG1 4.02Å; F187-I212 HydrophobicContact CB-CG2 4.24Å; F187-I212 HydrophobicContact CD2-CD1 4.13Å; F187-I212 HydrophobicContact CD2-CG1 4.41Å; F187-I212 HydrophobicContact CG-CD1 4.18Å; F187-I212 HydrophobicContact CG-CG1 4.23Å; L205-I212 PolarHBondContact N-O 3.14Å; L205-I212 PolarHBondContact O-N 3.14Å; T210-I212 HydrophobicContact CG2-CD1 4.48Å; T210-I212 HydrophobicContact CG2-CG1 4.05Å; I212-M214 PolarHBondContact O-N 3.24Å; I212-N218 HydrophobicContact CG2-CB 3.98Å |
| 213 | Q | 82.4 | Confident | 81.3 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.2 | 173.1 | -73.8 | 169.7 | -3.1 | 0 | 0 | 110.6 | S188 N215 N218 | S188-Q213 PolarHBondContact O-N 3.38Å; S188-Q213 PolarHBondContact OG-OE1 3.48Å; Q213-N215 PolarHBondContact O-N 2.97Å; Q213-N218 PolarHBondContact N-ND2 3.29Å; Q213-N218 WeakPolarHBondContact O-CB 3.38Å; Q213-N218 PolarHBondContact O-ND2 2.93Å |
| 214 | M | 78.9 | Confident | 82.3 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | trans | -75.4 | 91 | 173.3 | -64.2 | -168.1 | -176.1 | 0 | 0 | 109.3 | S201 H203 L205 I212 | S201-M214 WeakPolarHBondContact CB-O 3.43Å; S201-M214 PolarHBondContact OG-O 3.17Å; H203-M214 HydrophobicContact CB-CB 4.37Å; H203-M214 HydrophobicContact CB-CG 4.5Å; H203-M214 HydrophobicContact CB-SD 4.33Å; H203-M214 PolarHBondContact O-N 3.41Å; L205-M214 HydrophobicContact CB-CE 3.86Å; L205-M214 HydrophobicContact CD1-CE 3.64Å; L205-M214 HydrophobicContact CG-CE 4.39Å; I212-M214 PolarHBondContact O-N 3.24Å | ||
| 215 | N | 82.5 | Confident | 83 | Confident | 16 Ų | 16 | 62 Ų | 62 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -145 | 165.4 | 177.1 | 75.4 | 39.6 | 0 | 0 | 0 | 111 | D197 Q213 G217 N218 L219 | D197-N215 PolarHBondContact OD2-ND2 2.95Å; D197-N215 PolarHBondContact OD2-OD1 3.22Å; D197-N215 VanDerWaalsContact OD2-OD1 3.12Å; Q213-N215 PolarHBondContact O-N 2.97Å; N215-G217 VanDerWaalsContact C-N 3.27Å; N215-G217 PolarHBondContact O-N 3.36Å; N215-G217 VanDerWaalsContact OD1-CA 3.28Å; N215-G217 WeakPolarHBondContact OD1-CA 3.21Å; N215-G217 PolarHBondContact OD1-N 3.32Å; N215-N218 PolarHBondContact O-N 3.12Å; N215-N218 PolarHBondContact OD1-N 2.95Å; N215-L219 PolarHBondContact O-N 2.83Å |
| 216 | M | 82.1 | Confident | 83.5 | Confident | 149 Ų | 149 | 61.5 Ų | 61.5 | 73% | 0.734 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.6 | -28.5 | -179.2 | -69.7 | -61.2 | 105 | 0 | 0 | 113.2 | L219 Y220 | M216-L219 HydrophobicContact CE-CD2 4.06Å; M216-L219 HydrophobicContact SD-CD2 4.25Å; M216-Y220 WeakPolarHBondContact O-CB 3.48Å; M216-Y220 PolarHBondContact O-N 3.23Å |
| 217 | G | 84.2 | Confident | 83.9 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N215 Y220 R221 | N215-G217 VanDerWaalsContact C-N 3.27Å; N215-G217 PolarHBondContact O-N 3.36Å; N215-G217 VanDerWaalsContact OD1-CA 3.28Å; N215-G217 WeakPolarHBondContact OD1-CA 3.21Å; N215-G217 PolarHBondContact OD1-N 3.32Å; G217-Y220 WeakPolarHBondContact O-CB 3.11Å; G217-Y220 PolarHBondContact O-N 3.17Å; G217-R221 VanDerWaalsContact O-CG 3.28Å; G217-R221 WeakPolarHBondContact O-CG 3.48Å; G217-R221 PolarHBondContact O-N 3.48Å; G217-R221 PolarHBondContact O-NH1 2.94Å |
| 218 | N | 88 | Confident | 84.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 178 | -80.4 | -13.1 | 0 | 0 | 0 | 113 | F187 S188 I212 Q213 N215 Y220 R221 L222 | F187-N218 WeakPolarHBondContact CA-OD1 3.41Å; S188-N218 PolarHBondContact N-ND2 3.4Å; S188-N218 PolarHBondContact N-OD1 3.01Å; S188-N218 PolarHBondContact O-ND2 3.28Å; I212-N218 HydrophobicContact CG2-CB 3.98Å; Q213-N218 PolarHBondContact N-ND2 3.29Å; Q213-N218 WeakPolarHBondContact O-CB 3.38Å; Q213-N218 PolarHBondContact O-ND2 2.93Å; N215-N218 PolarHBondContact O-N 3.12Å; N215-N218 PolarHBondContact OD1-N 2.95Å; N218-Y220 VanDerWaalsContact C-N 3.34Å; N218-R221 PolarHBondContact O-N 3.11Å; N218-R221 PolarHBondContact OD1-NH1 3.31Å; N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 PolarHBondContact O-N 3.11Å |
| 219 | L | 84.4 | Confident | 84.8 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 171.3 | -175.7 | 62 | 0 | 0 | 0 | 111.3 | N215 M216 L222 S223 | N215-L219 PolarHBondContact O-N 2.83Å; M216-L219 HydrophobicContact CE-CD2 4.06Å; M216-L219 HydrophobicContact SD-CD2 4.25Å; L219-L222 PolarHBondContact O-N 3.06Å; L219-S223 PolarHBondContact O-N 2.79Å |
| 220 | Y | 86.8 | Confident | 85 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 172.5 | 171.6 | -96.5 | 0 | 0 | 0 | 111 | M216 G217 N218 L222 S223 R224 V233 M237 | M216-Y220 WeakPolarHBondContact O-CB 3.48Å; M216-Y220 PolarHBondContact O-N 3.23Å; G217-Y220 WeakPolarHBondContact O-CB 3.11Å; G217-Y220 PolarHBondContact O-N 3.17Å; N218-Y220 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 3.33Å; Y220-S223 WeakPolarHBondContact O-CB 3.37Å; Y220-S223 PolarHBondContact O-N 3.29Å; Y220-S223 PolarHBondContact O-OG 3.48Å; Y220-R224 HydrophobicContact CD1-CG 4.41Å; Y220-R224 HydrophobicContact CE1-CG 4.01Å; Y220-R224 HydrophobicContact CE2-CG 4.22Å; Y220-R224 WeakPolarHBondContact O-CG 3.27Å; Y220-R224 PolarHBondContact O-N 3.02Å; Y220-V233 WeakPolarHBondContact OH-CG1 3.32Å; Y220-M237 HydrophobicContact CD1-CE 4.4Å; Y220-M237 HydrophobicContact CE1-CE 3.55Å |
| 221 | R | 90.9 | Very high | 85.3 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 177.8 | -70.8 | -177.4 | -163.2 | 97.6 | 1.7 | 111.8 | L18 P186 F187 D197 G217 N218 S223 R224 A225 | L18-R221 HydrophobicContact CD1-CB 3.78Å; L18-R221 WeakPolarHBondContact CD1-O 3.29Å; P186-R221 WeakPolarHBondContact O-CD 3.24Å; F187-R221 HydrophobicContact CD1-CB 4.03Å; F187-R221 HydrophobicContact CE1-CB 4.03Å; D197-R221 IonicContact OD1-CZ 3.69Å; D197-R221 IonicContact OD1-NH1 3.35Å; D197-R221 PolarHBondContact OD1-NH1 3.38Å; D197-R221 IonicContact OD1-NH2 2.73Å; D197-R221 PolarHBondContact OD1-NH2 2.78Å; D197-R221 IonicContact OD2-CZ 2.72Å; D197-R221 IonicContact OD2-NH1 3.38Å; D197-R221 PolarHBondContact OD2-NH1 3.36Å; D197-R221 IonicContact OD2-NH2 3.13Å; G217-R221 VanDerWaalsContact O-CG 3.28Å; G217-R221 WeakPolarHBondContact O-CG 3.48Å; G217-R221 PolarHBondContact O-N 3.48Å; G217-R221 PolarHBondContact O-NH1 2.94Å; N218-R221 PolarHBondContact O-N 3.11Å; N218-R221 PolarHBondContact OD1-NH1 3.31Å; R221-S223 VanDerWaalsContact C-N 3.28Å; R221-S223 PolarHBondContact O-N 2.98Å; R221-R224 CarbonylContact O-C 3.54Å; R221-R224 WeakPolarHBondContact O-CA 3.4Å; R221-R224 PolarHBondContact O-N 3.36Å; R221-A225 PolarHBondContact O-N 3.29Å |
| 222 | L | 87.6 | Confident | 85.4 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 176.7 | -173.7 | 66.1 | 0 | 0 | 0 | 111.6 | F187 N218 L219 Y220 R224 A225 L226 | F187-L222 HydrophobicContact CE1-CB 4.29Å; F187-L222 HydrophobicContact CE1-CD1 4.43Å; F187-L222 HydrophobicContact CZ-CD1 4.4Å; N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 PolarHBondContact O-N 3.11Å; L219-L222 PolarHBondContact O-N 3.06Å; Y220-L222 PolarHBondContact O-N 3.33Å; L222-R224 VanDerWaalsContact C-N 3.29Å; L222-R224 PolarHBondContact O-N 3.08Å; L222-A225 WeakPolarHBondContact O-CB 3.26Å; L222-A225 PolarHBondContact O-N 2.82Å; L222-L226 PolarHBondContact O-N 3.37Å |
| 223 | S | 86.3 | Confident | 85.7 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 173.8 | 82.1 | 0 | 0 | 0 | 0 | 112.2 | L219 Y220 R221 L226 F227 | L219-S223 PolarHBondContact O-N 2.79Å; Y220-S223 WeakPolarHBondContact O-CB 3.37Å; Y220-S223 PolarHBondContact O-N 3.29Å; Y220-S223 PolarHBondContact O-OG 3.48Å; R221-S223 VanDerWaalsContact C-N 3.28Å; R221-S223 PolarHBondContact O-N 2.98Å; S223-L226 PolarHBondContact O-N 3.24Å; S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 PolarHBondContact O-N 3.42Å |
| 224 | R | 89.1 | Confident | 86.2 | Confident | 78 Ų | 78 | 56 Ų | 56 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78 | -23.1 | 179.3 | -61.1 | -43.1 | 178.6 | 174.1 | -9.6 | 113.8 | F17 L18 Y220 R221 L222 L226 F227 P229 M237 | F17-R224 WeakPolarHBondContact CB-O 3.28Å; L18-R224 HydrophobicContact CD2-CB 4.02Å; Y220-R224 HydrophobicContact CD1-CG 4.41Å; Y220-R224 HydrophobicContact CE1-CG 4.01Å; Y220-R224 HydrophobicContact CE2-CG 4.22Å; Y220-R224 WeakPolarHBondContact O-CG 3.27Å; Y220-R224 PolarHBondContact O-N 3.02Å; R221-R224 CarbonylContact O-C 3.54Å; R221-R224 WeakPolarHBondContact O-CA 3.4Å; R221-R224 PolarHBondContact O-N 3.36Å; L222-R224 VanDerWaalsContact C-N 3.29Å; L222-R224 PolarHBondContact O-N 3.08Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-F227 WeakPolarHBondContact CA-O 3.11Å; R224-P229 HydrophobicContact CB-CG 4.45Å; R224-P229 HydrophobicContact CG-CG 4.35Å; R224-M237 HydrophobicContact CB-CE 3.78Å; R224-M237 HydrophobicContact CG-CE 3.66Å |
| 225 | A | 88.6 | Confident | 86.7 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C15 F17 L18 R221 L222 | C15-A225 WeakPolarHBondContact O-CA 3.38Å; C15-A225 WeakPolarHBondContact O-CB 3.46Å; F17-A225 PolarHBondContact N-O 2.95Å; L18-A225 HydrophobicContact CD1-CB 4.06Å; L18-A225 HydrophobicContact CG-CB 4.03Å; R221-A225 PolarHBondContact O-N 3.29Å; L222-A225 WeakPolarHBondContact O-CB 3.26Å; L222-A225 PolarHBondContact O-N 2.82Å |
| 226 | L | 85.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -91.4 | -33.1 | 179.4 | -64.7 | 176 | 0 | 0 | 0 | 113.6 | P83 Y151 L222 S223 R224 | P83-L226 WeakPolarHBondContact CG-O 3.22Å; Y151-L226 PolarHBondContact OH-O 2.87Å; L222-L226 PolarHBondContact O-N 3.37Å; S223-L226 PolarHBondContact O-N 3.24Å; R224-L226 VanDerWaalsContact C-N 3.3Å |
| 227 | F | 86.4 | Confident | 87.6 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -125.3 | 102.2 | -176.4 | -62.6 | -83.3 | 0 | 0 | 0 | 110.4 | P83 L84 S223 R224 | P83-F227 HydrophobicContact CG-CD1 3.85Å; P83-F227 HydrophobicContact CG-CE1 4.16Å; L84-F227 HydrophobicContact CD1-CE1 3.97Å; L84-F227 HydrophobicContact CD1-CZ 3.98Å; L84-F227 HydrophobicContact CG-CE1 4.1Å; L84-F227 HydrophobicContact CG-CZ 4.42Å; S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 PolarHBondContact O-N 3.42Å; R224-F227 WeakPolarHBondContact CA-O 3.11Å |
| 228 | P | 86.8 | Confident | 88.1 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | trans | -61.4 | 133.1 | -171.8 | 16.6 | -24.1 | 0 | 0 | 0 | 111.3 | F17 A73 A76 R77 | F17-P228 HydrophobicContact CB-CB 4.14Å; F17-P228 HydrophobicContact CD1-CB 3.7Å; F17-P228 HydrophobicContact CD1-CG 4.02Å; F17-P228 HydrophobicContact CD2-CB 4.06Å; F17-P228 HydrophobicContact CD2-CG 3.87Å; F17-P228 HydrophobicContact CE1-CB 4.06Å; F17-P228 HydrophobicContact CE1-CG 3.91Å; F17-P228 HydrophobicContact CE2-CB 4.39Å; F17-P228 HydrophobicContact CE2-CG 3.76Å; F17-P228 HydrophobicContact CG-CB 3.69Å; F17-P228 HydrophobicContact CG-CG 3.99Å; F17-P228 HydrophobicContact CZ-CB 4.39Å; F17-P228 HydrophobicContact CZ-CG 3.78Å; A73-P228 HydrophobicContact CB-CB 3.68Å; A73-P228 HydrophobicContact CB-CG 4.35Å; A76-P228 HydrophobicContact CB-CG 3.63Å; R77-P228 VanDerWaalsContact CD-O 3.32Å; R77-P228 WeakPolarHBondContact CD-O 3.43Å; R77-P228 HydrophobicContact CG-CG 4.11Å | ||
| 229 | P | 85.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | trans | -80 | -177.2 | 174.3 | 35.1 | -36.3 | 0 | 0 | 0 | 111.7 | R77 R224 V233 L234 M237 | R77-P229 WeakPolarHBondContact CD-O 3.27Å; R224-P229 HydrophobicContact CB-CG 4.45Å; R224-P229 HydrophobicContact CG-CG 4.35Å; P229-V233 HydrophobicContact CB-CB 3.75Å; P229-V233 HydrophobicContact CB-CG1 3.69Å; P229-V233 HydrophobicContact CB-CG2 4.32Å; P229-V233 HydrophobicContact CG-CB 3.97Å; P229-V233 HydrophobicContact CG-CG1 3.72Å; P229-L234 HydrophobicContact CG-CD2 3.79Å; P229-L234 HydrophobicContact CG-CG 4.07Å; P229-M237 HydrophobicContact CG-SD 4.28Å | ||
| 230 | E | 84.1 | Confident | 88.8 | Confident | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | trans | -66.9 | 155.5 | 176.4 | -54 | -150.8 | 140.2 | 0 | 0 | 112.3 | R77 K232 V233 L234 K330 | R77-E230 IonicContact NH2-OE1 2.81Å; R77-E230 PolarHBondContact NH2-OE1 3.46Å; E230-K232 PolarHBondContact O-N 3.08Å; E230-V233 PolarHBondContact O-N 2.95Å; E230-L234 PolarHBondContact O-N 3.33Å; E230-K330 VanDerWaalsContact CD-NZ 3.31Å; E230-K330 IonicContact OE1-NZ 3.8Å; E230-K330 PolarHBondContact OE1-NZ 2.97Å; E230-K330 IonicContact OE2-NZ 3.58Å; E230-K330 PolarHBondContact OE2-NZ 3.11Å | ||
| 231 | P | 86.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -50.9 | -33.4 | 178.8 | -30.4 | 36.4 | 0 | 0 | 0 | 114.9 | L234 A235 A326 | P231-L234 PolarHBondContact O-N 3.05Å; P231-A235 PolarHBondContact O-N 2.87Å; P231-A326 HydrophobicContact CB-CB 4.28Å |
| 232 | K | 85.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 37.8 Ų | 37.8 | 47% | 0.47 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -47.3 | 174.9 | -174.6 | -179.7 | 178.1 | -176.5 | 0 | 112.2 | E230 L234 A235 D236 W307 | E230-K232 PolarHBondContact O-N 3.08Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-A235 WeakPolarHBondContact O-CB 3.2Å; K232-A235 PolarHBondContact O-N 3.18Å; K232-D236 PolarHBondContact O-N 2.65Å; K232-D236 VanDerWaalsContact O-N 3.09Å; K232-W307 HydrophobicContact CG-CD2 4.32Å |
| 233 | V | 88.1 | Confident | 89.8 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -36.4 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | Y220 P229 E230 A235 D236 M237 | Y220-V233 WeakPolarHBondContact OH-CG1 3.32Å; P229-V233 HydrophobicContact CB-CB 3.75Å; P229-V233 HydrophobicContact CB-CG1 3.69Å; P229-V233 HydrophobicContact CB-CG2 4.32Å; P229-V233 HydrophobicContact CG-CB 3.97Å; P229-V233 HydrophobicContact CG-CG1 3.72Å; E230-V233 PolarHBondContact O-N 2.95Å; V233-A235 PolarHBondContact O-N 3.44Å; V233-D236 PolarHBondContact O-N 3.13Å; V233-M237 HydrophobicContact CG1-CE 4.09Å; V233-M237 HydrophobicContact CG1-SD 4.36Å; V233-M237 VanDerWaalsContact O-CG 3.32Å; V233-M237 WeakPolarHBondContact O-CG 3.38Å; V233-M237 PolarHBondContact O-N 3.3Å |
| 234 | L | 91.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 172.5 | -69.2 | 176.2 | 0 | 0 | 0 | 111.4 | I20 I70 A73 P229 E230 P231 K232 M237 C238 F323 | I20-L234 HydrophobicContact CB-CD2 4.45Å; I20-L234 HydrophobicContact CG1-CB 4.34Å; I20-L234 HydrophobicContact CG2-CB 4.44Å; I20-L234 HydrophobicContact CG2-CD2 3.93Å; I70-L234 HydrophobicContact CG1-CD1 4.5Å; A73-L234 HydrophobicContact CB-CD1 3.77Å; P229-L234 HydrophobicContact CG-CD2 3.79Å; P229-L234 HydrophobicContact CG-CG 4.07Å; E230-L234 PolarHBondContact O-N 3.33Å; P231-L234 PolarHBondContact O-N 3.05Å; K232-L234 VanDerWaalsContact C-N 3.35Å; L234-M237 PolarHBondContact O-N 2.68Å; L234-C238 WeakPolarHBondContact O-CB 3.24Å; L234-C238 PolarHBondContact O-N 3.36Å; L234-F323 HydrophobicContact CB-CE1 4.2Å |
| 235 | A | 90.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P231 K232 V233 M237 C238 Q239 W307 F323 | P231-A235 PolarHBondContact O-N 2.87Å; K232-A235 WeakPolarHBondContact O-CB 3.2Å; K232-A235 PolarHBondContact O-N 3.18Å; V233-A235 PolarHBondContact O-N 3.44Å; A235-M237 VanDerWaalsContact C-N 3.27Å; A235-M237 PolarHBondContact O-N 3.08Å; A235-C238 WeakPolarHBondContact O-CB 3.47Å; A235-C238 PolarHBondContact O-N 3.18Å; A235-Q239 WeakPolarHBondContact O-CB 3.48Å; A235-Q239 PolarHBondContact O-N 3.46Å; A235-W307 HydrophobicContact CB-CH2 3.13Å; A235-W307 HydrophobicContact CB-CZ2 3.96Å; A235-W307 HydrophobicContact CB-CZ3 3.73Å; A235-F323 HydrophobicContact CB-CB 4.2Å; A235-F323 HydrophobicContact CB-CD1 3.51Å; A235-F323 HydrophobicContact CB-CD2 4.08Å; A235-F323 HydrophobicContact CB-CE1 3.79Å; A235-F323 HydrophobicContact CB-CE2 4.32Å; A235-F323 HydrophobicContact CB-CG 3.67Å; A235-F323 HydrophobicContact CB-CZ 4.19Å |
