| 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 | 31 | Very low | 74.7 | Confident | 232 Ų | 232 | 74.1 Ų | 74.1 | 100% | 1.143 | 39% | 0.394 | S | S | * | . | 0 | 108.5 | 0 | -63.1 | 177.2 | -161 | 0 | 0 | 106.5 | |||||
| 2 | D | 41.2 | Very low | 76.7 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | trans | -89.7 | 104.7 | 178.5 | -165.2 | 32.4 | 0 | 0 | 0 | 106.8 | G4 K192 | D2-G4 PolarHBondContact O-N 2.85Å; D2-K192 IonicContact OD2-NZ 3.19Å; D2-K192 PolarHBondContact OD2-NZ 2.79Å | ||
| 3 | N | 41.4 | Very low | 78.3 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 81% | 0.807 | 34% | 0.337 | S | S | * | . | trans | -70.3 | 57.3 | -169.4 | -86.5 | -3.6 | 0 | 0 | 0 | 113.4 | N5 | N3-N5 PolarHBondContact O-N 2.78Š| ||
| 4 | G | 56.7 | Low | 79.6 | Confident | 61 Ų | 61 | 59 Ų | 59 | 63% | 0.629 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 60.5 | 4.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D2 | D2-G4 PolarHBondContact O-N 2.85Š|
| 5 | N | 77.5 | Confident | 80.6 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | trans | -79.3 | 137.5 | -169.8 | -153.4 | 18.2 | 0 | 0 | 0 | 110 | N3 K192 | N3-N5 PolarHBondContact O-N 2.78Å; N5-K192 VanDerWaalsContact O-CE 3.27Å; N5-K192 WeakPolarHBondContact O-CE 3.36Å; N5-K192 PolarHBondContact O-NZ 3.06Å | ||
| 6 | F | 91.4 | Very high | 81.3 | Confident | 46 Ų | 46 | 66 Ų | 66 | 20% | 0.202 | 36% | 0.359 | C | S | . | . | trans | -119 | 152.6 | 178.1 | 66.8 | -83.1 | 0 | 0 | 0 | 109.7 | R8 K192 A193 A196 L197 | F6-R8 HydrophobicContact CD2-CG 4.15Å; F6-R8 HydrophobicContact CE2-CG 3.7Å; F6-K192 HydrophobicContact CB-CD 4.26Å; F6-K192 HydrophobicContact CB-CG 4.07Å; F6-A193 HydrophobicContact CD2-CB 3.78Å; F6-A196 HydrophobicContact CB-CB 4.35Å; F6-A196 HydrophobicContact CD1-CB 3.27Å; F6-A196 HydrophobicContact CD2-CB 4.03Å; F6-A196 HydrophobicContact CE1-CB 3.38Å; F6-A196 HydrophobicContact CE2-CB 4.09Å; F6-A196 HydrophobicContact CG-CB 3.62Å; F6-A196 HydrophobicContact CZ-CB 3.78Å; F6-L197 HydrophobicContact CE2-CD1 4.16Å; F6-L197 HydrophobicContact CE2-CD2 3.89Å; F6-L197 HydrophobicContact CE2-CG 3.79Å; F6-L197 HydrophobicContact CZ-CD2 3.89Å; F6-L197 HydrophobicContact CZ-CG 4.16Å | ||
| 7 | Y | 95.4 | Very high | 81.9 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | trans | -104.9 | 129.2 | 179.6 | -57.4 | -77.8 | 0 | 0 | 0 | 109.3 | S168 A169 K170 A193 | Y7-S168 CarbonylContact C-O 3.54Å; Y7-S168 WeakPolarHBondContact CA-O 3.24Å; Y7-A169 VanDerWaalsContact CD1-O 3.3Å; Y7-A169 WeakPolarHBondContact CD1-O 3.24Å; Y7-A169 WeakPolarHBondContact CE1-O 3.09Å; Y7-K170 HydrophobicContact CD1-CB 3.85Å; Y7-K170 HydrophobicContact CD2-CB 3.87Å; Y7-K170 HydrophobicContact CD2-CD 4.45Å; Y7-K170 HydrophobicContact CD2-CG 4.24Å; Y7-K170 HydrophobicContact CE1-CB 4.26Å; Y7-K170 HydrophobicContact CE1-CD 4.32Å; Y7-K170 HydrophobicContact CE2-CB 4.31Å; Y7-K170 HydrophobicContact CE2-CD 4.06Å; Y7-K170 HydrophobicContact CE2-CG 4.32Å; Y7-K170 HydrophobicContact CG-CB 3.63Å; Y7-K170 HydrophobicContact CG-CG 4.48Å; Y7-A193 WeakPolarHBondContact O-CB 3.43Å | ||