| 236 | D | 90.2 | Very high | 90.9 | Very high | 68 Ų | 68 | 34.2 Ų | 34.2 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.7 | -64.4 | -28.4 | 0 | 0 | 0 | 111 | K232 V233 Q239 S240 | K232-D236 PolarHBondContact O-N 2.65Å; K232-D236 VanDerWaalsContact O-N 3.09Å; V233-D236 PolarHBondContact O-N 3.13Å; D236-Q239 PolarHBondContact O-N 3.15Å; D236-S240 WeakPolarHBondContact O-CB 3.44Å; D236-S240 PolarHBondContact O-N 3.18Å; D236-S240 PolarHBondContact O-OG 3.38Å |
| 237 | M | 93.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -41.4 | 175.2 | -70.8 | 177.1 | 166.1 | 0 | 0 | 112.5 | L18 I20 Y220 R224 P229 V233 L234 A235 S240 G241 | L18-M237 HydrophobicContact CD2-CE 3.83Å; L18-M237 HydrophobicContact CD2-SD 3.46Å; L18-M237 WeakPolarHBondContact CD2-SD 3.13Å; I20-M237 HydrophobicContact CG2-CB 3.82Å; Y220-M237 HydrophobicContact CD1-CE 4.4Å; Y220-M237 HydrophobicContact CE1-CE 3.55Å; R224-M237 HydrophobicContact CB-CE 3.78Å; R224-M237 HydrophobicContact CG-CE 3.66Å; P229-M237 HydrophobicContact CG-SD 4.28Å; V233-M237 HydrophobicContact CG1-CE 4.09Å; V233-M237 HydrophobicContact CG1-SD 4.36Å; V233-M237 VanDerWaalsContact O-CG 3.32Å; V233-M237 WeakPolarHBondContact O-CG 3.38Å; V233-M237 PolarHBondContact O-N 3.3Å; L234-M237 PolarHBondContact O-N 2.68Å; A235-M237 VanDerWaalsContact C-N 3.27Å; A235-M237 PolarHBondContact O-N 3.08Å; M237-S240 WeakPolarHBondContact O-CB 3.4Å; M237-S240 PolarHBondContact O-N 3.08Å; M237-G241 PolarHBondContact O-N 3.31Å |
| 238 | C | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | I20 G24 L234 A235 S240 G241 Y242 L315 F323 | I20-C238 HydrophobicContact CG1-CB 3.99Å; I20-C238 WeakPolarHBondContact O-CA 3.36Å; G24-C238 VanDerWaalsContact CA-O 3.31Å; G24-C238 WeakPolarHBondContact CA-O 3.47Å; L234-C238 WeakPolarHBondContact O-CB 3.24Å; L234-C238 PolarHBondContact O-N 3.36Å; A235-C238 WeakPolarHBondContact O-CB 3.47Å; A235-C238 PolarHBondContact O-N 3.18Å; C238-S240 VanDerWaalsContact C-N 3.25Å; C238-S240 PolarHBondContact O-N 2.98Å; C238-G241 PolarHBondContact O-N 3.46Å; C238-Y242 PolarHBondContact O-N 2.86Å; C238-L315 HydrophobicContact CB-CD1 4.36Å; C238-F323 HydrophobicContact CB-CE2 3.77Å; C238-F323 HydrophobicContact CB-CZ 3.62Å |
| 239 | Q | 93.3 | Very high | 92 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 177.1 | -173.5 | -177.6 | 2.4 | 0 | 0 | 111.7 | A235 D236 Y242 K243 H312 L315 | A235-Q239 WeakPolarHBondContact O-CB 3.48Å; A235-Q239 PolarHBondContact O-N 3.46Å; D236-Q239 PolarHBondContact O-N 3.15Å; Q239-Y242 PolarHBondContact O-N 2.89Å; Q239-K243 HydrophobicContact CG-CD 4.36Å; Q239-K243 VanDerWaalsContact NE2-CE 3.33Å; Q239-K243 WeakPolarHBondContact O-CG 3.37Å; Q239-K243 PolarHBondContact O-N 3.26Å; Q239-H312 PolarHBondContact NE2-O 2.86Å; Q239-L315 HydrophobicContact CB-CD1 4.07Å; Q239-L315 HydrophobicContact CB-CG 4.25Å |
| 240 | S | 93.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 34 Ų | 34 | 37% | 0.371 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111 | D236 M237 C238 Y242 K243 D244 | D236-S240 WeakPolarHBondContact O-CB 3.44Å; D236-S240 PolarHBondContact O-N 3.18Å; D236-S240 PolarHBondContact O-OG 3.38Å; M237-S240 WeakPolarHBondContact O-CB 3.4Å; M237-S240 PolarHBondContact O-N 3.08Å; C238-S240 VanDerWaalsContact C-N 3.25Å; C238-S240 PolarHBondContact O-N 2.98Å; S240-Y242 VanDerWaalsContact C-N 3.33Å; S240-Y242 PolarHBondContact O-N 3.1Å; S240-K243 PolarHBondContact O-N 3.11Å; S240-K243 VanDerWaalsContact O-N 3.17Å; S240-D244 PolarHBondContact O-N 3.39Å |
| 241 | G | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y21 V25 M237 C238 K243 D244 A245 | Y21-G241 VanDerWaalsContact CD2-CA 3.45Å; V25-G241 VanDerWaalsContact CG2-O 3.3Å; V25-G241 WeakPolarHBondContact CG2-O 3.34Å; M237-G241 PolarHBondContact O-N 3.31Å; C238-G241 PolarHBondContact O-N 3.46Å; G241-K243 PolarHBondContact O-N 3.47Å; G241-D244 PolarHBondContact O-N 2.91Å; G241-A245 WeakPolarHBondContact O-CB 3.34Å; G241-A245 PolarHBondContact O-N 2.9Å |
| 242 | Y | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.6 | -173.3 | -74.5 | 0 | 0 | 0 | 112 | G24 C28 E31 K32 C238 Q239 S240 A245 L246 V314 L315 P316 | G24-Y242 WeakPolarHBondContact O-CA 3.45Å; C28-Y242 VanDerWaalsContact CA-CE2 3.47Å; C28-Y242 HydrophobicContact CB-CD1 4.26Å; C28-Y242 HydrophobicContact CB-CD2 3.54Å; C28-Y242 HydrophobicContact CB-CE1 4.35Å; C28-Y242 HydrophobicContact CB-CE2 3.7Å; C28-Y242 HydrophobicContact CB-CG 3.84Å; E31-Y242 PolarHBondContact OE1-OH 3.46Å; E31-Y242 WeakPolarHBondContact OE2-CE2 3.43Å; E31-Y242 PolarHBondContact OE2-OH 3.15Å; K32-Y242 WeakPolarHBondContact CE-OH 3.38Å; C238-Y242 PolarHBondContact O-N 2.86Å; Q239-Y242 PolarHBondContact O-N 2.89Å; S240-Y242 VanDerWaalsContact C-N 3.33Å; S240-Y242 PolarHBondContact O-N 3.1Å; Y242-A245 PolarHBondContact O-N 3.15Å; Y242-L246 HydrophobicContact CE1-CB 4.49Å; Y242-L246 HydrophobicContact CE1-CD2 4.37Å; Y242-L246 WeakPolarHBondContact O-CB 3.33Å; Y242-L246 PolarHBondContact O-N 2.85Å; Y242-V314 HydrophobicContact CD1-CB 4.12Å; Y242-V314 HydrophobicContact CD1-CG1 4.06Å; Y242-V314 HydrophobicContact CE1-CB 4.05Å; Y242-V314 HydrophobicContact CE1-CG1 3.51Å; Y242-V314 WeakPolarHBondContact CE1-O 3.28Å; Y242-L315 HydrophobicContact CD2-CD2 4.05Å; Y242-L315 HydrophobicContact CG-CD2 4.15Å; Y242-P316 HydrophobicContact CE2-CG 4.07Å |
| 243 | K | 94.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.6 | -41.7 | -179.1 | -75.2 | 175.4 | 177.2 | 174.8 | 0 | 112.3 | Q239 S240 G241 A245 L246 R247 | Q239-K243 HydrophobicContact CG-CD 4.36Å; Q239-K243 VanDerWaalsContact NE2-CE 3.33Å; Q239-K243 WeakPolarHBondContact O-CG 3.37Å; Q239-K243 PolarHBondContact O-N 3.26Å; S240-K243 PolarHBondContact O-N 3.11Å; S240-K243 VanDerWaalsContact O-N 3.17Å; G241-K243 PolarHBondContact O-N 3.47Å; K243-A245 VanDerWaalsContact C-N 3.34Å; K243-L246 PolarHBondContact O-N 3.44Å; K243-R247 WeakPolarHBondContact O-CB 3.44Å; K243-R247 PolarHBondContact O-N 3.18Å |
| 244 | D | 95.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.4 | -71 | -35.2 | 0 | 0 | 0 | 111.2 | Y21 I193 P195 S240 G241 R247 F248 | Y21-D244 WeakPolarHBondContact CE2-OD2 3.09Å; Y21-D244 VanDerWaalsContact OH-CB 3.24Å; Y21-D244 WeakPolarHBondContact OH-CB 3.31Å; Y21-D244 PolarHBondContact OH-OD2 2.81Å; I193-D244 HydrophobicContact CG2-CB 4.14Å; P195-D244 VanDerWaalsContact CA-OD2 3.3Å; P195-D244 WeakPolarHBondContact CA-OD2 3.41Å; S240-D244 PolarHBondContact O-N 3.39Å; G241-D244 PolarHBondContact O-N 2.91Å; D244-R247 PolarHBondContact O-N 3.35Å; D244-R247 IonicContact OD1-CZ 2.89Å; D244-R247 VanDerWaalsContact OD1-CZ 3.23Å; D244-R247 IonicContact OD1-NH1 3.8Å; D244-R247 PolarHBondContact OD1-NH1 3.33Å; D244-R247 IonicContact OD1-NH2 3.61Å; D244-R247 PolarHBondContact OD1-NH2 2.77Å; D244-F248 PolarHBondContact O-N 3.45Å |
| 245 | A | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V25 C28 I193 G241 Y242 K243 R247 F248 L249 | V25-A245 HydrophobicContact CB-CB 4.3Å; V25-A245 HydrophobicContact CG1-CB 3.98Å; V25-A245 HydrophobicContact CG2-CB 4.35Å; C28-A245 HydrophobicContact CB-CB 3.7Å; I193-A245 HydrophobicContact CD1-CB 4.33Å; I193-A245 HydrophobicContact CG2-CB 4.14Å; G241-A245 WeakPolarHBondContact O-CB 3.34Å; G241-A245 PolarHBondContact O-N 2.9Å; Y242-A245 PolarHBondContact O-N 3.15Å; K243-A245 VanDerWaalsContact C-N 3.34Å; A245-R247 VanDerWaalsContact C-N 3.32Å; A245-R247 PolarHBondContact O-N 3.22Å; A245-F248 WeakPolarHBondContact O-CB 3.37Å; A245-F248 PolarHBondContact O-N 3.4Å; A245-L249 WeakPolarHBondContact O-CG 3.29Å; A245-L249 PolarHBondContact O-N 2.81Å |
| 246 | L | 94.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.6 | -178.5 | 64.3 | 0 | 0 | 0 | 111.5 | C28 K32 Y242 K243 L249 Q250 L255 | C28-L246 PolarHBondContact SG-N 2.71Å; C28-L246 VanDerWaalsContact SG-N 3.43Å; K32-L246 HydrophobicContact CG-CD1 4.13Å; Y242-L246 HydrophobicContact CE1-CB 4.49Å; Y242-L246 HydrophobicContact CE1-CD2 4.37Å; Y242-L246 WeakPolarHBondContact O-CB 3.33Å; Y242-L246 PolarHBondContact O-N 2.85Å; K243-L246 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 3.1Å; L246-Q250 VanDerWaalsContact O-CG 3.31Å; L246-Q250 WeakPolarHBondContact O-CG 3.47Å; L246-Q250 PolarHBondContact O-N 3.37Å; L246-L255 HydrophobicContact CD1-CD2 3.96Å |
| 247 | R | 94 | Very high | 90.6 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 21% | 0.208 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.3 | 178 | -173.5 | 64 | -141.5 | -11.5 | 111 | C194 K243 D244 A245 L249 Q250 E251 | C194-R247 PolarHBondContact O-NH2 3.49Å; K243-R247 WeakPolarHBondContact O-CB 3.44Å; K243-R247 PolarHBondContact O-N 3.18Å; D244-R247 PolarHBondContact O-N 3.35Å; D244-R247 IonicContact OD1-CZ 2.89Å; D244-R247 VanDerWaalsContact OD1-CZ 3.23Å; D244-R247 IonicContact OD1-NH1 3.8Å; D244-R247 PolarHBondContact OD1-NH1 3.33Å; D244-R247 IonicContact OD1-NH2 3.61Å; D244-R247 PolarHBondContact OD1-NH2 2.77Å; A245-R247 VanDerWaalsContact C-N 3.32Å; A245-R247 PolarHBondContact O-N 3.22Å; R247-L249 VanDerWaalsContact C-N 3.29Å; R247-L249 PolarHBondContact O-N 2.92Å; R247-Q250 PolarHBondContact O-N 2.93Å; R247-Q250 VanDerWaalsContact O-N 3.15Å; R247-E251 WeakPolarHBondContact CD-OE1 3.3Å; R247-E251 HydrophobicContact CG-CG 4.19Å; R247-E251 VanDerWaalsContact CG-OE1 3.29Å; R247-E251 WeakPolarHBondContact CG-OE1 3.31Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 WeakPolarHBondContact O-CG 3.32Å; R247-E251 PolarHBondContact O-N 2.73Å |
| 248 | F | 94.6 | Very high | 88.4 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 176.9 | 170.5 | -95.2 | 0 | 0 | 0 | 111.7 | I182 D192 I193 D244 A245 Q250 N252 L254 | I182-F248 HydrophobicContact CD1-CE1 3.99Å; I182-F248 HydrophobicContact CD1-CZ 4.15Å; I182-F248 HydrophobicContact CG1-CZ 4.23Å; I182-F248 HydrophobicContact CG2-CE1 3.99Å; I182-F248 HydrophobicContact CG2-CZ 3.89Å; D192-F248 HydrophobicContact CB-CD2 4.01Å; D192-F248 HydrophobicContact CB-CE2 3.63Å; D192-F248 HydrophobicContact CB-CZ 4.3Å; D192-F248 WeakPolarHBondContact O-CD2 3.47Å; I193-F248 HydrophobicContact CD1-CB 4.37Å; I193-F248 HydrophobicContact CD1-CD1 3.83Å; I193-F248 HydrophobicContact CD1-CE1 4.41Å; I193-F248 HydrophobicContact CD1-CG 4.14Å; I193-F248 HydrophobicContact CG1-CB 3.8Å; I193-F248 HydrophobicContact CG1-CD1 3.87Å; I193-F248 HydrophobicContact CG1-CD2 4.14Å; I193-F248 HydrophobicContact CG1-CG 3.65Å; D244-F248 PolarHBondContact O-N 3.45Å; A245-F248 WeakPolarHBondContact O-CB 3.37Å; A245-F248 PolarHBondContact O-N 3.4Å; F248-Q250 PolarHBondContact O-N 3.4Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.18Å; F248-N252 VanDerWaalsContact CE2-ND2 3.32Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.23Å; F248-N252 WeakPolarHBondContact O-CB 3.31Å; F248-N252 PolarHBondContact O-N 3.47Å; F248-N252 VanDerWaalsContact O-N 3.14Å; F248-N252 PolarHBondContact O-ND2 3.28Å; F248-L254 HydrophobicContact CE1-CD1 3.83Å; F248-L254 HydrophobicContact CZ-CD1 4.25Å |
| 249 | L | 93.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 177.1 | -65.2 | 175.9 | 0 | 0 | 0 | 112.3 | L29 K32 A33 L36 A245 L246 R247 N253 L254 L255 | L29-L249 HydrophobicContact CD2-CD1 4.33Å; L29-L249 HydrophobicContact CD2-CD2 4.03Å; L29-L249 HydrophobicContact CD2-CG 4.41Å; K32-L249 HydrophobicContact CB-CD1 3.78Å; A33-L249 HydrophobicContact CB-CD1 3.93Å; A33-L249 HydrophobicContact CB-CD2 3.79Å; L36-L249 HydrophobicContact CD1-CD2 3.46Å; L36-L249 VanDerWaalsContact CD1-CD2 3.46Å; A245-L249 WeakPolarHBondContact O-CG 3.29Å; A245-L249 PolarHBondContact O-N 2.81Å; L246-L249 PolarHBondContact O-N 3.1Å; R247-L249 VanDerWaalsContact C-N 3.29Å; R247-L249 PolarHBondContact O-N 2.92Å; L249-N253 PolarHBondContact O-N 2.92Å; L249-N253 VanDerWaalsContact O-N 3.14Å; L249-L254 HydrophobicContact CB-CB 4.5Å; L249-L254 HydrophobicContact CD2-CB 3.77Å; L249-L254 HydrophobicContact CD2-CD1 4.41Å; L249-L254 PolarHBondContact O-N 3.49Å; L249-L255 HydrophobicContact CB-CD2 3.64Å; L249-L255 HydrophobicContact CB-CG 4.1Å; L249-L255 HydrophobicContact CD1-CD2 4.01Å; L249-L255 HydrophobicContact CG-CD2 4.49Å |
| 250 | Q | 92.3 | Very high | 82.9 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -50.3 | 177.3 | -74.9 | 171.9 | -26.3 | 0 | 0 | 112 | L246 R247 F248 N252 N253 L255 | L246-Q250 VanDerWaalsContact O-CG 3.31Å; L246-Q250 WeakPolarHBondContact O-CG 3.47Å; L246-Q250 PolarHBondContact O-N 3.37Å; R247-Q250 PolarHBondContact O-N 2.93Å; R247-Q250 VanDerWaalsContact O-N 3.15Å; F248-Q250 PolarHBondContact O-N 3.4Å; Q250-N252 PolarHBondContact O-N 3.41Å; Q250-N253 PolarHBondContact O-N 2.85Å; Q250-N253 VanDerWaalsContact O-N 3.13Å; Q250-L255 HydrophobicContact CG-CD1 3.58Å; Q250-L255 HydrophobicContact CG-CG 4.3Å |
| 251 | E | 92.3 | Very high | 80 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -29.6 | -178.4 | -71.8 | 176.5 | 176.4 | 0 | 0 | 112.2 | R196 R247 | R196-E251 IonicContact CZ-OE1 3.76Å; R196-E251 IonicContact CZ-OE2 2.73Å; R196-E251 IonicContact NH1-OE1 3.49Å; R196-E251 PolarHBondContact NH1-OE1 3.4Å; R196-E251 IonicContact NH1-OE2 3.29Å; R196-E251 IonicContact NH2-OE1 3.48Å; R196-E251 PolarHBondContact NH2-OE1 2.87Å; R196-E251 IonicContact NH2-OE2 3.48Å; R196-E251 PolarHBondContact NH2-OE2 3.34Å; R247-E251 WeakPolarHBondContact CD-OE1 3.3Å; R247-E251 HydrophobicContact CG-CG 4.19Å; R247-E251 VanDerWaalsContact CG-OE1 3.29Å; R247-E251 WeakPolarHBondContact CG-OE1 3.31Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 WeakPolarHBondContact O-CG 3.32Å; R247-E251 PolarHBondContact O-N 2.73Å |
| 252 | N | 90.4 | Very high | 76.8 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.9 | 179.5 | -68.2 | -84.1 | 0 | 0 | 0 | 114 | F248 Q250 L254 | F248-N252 WeakPolarHBondContact CD2-ND2 3.18Å; F248-N252 VanDerWaalsContact CE2-ND2 3.32Å; F248-N252 WeakPolarHBondContact CE2-ND2 3.23Å; F248-N252 WeakPolarHBondContact O-CB 3.31Å; F248-N252 PolarHBondContact O-N 3.47Å; F248-N252 VanDerWaalsContact O-N 3.14Å; F248-N252 PolarHBondContact O-ND2 3.28Å; Q250-N252 PolarHBondContact O-N 3.41Å; N252-L254 HydrophobicContact CB-CD1 3.73Å; N252-L254 HydrophobicContact CB-CG 3.75Å; N252-L254 PolarHBondContact O-N 2.87Å |
| 253 | N | 89.1 | Confident | 73.9 | Confident | 146 Ų | 146 | 86 Ų | 86 | 78% | 0.781 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 38.8 | -176.5 | -55.5 | -70.9 | 0 | 0 | 0 | 113.6 | L249 Q250 | L249-N253 PolarHBondContact O-N 2.92Å; L249-N253 VanDerWaalsContact O-N 3.14Å; Q250-N253 PolarHBondContact O-N 2.85Å; Q250-N253 VanDerWaalsContact O-N 3.13Å |
| 254 | L | 88.9 | Confident | 71 | Confident | 12 Ų | 12 | 89 Ų | 89 | 6% | 0.063 | 47% | 0.473 | C | S | . | . | trans | -99.4 | 1.1 | -177.6 | -63.5 | 176.1 | 0 | 0 | 0 | 113.4 | L4 Y35 L36 F248 L249 N252 M256 | L4-L254 HydrophobicContact CD1-CD2 4.37Å; Y35-L254 WeakPolarHBondContact CE1-O 3.31Å; Y35-L254 WeakPolarHBondContact OH-CA 3.3Å; Y35-L254 WeakPolarHBondContact OH-CB 3.48Å; Y35-L254 PolarHBondContact OH-O 3.15Å; L36-L254 HydrophobicContact CD1-CB 4.34Å; L36-L254 HydrophobicContact CD1-CD1 4.18Å; F248-L254 HydrophobicContact CE1-CD1 3.83Å; F248-L254 HydrophobicContact CZ-CD1 4.25Å; L249-L254 HydrophobicContact CB-CB 4.5Å; L249-L254 HydrophobicContact CD2-CB 3.77Å; L249-L254 HydrophobicContact CD2-CD1 4.41Å; L249-L254 PolarHBondContact O-N 3.49Å; N252-L254 HydrophobicContact CB-CD1 3.73Å; N252-L254 HydrophobicContact CB-CG 3.75Å; N252-L254 PolarHBondContact O-N 2.87Å; L254-M256 PolarHBondContact O-N 2.94Å | ||
| 255 | L | 87 | Confident | 68.4 | Low | 55 Ų | 55 | 93.6 Ų | 93.6 | 29% | 0.288 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -62.4 | 137.7 | 173 | -67 | 177.2 | 0 | 0 | 0 | 109.9 | K32 L246 L249 Q250 L257 | K32-L255 HydrophobicContact CB-CD2 3.91Å; K32-L255 HydrophobicContact CG-CD2 4.47Å; L246-L255 HydrophobicContact CD1-CD2 3.96Å; L249-L255 HydrophobicContact CB-CD2 3.64Å; L249-L255 HydrophobicContact CB-CG 4.1Å; L249-L255 HydrophobicContact CD1-CD2 4.01Å; L249-L255 HydrophobicContact CG-CD2 4.49Å; Q250-L255 HydrophobicContact CG-CD1 3.58Å; Q250-L255 HydrophobicContact CG-CG 4.3Å; L255-L257 PolarHBondContact O-N 3.2Å |
| 256 | M | 77.1 | Confident | 65.4 | Low | 108 Ų | 108 | 101 Ų | 101 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | trans | -60.8 | 107.4 | 158.8 | -102.7 | -174.7 | 66.6 | 0 | 0 | 107.1 | K32 P34 Y35 L254 D258 | K32-M256 PolarHBondContact O-N 2.99Å; K32-M256 VanDerWaalsContact O-N 3.11Å; P34-M256 HydrophobicContact CG-SD 4.46Å; Y35-M256 HydrophobicContact CD1-CG 4.3Å; Y35-M256 HydrophobicContact CE1-CG 4.4Å; L254-M256 PolarHBondContact O-N 2.94Å; M256-D258 PolarHBondContact O-N 2.79Å | ||
| 257 | L | 56.1 | Low | 62.5 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 82% | 0.822 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 120.7 | 154.3 | -82.5 | 97.9 | 0 | 0 | 0 | 105.5 | L255 C259 | L255-L257 PolarHBondContact O-N 3.2Å; L257-C259 PolarHBondContact O-N 2.91Å; L257-C259 VanDerWaalsContact O-N 3.12Å |
| 258 | D | 45.8 | Very low | 59.5 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 78% | 0.775 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.9 | 168.8 | -75.7 | -45.1 | 0 | 0 | 0 | 108.7 | M256 | M256-D258 PolarHBondContact O-N 2.79Š|
| 259 | C | 32.1 | Very low | 56.4 | Low | 115 Ų | 115 | 110.4 Ų | 110.4 | 78% | 0.777 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.4 | 169.3 | -148.8 | 0 | 0 | 0 | 0 | 107.2 | L257 S261 | L257-C259 PolarHBondContact O-N 2.91Å; L257-C259 VanDerWaalsContact O-N 3.12Å; C259-S261 PolarHBondContact O-N 3.14Å |
| 260 | P | 41.8 | Very low | 53.4 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | -72.2 | 105.4 | -174.7 | 28.3 | -31.7 | 0 | 0 | 0 | 109.9 | ||||
| 261 | S | 31.8 | Very low | 50.4 | Low | 109 Ų | 109 | 116.7 Ų | 116.7 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -150.2 | 116.1 | 158.6 | 80.4 | 0 | 0 | 0 | 0 | 106.9 | C259 | C259-S261 PolarHBondContact O-N 3.14Š| ||
| 262 | R | 28.6 | Very low | 47.3 | Very low | 246 Ų | 246 | 120.7 Ų | 120.7 | 93% | 0.928 | 71% | 0.706 | S | S | * | * | cis | -131.6 | 115.2 | 40.6 | -78.1 | 164.9 | 156.6 | 159 | -6.8 | 111.7 | ||||
| 263 | S | 36.2 | Very low | 44.4 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -76.7 | 126.4 | 139.9 | 49.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 264 | L | 33 | Very low | 41.6 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | 163.4 | 146.4 | 140.4 | -87.8 | 153.5 | 0 | 0 | 0 | 110.2 | ||||
| 265 | P | 40.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -124.7 | 165.8 | -24.9 | 28.6 | -9.5 | 0 | 0 | 0 | 112.9 | S267 | P265-S267 PolarHBondContact O-N 2.82Š| ||
| 266 | D | 34.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -42.2 | 126.6 | 158.8 | -85.3 | -41.5 | 0 | 0 | 0 | 111.8 | ||||
| 267 | S | 31.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 92.7 | 155.8 | 176.5 | 0 | 0 | 0 | 0 | 106.9 | P265 | P265-S267 PolarHBondContact O-N 2.82Š| ||
| 268 | S | 32.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -96.6 | 134.6 | 169.4 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 269 | G | 29.2 | Very low | 31.9 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 95.3 | 133.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 270 | I | 31.1 | Very low | 31.8 | Very low | 175 Ų | 175 | 124 Ų | 124 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | cis | -161.7 | 147.6 | 25.9 | -70.1 | -179.2 | 0 | 0 | 0 | 108.8 | ||||
| 271 | G | 27.9 | Very low | 31.5 | Very low | 62 Ų | 62 | 123.8 Ų | 123.8 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | 124.2 | 83.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 272 | L | 28.9 | Very low | 31.3 | Very low | 185 Ų | 185 | 124 Ų | 124 | 97% | 0.969 | 81% | 0.81 | S | S | * | * | 62.1 | 116.6 | 100.3 | -108.2 | 79.1 | 0 | 0 | 0 | 116.5 | |||||
| 273 | G | 28.8 | Very low | 31.2 | Very low | 83 Ų | 83 | 117.9 Ų | 117.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | 172.9 | 80.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 274 | S | 29.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 119 Ų | 119 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -82.2 | 148.6 | 179.9 | 39 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 275 | G | 29.4 | Very low | 30.9 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 136.1 | 149 | 148 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 276 | P | 41.2 | Very low | 30.8 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | -124.2 | 172.9 | -141.3 | 38.6 | -21.9 | 0 | 0 | 0 | 116.1 | ||||
| 277 | G | 27.3 | Very low | 31.2 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 149.8 | 101.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 278 | S | 27.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | 77.1 | 114.1 | 91.9 | 68.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 279 | D | 27.3 | Very low | 32.6 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 52.8 | 118.7 | 146.8 | -56.1 | -19.7 | 0 | 0 | 0 | 121.4 | ||||
| 280 | S | 28.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | -175.2 | 130.1 | 116.7 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 281 | S | 36.5 | Very low | 36.1 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -51.6 | 131.7 | 161.9 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 282 | S | 26.9 | Very low | 37.8 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -153.7 | 109.9 | 153.4 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | C284 | S282-C284 PolarHBondContact O-N 3.03Š| ||
| 283 | C | 26 | Very low | 39.5 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -49.2 | 122.4 | 166.1 | -85.2 | 0 | 0 | 0 | 0 | 110.3 | S285 | C283-S285 PolarHBondContact O-N 3.45Š| ||
| 284 | C | 30.6 | Very low | 41.4 | Very low | 129 Ų | 129 | 116.4 Ų | 116.4 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -69.5 | 93.6 | 169.6 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | S282 K286 | S282-C284 PolarHBondContact O-N 3.03Å; C284-K286 PolarHBondContact O-N 2.8Å | ||
| 285 | S | 32.4 | Very low | 43.3 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -58.2 | 115 | 159.5 | -51.8 | 0 | 0 | 0 | 0 | 108.9 | C283 | C283-S285 PolarHBondContact O-N 3.45Š| ||
| 286 | K | 39.8 | Very low | 45.2 | Very low | 196 Ų | 196 | 113.5 Ų | 113.5 | 85% | 0.852 | 69% | 0.69 | S | S | * | * | trans | -64.4 | 131.4 | 169.4 | -64.9 | 179.1 | -178.6 | 175.5 | 0 | 108.2 | C284 A288 | C284-K286 PolarHBondContact O-N 2.8Å; K286-A288 PolarHBondContact O-N 3.49Å | ||
| 287 | P | 42 | Very low | 46.3 | Very low | 122 Ų | 122 | 113.2 Ų | 113.2 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -64.8 | 138.2 | 172.4 | 25.4 | -29.7 | 0 | 0 | 0 | 109.4 | E289 | P287-E289 PolarHBondContact O-N 2.91Å; P287-E289 VanDerWaalsContact O-N 3.12Å | ||
| 288 | A | 46.6 | Very low | 47.7 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | trans | -62.9 | 111.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | K286 S290 | K286-A288 PolarHBondContact O-N 3.49Å; A288-S290 PolarHBondContact O-N 2.92Å | ||
| 289 | E | 46.5 | Very low | 48.9 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 41% | 0.407 | 65% | 0.649 | S | S | . | * | trans | -58.6 | 119.7 | 178.9 | -164.5 | 174.4 | -154.2 | 0 | 0 | 108.6 | P287 E293 W294 R297 | P287-E289 PolarHBondContact O-N 2.91Å; P287-E289 VanDerWaalsContact O-N 3.12Å; E289-E293 HydrophobicContact CG-CB 4.04Å; E289-W294 HydrophobicContact CG-CB 4.37Å; E289-R297 WeakPolarHBondContact OE1-CD 3.42Å; E289-R297 IonicContact OE1-CZ 2.87Å; E289-R297 IonicContact OE1-NE 3.09Å; E289-R297 IonicContact OE1-NH1 3.91Å; E289-R297 PolarHBondContact OE1-NH1 3.34Å; E289-R297 IonicContact OE2-NH1 2.73Å; E289-R297 PolarHBondContact OE2-NH1 3.39Å; E289-R297 VanDerWaalsContact OE2-NH1 3.09Å | ||
| 290 | S | 70 | Confident | 50.2 | Low | 53 Ų | 53 | 117.2 Ų | 117.2 | 37% | 0.371 | 64% | 0.643 | S | S | . | * | trans | -66.7 | 149.1 | 179 | 69.8 | 0 | 0 | 0 | 0 | 110 | A288 K292 E293 W294 | A288-S290 PolarHBondContact O-N 2.92Å; S290-K292 PolarHBondContact O-N 3.43Å; S290-E293 WeakPolarHBondContact CB-OE2 3.44Å; S290-E293 PolarHBondContact N-OE2 3.48Å; S290-E293 WeakPolarHBondContact O-CA 3.24Å; S290-E293 PolarHBondContact O-N 3.43Å; S290-E293 VanDerWaalsContact OG-CD 3.28Å; S290-E293 WeakPolarHBondContact OG-CG 3.44Å; S290-E293 PolarHBondContact OG-N 3.04Å; S290-E293 PolarHBondContact OG-OE2 2.91Å; S290-W294 PolarHBondContact O-N 2.68Å | ||
| 291 | T | 64.3 | Low | 51.1 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.7 | -30.6 | 178.8 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | V295 | T291-V295 HydrophobicContact CG2-CG2 4.44Å; T291-V295 VanDerWaalsContact O-CB 3.28Å; T291-V295 WeakPolarHBondContact O-CB 3.34Å; T291-V295 WeakPolarHBondContact O-CG2 3.36Å; T291-V295 PolarHBondContact O-N 2.99Å |
| 292 | K | 64.3 | Low | 51.5 | Low | 162 Ų | 162 | 116.5 Ų | 116.5 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.4 | -41.8 | 175.5 | -170 | 178.1 | 179.3 | -178.3 | 0 | 112.4 | S290 V295 L296 | S290-K292 PolarHBondContact O-N 3.43Å; K292-V295 PolarHBondContact O-N 3.22Å; K292-L296 HydrophobicContact CG-CD1 4.24Å; K292-L296 VanDerWaalsContact O-CB 3.3Å; K292-L296 WeakPolarHBondContact O-CB 3.35Å; K292-L296 VanDerWaalsContact O-CG 3.23Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 3.32Å |
| 293 | E | 63.2 | Low | 52 | Low | 108 Ų | 108 | 118 Ų | 118 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.8 | -39.7 | 175.5 | -71.8 | 161.5 | 151.9 | 0 | 0 | 111.6 | E289 S290 L296 R297 | E289-E293 HydrophobicContact CG-CB 4.04Å; S290-E293 WeakPolarHBondContact CB-OE2 3.44Å; S290-E293 PolarHBondContact N-OE2 3.48Å; S290-E293 WeakPolarHBondContact O-CA 3.24Å; S290-E293 PolarHBondContact O-N 3.43Å; S290-E293 VanDerWaalsContact OG-CD 3.28Å; S290-E293 WeakPolarHBondContact OG-CG 3.44Å; S290-E293 PolarHBondContact OG-N 3.04Å; S290-E293 PolarHBondContact OG-OE2 2.91Å; E293-L296 PolarHBondContact O-N 2.79Å; E293-R297 WeakPolarHBondContact O-CB 3.31Å; E293-R297 PolarHBondContact O-N 3.49Å |
| 294 | W | 68.3 | Low | 52.6 | Low | 118 Ų | 118 | 118.7 Ų | 118.7 | 45% | 0.447 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.1 | -44.3 | 172.9 | -176.4 | 94.4 | 0 | 0 | 0 | 111.6 | E289 S290 R297 R298 | E289-W294 HydrophobicContact CG-CB 4.37Å; S290-W294 PolarHBondContact O-N 2.68Å; W294-R297 PolarHBondContact O-N 3.28Å; W294-R298 HydrophobicContact CE3-CB 4.46Å; W294-R298 HydrophobicContact CH2-CG 4.47Å; W294-R298 HydrophobicContact CZ3-CB 4.47Å; W294-R298 HydrophobicContact CZ3-CG 4.44Å; W294-R298 VanDerWaalsContact O-CB 3.26Å; W294-R298 WeakPolarHBondContact O-CB 3.01Å; W294-R298 PolarHBondContact O-N 3.01Å |
| 295 | V | 71.2 | Confident | 53.1 | Low | 61 Ų | 61 | 120.5 Ų | 120.5 | 37% | 0.37 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 176.3 | 169 | 0 | 0 | 0 | 0 | 111 | T291 K292 R297 R298 L299 | T291-V295 HydrophobicContact CG2-CG2 4.44Å; T291-V295 VanDerWaalsContact O-CB 3.28Å; T291-V295 WeakPolarHBondContact O-CB 3.34Å; T291-V295 WeakPolarHBondContact O-CG2 3.36Å; T291-V295 PolarHBondContact O-N 2.99Å; K292-V295 PolarHBondContact O-N 3.22Å; V295-R297 VanDerWaalsContact C-N 3.32Å; V295-R297 PolarHBondContact O-N 2.97Å; V295-R298 CarbonylContact O-C 3.58Å; V295-R298 PolarHBondContact O-N 3.37Å; V295-L299 HydrophobicContact CG1-CD1 3.68Å; V295-L299 HydrophobicContact CG1-CG 4.26Å; V295-L299 VanDerWaalsContact O-CB 3.24Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 VanDerWaalsContact O-CG 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.46Å; V295-L299 PolarHBondContact O-N 3.19Å |
| 296 | L | 67.8 | Low | 53.8 | Low | 79 Ų | 79 | 119.3 Ų | 119.3 | 41% | 0.414 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.4 | -33 | 175.4 | -76.7 | 170.5 | 0 | 0 | 0 | 112.6 | K292 E293 R300 | K292-L296 HydrophobicContact CG-CD1 4.24Å; K292-L296 VanDerWaalsContact O-CB 3.3Å; K292-L296 WeakPolarHBondContact O-CB 3.35Å; K292-L296 VanDerWaalsContact O-CG 3.23Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 3.32Å; E293-L296 PolarHBondContact O-N 2.79Å; L296-R300 WeakPolarHBondContact O-CB 3.32Å; L296-R300 PolarHBondContact O-N 3.43Å |
| 297 | R | 65.6 | Low | 54.1 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.2 | -41.5 | 172.5 | -177.4 | 178.6 | 167 | -161.8 | -3.5 | 111.2 | E289 E293 W294 V295 L299 R300 L301 | E289-R297 WeakPolarHBondContact OE1-CD 3.42Å; E289-R297 IonicContact OE1-CZ 2.87Å; E289-R297 IonicContact OE1-NE 3.09Å; E289-R297 IonicContact OE1-NH1 3.91Å; E289-R297 PolarHBondContact OE1-NH1 3.34Å; E289-R297 IonicContact OE2-NH1 2.73Å; E289-R297 PolarHBondContact OE2-NH1 3.39Å; E289-R297 VanDerWaalsContact OE2-NH1 3.09Å; E293-R297 WeakPolarHBondContact O-CB 3.31Å; E293-R297 PolarHBondContact O-N 3.49Å; W294-R297 PolarHBondContact O-N 3.28Å; V295-R297 VanDerWaalsContact C-N 3.32Å; V295-R297 PolarHBondContact O-N 2.97Å; R297-L299 VanDerWaalsContact C-N 3.32Å; R297-R300 CarbonylContact O-C 3.23Å; R297-R300 PolarHBondContact O-N 3.48Å; R297-L301 HydrophobicContact CG-CD1 4.25Å; R297-L301 WeakPolarHBondContact O-CB 3.42Å; R297-L301 WeakPolarHBondContact O-CG 3.46Å; R297-L301 PolarHBondContact O-N 3.17Å |
| 298 | R | 56.6 | Low | 54.6 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 173.3 | -159.8 | 96.8 | 176.4 | -163.5 | 1.1 | 111.1 | W294 V295 L301 L302 | W294-R298 HydrophobicContact CE3-CB 4.46Å; W294-R298 HydrophobicContact CH2-CG 4.47Å; W294-R298 HydrophobicContact CZ3-CB 4.47Å; W294-R298 HydrophobicContact CZ3-CG 4.44Å; W294-R298 VanDerWaalsContact O-CB 3.26Å; W294-R298 WeakPolarHBondContact O-CB 3.01Å; W294-R298 PolarHBondContact O-N 3.01Å; V295-R298 CarbonylContact O-C 3.58Å; V295-R298 PolarHBondContact O-N 3.37Å; R298-L301 CarbonylContact O-C 3.59Å; R298-L301 PolarHBondContact O-N 3.07Å; R298-L302 HydrophobicContact CG-CD1 4.28Å; R298-L302 VanDerWaalsContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CB 3.34Å; R298-L302 WeakPolarHBondContact O-CD1 3.44Å; R298-L302 VanDerWaalsContact O-CG 3.27Å; R298-L302 WeakPolarHBondContact O-CG 3.42Å; R298-L302 PolarHBondContact O-N 3.27Å |