| 8 | R | 94.7 | Very high | 82.6 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 25% | 0.249 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -88.6 | -31.1 | 174.2 | -64.9 | -158.9 | -52.9 | -112.7 | 2.4 | 112.2 | F6 I144 V145 S168 L197 | F6-R8 HydrophobicContact CD2-CG 4.15Å; F6-R8 HydrophobicContact CE2-CG 3.7Å; R8-I144 CarbonylContact O-C 3.51Å; R8-I144 WeakPolarHBondContact O-CA 3.27Å; R8-V145 PolarHBondContact O-N 2.74Å; R8-S168 PolarHBondContact N-O 2.81Å; R8-L197 HydrophobicContact CG-CD1 4.32Å |
| 9 | H | 96.8 | Very high | 83.2 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 6% | 0.06 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 101 | -173.8 | -45.9 | 145.8 | 0 | 0 | 0 | 109.5 | F11 F138 I163 S168 A169 K170 | H9-F11 HydrophobicContact CB-CD2 4.46Å; H9-F11 HydrophobicContact CB-CE2 3.76Å; H9-F11 HydrophobicContact CB-CZ 4.42Å; H9-F138 HydrophobicContact CB-CD1 4.13Å; H9-F138 HydrophobicContact CB-CE1 4.13Å; H9-F138 AromaticContact CD2-CD1 3.88Å; H9-F138 PolarHBondContact CE1-O 3.08Å; H9-F138 AromaticContact CG-CD1 3.86Å; H9-F138 PolarHBondContact NE2-O 3.19Å; H9-F138 VanDerWaalsContact NE2-O 3.17Å; H9-I163 HydrophobicContact CB-CG2 4.35Å; H9-I163 WeakPolarHBondContact ND1-CG2 3.34Å; H9-S168 PolarHBondContact N-O 3.39Å; H9-A169 HydrophobicContact CB-CB 4.08Å; H9-A169 CarbonylContact O-C 3.57Å; H9-A169 VanDerWaalsContact O-CA 3.22Å; H9-A169 WeakPolarHBondContact O-CA 3.15Å; H9-K170 PolarHBondContact O-N 2.76Å |
| 10 | L | 98 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 108.8 | -178.3 | -50.4 | -176.8 | 0 | 0 | 0 | 108.7 | V145 I146 A147 K170 F172 V186 C189 V190 | L10-V145 PolarHBondContact N-O 3.17Å; L10-I146 HydrophobicContact CD1-CG1 4.49Å; L10-I146 WeakPolarHBondContact O-CA 3.4Å; L10-A147 PolarHBondContact O-N 3.03Å; L10-K170 HydrophobicContact CD2-CB 4.12Å; L10-F172 HydrophobicContact CB-CE2 4.21Å; L10-F172 HydrophobicContact CD2-CE2 4.11Å; L10-V186 HydrophobicContact CD1-CG1 3.96Å; L10-C189 HydrophobicContact CD1-CB 3.87Å; L10-C189 HydrophobicContact CD2-CB 3.97Å; L10-V190 HydrophobicContact CD1-CG2 3.48Å; L10-V190 VanDerWaalsContact CD1-CG2 3.48Å |