| 299 | L | 53.2 | Low | 54.6 | Low | 94 Ų | 94 | 110.7 Ų | 110.7 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71 | -36.5 | 173.3 | -77.3 | 165.6 | 0 | 0 | 0 | 111.8 | V295 R297 L301 L302 H303 | V295-L299 HydrophobicContact CG1-CD1 3.68Å; V295-L299 HydrophobicContact CG1-CG 4.26Å; V295-L299 VanDerWaalsContact O-CB 3.24Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 VanDerWaalsContact O-CG 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.46Å; V295-L299 PolarHBondContact O-N 3.19Å; R297-L299 VanDerWaalsContact C-N 3.32Å; L299-L301 VanDerWaalsContact C-N 3.29Å; L299-L301 PolarHBondContact O-N 3.34Å; L299-L302 CarbonylContact O-C 3.55Å; L299-L302 PolarHBondContact O-N 3.39Å; L299-H303 VanDerWaalsContact O-CB 3.28Å; L299-H303 WeakPolarHBondContact O-CB 3.41Å; L299-H303 PolarHBondContact O-N 3.42Å |
| 300 | R | 54 | Low | 54.7 | Low | 189 Ų | 189 | 110.4 Ų | 110.4 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -27.1 | 168.1 | -90 | -175.4 | -100.5 | -173.8 | -7.6 | 113.3 | L296 R297 H303 | L296-R300 WeakPolarHBondContact O-CB 3.32Å; L296-R300 PolarHBondContact O-N 3.43Å; R297-R300 CarbonylContact O-C 3.23Å; R297-R300 PolarHBondContact O-N 3.48Å; R300-H303 VanDerWaalsContact O-O 3.08Å |
| 301 | L | 47.1 | Very low | 53.8 | Low | 94 Ų | 94 | 117 Ų | 117 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.2 | -29.7 | 173.2 | -71.4 | 165.6 | 0 | 0 | 0 | 112.2 | R297 R298 L299 | R297-L301 HydrophobicContact CG-CD1 4.25Å; R297-L301 WeakPolarHBondContact O-CB 3.42Å; R297-L301 WeakPolarHBondContact O-CG 3.46Å; R297-L301 PolarHBondContact O-N 3.17Å; R298-L301 CarbonylContact O-C 3.59Å; R298-L301 PolarHBondContact O-N 3.07Å; L299-L301 VanDerWaalsContact C-N 3.29Å; L299-L301 PolarHBondContact O-N 3.34Å |
| 302 | L | 44.8 | Very low | 53.2 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.6 | -27.4 | 172.8 | -79.4 | 160.3 | 0 | 0 | 0 | 112.3 | R298 L299 N304 | R298-L302 HydrophobicContact CG-CD1 4.28Å; R298-L302 VanDerWaalsContact O-CB 3.3Å; R298-L302 WeakPolarHBondContact O-CB 3.34Å; R298-L302 WeakPolarHBondContact O-CD1 3.44Å; R298-L302 VanDerWaalsContact O-CG 3.27Å; R298-L302 WeakPolarHBondContact O-CG 3.42Å; R298-L302 PolarHBondContact O-N 3.27Å; L299-L302 CarbonylContact O-C 3.55Å; L299-L302 PolarHBondContact O-N 3.39Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.3Å |
| 303 | H | 38.2 | Very low | 53 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 66% | 0.662 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -73.9 | 92.5 | 166.3 | -160.6 | 82.1 | 0 | 0 | 0 | 107 | L299 R300 K305 | L299-H303 VanDerWaalsContact O-CB 3.28Å; L299-H303 WeakPolarHBondContact O-CB 3.41Å; L299-H303 PolarHBondContact O-N 3.42Å; R300-H303 VanDerWaalsContact O-O 3.08Å; H303-K305 PolarHBondContact O-N 2.84Å |
| 304 | N | 39.2 | Very low | 53.6 | Low | 133 Ų | 133 | 109 Ų | 109 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | trans | -19 | 102.8 | -178.8 | -72.1 | -37.6 | 0 | 0 | 0 | 112.4 | L302 H306 | L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.3Å; N304-H306 PolarHBondContact O-N 3.39Å | ||
| 305 | K | 39.4 | Very low | 54.3 | Low | 167 Ų | 167 | 103.7 Ų | 103.7 | 73% | 0.726 | 49% | 0.487 | S | S | * | . | trans | -48.4 | 111.3 | 161.6 | -84.2 | -174.1 | 173 | -172.9 | 0 | 106.2 | H303 W307 | H303-K305 PolarHBondContact O-N 2.84Å; K305-W307 PolarHBondContact O-N 2.95Å | ||
| 306 | H | 48.2 | Very low | 55 | Low | 86 Ų | 86 | 101.5 Ų | 101.5 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | trans | -57.6 | 104.4 | 177.8 | -77.5 | -51.3 | 0 | 0 | 0 | 107.7 | N304 W308 L309 | N304-H306 PolarHBondContact O-N 3.39Å; H306-W308 HydrophobicContact CB-CD2 3.69Å; H306-W308 VanDerWaalsContact CB-CE2 3.43Å; H306-W308 HydrophobicContact CB-CE3 4.03Å; H306-W308 HydrophobicContact CB-CG 4.31Å; H306-W308 HydrophobicContact CB-CH2 4.14Å; H306-W308 HydrophobicContact CB-CZ2 3.72Å; H306-W308 HydrophobicContact CB-CZ3 4.23Å; H306-W308 AromaticContact CD2-CZ2 3.98Å; H306-W308 AromaticContact CE1-CH2 3.35Å; H306-W308 WeakPolarHBondContact CE1-CH2 3.42Å; H306-W308 AromaticContact CE1-CZ2 3.31Å; H306-W308 WeakPolarHBondContact CE1-CZ2 3.49Å; H306-W308 AromaticContact CG-CE2 3.57Å; H306-W308 AromaticContact CG-CH2 3.67Å; H306-W308 AromaticContact CG-CZ2 3.29Å; H306-W308 AromaticContact ND1-CE2 3.59Å; H306-W308 AromaticContact ND1-CH2 2.79Å; H306-W308 WeakPolarHBondContact ND1-CH2 3.45Å; H306-W308 AromaticContact ND1-CZ2 2.85Å; H306-W308 WeakPolarHBondContact ND1-CZ2 3.49Å; H306-W308 AromaticContact ND1-CZ3 3.44Å; H306-W308 WeakPolarHBondContact ND1-CZ3 3Å; H306-W308 AromaticContact NE2-CZ2 3.99Å; H306-W308 PolarHBondContact O-N 3.06Å; H306-L309 HydrophobicContact CB-CB 4.48Å; H306-L309 HydrophobicContact CB-CD1 3.68Å; H306-L309 WeakPolarHBondContact O-CB 3.37Å; H306-L309 PolarHBondContact O-N 2.85Å | ||
| 307 | W | 45.8 | Very low | 55.9 | Low | 55 Ų | 55 | 103.4 Ų | 103.4 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -57.8 | -20.4 | -172.8 | 75.6 | -85.6 | 0 | 0 | 0 | 112.7 | K232 A235 K305 D310 I313 F323 C327 | K232-W307 HydrophobicContact CG-CD2 4.32Å; A235-W307 HydrophobicContact CB-CH2 3.13Å; A235-W307 HydrophobicContact CB-CZ2 3.96Å; A235-W307 HydrophobicContact CB-CZ3 3.73Å; K305-W307 PolarHBondContact O-N 2.95Å; W307-D310 WeakPolarHBondContact O-CB 3.3Å; W307-D310 PolarHBondContact O-N 2.59Å; W307-I313 HydrophobicContact CE3-CD1 3.96Å; W307-I313 HydrophobicContact CZ3-CD1 3.72Å; W307-I313 WeakPolarHBondContact O-CD1 3.43Å; W307-F323 HydrophobicContact CH2-CB 4.14Å; W307-F323 HydrophobicContact CZ2-CB 4.23Å; W307-C327 VanDerWaalsContact CZ2-SG 3.59Å; W307-C327 PolarHBondContact NE1-SG 2.89Å |
| 308 | W | 51.6 | Low | 56.9 | Low | 53 Ų | 53 | 100.9 Ų | 100.9 | 20% | 0.201 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -79.4 | -11 | 177.1 | 60.5 | 85.7 | 0 | 0 | 0 | 115.5 | H306 D310 C324 C327 Q328 | H306-W308 HydrophobicContact CB-CD2 3.69Å; H306-W308 VanDerWaalsContact CB-CE2 3.43Å; H306-W308 HydrophobicContact CB-CE3 4.03Å; H306-W308 HydrophobicContact CB-CG 4.31Å; H306-W308 HydrophobicContact CB-CH2 4.14Å; H306-W308 HydrophobicContact CB-CZ2 3.72Å; H306-W308 HydrophobicContact CB-CZ3 4.23Å; H306-W308 AromaticContact CD2-CZ2 3.98Å; H306-W308 AromaticContact CE1-CH2 3.35Å; H306-W308 WeakPolarHBondContact CE1-CH2 3.42Å; H306-W308 AromaticContact CE1-CZ2 3.31Å; H306-W308 WeakPolarHBondContact CE1-CZ2 3.49Å; H306-W308 AromaticContact CG-CE2 3.57Å; H306-W308 AromaticContact CG-CH2 3.67Å; H306-W308 AromaticContact CG-CZ2 3.29Å; H306-W308 AromaticContact ND1-CE2 3.59Å; H306-W308 AromaticContact ND1-CH2 2.79Å; H306-W308 WeakPolarHBondContact ND1-CH2 3.45Å; H306-W308 AromaticContact ND1-CZ2 2.85Å; H306-W308 WeakPolarHBondContact ND1-CZ2 3.49Å; H306-W308 AromaticContact ND1-CZ3 3.44Å; H306-W308 WeakPolarHBondContact ND1-CZ3 3Å; H306-W308 AromaticContact NE2-CZ2 3.99Å; H306-W308 PolarHBondContact O-N 3.06Å; W308-D310 VanDerWaalsContact C-N 3.32Å; W308-C324 WeakPolarHBondContact CB-SG 3.48Å; W308-C324 HydrophobicContact CG-CB 4.42Å; W308-C327 HydrophobicContact CZ3-CB 4.44Å; W308-Q328 HydrophobicContact CH2-CG 3.95Å; W308-Q328 HydrophobicContact CZ2-CG 4.12Å |
| 309 | L | 47.5 | Very low | 58.6 | Low | 130 Ų | 130 | 94.5 Ų | 94.5 | 68% | 0.681 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -92.3 | 7.3 | 172.8 | -92.3 | 133.8 | 0 | 0 | 0 | 112.3 | H306 E311 | H306-L309 HydrophobicContact CB-CB 4.48Å; H306-L309 HydrophobicContact CB-CD1 3.68Å; H306-L309 WeakPolarHBondContact O-CB 3.37Å; H306-L309 PolarHBondContact O-N 2.85Å; L309-E311 PolarHBondContact O-N 3.37Å |
| 310 | D | 49.5 | Very low | 60.2 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | trans | -69.5 | 117.8 | 176.9 | -159.9 | -20.7 | 0 | 0 | 0 | 110 | W307 W308 H312 I313 | W307-D310 WeakPolarHBondContact O-CB 3.3Å; W307-D310 PolarHBondContact O-N 2.59Å; W308-D310 VanDerWaalsContact C-N 3.32Å; D310-H312 PolarHBondContact O-N 2.91Å; D310-H312 WeakPolarHBondContact OD1-CB 3.46Å; D310-H312 IonicContact OD1-CD2 3.1Å; D310-H312 PolarHBondContact OD1-CD2 3.4Å; D310-H312 IonicContact OD1-CG 3.63Å; D310-H312 PolarHBondContact OD1-N 3.23Å; D310-I313 HydrophobicContact CB-CD1 4.36Å; D310-I313 HydrophobicContact CB-CG1 4.28Å; D310-I313 PolarHBondContact O-N 3.37Å | ||
| 311 | E | 50.3 | Low | 61.8 | Low | 191 Ų | 191 | 90 Ų | 90 | 89% | 0.893 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.5 | 175.1 | -84.7 | -177.2 | 142 | 0 | 0 | 112.1 | L309 I313 | L309-E311 PolarHBondContact O-N 3.37Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 2.84Å |
| 312 | H | 52.2 | Low | 63.8 | Low | 141 Ų | 141 | 85.8 Ų | 85.8 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3 | 178.3 | -61.1 | -56.7 | 0 | 0 | 0 | 114.9 | Q239 D310 V314 | Q239-H312 PolarHBondContact NE2-O 2.86Å; D310-H312 PolarHBondContact O-N 2.91Å; D310-H312 WeakPolarHBondContact OD1-CB 3.46Å; D310-H312 IonicContact OD1-CD2 3.1Å; D310-H312 PolarHBondContact OD1-CD2 3.4Å; D310-H312 IonicContact OD1-CG 3.63Å; D310-H312 PolarHBondContact OD1-N 3.23Å; H312-V314 PolarHBondContact O-N 3.4Å |
| 313 | I | 59.2 | Low | 65.8 | Low | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | trans | -81.6 | 113.7 | 173.6 | -59.2 | 174.1 | 0 | 0 | 0 | 110 | W307 D310 E311 L315 K320 | W307-I313 HydrophobicContact CE3-CD1 3.96Å; W307-I313 HydrophobicContact CZ3-CD1 3.72Å; W307-I313 WeakPolarHBondContact O-CD1 3.43Å; D310-I313 HydrophobicContact CB-CD1 4.36Å; D310-I313 HydrophobicContact CB-CG1 4.28Å; D310-I313 PolarHBondContact O-N 3.37Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 2.84Å; I313-L315 VanDerWaalsContact C-N 3.33Å; I313-L315 HydrophobicContact CG2-CB 3.91Å; I313-L315 HydrophobicContact CG2-CD1 4.07Å; I313-L315 HydrophobicContact CG2-CG 4.12Å; I313-L315 PolarHBondContact O-N 3.27Å; I313-K320 HydrophobicContact CG2-CD 4.38Å; I313-K320 HydrophobicContact CG2-CG 4.17Å; I313-K320 WeakPolarHBondContact O-CE 3.19Å; I313-K320 PolarHBondContact O-NZ 2.92Å | ||
| 314 | V | 75.8 | Confident | 68 | Low | 62 Ų | 62 | 74 Ų | 74 | 38% | 0.376 | 36% | 0.362 | S | S | . | . | trans | -87.2 | 0.6 | -177 | -158.9 | 0 | 0 | 0 | 0 | 112.7 | Y242 H312 | Y242-V314 HydrophobicContact CD1-CB 4.12Å; Y242-V314 HydrophobicContact CD1-CG1 4.06Å; Y242-V314 HydrophobicContact CE1-CB 4.05Å; Y242-V314 HydrophobicContact CE1-CG1 3.51Å; Y242-V314 WeakPolarHBondContact CE1-O 3.28Å; H312-V314 PolarHBondContact O-N 3.4Å | ||
| 315 | L | 84.2 | Confident | 70.2 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -68 | 150.5 | -178.6 | -71.1 | 167.7 | 0 | 0 | 0 | 112.9 | C238 Q239 Y242 I313 I319 K320 F323 | C238-L315 HydrophobicContact CB-CD1 4.36Å; Q239-L315 HydrophobicContact CB-CD1 4.07Å; Q239-L315 HydrophobicContact CB-CG 4.25Å; Y242-L315 HydrophobicContact CD2-CD2 4.05Å; Y242-L315 HydrophobicContact CG-CD2 4.15Å; I313-L315 VanDerWaalsContact C-N 3.33Å; I313-L315 HydrophobicContact CG2-CB 3.91Å; I313-L315 HydrophobicContact CG2-CD1 4.07Å; I313-L315 HydrophobicContact CG2-CG 4.12Å; I313-L315 PolarHBondContact O-N 3.27Å; L315-I319 HydrophobicContact CD1-CG2 4.28Å; L315-I319 HydrophobicContact CD2-CG2 4.3Å; L315-K320 HydrophobicContact CB-CG 3.98Å; L315-K320 WeakPolarHBondContact O-CD 2.9Å; L315-K320 WeakPolarHBondContact O-CE 3.41Å; L315-K320 PolarHBondContact O-NZ 3.34Å; L315-F323 HydrophobicContact CD1-CD2 4.42Å; L315-F323 HydrophobicContact CD1-CE2 4.31Å |
| 316 | P | 86 | Confident | 72.2 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | trans | -58.4 | 151.4 | 172.6 | -21.8 | 31.3 | 0 | 0 | 0 | 112.5 | E31 Y242 H318 I319 K320 | E31-P316 WeakPolarHBondContact OE2-CG 3.47Å; Y242-P316 HydrophobicContact CE2-CG 4.07Å; P316-H318 VanDerWaalsContact C-N 3.31Å; P316-H318 WeakPolarHBondContact CB-CE1 3.34Å; P316-H318 PolarHBondContact O-N 3.25Å; P316-I319 HydrophobicContact CB-CG1 4.47Å; P316-I319 HydrophobicContact CG-CG1 4.43Å; P316-I319 PolarHBondContact O-N 3.1Å; P316-I319 VanDerWaalsContact O-N 3.13Å; P316-K320 WeakPolarHBondContact O-CG 3.33Å; P316-K320 PolarHBondContact O-N 3.22Å | ||
| 317 | T | 85.9 | Confident | 73.5 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 73% | 0.73 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.6 | -39.5 | -176.7 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | K320 K321 | T317-K320 PolarHBondContact O-N 2.98Å; T317-K321 PolarHBondContact O-N 3.39Å |
| 318 | H | 87.3 | Confident | 74.6 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 178.4 | 57.5 | -90.3 | 0 | 0 | 0 | 112.2 | P316 K321 V322 | P316-H318 VanDerWaalsContact C-N 3.31Å; P316-H318 WeakPolarHBondContact CB-CE1 3.34Å; P316-H318 PolarHBondContact O-N 3.25Å; H318-K321 PolarHBondContact O-N 3.23Å; H318-V322 WeakPolarHBondContact O-CG2 3.26Å; H318-V322 PolarHBondContact O-N 3.37Å |
| 319 | I | 91 | Very high | 75.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 174.5 | -60.2 | -57.4 | 0 | 0 | 0 | 111.2 | I23 I62 A63 C66 L315 P316 K321 V322 F323 | I23-I319 HydrophobicContact CG2-CD1 4.35Å; I62-I319 HydrophobicContact CG2-CD1 4.34Å; A63-I319 HydrophobicContact CB-CD1 4.31Å; C66-I319 HydrophobicContact CB-CD1 4.21Å; L315-I319 HydrophobicContact CD1-CG2 4.28Å; L315-I319 HydrophobicContact CD2-CG2 4.3Å; P316-I319 HydrophobicContact CB-CG1 4.47Å; P316-I319 HydrophobicContact CG-CG1 4.43Å; P316-I319 PolarHBondContact O-N 3.1Å; P316-I319 VanDerWaalsContact O-N 3.13Å; I319-K321 VanDerWaalsContact C-N 3.28Å; I319-K321 PolarHBondContact O-N 3.27Å; I319-V322 WeakPolarHBondContact O-CB 3.45Å; I319-V322 PolarHBondContact O-N 3.09Å; I319-F323 HydrophobicContact CG2-CD2 3.87Å; I319-F323 HydrophobicContact CG2-CE2 3.55Å; I319-F323 VanDerWaalsContact O-CD2 3.3Å; I319-F323 WeakPolarHBondContact O-CD2 2.82Å; I319-F323 PolarHBondContact O-N 2.87Å |
| 320 | K | 87.3 | Confident | 75.5 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 27% | 0.265 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.7 | -45.5 | 174.3 | -76 | 174.6 | 169.8 | 168.4 | 0 | 111.2 | I313 L315 P316 T317 V322 F323 C324 | I313-K320 HydrophobicContact CG2-CD 4.38Å; I313-K320 HydrophobicContact CG2-CG 4.17Å; I313-K320 WeakPolarHBondContact O-CE 3.19Å; I313-K320 PolarHBondContact O-NZ 2.92Å; L315-K320 HydrophobicContact CB-CG 3.98Å; L315-K320 WeakPolarHBondContact O-CD 2.9Å; L315-K320 WeakPolarHBondContact O-CE 3.41Å; L315-K320 PolarHBondContact O-NZ 3.34Å; P316-K320 WeakPolarHBondContact O-CG 3.33Å; P316-K320 PolarHBondContact O-N 3.22Å; T317-K320 PolarHBondContact O-N 2.98Å; K320-V322 VanDerWaalsContact C-N 3.32Å; K320-V322 PolarHBondContact O-N 3.14Å; K320-F323 PolarHBondContact O-N 2.88Å; K320-C324 PolarHBondContact O-N 3.39Å; K320-C324 PolarHBondContact O-SG 3.17Å |