| 11 | F | 98.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.3 | 176.4 | -67.1 | -84.7 | 0 | 0 | 0 | 110 | H9 F138 A147 I149 I163 R164 A169 K170 L171 F172 | H9-F11 HydrophobicContact CB-CD2 4.46Å; H9-F11 HydrophobicContact CB-CE2 3.76Å; H9-F11 HydrophobicContact CB-CZ 4.42Å; F11-F138 AromaticContact CE1-CE1 3.86Å; F11-F138 HydrophobicContact CE1-CE1 3.86Å; F11-F138 HydrophobicContact CE1-CE2 4.5Å; F11-F138 AromaticContact CE1-CZ 3.6Å; F11-F138 HydrophobicContact CE1-CZ 3.6Å; F11-F138 HydrophobicContact CE2-CE1 4.2Å; F11-F138 HydrophobicContact CZ-CD1 4.21Å; F11-F138 AromaticContact CZ-CE1 3.42Å; F11-F138 HydrophobicContact CZ-CE1 3.42Å; F11-F138 VanDerWaalsContact CZ-CE1 3.42Å; F11-F138 AromaticContact CZ-CZ 3.64Å; F11-F138 HydrophobicContact CZ-CZ 3.64Å; F11-A147 CarbonylContact C-O 3.55Å; F11-A147 VanDerWaalsContact CA-O 3.3Å; F11-A147 WeakPolarHBondContact CA-O 3.48Å; F11-A147 HydrophobicContact CD1-CB 4.1Å; F11-A147 HydrophobicContact CE1-CB 4.16Å; F11-I149 HydrophobicContact CB-CD1 4.2Å; F11-I149 HydrophobicContact CD1-CD1 4.19Å; F11-I149 HydrophobicContact CD1-CG2 3.92Å; F11-I149 HydrophobicContact CE1-CG2 4.4Å; F11-I149 HydrophobicContact CG-CD1 4.45Å; F11-I163 HydrophobicContact CE2-CG2 4.17Å; F11-I163 HydrophobicContact CZ-CG2 3.9Å; F11-R164 HydrophobicContact CD1-CG 4.05Å; F11-R164 HydrophobicContact CD2-CG 4.13Å; F11-R164 HydrophobicContact CE1-CG 3.67Å; F11-R164 HydrophobicContact CE2-CB 4.27Å; F11-R164 HydrophobicContact CE2-CG 3.77Å; F11-R164 HydrophobicContact CG-CG 4.26Å; F11-R164 HydrophobicContact CZ-CB 4.45Å; F11-R164 HydrophobicContact CZ-CG 3.52Å; F11-A169 HydrophobicContact CD2-CB 4.34Å; F11-A169 HydrophobicContact CE2-CB 4.11Å; F11-K170 PolarHBondContact N-O 2.97Å; F11-L171 HydrophobicContact CB-CD1 3.56Å; F11-L171 CarbonylContact O-C 3.48Å; F11-L171 WeakPolarHBondContact O-CA 3.41Å; F11-F172 PolarHBondContact O-N 2.57Å |
| 12 | I | 98.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.7 | 173.9 | -63.5 | 154.1 | 0 | 0 | 0 | 108.5 | K20 L23 V24 I146 A147 T148 I149 F172 I174 V186 | I12-K20 HydrophobicContact CG2-CG 4.5Å; I12-L23 HydrophobicContact CD1-CD2 3.77Å; I12-V24 HydrophobicContact CD1-CG2 4.2Å; I12-I146 HydrophobicContact CD1-CG2 3.91Å; I12-A147 PolarHBondContact N-O 3Å; I12-T148 HydrophobicContact CB-CG2 4.17Å; I12-T148 HydrophobicContact CG2-CG2 4.49Å; I12-T148 CarbonylContact O-C 3.57Å; I12-T148 WeakPolarHBondContact O-CA 3.47Å; I12-I149 PolarHBondContact O-N 3.16Å; I12-F172 CarbonylContact C-O 3.52Å; I12-F172 WeakPolarHBondContact CA-O 3.47Å; I12-F172 HydrophobicContact CG1-CB 4.44Å; I12-I174 HydrophobicContact CG2-CD1 4.28Å; I12-I174 HydrophobicContact CG2-CG1 4.33Å; I12-I174 HydrophobicContact CG2-CG2 4.15Å; I12-V186 HydrophobicContact CG1-CG2 4.42Å |
| 13 | T | 97.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 164.4 | 177.5 | -161.7 | 0 | 0 | 0 | 0 | 111.5 | I149 P150 A151 L171 F172 E173 I174 | T13-I149 WeakPolarHBondContact CA-O 3.3Å; T13-I149 PolarHBondContact OG1-O 2.86Å; T13-P150 PolarHBondContact OG1-O 3.29Å; T13-A151 VanDerWaalsContact OG1-CA 3.23Å; T13-A151 WeakPolarHBondContact OG1-CA 3.38Å; T13-A151 PolarHBondContact OG1-N 2.95Å; T13-L171 HydrophobicContact CG2-CD1 3.77Å; T13-L171 HydrophobicContact CG2-CD2 4.34Å; T13-L171 HydrophobicContact CG2-CG 4.16Å; T13-F172 PolarHBondContact N-O 3.02Å; T13-E173 HydrophobicContact CG2-CB 4.01Å; T13-E173 HydrophobicContact CG2-CG 4.14Å; T13-E173 WeakPolarHBondContact O-CA 3.34Å; T13-I174 WeakPolarHBondContact O-CG1 3.44Å; T13-I174 PolarHBondContact O-N 3.11Å |
| 14 | G | 96.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 15 | L | 95 | Very high | 94.8 | Very high | 120 Ų | 120 | 36.2 Ų | 36.2 | 63% | 0.628 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -62.1 | 150.2 | -178.8 | -65.1 | 177.7 | 0 | 0 | 0 | 111.9 | G17 V18 | L15-G17 PolarHBondContact O-N 3.34Å; L15-V18 VanDerWaalsContact O-CB 3.28Å; L15-V18 WeakPolarHBondContact O-CB 3.39Å; L15-V18 WeakPolarHBondContact O-CG1 3.33Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-V18 VanDerWaalsContact O-N 3.14Å |
| 16 | P | 91.4 | Very high | 95.7 | Very high | 110 Ų | 110 | 37.3 Ų | 37.3 | 71% | 0.714 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.5 | 173 | -26.4 | 35.1 | 0 | 0 | 0 | 112 | V18 | P16-V18 VanDerWaalsContact C-N 3.29Å; P16-V18 PolarHBondContact O-N 3.46Å |
| 17 | G | 91.2 | Very high | 96 | Very high | 72 Ų | 72 | 35.2 Ų | 35.2 | 74% | 0.742 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L15 G19 | L15-G17 PolarHBondContact O-N 3.34Å; G17-G19 PolarHBondContact O-N 3.48Å |
| 18 | V | 94.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -69.2 | -20.2 | 176.6 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | L15 P16 K20 I174 K176 | L15-V18 VanDerWaalsContact O-CB 3.28Å; L15-V18 WeakPolarHBondContact O-CB 3.39Å; L15-V18 WeakPolarHBondContact O-CG1 3.33Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-V18 VanDerWaalsContact O-N 3.14Å; P16-V18 VanDerWaalsContact C-N 3.29Å; P16-V18 PolarHBondContact O-N 3.46Å; V18-K20 HydrophobicContact CG1-CG 3.86Å; V18-I174 HydrophobicContact CG1-CD1 3.78Å; V18-I174 HydrophobicContact CG1-CG1 3.71Å; V18-I174 HydrophobicContact CG2-CG1 4.49Å; V18-K176 HydrophobicContact CG2-CG 4.37Å |
| 19 | G | 94.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 104.2 | 35.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G17 T22 L23 | G17-G19 PolarHBondContact O-N 3.48Å; G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 3.29Å; G19-L23 PolarHBondContact O-N 3.18Å |
| 20 | K | 96.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.6 | -55.5 | 173.9 | -55.3 | -166.3 | -46.2 | -76.7 | 0 | 111.3 | I12 V18 T22 L23 V24 E119 T148 I174 | I12-K20 HydrophobicContact CG2-CG 4.5Å; V18-K20 HydrophobicContact CG1-CG 3.86Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3.01Å; K20-L23 WeakPolarHBondContact O-CB 3.46Å; K20-L23 PolarHBondContact O-N 3.39Å; K20-V24 WeakPolarHBondContact O-CG2 3.07Å; K20-V24 PolarHBondContact O-N 2.99Å; K20-E119 WeakPolarHBondContact CE-OE2 3.39Å; K20-E119 IonicContact NZ-OE2 2.95Å; K20-E119 PolarHBondContact NZ-OE2 3.47Å; K20-T148 HydrophobicContact CB-CG2 4.15Å; K20-I174 HydrophobicContact CB-CD1 4.31Å; K20-I174 HydrophobicContact CG-CD1 3.88Å; K20-I174 HydrophobicContact CG-CG1 4.23Å |