| 321 | K | 88.3 | Confident | 75.4 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.7 | -46.1 | 178.5 | -176.6 | -179.4 | 170.1 | -175.1 | 0 | 111.9 | T317 H318 I319 F323 C324 E325 | T317-K321 PolarHBondContact O-N 3.39Å; H318-K321 PolarHBondContact O-N 3.23Å; I319-K321 VanDerWaalsContact C-N 3.28Å; I319-K321 PolarHBondContact O-N 3.27Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 2.97Å; K321-C324 WeakPolarHBondContact O-CB 3.47Å; K321-C324 PolarHBondContact O-N 3.17Å; K321-C324 VanDerWaalsContact O-N 3.17Å; K321-E325 WeakPolarHBondContact CE-OE1 3.01Å; K321-E325 IonicContact NZ-OE1 2.62Å; K321-E325 WeakPolarHBondContact O-CG 3.09Å; K321-E325 PolarHBondContact O-N 2.97Å |
| 322 | V | 89.2 | Confident | 75.7 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.6 | -47 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | A63 C66 E67 I70 H318 I319 K320 A326 | A63-V322 HydrophobicContact CB-CG2 4.24Å; C66-V322 HydrophobicContact CB-CG1 4.13Å; E67-V322 HydrophobicContact CB-CG1 4.37Å; E67-V322 HydrophobicContact CG-CB 4.19Å; E67-V322 HydrophobicContact CG-CG1 3.55Å; E67-V322 HydrophobicContact CG-CG2 3.64Å; E67-V322 WeakPolarHBondContact OE1-CG2 3.22Å; I70-V322 HydrophobicContact CD1-CG1 3.58Å; H318-V322 WeakPolarHBondContact O-CG2 3.26Å; H318-V322 PolarHBondContact O-N 3.37Å; I319-V322 WeakPolarHBondContact O-CB 3.45Å; I319-V322 PolarHBondContact O-N 3.09Å; K320-V322 VanDerWaalsContact C-N 3.32Å; K320-V322 PolarHBondContact O-N 3.14Å; V322-A326 VanDerWaalsContact O-CB 3.26Å; V322-A326 WeakPolarHBondContact O-CB 3.47Å; V322-A326 PolarHBondContact O-N 3.47Å |
| 323 | F | 86.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 177.7 | -71.8 | -67.1 | 0 | 0 | 0 | 113.4 | I20 I70 L234 A235 C238 W307 L315 I319 K320 K321 C327 | I20-F323 HydrophobicContact CD1-CE1 4.24Å; I20-F323 HydrophobicContact CD1-CZ 3.76Å; I20-F323 HydrophobicContact CG1-CE1 4.27Å; I20-F323 HydrophobicContact CG1-CZ 3.78Å; I70-F323 HydrophobicContact CD1-CD1 3.65Å; I70-F323 HydrophobicContact CD1-CE1 3.58Å; I70-F323 HydrophobicContact CD1-CG 4.47Å; I70-F323 HydrophobicContact CD1-CZ 4.33Å; I70-F323 HydrophobicContact CG1-CE1 4.18Å; L234-F323 HydrophobicContact CB-CE1 4.2Å; A235-F323 HydrophobicContact CB-CB 4.2Å; A235-F323 HydrophobicContact CB-CD1 3.51Å; A235-F323 HydrophobicContact CB-CD2 4.08Å; A235-F323 HydrophobicContact CB-CE1 3.79Å; A235-F323 HydrophobicContact CB-CE2 4.32Å; A235-F323 HydrophobicContact CB-CG 3.67Å; A235-F323 HydrophobicContact CB-CZ 4.19Å; C238-F323 HydrophobicContact CB-CE2 3.77Å; C238-F323 HydrophobicContact CB-CZ 3.62Å; W307-F323 HydrophobicContact CH2-CB 4.14Å; W307-F323 HydrophobicContact CZ2-CB 4.23Å; L315-F323 HydrophobicContact CD1-CD2 4.42Å; L315-F323 HydrophobicContact CD1-CE2 4.31Å; I319-F323 HydrophobicContact CG2-CD2 3.87Å; I319-F323 HydrophobicContact CG2-CE2 3.55Å; I319-F323 VanDerWaalsContact O-CD2 3.3Å; I319-F323 WeakPolarHBondContact O-CD2 2.82Å; I319-F323 PolarHBondContact O-N 2.87Å; K320-F323 PolarHBondContact O-N 2.88Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 2.97Å; F323-C327 VanDerWaalsContact O-CB 3.26Å; F323-C327 WeakPolarHBondContact O-CB 3.43Å; F323-C327 PolarHBondContact O-N 3.15Å; F323-C327 PolarHBondContact O-SG 3.4Å |
| 324 | C | 82.4 | Confident | 75.8 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -54.4 | 172.9 | -68.1 | 0 | 0 | 0 | 0 | 110.5 | W308 K320 K321 A326 C327 Q328 | W308-C324 WeakPolarHBondContact CB-SG 3.48Å; W308-C324 HydrophobicContact CG-CB 4.42Å; K320-C324 PolarHBondContact O-N 3.39Å; K320-C324 PolarHBondContact O-SG 3.17Å; K321-C324 WeakPolarHBondContact O-CB 3.47Å; K321-C324 PolarHBondContact O-N 3.17Å; K321-C324 VanDerWaalsContact O-N 3.17Å; C324-A326 PolarHBondContact O-N 2.83Å; C324-C327 PolarHBondContact O-N 3.21Å; C324-Q328 VanDerWaalsContact O-CG 3.25Å; C324-Q328 WeakPolarHBondContact O-CG 3.21Å; C324-Q328 PolarHBondContact O-N 3.1Å |
| 325 | E | 85.3 | Confident | 75.1 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | -179.4 | -70 | 175 | 178.1 | 0 | 0 | 110.8 | K321 C327 Q328 D329 | K321-E325 WeakPolarHBondContact CE-OE1 3.01Å; K321-E325 IonicContact NZ-OE1 2.62Å; K321-E325 WeakPolarHBondContact O-CG 3.09Å; K321-E325 PolarHBondContact O-N 2.97Å; E325-C327 PolarHBondContact O-N 3.15Å; E325-Q328 PolarHBondContact O-N 2.7Å; E325-D329 PolarHBondContact O-N 2.92Å |
| 326 | A | 83.3 | Confident | 73.9 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -32.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | I70 P231 V322 C324 | I70-A326 HydrophobicContact CD1-CB 4.1Å; I70-A326 HydrophobicContact CG2-CB 3.63Å; P231-A326 HydrophobicContact CB-CB 4.28Å; V322-A326 VanDerWaalsContact O-CB 3.26Å; V322-A326 WeakPolarHBondContact O-CB 3.47Å; V322-A326 PolarHBondContact O-N 3.47Å; C324-A326 PolarHBondContact O-N 2.83Å |
| 327 | C | 74.3 | Confident | 72.7 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -85.7 | -27.8 | 179.1 | -73.9 | 0 | 0 | 0 | 0 | 113.2 | W307 W308 F323 C324 E325 D329 | W307-C327 VanDerWaalsContact CZ2-SG 3.59Å; W307-C327 PolarHBondContact NE1-SG 2.89Å; W308-C327 HydrophobicContact CZ3-CB 4.44Å; F323-C327 VanDerWaalsContact O-CB 3.26Å; F323-C327 WeakPolarHBondContact O-CB 3.43Å; F323-C327 PolarHBondContact O-N 3.15Å; F323-C327 PolarHBondContact O-SG 3.4Å; C324-C327 PolarHBondContact O-N 3.21Å; E325-C327 PolarHBondContact O-N 3.15Å; C327-D329 VanDerWaalsContact C-N 3.28Å |
| 328 | Q | 69.4 | Low | 71.6 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.7 | -25.7 | 175.3 | -75.6 | 172.9 | 17.6 | 0 | 0 | 112.6 | W308 C324 E325 K330 | W308-Q328 HydrophobicContact CH2-CG 3.95Å; W308-Q328 HydrophobicContact CZ2-CG 4.12Å; C324-Q328 VanDerWaalsContact O-CG 3.25Å; C324-Q328 WeakPolarHBondContact O-CG 3.21Å; C324-Q328 PolarHBondContact O-N 3.1Å; E325-Q328 PolarHBondContact O-N 2.7Å; Q328-K330 PolarHBondContact O-N 2.84Å |
| 329 | D | 63.7 | Low | 70.3 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 8.7 | 179.8 | -140.1 | 10 | 0 | 0 | 0 | 115.1 | K74 E325 C327 | K74-D329 IonicContact NZ-OD2 3.66Å; K74-D329 PolarHBondContact NZ-OD2 3.22Å; E325-D329 PolarHBondContact O-N 2.92Å; C327-D329 VanDerWaalsContact C-N 3.28Å |
| 330 | K | 54.2 | Low | 69.5 | Low | 120 Ų | 120 | 80.7 Ų | 80.7 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | trans | -97.7 | 26.7 | -177.2 | -79.2 | -163.7 | 178.7 | -173.3 | 0 | 115.3 | E230 Q328 | E230-K330 VanDerWaalsContact CD-NZ 3.31Å; E230-K330 IonicContact OE1-NZ 3.8Å; E230-K330 PolarHBondContact OE1-NZ 2.97Å; E230-K330 IonicContact OE2-NZ 3.58Å; E230-K330 PolarHBondContact OE2-NZ 3.11Å; Q328-K330 PolarHBondContact O-N 2.84Å | ||
| 331 | S | 48.2 | Very low | 68.6 | Low | 113 Ų | 113 | 84.2 Ų | 84.2 | 79% | 0.79 | 44% | 0.443 | S | S | * | . | trans | -118.6 | 33.6 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 332 | G | 56.6 | Low | 67.9 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | trans | -80.2 | 128.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y334 A335 R336 | G332-Y334 PolarHBondContact O-N 3.15Å; G332-Y334 VanDerWaalsContact O-N 3.12Å; G332-A335 PolarHBondContact O-N 2.84Å; G332-R336 PolarHBondContact O-N 2.82Å | ||
| 333 | L | 56.6 | Low | 67.1 | Low | 145 Ų | 145 | 86 Ų | 86 | 76% | 0.759 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -47.3 | -39.8 | 171.4 | -93.3 | 156 | 0 | 0 | 0 | 111.8 | A335 R336 V337 | L333-A335 PolarHBondContact O-N 2.75Å; L333-R336 PolarHBondContact O-N 2.98Å; L333-V337 WeakPolarHBondContact O-CB 3.39Å; L333-V337 VanDerWaalsContact O-CG2 3.23Å; L333-V337 WeakPolarHBondContact O-CG2 3.28Å; L333-V337 PolarHBondContact O-N 3.04Å |
| 334 | Y | 56.6 | Low | 66.4 | Low | 194 Ų | 194 | 92 Ų | 92 | 76% | 0.761 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 178.9 | -173.1 | -96.1 | 0 | 0 | 0 | 113.6 | G332 R336 V337 S338 | G332-Y334 PolarHBondContact O-N 3.15Å; G332-Y334 VanDerWaalsContact O-N 3.12Å; Y334-R336 VanDerWaalsContact C-N 3.31Å; Y334-R336 PolarHBondContact O-N 2.84Å; Y334-V337 PolarHBondContact O-N 2.73Å; Y334-S338 VanDerWaalsContact O-CB 3.25Å; Y334-S338 WeakPolarHBondContact O-CB 3.37Å; Y334-S338 PolarHBondContact O-N 3.29Å; Y334-S338 PolarHBondContact O-OG 2.74Å |
| 335 | A | 59.7 | Low | 66.1 | Low | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -31.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G332 L333 S338 G339 | G332-A335 PolarHBondContact O-N 2.84Å; L333-A335 PolarHBondContact O-N 2.75Å; A335-S338 WeakPolarHBondContact CA-OG 3.28Å; A335-S338 PolarHBondContact O-OG 3.36Å; A335-G339 PolarHBondContact O-N 3.12Å; A335-G339 VanDerWaalsContact O-N 3.17Å |
| 336 | R | 60 | Low | 65.7 | Low | 213 Ų | 213 | 92.2 Ų | 92.2 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.6 | -39.1 | 176.5 | -163.7 | 173.3 | -174.7 | 171.8 | 0.6 | 111.7 | G332 L333 Y334 | G332-R336 PolarHBondContact O-N 2.82Å; L333-R336 PolarHBondContact O-N 2.98Å; Y334-R336 VanDerWaalsContact C-N 3.31Å; Y334-R336 PolarHBondContact O-N 2.84Å |
| 337 | V | 61.4 | Low | 65.1 | Low | 65 Ų | 65 | 94.2 Ų | 94.2 | 39% | 0.394 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.5 | -48.8 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L333 Y334 G339 M340 L343 | L333-V337 WeakPolarHBondContact O-CB 3.39Å; L333-V337 VanDerWaalsContact O-CG2 3.23Å; L333-V337 WeakPolarHBondContact O-CG2 3.28Å; L333-V337 PolarHBondContact O-N 3.04Å; Y334-V337 PolarHBondContact O-N 2.73Å; V337-G339 PolarHBondContact O-N 2.9Å; V337-M340 WeakPolarHBondContact O-CB 3.45Å; V337-M340 WeakPolarHBondContact O-CG 3.32Å; V337-M340 PolarHBondContact O-N 2.89Å; V337-L343 HydrophobicContact CB-CD1 4.45Å; V337-L343 HydrophobicContact CG1-CD1 3.35Å; V337-L343 WeakPolarHBondContact O-CD1 3.36Å |
| 338 | S | 61.3 | Low | 65.3 | Low | 50 Ų | 50 | 99.3 Ų | 99.3 | 35% | 0.35 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -26.4 | 177 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | Y334 A335 M340 | Y334-S338 VanDerWaalsContact O-CB 3.25Å; Y334-S338 WeakPolarHBondContact O-CB 3.37Å; Y334-S338 PolarHBondContact O-N 3.29Å; Y334-S338 PolarHBondContact O-OG 2.74Å; A335-S338 WeakPolarHBondContact CA-OG 3.28Å; A335-S338 PolarHBondContact O-OG 3.36Å; S338-M340 VanDerWaalsContact C-N 3.28Å; S338-M340 PolarHBondContact O-N 3.45Å |
| 339 | G | 61.3 | Low | 65.7 | Low | 26 Ų | 26 | 100.6 Ų | 100.6 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A335 V337 R344 | A335-G339 PolarHBondContact O-N 3.12Å; A335-G339 VanDerWaalsContact O-N 3.17Å; V337-G339 PolarHBondContact O-N 2.9Å; G339-R344 PolarHBondContact O-NE 2.91Å; G339-R344 PolarHBondContact O-NH2 2.74Å |
| 340 | M | 73.9 | Confident | 66.4 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 51% | 0.507 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -70 | 141.5 | -179.2 | -62.9 | 178.7 | 65.8 | 0 | 0 | 111.6 | V337 S338 P342 L343 R344 | V337-M340 WeakPolarHBondContact O-CB 3.45Å; V337-M340 WeakPolarHBondContact O-CG 3.32Å; V337-M340 PolarHBondContact O-N 2.89Å; S338-M340 VanDerWaalsContact C-N 3.28Å; S338-M340 PolarHBondContact O-N 3.45Å; M340-P342 VanDerWaalsContact C-CD 3.5Å; M340-L343 PolarHBondContact O-N 3.49Å; M340-L343 VanDerWaalsContact O-N 3.12Å; M340-R344 PolarHBondContact O-N 2.86Å |
| 341 | L | 67.4 | Low | 67.5 | Low | 135 Ų | 135 | 95.9 Ų | 95.9 | 71% | 0.707 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -50.9 | -45.5 | -179.4 | -83.3 | 164.4 | 0 | 0 | 0 | 113.7 | L343 R344 V345 | L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 2.73Å; L341-R344 PolarHBondContact O-N 3.07Å; L341-V345 WeakPolarHBondContact O-CB 3.39Å; L341-V345 VanDerWaalsContact O-CG2 3.27Å; L341-V345 WeakPolarHBondContact O-CG2 3.47Å; L341-V345 PolarHBondContact O-N 3.38Å |
| 342 | P | 74.1 | Confident | 69.1 | Low | 92 Ų | 92 | 94.7 Ų | 94.7 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -39.5 | 179.2 | -24.1 | 35 | 0 | 0 | 0 | 113.4 | M340 V345 A346 | M340-P342 VanDerWaalsContact C-CD 3.5Å; P342-V345 PolarHBondContact O-N 3.47Å; P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.45Å |
| 343 | L | 72.4 | Confident | 70.1 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 42% | 0.419 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.2 | -35.2 | 179 | -86.9 | 147.8 | 0 | 0 | 0 | 112.3 | V337 M340 L341 S347 | V337-L343 HydrophobicContact CB-CD1 4.45Å; V337-L343 HydrophobicContact CG1-CD1 3.35Å; V337-L343 WeakPolarHBondContact O-CD1 3.36Å; M340-L343 PolarHBondContact O-N 3.49Å; M340-L343 VanDerWaalsContact O-N 3.12Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 2.73Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 2.71Å |
| 344 | R | 72.5 | Confident | 71.2 | Confident | 127 Ų | 127 | 97 Ų | 97 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 170.2 | -70.5 | -167.9 | -145 | -178.9 | 5.1 | 111.4 | G339 M340 L341 A346 S347 Y348 | G339-R344 PolarHBondContact O-NE 2.91Å; G339-R344 PolarHBondContact O-NH2 2.74Å; M340-R344 PolarHBondContact O-N 2.86Å; L341-R344 PolarHBondContact O-N 3.07Å; R344-A346 PolarHBondContact O-N 3.27Å; R344-S347 WeakPolarHBondContact O-CB 3.09Å; R344-S347 PolarHBondContact O-N 2.94Å; R344-S347 VanDerWaalsContact O-N 3.17Å; R344-Y348 HydrophobicContact CB-CD2 4.43Å; R344-Y348 HydrophobicContact CB-CE2 4.29Å; R344-Y348 WeakPolarHBondContact O-CD2 3.26Å; R344-Y348 PolarHBondContact O-N 2.97Å |
| 345 | V | 75.9 | Confident | 72.2 | Confident | 76 Ų | 76 | 90.1 Ų | 90.1 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L341 P342 S347 Y348 M349 | L341-V345 WeakPolarHBondContact O-CB 3.39Å; L341-V345 VanDerWaalsContact O-CG2 3.27Å; L341-V345 WeakPolarHBondContact O-CG2 3.47Å; L341-V345 PolarHBondContact O-N 3.38Å; P342-V345 PolarHBondContact O-N 3.47Å; V345-S347 VanDerWaalsContact C-N 3.33Å; V345-S347 PolarHBondContact O-N 2.63Å; V345-Y348 PolarHBondContact O-N 3.25Å; V345-M349 HydrophobicContact CG1-CG 4.36Å; V345-M349 VanDerWaalsContact O-CG 3.25Å; V345-M349 WeakPolarHBondContact O-CG 3.42Å; V345-M349 PolarHBondContact O-N 3.49Å |
| 346 | A | 76.8 | Confident | 73.2 | Confident | 43 Ų | 43 | 91 Ų | 91 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P342 R344 Y348 M349 L350 | P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.39Å; P342-A346 PolarHBondContact O-N 3.45Å; R344-A346 PolarHBondContact O-N 3.27Å; A346-Y348 VanDerWaalsContact C-N 3.34Å; A346-Y348 PolarHBondContact O-N 3.09Å; A346-M349 PolarHBondContact O-N 3.4Å; A346-M349 VanDerWaalsContact O-N 3.16Å; A346-L350 WeakPolarHBondContact O-CB 3.48Å; A346-L350 WeakPolarHBondContact O-CD1 3.32Å; A346-L350 PolarHBondContact O-N 3.22Å |
| 347 | S | 72 | Confident | 74.1 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.3 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | N80 L343 R344 V345 M351 | N80-S347 PolarHBondContact ND2-OG 3.4Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 2.71Å; R344-S347 WeakPolarHBondContact O-CB 3.09Å; R344-S347 PolarHBondContact O-N 2.94Å; R344-S347 VanDerWaalsContact O-N 3.17Å; V345-S347 VanDerWaalsContact C-N 3.33Å; V345-S347 PolarHBondContact O-N 2.63Å; S347-M351 WeakPolarHBondContact O-CB 3.38Å; S347-M351 PolarHBondContact O-N 2.95Å; S347-M351 VanDerWaalsContact O-N 3.13Å |
| 348 | Y | 76.6 | Confident | 74.9 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 51% | 0.51 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 172.6 | -75 | -63.8 | 0 | 0 | 0 | 112.4 | N80 R344 V345 A346 M351 | N80-Y348 HydrophobicContact CB-CE1 4.12Å; R344-Y348 HydrophobicContact CB-CD2 4.43Å; R344-Y348 HydrophobicContact CB-CE2 4.29Å; R344-Y348 WeakPolarHBondContact O-CD2 3.26Å; R344-Y348 PolarHBondContact O-N 2.97Å; V345-Y348 PolarHBondContact O-N 3.25Å; A346-Y348 VanDerWaalsContact C-N 3.34Å; A346-Y348 PolarHBondContact O-N 3.09Å; Y348-M351 HydrophobicContact CD1-SD 4.15Å; Y348-M351 WeakPolarHBondContact O-CB 3.34Å; Y348-M351 PolarHBondContact O-N 2.96Å |
| 349 | M | 78.6 | Confident | 75.7 | Confident | 135 Ų | 135 | 85.9 Ų | 85.9 | 67% | 0.665 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | 177.7 | -69.3 | -67.4 | 172.5 | 0 | 0 | 112.8 | V345 A346 M351 P352 | V345-M349 HydrophobicContact CG1-CG 4.36Å; V345-M349 VanDerWaalsContact O-CG 3.25Å; V345-M349 WeakPolarHBondContact O-CG 3.42Å; V345-M349 PolarHBondContact O-N 3.49Å; A346-M349 PolarHBondContact O-N 3.4Å; A346-M349 VanDerWaalsContact O-N 3.16Å; M349-M351 VanDerWaalsContact C-N 3.32Å; M349-P352 WeakPolarHBondContact O-CD 3.2Å |
| 350 | L | 78.6 | Confident | 76.5 | Confident | 97 Ų | 97 | 87.5 Ų | 87.5 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -81.6 | -10.6 | 174.8 | -82.4 | 144.2 | 0 | 0 | 0 | 112.9 | A346 Y353 T354 | A346-L350 WeakPolarHBondContact O-CB 3.48Å; A346-L350 WeakPolarHBondContact O-CD1 3.32Å; A346-L350 PolarHBondContact O-N 3.22Å; L350-Y353 PolarHBondContact O-N 2.9Å; L350-T354 HydrophobicContact CB-CG2 4.46Å; L350-T354 WeakPolarHBondContact O-CG2 3.25Å; L350-T354 PolarHBondContact O-N 3.02Å; L350-T354 PolarHBondContact O-OG1 3.35Å |
| 351 | M | 77.9 | Confident | 76.9 | Confident | 40 Ų | 40 | 90 Ų | 90 | 20% | 0.197 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | -176.8 | -168.3 | 173.1 | 165.2 | 0 | 0 | 113.3 | L81 S347 Y348 M349 Y353 T354 L355 | L81-M351 HydrophobicContact CD1-CE 3.8Å; L81-M351 HydrophobicContact CD2-CE 3.36Å; L81-M351 HydrophobicContact CG-CE 3.39Å; S347-M351 WeakPolarHBondContact O-CB 3.38Å; S347-M351 PolarHBondContact O-N 2.95Å; S347-M351 VanDerWaalsContact O-N 3.13Å; Y348-M351 HydrophobicContact CD1-SD 4.15Å; Y348-M351 WeakPolarHBondContact O-CB 3.34Å; Y348-M351 PolarHBondContact O-N 2.96Å; M349-M351 VanDerWaalsContact C-N 3.32Å; M351-Y353 PolarHBondContact O-N 3.04Å; M351-Y353 VanDerWaalsContact O-N 3.1Å; M351-T354 PolarHBondContact O-N 3.38Å; M351-L355 HydrophobicContact CE-CD1 3.86Å; M351-L355 HydrophobicContact CG-CB 4.34Å; M351-L355 HydrophobicContact CG-CD1 4.22Å; M351-L355 WeakPolarHBondContact O-CB 3.4Å; M351-L355 PolarHBondContact O-N 3.22Å |
| 352 | P | 80.3 | Confident | 77.3 | Confident | 87 Ų | 87 | 83.9 Ų | 83.9 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -25.4 | 177.1 | -24.4 | 35.7 | 0 | 0 | 0 | 114 | M349 P356 | M349-P352 WeakPolarHBondContact O-CD 3.2Å; P352-P356 WeakPolarHBondContact O-CD 3.36Å; P352-P356 VanDerWaalsContact O-CG 3.22Å; P352-P356 WeakPolarHBondContact O-CG 3.33Å |
| 353 | Y | 77.8 | Confident | 77.4 | Confident | 179 Ų | 179 | 83.6 Ų | 83.6 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -94.4 | -39.4 | -179.2 | -58.2 | -77.7 | 0 | 0 | 0 | 113 | L350 M351 | L350-Y353 PolarHBondContact O-N 2.9Å; M351-Y353 PolarHBondContact O-N 3.04Å; M351-Y353 VanDerWaalsContact O-N 3.1Å |
| 354 | T | 80.8 | Confident | 77.6 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 34% | 0.337 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -82 | -32.4 | -178 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | L350 M351 V357 Q358 | L350-T354 HydrophobicContact CB-CG2 4.46Å; L350-T354 WeakPolarHBondContact O-CG2 3.25Å; L350-T354 PolarHBondContact O-N 3.02Å; L350-T354 PolarHBondContact O-OG1 3.35Å; M351-T354 PolarHBondContact O-N 3.38Å; T354-V357 PolarHBondContact O-N 3.22Å; T354-Q358 WeakPolarHBondContact O-CB 3.5Å; T354-Q358 WeakPolarHBondContact O-CG 3.39Å; T354-Q358 PolarHBondContact O-N 3.19Å |
| 355 | L | 77.6 | Confident | 77.8 | Confident | 51 Ų | 51 | 80 Ų | 80 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | -177.4 | -165.7 | 104.5 | 0 | 0 | 0 | 113.1 | L81 M351 V357 Q358 S359 | L81-L355 HydrophobicContact CD1-CD1 3.46Å; L81-L355 VanDerWaalsContact CD1-CD1 3.46Å; L81-L355 HydrophobicContact CG-CD1 4.32Å; M351-L355 HydrophobicContact CE-CD1 3.86Å; M351-L355 HydrophobicContact CG-CB 4.34Å; M351-L355 HydrophobicContact CG-CD1 4.22Å; M351-L355 WeakPolarHBondContact O-CB 3.4Å; M351-L355 PolarHBondContact O-N 3.22Å; L355-V357 VanDerWaalsContact C-N 3.31Å; L355-V357 PolarHBondContact O-N 3.47Å; L355-Q358 PolarHBondContact O-N 3Å; L355-S359 WeakPolarHBondContact O-CB 3.33Å; L355-S359 PolarHBondContact O-N 2.78Å |
| 356 | P | 79.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 49% | 0.494 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.1 | -24.9 | 35.5 | 0 | 0 | 0 | 112.6 | P352 S359 A360 | P352-P356 WeakPolarHBondContact O-CD 3.36Å; P352-P356 VanDerWaalsContact O-CG 3.22Å; P352-P356 WeakPolarHBondContact O-CG 3.33Å; P356-S359 PolarHBondContact O-N 3.13Å; P356-A360 VanDerWaalsContact O-CB 3.28Å; P356-A360 WeakPolarHBondContact O-CB 3.5Å; P356-A360 PolarHBondContact O-N 3.24Å |
| 357 | V | 79.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 62% | 0.624 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.7 | -47.5 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | T354 L355 S359 A360 Y361 | T354-V357 PolarHBondContact O-N 3.22Å; L355-V357 VanDerWaalsContact C-N 3.31Å; L355-V357 PolarHBondContact O-N 3.47Å; V357-S359 VanDerWaalsContact C-N 3.31Å; V357-S359 PolarHBondContact O-N 3.31Å; V357-A360 PolarHBondContact O-N 2.78Å; V357-Y361 WeakPolarHBondContact O-CB 3.02Å; V357-Y361 PolarHBondContact O-N 3.21Å |
| 358 | Q | 78.5 | Confident | 77.9 | Confident | 77 Ų | 77 | 85.9 Ų | 85.9 | 36% | 0.36 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 177.3 | -71.3 | -179.1 | 9.8 | 0 | 0 | 112.2 | H85 T354 L355 S362 | H85-Q358 PolarHBondContact CE1-OE1 2.82Å; H85-Q358 PolarHBondContact NE2-OE1 2.7Å; H85-Q358 VanDerWaalsContact NE2-OE1 3.15Å; T354-Q358 WeakPolarHBondContact O-CB 3.5Å; T354-Q358 WeakPolarHBondContact O-CG 3.39Å; T354-Q358 PolarHBondContact O-N 3.19Å; L355-Q358 PolarHBondContact O-N 3Å; Q358-S362 VanDerWaalsContact O-CB 3.23Å; Q358-S362 WeakPolarHBondContact O-CB 3.25Å; Q358-S362 PolarHBondContact O-N 2.92Å |
| 359 | S | 76.7 | Confident | 77.9 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 29% | 0.287 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 173.9 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | L355 P356 V357 Y361 S362 V363 | L355-S359 WeakPolarHBondContact O-CB 3.33Å; L355-S359 PolarHBondContact O-N 2.78Å; P356-S359 PolarHBondContact O-N 3.13Å; V357-S359 VanDerWaalsContact C-N 3.31Å; V357-S359 PolarHBondContact O-N 3.31Å; S359-Y361 PolarHBondContact O-N 3.21Å; S359-S362 PolarHBondContact O-N 2.89Å; S359-S362 VanDerWaalsContact O-N 3.17Å; S359-V363 WeakPolarHBondContact O-CB 3.31Å; S359-V363 VanDerWaalsContact O-CG2 3.24Å; S359-V363 WeakPolarHBondContact O-CG2 2.85Å; S359-V363 PolarHBondContact O-N 3.06Å |
| 360 | A | 78.6 | Confident | 77.5 | Confident | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P356 V357 V363 A364 | P356-A360 VanDerWaalsContact O-CB 3.28Å; P356-A360 WeakPolarHBondContact O-CB 3.5Å; P356-A360 PolarHBondContact O-N 3.24Å; V357-A360 PolarHBondContact O-N 2.78Å; A360-V363 PolarHBondContact O-N 3.2Å; A360-A364 WeakPolarHBondContact O-CB 3.44Å; A360-A364 PolarHBondContact O-N 3.28Å |
| 361 | Y | 82.5 | Confident | 77.4 | Confident | 156 Ų | 156 | 79.9 Ų | 79.9 | 61% | 0.612 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.8 | -45.8 | 174.7 | 178.2 | -96.9 | 0 | 0 | 0 | 111.9 | V357 S359 V363 A364 Q365 | V357-Y361 WeakPolarHBondContact O-CB 3.02Å; V357-Y361 PolarHBondContact O-N 3.21Å; S359-Y361 PolarHBondContact O-N 3.21Å; Y361-V363 PolarHBondContact O-N 3.03Å; Y361-A364 PolarHBondContact O-N 3.49Å; Y361-Q365 PolarHBondContact O-N 2.72Å |
| 362 | S | 76.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 82.7 Ų | 82.7 | 4% | 0.035 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.7 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | P86 T87 Q358 S359 Q365 R366 | P86-S362 PolarHBondContact O-OG 3.21Å; T87-S362 VanDerWaalsContact CA-OG 3.3Å; T87-S362 WeakPolarHBondContact CA-OG 3.47Å; T87-S362 PolarHBondContact N-OG 3.43Å; Q358-S362 VanDerWaalsContact O-CB 3.23Å; Q358-S362 WeakPolarHBondContact O-CB 3.25Å; Q358-S362 PolarHBondContact O-N 2.92Å; S359-S362 PolarHBondContact O-N 2.89Å; S359-S362 VanDerWaalsContact O-N 3.17Å; S362-Q365 PolarHBondContact O-N 2.94Å; S362-R366 WeakPolarHBondContact O-CB 3.35Å; S362-R366 VanDerWaalsContact O-CG 3.29Å; S362-R366 WeakPolarHBondContact O-CG 2.79Å; S362-R366 PolarHBondContact O-N 3.38Å |
| 363 | V | 75.9 | Confident | 77.2 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 109.4 | S359 A360 Y361 R366 F367 | S359-V363 WeakPolarHBondContact O-CB 3.31Å; S359-V363 VanDerWaalsContact O-CG2 3.24Å; S359-V363 WeakPolarHBondContact O-CG2 2.85Å; S359-V363 PolarHBondContact O-N 3.06Å; A360-V363 PolarHBondContact O-N 3.2Å; Y361-V363 PolarHBondContact O-N 3.03Å; V363-R366 PolarHBondContact O-N 2.93Å; V363-F367 VanDerWaalsContact O-CB 3.27Å; V363-F367 WeakPolarHBondContact O-CB 3.48Å; V363-F367 PolarHBondContact O-N 3.22Å |
| 364 | A | 77.3 | Confident | 77.3 | Confident | 52 Ų | 52 | 77 Ų | 77 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A360 Y361 F367 V368 | A360-A364 WeakPolarHBondContact O-CB 3.44Å; A360-A364 PolarHBondContact O-N 3.28Å; Y361-A364 PolarHBondContact O-N 3.49Å; A364-F367 WeakPolarHBondContact O-CB 3.25Å; A364-F367 PolarHBondContact O-N 2.85Å; A364-V368 WeakPolarHBondContact O-CG2 3.18Å; A364-V368 PolarHBondContact O-N 3.42Å |
| 365 | Q | 76.6 | Confident | 77.3 | Confident | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.6 | -171.8 | -175.4 | -23.5 | 0 | 0 | 111.8 | Y361 S362 F367 V368 E369 | Y361-Q365 PolarHBondContact O-N 2.72Å; S362-Q365 PolarHBondContact O-N 2.94Å; Q365-F367 VanDerWaalsContact C-N 3.27Å; Q365-F367 PolarHBondContact O-N 3.42Å; Q365-V368 PolarHBondContact O-N 2.89Å; Q365-E369 PolarHBondContact NE2-OE1 3.16Å; Q365-E369 WeakPolarHBondContact O-CG 3.41Å; Q365-E369 PolarHBondContact O-N 3.17Å |
| 366 | R | 76.1 | Confident | 77.4 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 174.8 | -75.7 | 179.2 | -178.7 | -162.9 | -2.7 | 111.4 | P86 F88 S362 V363 E369 W370 | P86-R366 VanDerWaalsContact O-CZ 3.24Å; P86-R366 PolarHBondContact O-NE 2.98Å; P86-R366 PolarHBondContact O-NH2 2.9Å; F88-R366 PolarHBondContact O-NH2 3.01Å; S362-R366 WeakPolarHBondContact O-CB 3.35Å; S362-R366 VanDerWaalsContact O-CG 3.29Å; S362-R366 WeakPolarHBondContact O-CG 2.79Å; S362-R366 PolarHBondContact O-N 3.38Å; V363-R366 PolarHBondContact O-N 2.93Å; R366-E369 PolarHBondContact O-N 3.49Å; R366-W370 WeakPolarHBondContact O-CB 3.41Å; R366-W370 PolarHBondContact O-N 3.33Å |
| 367 | F | 74.8 | Confident | 77.6 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.8 | -175.5 | -92.8 | 0 | 0 | 0 | 110.8 | V363 A364 Q365 E369 W370 I371 | V363-F367 VanDerWaalsContact O-CB 3.27Å; V363-F367 WeakPolarHBondContact O-CB 3.48Å; V363-F367 PolarHBondContact O-N 3.22Å; A364-F367 WeakPolarHBondContact O-CB 3.25Å; A364-F367 PolarHBondContact O-N 2.85Å; Q365-F367 VanDerWaalsContact C-N 3.27Å; Q365-F367 PolarHBondContact O-N 3.42Å; F367-E369 PolarHBondContact O-N 2.87Å; F367-W370 AromaticContact CD2-CE3 3.73Å; F367-W370 HydrophobicContact CD2-CE3 3.73Å; F367-W370 AromaticContact CD2-CZ3 3.96Å; F367-W370 HydrophobicContact CD2-CZ3 3.96Å; F367-W370 AromaticContact CE2-CE3 3.93Å; F367-W370 HydrophobicContact CE2-CE3 3.93Å; F367-W370 AromaticContact CE2-CZ3 3.78Å; F367-W370 HydrophobicContact CE2-CZ3 3.78Å; F367-W370 CarbonylContact O-C 3.57Å; F367-W370 WeakPolarHBondContact O-CA 3.28Å; F367-W370 WeakPolarHBondContact O-CB 3.23Å; F367-W370 PolarHBondContact O-N 3.46Å; F367-I371 HydrophobicContact CD1-CG1 4.45Å; F367-I371 HydrophobicContact CE1-CG1 4.32Å; F367-I371 WeakPolarHBondContact O-CG1 3.27Å; F367-I371 PolarHBondContact O-N 3.17Å |
| 368 | V | 75.6 | Confident | 77.8 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | A364 Q365 W370 I371 | A364-V368 WeakPolarHBondContact O-CG2 3.18Å; A364-V368 PolarHBondContact O-N 3.42Å; Q365-V368 PolarHBondContact O-N 2.89Å; V368-W370 PolarHBondContact O-N 3.28Å; V368-I371 PolarHBondContact O-N 3.2Å |
| 369 | E | 75.8 | Confident | 78 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -27 | 175.3 | -70.4 | 176.1 | -175.3 | 0 | 0 | 112.3 | K92 Q365 R366 F367 P372 | K92-E369 IonicContact NZ-OE1 2.74Å; K92-E369 PolarHBondContact NZ-OE1 3.41Å; K92-E369 IonicContact NZ-OE2 3.34Å; Q365-E369 PolarHBondContact NE2-OE1 3.16Å; Q365-E369 WeakPolarHBondContact O-CG 3.41Å; Q365-E369 PolarHBondContact O-N 3.17Å; R366-E369 PolarHBondContact O-N 3.49Å; F367-E369 PolarHBondContact O-N 2.87Å; E369-P372 WeakPolarHBondContact O-CD 3.49Å |
| 370 | W | 71.1 | Confident | 78.4 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -83.6 | -21.9 | -179.9 | 177.9 | 53 | 0 | 0 | 0 | 114 | I155 R366 F367 V368 P372 E373 V374 D377 | I155-W370 HydrophobicContact CD1-CD2 4.49Å; I155-W370 HydrophobicContact CD1-CH2 4.44Å; I155-W370 HydrophobicContact CD1-CZ2 3.67Å; R366-W370 WeakPolarHBondContact O-CB 3.41Å; R366-W370 PolarHBondContact O-N 3.33Å; F367-W370 AromaticContact CD2-CE3 3.73Å; F367-W370 HydrophobicContact CD2-CE3 3.73Å; F367-W370 AromaticContact CD2-CZ3 3.96Å; F367-W370 HydrophobicContact CD2-CZ3 3.96Å; F367-W370 AromaticContact CE2-CE3 3.93Å; F367-W370 HydrophobicContact CE2-CE3 3.93Å; F367-W370 AromaticContact CE2-CZ3 3.78Å; F367-W370 HydrophobicContact CE2-CZ3 3.78Å; F367-W370 CarbonylContact O-C 3.57Å; F367-W370 WeakPolarHBondContact O-CA 3.28Å; F367-W370 WeakPolarHBondContact O-CB 3.23Å; F367-W370 PolarHBondContact O-N 3.46Å; V368-W370 PolarHBondContact O-N 3.28Å; W370-P372 VanDerWaalsContact C-N 3.26Å; W370-P372 WeakPolarHBondContact O-CD 3.4Å; W370-E373 PolarHBondContact O-N 3.35Å; W370-V374 HydrophobicContact CD2-CG2 3.57Å; W370-V374 HydrophobicContact CE3-CG2 3.58Å; W370-V374 HydrophobicContact CG-CG2 4.2Å; W370-V374 HydrophobicContact CH2-CG1 4.35Å; W370-V374 HydrophobicContact CH2-CG2 3.95Å; W370-V374 HydrophobicContact CZ2-CB 4.38Å; W370-V374 HydrophobicContact CZ2-CG2 3.93Å; W370-V374 HydrophobicContact CZ3-CG2 3.78Å; W370-V374 WeakPolarHBondContact O-CG2 3.06Å; W370-V374 PolarHBondContact O-N 2.82Å; W370-D377 HydrophobicContact CZ2-CB 3.85Å; W370-D377 PolarHBondContact NE1-OD2 3.4Å |
| 371 | I | 75.4 | Confident | 78.7 | Confident | 93 Ų | 93 | 79.4 Ų | 79.4 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -42 | -45.8 | -178.4 | -72.2 | 170.5 | 0 | 0 | 0 | 113.6 | F367 V368 E373 V374 | F367-I371 HydrophobicContact CD1-CG1 4.45Å; F367-I371 HydrophobicContact CE1-CG1 4.32Å; F367-I371 WeakPolarHBondContact O-CG1 3.27Å; F367-I371 PolarHBondContact O-N 3.17Å; V368-I371 PolarHBondContact O-N 3.2Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3Å; I371-V374 PolarHBondContact O-N 3Å |