| 21 | T | 95.7 | Very high | 96 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.2 | -42.2 | 174.4 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L23 V24 C25 Y42 T43 D118 | T21-L23 VanDerWaalsContact C-N 3.32Å; T21-L23 PolarHBondContact O-N 3.16Å; T21-V24 PolarHBondContact O-N 3.45Å; T21-C25 PolarHBondContact O-N 3.41Å; T21-C25 PolarHBondContact O-SG 3.42Å; T21-Y42 HydrophobicContact CG2-CD2 4.36Å; T21-T43 WeakPolarHBondContact CG2-O 3.47Å; T21-T43 PolarHBondContact OG1-O 2.91Å; T21-D118 WeakPolarHBondContact CB-OD2 3.31Å; T21-D118 WeakPolarHBondContact CG2-OD2 3.46Å; T21-D118 PolarHBondContact OG1-OD2 2.56Å |
| 22 | T | 95.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 177 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | G19 K20 R26 | G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 3.29Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3.01Å; T22-R26 WeakPolarHBondContact O-CB 3.22Å; T22-R26 WeakPolarHBondContact O-CG 3.27Å; T22-R26 PolarHBondContact O-N 3.32Å; T22-R26 VanDerWaalsContact O-N 3.12Å |
| 23 | L | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 174.3 | -174.3 | 162.9 | 0 | 0 | 0 | 110.3 | I12 G19 K20 T21 R26 L27 I174 R179 T182 L183 | I12-L23 HydrophobicContact CD1-CD2 3.77Å; G19-L23 PolarHBondContact O-N 3.18Å; K20-L23 WeakPolarHBondContact O-CB 3.46Å; K20-L23 PolarHBondContact O-N 3.39Å; T21-L23 VanDerWaalsContact C-N 3.32Å; T21-L23 PolarHBondContact O-N 3.16Å; L23-R26 PolarHBondContact O-N 3.04Å; L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 PolarHBondContact O-N 3.34Å; L23-I174 HydrophobicContact CD1-CD1 4.28Å; L23-I174 HydrophobicContact CD1-CG2 3.91Å; L23-R179 HydrophobicContact CB-CG 4.38Å; L23-R179 HydrophobicContact CD1-CG 4.17Å; L23-T182 HydrophobicContact CD1-CG2 4.24Å; L23-L183 HydrophobicContact CD1-CB 4.42Å; L23-L183 HydrophobicContact CD2-CD1 4.05Å; L23-L183 HydrophobicContact CG-CB 4.11Å; L23-L183 HydrophobicContact CG-CD1 4.12Å |
| 24 | V | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | I12 K20 T21 R26 L27 C28 V116 D118 T148 | I12-V24 HydrophobicContact CD1-CG2 4.2Å; K20-V24 WeakPolarHBondContact O-CG2 3.07Å; K20-V24 PolarHBondContact O-N 2.99Å; T21-V24 PolarHBondContact O-N 3.45Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.05Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 3.11Å; V24-L27 VanDerWaalsContact O-N 3.16Å; V24-C28 PolarHBondContact O-N 2.92Å; V24-C28 PolarHBondContact O-SG 3.34Å; V24-V116 HydrophobicContact CG1-CG1 3.39Å; V24-D118 HydrophobicContact CG1-CB 4.15Å; V24-D118 HydrophobicContact CG2-CB 4.28Å; V24-T148 HydrophobicContact CG2-CG2 3.53Å |