| 372 | P | 76.5 | Confident | 78.8 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -63 | -30.8 | -179.5 | -22.7 | 35.2 | 0 | 0 | 0 | 114.3 | E369 W370 | E369-P372 WeakPolarHBondContact O-CD 3.49Å; W370-P372 VanDerWaalsContact C-N 3.26Å; W370-P372 WeakPolarHBondContact O-CD 3.4Å |
| 373 | E | 77.5 | Confident | 79.1 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -93.7 | -12.3 | -175.6 | -61 | -63.4 | 154.3 | 0 | 0 | 113 | W370 I371 P375 A376 D377 | W370-E373 PolarHBondContact O-N 3.35Å; I371-E373 VanDerWaalsContact C-N 3.28Å; I371-E373 PolarHBondContact O-N 3Å; E373-P375 VanDerWaalsContact C-CD 3.44Å; E373-A376 PolarHBondContact O-N 2.86Å; E373-D377 PolarHBondContact O-N 3.48Å |
| 374 | V | 81.1 | Confident | 79.5 | Confident | 39 Ų | 39 | 79.5 Ų | 79.5 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -47.8 | -47.8 | -178.4 | 174 | 0 | 0 | 0 | 0 | 112.9 | W370 I371 A376 D377 V378 | W370-V374 HydrophobicContact CD2-CG2 3.57Å; W370-V374 HydrophobicContact CE3-CG2 3.58Å; W370-V374 HydrophobicContact CG-CG2 4.2Å; W370-V374 HydrophobicContact CH2-CG1 4.35Å; W370-V374 HydrophobicContact CH2-CG2 3.95Å; W370-V374 HydrophobicContact CZ2-CB 4.38Å; W370-V374 HydrophobicContact CZ2-CG2 3.93Å; W370-V374 HydrophobicContact CZ3-CG2 3.78Å; W370-V374 WeakPolarHBondContact O-CG2 3.06Å; W370-V374 PolarHBondContact O-N 2.82Å; I371-V374 PolarHBondContact O-N 3Å; V374-A376 VanDerWaalsContact C-N 3.29Å; V374-A376 PolarHBondContact O-N 2.86Å; V374-D377 PolarHBondContact O-N 3.12Å; V374-V378 HydrophobicContact CG1-CG2 3.76Å; V374-V378 WeakPolarHBondContact O-CB 3.41Å; V374-V378 VanDerWaalsContact O-CG2 3.24Å; V374-V378 WeakPolarHBondContact O-CG2 3.35Å; V374-V378 PolarHBondContact O-N 2.96Å |
| 375 | P | 79.3 | Confident | 79.8 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -32.5 | -177.4 | -21.9 | 34.5 | 0 | 0 | 0 | 113.4 | E373 R379 | E373-P375 VanDerWaalsContact C-CD 3.44Å; P375-R379 VanDerWaalsContact O-CG 3.29Å; P375-R379 WeakPolarHBondContact O-CG 3.28Å; P375-R379 PolarHBondContact O-N 3.42Å; P375-R379 PolarHBondContact O-NE 2.84Å |
| 376 | A | 80.3 | Confident | 80 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 31% | 0.306 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.7 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R163 E373 V374 W380 | R163-A376 PolarHBondContact NH2-O 3.06Å; E373-A376 PolarHBondContact O-N 2.86Å; V374-A376 VanDerWaalsContact C-N 3.29Å; V374-A376 PolarHBondContact O-N 2.86Å; A376-W380 PolarHBondContact O-N 2.98Å |
| 377 | D | 84.3 | Confident | 80.4 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.059 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.6 | -40.9 | -177.4 | -70 | -4.4 | 0 | 0 | 0 | 112.9 | I155 R163 W370 E373 V374 W380 L381 | I155-D377 WeakPolarHBondContact CG2-OD2 3.21Å; R163-D377 IonicContact CZ-OD1 3.95Å; R163-D377 IonicContact NH1-OD1 3.98Å; R163-D377 PolarHBondContact NH1-OD1 2.81Å; R163-D377 IonicContact NH1-OD2 2.59Å; R163-D377 IonicContact NH2-OD1 3.01Å; R163-D377 PolarHBondContact NH2-OD1 3.25Å; W370-D377 HydrophobicContact CZ2-CB 3.85Å; W370-D377 PolarHBondContact NE1-OD2 3.4Å; E373-D377 PolarHBondContact O-N 3.48Å; V374-D377 PolarHBondContact O-N 3.12Å; D377-W380 PolarHBondContact O-N 2.89Å; D377-L381 WeakPolarHBondContact O-CB 3.36Å; D377-L381 PolarHBondContact O-N 2.9Å |
| 378 | V | 83.1 | Confident | 80.9 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.3 | 171 | 0 | 0 | 0 | 0 | 110.6 | V374 W380 L381 F382 | V374-V378 HydrophobicContact CG1-CG2 3.76Å; V374-V378 WeakPolarHBondContact O-CB 3.41Å; V374-V378 VanDerWaalsContact O-CG2 3.24Å; V374-V378 WeakPolarHBondContact O-CG2 3.35Å; V374-V378 PolarHBondContact O-N 2.96Å; V378-W380 VanDerWaalsContact C-N 3.34Å; V378-W380 PolarHBondContact O-N 3.39Å; V378-L381 PolarHBondContact O-N 3.48Å; V378-F382 HydrophobicContact CG1-CD2 3.53Å; V378-F382 HydrophobicContact CG1-CE2 3.31Å; V378-F382 HydrophobicContact CG1-CZ 4.49Å; V378-F382 WeakPolarHBondContact O-CD2 3.25Å; V378-F382 PolarHBondContact O-N 3.04Å |
| 379 | R | 83.4 | Confident | 81.2 | Confident | 179 Ų | 179 | 78.7 Ų | 78.7 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 174.4 | -78.7 | -176.5 | -69.9 | 176.3 | -0.4 | 112 | P375 F382 G383 | P375-R379 VanDerWaalsContact O-CG 3.29Å; P375-R379 WeakPolarHBondContact O-CG 3.28Å; P375-R379 PolarHBondContact O-N 3.42Å; P375-R379 PolarHBondContact O-NE 2.84Å; R379-F382 PolarHBondContact O-N 3.13Å; R379-G383 PolarHBondContact O-N 3.12Å |
| 380 | W | 85.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 83 Ų | 83 | 28% | 0.284 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.3 | 173.6 | 76.6 | 0 | 0 | 0 | 111.9 | V121 R163 A376 D377 V378 F382 G383 V384 | V121-W380 HydrophobicContact CG1-CZ2 3.9Å; R163-W380 HydrophobicContact CG-CD2 4.19Å; R163-W380 HydrophobicContact CG-CG 4.24Å; R163-W380 HydrophobicContact CG-CZ2 4.4Å; A376-W380 PolarHBondContact O-N 2.98Å; D377-W380 PolarHBondContact O-N 2.89Å; V378-W380 VanDerWaalsContact C-N 3.34Å; V378-W380 PolarHBondContact O-N 3.39Å; W380-F382 PolarHBondContact O-N 3.32Å; W380-G383 WeakPolarHBondContact O-CA 3.24Å; W380-G383 PolarHBondContact O-N 3.02Å; W380-G383 VanDerWaalsContact O-N 3.09Å; W380-V384 HydrophobicContact CD2-CG2 4.14Å; W380-V384 HydrophobicContact CH2-CG2 4.32Å; W380-V384 HydrophobicContact CZ2-CG2 3.7Å; W380-V384 WeakPolarHBondContact O-CG2 3.44Å; W380-V384 PolarHBondContact O-N 2.83Å |
| 381 | L | 85.2 | Confident | 81.9 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 45% | 0.45 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.6 | -83.4 | 160.2 | 0 | 0 | 0 | 112.2 | D377 V378 G383 V384 A385 | D377-L381 WeakPolarHBondContact O-CB 3.36Å; D377-L381 PolarHBondContact O-N 2.9Å; V378-L381 PolarHBondContact O-N 3.48Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 2.75Å; L381-V384 PolarHBondContact O-N 3.35Å; L381-A385 WeakPolarHBondContact O-CB 3.27Å; L381-A385 PolarHBondContact O-N 2.78Å |
| 382 | F | 84.6 | Confident | 82.1 | Confident | 156 Ų | 156 | 86.7 Ų | 86.7 | 68% | 0.684 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 174.4 | -80.8 | -60.1 | 0 | 0 | 0 | 112.3 | V378 R379 W380 G386 | V378-F382 HydrophobicContact CG1-CD2 3.53Å; V378-F382 HydrophobicContact CG1-CE2 3.31Å; V378-F382 HydrophobicContact CG1-CZ 4.49Å; V378-F382 WeakPolarHBondContact O-CD2 3.25Å; V378-F382 PolarHBondContact O-N 3.04Å; R379-F382 PolarHBondContact O-N 3.13Å; W380-F382 PolarHBondContact O-N 3.32Å; F382-G386 PolarHBondContact O-N 3.5Å |
| 383 | G | 82 | Confident | 81.9 | Confident | 34 Ų | 34 | 90.3 Ų | 90.3 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R379 W380 L381 A385 G386 D387 | R379-G383 PolarHBondContact O-N 3.12Å; W380-G383 WeakPolarHBondContact O-CA 3.24Å; W380-G383 PolarHBondContact O-N 3.02Å; W380-G383 VanDerWaalsContact O-N 3.09Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 2.75Å; G383-A385 PolarHBondContact O-N 3.26Å; G383-G386 CarbonylContact O-C 3.6Å; G383-G386 PolarHBondContact O-N 3.28Å; G383-G386 VanDerWaalsContact O-N 3.13Å; G383-D387 PolarHBondContact O-N 3.46Å |
| 384 | V | 84.1 | Confident | 81.1 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 178 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | W380 L381 G386 D387 V388 | W380-V384 HydrophobicContact CD2-CG2 4.14Å; W380-V384 HydrophobicContact CH2-CG2 4.32Å; W380-V384 HydrophobicContact CZ2-CG2 3.7Å; W380-V384 WeakPolarHBondContact O-CG2 3.44Å; W380-V384 PolarHBondContact O-N 2.83Å; L381-V384 PolarHBondContact O-N 3.35Å; V384-G386 VanDerWaalsContact C-N 3.3Å; V384-G386 PolarHBondContact O-N 3.37Å; V384-D387 PolarHBondContact O-N 2.85Å; V384-V388 HydrophobicContact CG1-CG2 4.46Å; V384-V388 VanDerWaalsContact O-CG2 3.31Å; V384-V388 WeakPolarHBondContact O-CG2 3.3Å; V384-V388 PolarHBondContact O-N 2.73Å |
| 385 | A | 82.8 | Confident | 79.6 | Confident | 57 Ų | 57 | 96 Ų | 96 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L381 G383 Y389 | L381-A385 WeakPolarHBondContact O-CB 3.27Å; L381-A385 PolarHBondContact O-N 2.78Å; G383-A385 PolarHBondContact O-N 3.26Å; A385-Y389 VanDerWaalsContact O-CB 3.23Å; A385-Y389 WeakPolarHBondContact O-CB 3.12Å; A385-Y389 PolarHBondContact O-N 3.3Å |
| 386 | G | 82.3 | Confident | 78 | Confident | 32 Ų | 32 | 97.4 Ų | 97.4 | 33% | 0.33 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F382 G383 V384 Y389 R390 | F382-G386 PolarHBondContact O-N 3.5Å; G383-G386 CarbonylContact O-C 3.6Å; G383-G386 PolarHBondContact O-N 3.28Å; G383-G386 VanDerWaalsContact O-N 3.13Å; V384-G386 VanDerWaalsContact C-N 3.3Å; V384-G386 PolarHBondContact O-N 3.37Å; G386-Y389 PolarHBondContact O-N 2.8Å; G386-R390 VanDerWaalsContact O-CB 3.27Å; G386-R390 WeakPolarHBondContact O-CB 3.5Å; G386-R390 PolarHBondContact O-N 2.77Å |
| 387 | D | 84.7 | Confident | 76.3 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -44.1 | 177.1 | -71.4 | -24.8 | 0 | 0 | 0 | 111.6 | G383 V384 R390 Q391 | G383-D387 PolarHBondContact O-N 3.46Å; V384-D387 PolarHBondContact O-N 2.85Å; D387-R390 PolarHBondContact O-N 2.87Å; D387-Q391 WeakPolarHBondContact O-CB 3.28Å; D387-Q391 PolarHBondContact O-N 3.36Å |
| 388 | V | 83.9 | Confident | 74.3 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | V384 R390 Q391 A392 | V384-V388 HydrophobicContact CG1-CG2 4.46Å; V384-V388 VanDerWaalsContact O-CG2 3.31Å; V384-V388 WeakPolarHBondContact O-CG2 3.3Å; V384-V388 PolarHBondContact O-N 2.73Å; V388-R390 PolarHBondContact O-N 3.09Å; V388-Q391 PolarHBondContact O-N 2.86Å; V388-A392 VanDerWaalsContact O-CB 3.32Å; V388-A392 WeakPolarHBondContact O-CB 3.23Å; V388-A392 PolarHBondContact O-N 3.5Å |
| 389 | Y | 82.4 | Confident | 72.1 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 49% | 0.494 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.3 | -47.6 | 175.8 | 178.6 | -97 | 0 | 0 | 0 | 111 | A385 G386 Q391 A392 W393 | A385-Y389 VanDerWaalsContact O-CB 3.23Å; A385-Y389 WeakPolarHBondContact O-CB 3.12Å; A385-Y389 PolarHBondContact O-N 3.3Å; G386-Y389 PolarHBondContact O-N 2.8Å; Y389-Q391 VanDerWaalsContact C-N 3.33Å; Y389-Q391 PolarHBondContact O-N 2.87Å; Y389-A392 PolarHBondContact O-N 2.89Å; Y389-W393 HydrophobicContact CD1-CG 4.5Å; Y389-W393 AromaticContact CD2-CD1 3.72Å; Y389-W393 HydrophobicContact CD2-CG 4.3Å; Y389-W393 AromaticContact CD2-NE1 3.73Å; Y389-W393 HydrophobicContact CE1-CB 4.46Å; Y389-W393 HydrophobicContact CE1-CD2 4.13Å; Y389-W393 HydrophobicContact CE1-CE3 4.49Å; Y389-W393 HydrophobicContact CE1-CG 4.09Å; Y389-W393 AromaticContact CE2-CD1 3.52Å; Y389-W393 AromaticContact CE2-CD2 3.76Å; Y389-W393 HydrophobicContact CE2-CD2 3.76Å; Y389-W393 AromaticContact CE2-CE2 3.33Å; Y389-W393 AromaticContact CE2-CG 3.88Å; Y389-W393 HydrophobicContact CE2-CG 3.88Å; Y389-W393 AromaticContact CE2-CZ2 3.84Å; Y389-W393 HydrophobicContact CE2-CZ2 3.84Å; Y389-W393 AromaticContact CE2-NE1 3.19Å; Y389-W393 AromaticContact CZ-CD1 3.9Å; Y389-W393 AromaticContact CZ-CD2 3.46Å; Y389-W393 VanDerWaalsContact CZ-CD2 3.46Å; Y389-W393 AromaticContact CZ-CE2 3.48Å; Y389-W393 VanDerWaalsContact CZ-CE2 3.48Å; Y389-W393 AromaticContact CZ-CE3 3.9Å; Y389-W393 AromaticContact CZ-CG 3.76Å; Y389-W393 AromaticContact CZ-CZ2 3.93Å; Y389-W393 AromaticContact CZ-NE1 3.76Å; Y389-W393 VanDerWaalsContact O-CB 3.23Å; Y389-W393 WeakPolarHBondContact O-CB 3.3Å; Y389-W393 PolarHBondContact O-N 2.9Å; Y389-W393 VanDerWaalsContact OH-CD2 3.26Å; Y389-W393 VanDerWaalsContact OH-CE2 3.28Å; Y389-W393 VanDerWaalsContact OH-CE3 3.27Å; Y389-W393 WeakPolarHBondContact OH-CH2 3.34Å; Y389-W393 WeakPolarHBondContact OH-CZ2 3.19Å; Y389-W393 VanDerWaalsContact OH-CZ3 3.3Å; Y389-W393 WeakPolarHBondContact OH-CZ3 3.26Å |
| 390 | R | 81.8 | Confident | 70.1 | Confident | 169 Ų | 169 | 102.3 Ų | 102.3 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -37.2 | 178 | -169.8 | -172.5 | -59.2 | -115.3 | 0.9 | 112.3 | G386 D387 V388 K394 | G386-R390 VanDerWaalsContact O-CB 3.27Å; G386-R390 WeakPolarHBondContact O-CB 3.5Å; G386-R390 PolarHBondContact O-N 2.77Å; D387-R390 PolarHBondContact O-N 2.87Å; V388-R390 PolarHBondContact O-N 3.09Å; R390-K394 WeakPolarHBondContact O-CG 3.47Å; R390-K394 PolarHBondContact O-N 3.32Å |
| 391 | Q | 79.3 | Confident | 67.7 | Low | 156 Ų | 156 | 106.1 Ų | 106.1 | 73% | 0.729 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.5 | -37.9 | 177.5 | -170.8 | 170.2 | 3.5 | 0 | 0 | 111.8 | D387 V388 Y389 | D387-Q391 WeakPolarHBondContact O-CB 3.28Å; D387-Q391 PolarHBondContact O-N 3.36Å; V388-Q391 PolarHBondContact O-N 2.86Å; Y389-Q391 VanDerWaalsContact C-N 3.33Å; Y389-Q391 PolarHBondContact O-N 2.87Å |
| 392 | A | 80.4 | Confident | 65.2 | Low | 79 Ų | 79 | 107.5 Ų | 107.5 | 65% | 0.653 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.3 | -30.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V388 Y389 | V388-A392 VanDerWaalsContact O-CB 3.32Å; V388-A392 WeakPolarHBondContact O-CB 3.23Å; V388-A392 PolarHBondContact O-N 3.5Å; Y389-A392 PolarHBondContact O-N 2.89Å |
| 393 | W | 72 | Confident | 62.7 | Low | 176 Ų | 176 | 107.3 Ų | 107.3 | 67% | 0.667 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -97.2 | -1.6 | -178.8 | -81.6 | 57.3 | 0 | 0 | 0 | 114.3 | Y389 P395 | Y389-W393 HydrophobicContact CD1-CG 4.5Å; Y389-W393 AromaticContact CD2-CD1 3.72Å; Y389-W393 HydrophobicContact CD2-CG 4.3Å; Y389-W393 AromaticContact CD2-NE1 3.73Å; Y389-W393 HydrophobicContact CE1-CB 4.46Å; Y389-W393 HydrophobicContact CE1-CD2 4.13Å; Y389-W393 HydrophobicContact CE1-CE3 4.49Å; Y389-W393 HydrophobicContact CE1-CG 4.09Å; Y389-W393 AromaticContact CE2-CD1 3.52Å; Y389-W393 AromaticContact CE2-CD2 3.76Å; Y389-W393 HydrophobicContact CE2-CD2 3.76Å; Y389-W393 AromaticContact CE2-CE2 3.33Å; Y389-W393 AromaticContact CE2-CG 3.88Å; Y389-W393 HydrophobicContact CE2-CG 3.88Å; Y389-W393 AromaticContact CE2-CZ2 3.84Å; Y389-W393 HydrophobicContact CE2-CZ2 3.84Å; Y389-W393 AromaticContact CE2-NE1 3.19Å; Y389-W393 AromaticContact CZ-CD1 3.9Å; Y389-W393 AromaticContact CZ-CD2 3.46Å; Y389-W393 VanDerWaalsContact CZ-CD2 3.46Å; Y389-W393 AromaticContact CZ-CE2 3.48Å; Y389-W393 VanDerWaalsContact CZ-CE2 3.48Å; Y389-W393 AromaticContact CZ-CE3 3.9Å; Y389-W393 AromaticContact CZ-CG 3.76Å; Y389-W393 AromaticContact CZ-CZ2 3.93Å; Y389-W393 AromaticContact CZ-NE1 3.76Å; Y389-W393 VanDerWaalsContact O-CB 3.23Å; Y389-W393 WeakPolarHBondContact O-CB 3.3Å; Y389-W393 PolarHBondContact O-N 2.9Å; Y389-W393 VanDerWaalsContact OH-CD2 3.26Å; Y389-W393 VanDerWaalsContact OH-CE2 3.28Å; Y389-W393 VanDerWaalsContact OH-CE3 3.27Å; Y389-W393 WeakPolarHBondContact OH-CH2 3.34Å; Y389-W393 WeakPolarHBondContact OH-CZ2 3.19Å; Y389-W393 VanDerWaalsContact OH-CZ3 3.3Å; Y389-W393 WeakPolarHBondContact OH-CZ3 3.26Å; W393-P395 WeakPolarHBondContact O-CD 3.15Å; W393-P395 VanDerWaalsContact O-N 3.09Å |
| 394 | K | 61.1 | Low | 60.2 | Low | 151 Ų | 151 | 116.3 Ų | 116.3 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -60.1 | 114 | 165.4 | -93.7 | 178.4 | -178.6 | -177.8 | 0 | 107.3 | R390 S396 | R390-K394 WeakPolarHBondContact O-CG 3.47Å; R390-K394 PolarHBondContact O-N 3.32Å; K394-S396 PolarHBondContact O-N 3.3Å |
| 395 | P | 49.8 | Very low | 57.6 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | trans | -57.7 | 138.9 | 171.4 | -16 | 29.9 | 0 | 0 | 0 | 107.4 | W393 A397 | W393-P395 WeakPolarHBondContact O-CD 3.15Å; W393-P395 VanDerWaalsContact O-N 3.09Å; P395-A397 PolarHBondContact O-N 2.91Å | ||
| 396 | S | 43.9 | Very low | 55.2 | Low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -60.1 | 88.8 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | K394 A398 | K394-S396 PolarHBondContact O-N 3.3Å; S396-A398 PolarHBondContact O-N 3.26Å | ||
| 397 | A | 46.5 | Very low | 52.9 | Low | 107 Ų | 107 | 133.4 Ų | 133.4 | 88% | 0.884 | 73% | 0.73 | S | S | * | * | trans | -80.2 | 58.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P395 | P395-A397 PolarHBondContact O-N 2.91Š| ||
| 398 | A | 41.3 | Very low | 50.4 | Low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -158.2 | 50.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | S396 | S396-A398 PolarHBondContact O-N 3.26Š| ||
| 399 | A | 37.4 | Very low | 47.9 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -152.3 | 51.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 400 | A | 40 | Very low | 45.5 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -127.8 | 109.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 401 | N | 36.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 64.9 | 69.3 | 172.6 | -63.8 | -4 | 0 | 0 | 0 | 117.7 | ||||
| 402 | S | 32.2 | Very low | 41.2 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -87.5 | 88.6 | 137.7 | 52.8 | 0 | 0 | 0 | 0 | 108.3 | R404 | S402-R404 VanDerWaalsContact C-N 3.34Å; S402-R404 PolarHBondContact O-N 3.12Å | ||
| 403 | D | 31.4 | Very low | 39.1 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -58.2 | 108.1 | 156.7 | -96 | -30.6 | 0 | 0 | 0 | 106.7 | C405 | D403-C405 VanDerWaalsContact C-N 3.34Å; D403-C405 PolarHBondContact O-N 3.49Å | ||
| 404 | R | 30.3 | Very low | 37.2 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -54.7 | 101.7 | 168.8 | -87.5 | 178.7 | 168.8 | -178.2 | -2.8 | 107.3 | S402 L406 | S402-R404 VanDerWaalsContact C-N 3.34Å; S402-R404 PolarHBondContact O-N 3.12Å; R404-L406 PolarHBondContact O-N 3.03Å | ||
| 405 | C | 29.7 | Very low | 36.2 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 84.8 | 162.7 | -169 | 0 | 0 | 0 | 0 | 108 | D403 R407 | D403-C405 VanDerWaalsContact C-N 3.34Å; D403-C405 PolarHBondContact O-N 3.49Å; C405-R407 PolarHBondContact O-N 2.83Å | ||
| 406 | L | 33.2 | Very low | 35.5 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -64.7 | 109 | 161.2 | -75.6 | 167 | 0 | 0 | 0 | 106.4 | R404 K408 | R404-L406 PolarHBondContact O-N 3.03Å; L406-K408 PolarHBondContact O-N 3.24Å | ||
| 407 | R | 33.8 | Very low | 34.8 | Very low | 237 Ų | 237 | 136.2 Ų | 136.2 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -55.7 | 99.7 | 167.5 | -76.8 | -173.9 | -173.8 | 173.9 | 2 | 108.7 | C405 | C405-R407 PolarHBondContact O-N 2.83Š| ||
| 408 | K | 30.5 | Very low | 33.9 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 107.1 | 158.4 | -88.6 | -179.3 | 175 | 176.4 | 0 | 107.3 | L406 L410 | L406-K408 PolarHBondContact O-N 3.24Å; K408-L410 PolarHBondContact O-N 3Å | ||
| 409 | C | 33 | Very low | 34 | Very low | 123 Ų | 123 | 140 Ų | 140 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 109.3 | 158.9 | -66.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 410 | L | 31.7 | Very low | 33.5 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | trans | -133.9 | 100 | 162.7 | -75.5 | 172.4 | 0 | 0 | 0 | 107.6 | K408 | K408-L410 PolarHBondContact O-N 3Š| ||
| 411 | S | 35 | Very low | 33 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -64 | 130.8 | 155.8 | 46 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 412 | V | 36.3 | Very low | 33.1 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 161 | 146.5 | 144.3 | 158.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 413 | P | 34.5 | Very low | 33 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -97.1 | -179 | -149.8 | 40.8 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 414 | P | 33.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -82.6 | 148.8 | -155.4 | 34.2 | -32.5 | 0 | 0 | 0 | 113.8 | ||||
| 415 | L | 39.1 | Very low | 33 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -77.8 | 151.3 | 164 | -111.4 | 107.1 | 0 | 0 | 0 | 110.9 | ||||
| 416 | P | 34.8 | Very low | 33 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -121.6 | 155.5 | 154.7 | 32.1 | -17.6 | 0 | 0 | 0 | 114.6 | ||||
| 417 | S | 29.4 | Very low | 32.9 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 74.4 | 103 | 152.7 | 58.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 418 | E | 27.2 | Very low | 33.7 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 41.1 | 163.2 | 108.2 | -69 | -112.9 | 147.4 | 0 | 0 | 120.2 | |||||
| 419 | P | 44.7 | Very low | 33.6 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | cis | -137.1 | -175.3 | -29.6 | 31.6 | -10.1 | 0 | 0 | 0 | 112.7 | ||||
| 420 | E | 27.2 | Very low | 33.5 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | 140.7 | 124.3 | 139.7 | -72.1 | -164.4 | 164.7 | 0 | 0 | 114.7 | ||||
| 421 | S | 27.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -74.4 | -171 | 171.8 | 65 | 0 | 0 | 0 | 0 | 112 | ||||
| 422 | P | 40.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -142.1 | 177.3 | -1.3 | 45 | -26.2 | 0 | 0 | 0 | 115.4 | ||||
| 423 | T | 29.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 39.6 | 120 | 150.7 | -14.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 424 | Q | 29.8 | Very low | 33.2 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | 170 | 127.6 | 105.5 | -90.7 | 178.2 | 13.2 | 0 | 0 | 113 | |||||
| 425 | T | 31.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 6.1 | 128.7 | 141.2 | -8.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 426 | I | 30 | Very low | 32.9 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | trans | -165.9 | 135.1 | 133.1 | -87.5 | 142.3 | 0 | 0 | 0 | 108.4 | ||||
| 427 | V | 30.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -118.3 | 171.9 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 428 | P | 52.6 | Low | 32.7 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | cis | -123.7 | -178.2 | -35.2 | 31.1 | -12.6 | 0 | 0 | 0 | 112.4 | ||||
| 429 | A | 27.3 | Very low | 32.9 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | -158.7 | 109.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 430 | L | 30.6 | Very low | 32.1 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | 76.3 | 100 | 102.8 | -72.1 | 163.6 | 0 | 0 | 0 | 113.8 | |||||
| 431 | S | 28.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | 90 | 131 | 98 | 73.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 432 | S | 33.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | -149.3 | 135.1 | 56.6 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 433 | F | 33.1 | Very low | 32.6 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 75% | 0.746 | 74% | 0.743 | S | S | * | * | 41.3 | 122.9 | 84.9 | -91.8 | -102.9 | 0 | 0 | 0 | 113 | L435 | F433-L435 HydrophobicContact CD1-CD1 3.48Å; F433-L435 VanDerWaalsContact CD1-CD1 3.48Å; F433-L435 HydrophobicContact CE1-CD1 3.31Å; F433-L435 HydrophobicContact CZ-CD1 4.37Å | |||
| 434 | D | 37.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -155.4 | 136.1 | 47.2 | -95.9 | -52.6 | 0 | 0 | 0 | 111.3 | ||||
| 435 | L | 32.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 59% | 0.586 | 75% | 0.748 | S | S | * | * | 75.4 | 136.7 | 82.7 | -95.9 | 115.8 | 0 | 0 | 0 | 114.4 | F433 | F433-L435 HydrophobicContact CD1-CD1 3.48Å; F433-L435 VanDerWaalsContact CD1-CD1 3.48Å; F433-L435 HydrophobicContact CE1-CD1 3.31Å; F433-L435 HydrophobicContact CZ-CD1 4.37Å | |||
| 436 | H | 33.2 | Very low | 32.7 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -148.9 | 132 | 35.6 | -113.2 | -93.6 | 0 | 0 | 0 | 109.6 | ||||
| 437 | S | 27.8 | Very low | 32.6 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 74.3 | 101 | 85.7 | -174.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 438 | N | 31.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | 19.4 | 135.9 | 127.9 | -62 | -18.5 | 0 | 0 | 0 | 121.6 | |||||
| 439 | Y | 30.4 | Very low | 31.4 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | trans | -179.7 | 137.1 | 134.9 | -114.1 | -56.1 | 0 | 0 | 0 | 108.3 | ||||
| 440 | W | 29.9 | Very low | 31.5 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | cis | -156.3 | 139.6 | 28.7 | -84.1 | 92.8 | 0 | 0 | 0 | 111.8 | I442 | W440-I442 HydrophobicContact CB-CG1 4.47Å; W440-I442 HydrophobicContact CD2-CD1 4.34Å; W440-I442 HydrophobicContact CE3-CD1 3.82Å; W440-I442 HydrophobicContact CE3-CG1 3.81Å; W440-I442 HydrophobicContact CZ3-CD1 4.34Å | ||
| 441 | D | 33.4 | Very low | 31.3 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -105.8 | 137.9 | 152.4 | -95.1 | -42.2 | 0 | 0 | 0 | 108.1 | ||||
| 442 | I | 32.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 130 Ų | 130 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -148.8 | 154 | 168.5 | -22.4 | -178.3 | 0 | 0 | 0 | 107.9 | W440 | W440-I442 HydrophobicContact CB-CG1 4.47Å; W440-I442 HydrophobicContact CD2-CD1 4.34Å; W440-I442 HydrophobicContact CE3-CD1 3.82Å; W440-I442 HydrophobicContact CE3-CG1 3.81Å; W440-I442 HydrophobicContact CZ3-CD1 4.34Å | ||
| 443 | P | 39 | Very low | 32 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | -129.2 | -179 | -91.8 | 41.7 | -24.1 | 0 | 0 | 0 | 112.6 | |||||
| 444 | S | 32 | Very low | 31.9 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -90 | 150.4 | 164.9 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 445 | S | 28.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -118.7 | 122.5 | 162.4 | 53 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 446 | T | 30.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -39.4 | 147.4 | 167.4 | 39.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 447 | S | 28.6 | Very low | 32.1 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 178.1 | 129 | 97.2 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 448 | S | 29.9 | Very low | 32.3 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 37.5 | 122.1 | 139.3 | 59.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 449 | S | 28.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | 90.2 | 132.5 | 115.3 | 72 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 450 | L | 29 | Very low | 32.1 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | 79.3 | 126.2 | 143.9 | -72.6 | 151.5 | 0 | 0 | 0 | 120.3 | ||||
| 451 | G | 26.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 116.3 | 107.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 452 | A | 32.2 | Very low | 31.9 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -85.4 | 165.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 453 | P | 44.1 | Very low | 32 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -137.5 | -163.1 | 9.9 | 38.8 | -17.2 | 0 | 0 | 0 | 113.8 | ||||
| 454 | S | 30.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 102.2 | 121.2 | 155 | 76.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 455 | S | 36.9 | Very low | 31.5 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -65.1 | 151.8 | 152.5 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 456 | P | 41.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -150.1 | 158 | 107.6 | 35.3 | -16.9 | 0 | 0 | 0 | 116.8 | |||||
| 457 | Q | 29.2 | Very low | 31.8 | Very low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 56.6 | 107.5 | 140.6 | -70.9 | 173.9 | -33.8 | 0 | 0 | 122.1 | ||||
| 458 | Q | 32 | Very low | 32.1 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | 35.3 | 114.9 | 108.6 | -127.3 | 175.4 | 8.2 | 0 | 0 | 118.6 | |||||
| 459 | V | 30.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | trans | -139.1 | 117.7 | 141 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | F461 | V459-F461 HydrophobicContact CG1-CE2 4.32Š| ||
| 460 | C | 28.7 | Very low | 33.2 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | trans | -73.9 | 148.1 | 165.7 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 461 | F | 30.3 | Very low | 33.7 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 89% | 0.886 | 76% | 0.759 | S | S | * | * | trans | -116.3 | 119.6 | 147.4 | -90.4 | -81 | 0 | 0 | 0 | 109.3 | V459 | V459-F461 HydrophobicContact CG1-CE2 4.32Š| ||
| 462 | F | 28.9 | Very low | 35 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -102.2 | 127.1 | 176.3 | -133 | -85.4 | 0 | 0 | 0 | 107.1 | ||||
| 463 | V | 33.4 | Very low | 35.6 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -150.1 | 96.8 | 153.5 | -178.4 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 464 | G | 29.5 | Very low | 35.3 | Very low | 54 Ų | 54 | 140 Ų | 140 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | 63.6 | 113.9 | 65.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 465 | S | 31.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | -178 | 150.2 | 29.7 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 466 | Q | 32.8 | Very low | 36.4 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 64.7 | 136.8 | 143.6 | -75.6 | 167.5 | -16.8 | 0 | 0 | 119 | ||||
| 467 | D | 33.1 | Very low | 36.1 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | cis | -156.7 | 149.2 | 15.5 | -90 | -41.6 | 0 | 0 | 0 | 109.6 | ||||
| 468 | E | 34.1 | Very low | 36.5 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -123.5 | 173.3 | 159.3 | -109.8 | -121.7 | 144.9 | 0 | 0 | 106 | ||||
| 469 | P | 47.8 | Very low | 36.8 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | cis | -128.9 | 179.1 | -42 | 32.8 | -15.8 | 0 | 0 | 0 | 110.3 | ||||
| 470 | Q | 33.4 | Very low | 37.2 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -172.5 | 119.7 | 140 | -106.2 | 165.3 | 26.2 | 0 | 0 | 112.6 | ||||
| 471 | S | 39.4 | Very low | 37.8 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 172.5 | 145 | -21.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 472 | P | 55.8 | Low | 38.3 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -148.5 | -171.3 | 26.2 | 42.5 | -19.9 | 0 | 0 | 0 | 117 | ||||
| 473 | E | 43.1 | Very low | 39 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 81.1 | 107.8 | 150.8 | -78.3 | -175.2 | 167.4 | 0 | 0 | 122.9 | ||||
| 474 | R | 39.2 | Very low | 39.5 | Very low | 220 Ų | 220 | 142.7 Ų | 142.7 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | 60.9 | 153.4 | 125.9 | -95.6 | -164.7 | -135 | -168.4 | 5.7 | 120.5 | |||||
| 475 | P | 54 | Low | 40.4 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 100% | 1.214 | 80% | 0.801 | S | S | * | * | cis | -102.8 | 0 | 45.1 | -4.3 | 26.1 | 0 | 0 | 0 | 117 |
Retrieved 475 of 475 residues in 140.5 ms
(Link to these results)