| 25 | C | 96.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 176.9 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | T21 L27 C28 D29 | T21-C25 PolarHBondContact O-N 3.41Å; T21-C25 PolarHBondContact O-SG 3.42Å; C25-L27 VanDerWaalsContact C-N 3.3Å; C25-L27 PolarHBondContact O-N 3.26Å; C25-C28 WeakPolarHBondContact O-CB 3.22Å; C25-C28 PolarHBondContact O-N 3.17Å; C25-D29 PolarHBondContact O-N 2.78Å |
| 26 | R | 97.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 50.7 Ų | 50.7 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 178 | -74.7 | 177 | 66.7 | -169.4 | -1.6 | 112.4 | T22 L23 V24 D29 I30 D180 L183 | T22-R26 WeakPolarHBondContact O-CB 3.22Å; T22-R26 WeakPolarHBondContact O-CG 3.27Å; T22-R26 PolarHBondContact O-N 3.32Å; T22-R26 VanDerWaalsContact O-N 3.12Å; L23-R26 PolarHBondContact O-N 3.04Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 3.05Å; R26-D29 PolarHBondContact O-N 2.82Å; R26-I30 WeakPolarHBondContact O-CG1 3.46Å; R26-I30 PolarHBondContact O-N 3.06Å; R26-D180 IonicContact CZ-OD1 3.84Å; R26-D180 IonicContact NH1-OD1 3.85Å; R26-D180 PolarHBondContact NH1-OD1 3.4Å; R26-D180 IonicContact NH2-OD1 2.74Å; R26-L183 HydrophobicContact CB-CD1 4.37Å; R26-L183 HydrophobicContact CB-CD2 3.89Å |
| 27 | L | 97.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.7 | -177.3 | 56.7 | 0 | 0 | 0 | 111 | L23 V24 C25 D29 I30 L31 I146 L183 V186 H187 | L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 PolarHBondContact O-N 3.34Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 3.11Å; V24-L27 VanDerWaalsContact O-N 3.16Å; C25-L27 VanDerWaalsContact C-N 3.3Å; C25-L27 PolarHBondContact O-N 3.26Å; L27-D29 VanDerWaalsContact C-N 3.26Å; L27-D29 PolarHBondContact O-N 3.12Å; L27-I30 PolarHBondContact O-N 2.88Å; L27-I30 VanDerWaalsContact O-N 3.15Å; L27-L31 HydrophobicContact CD1-CD1 4.13Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.12Å; L27-I146 HydrophobicContact CD2-CD1 3.67Å; L27-I146 HydrophobicContact CD2-CG2 4.32Å; L27-I146 HydrophobicContact CG-CD1 4.35Å; L27-L183 HydrophobicContact CB-CD1 3.65Å; L27-L183 HydrophobicContact CD1-CD1 4.18Å; L27-L183 HydrophobicContact CG-CD1 4.42Å; L27-V186 HydrophobicContact CD2-CB 4.29Å; L27-V186 HydrophobicContact CD2-CG1 3.4Å; L27-V186 VanDerWaalsContact CD2-CG1 3.4Å; L27-H187 HydrophobicContact CD1-CB 3.78Å |
| 28 | C | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -41.5 | 173.8 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | V24 C25 L31 R32 L38 | V24-C28 PolarHBondContact O-N 2.92Å; V24-C28 PolarHBondContact O-SG 3.34Å; C25-C28 WeakPolarHBondContact O-CB 3.22Å; C25-C28 PolarHBondContact O-N 3.17Å; C28-L31 PolarHBondContact O-N 3.39Å; C28-R32 VanDerWaalsContact O-CB 3.26Å; C28-R32 WeakPolarHBondContact O-CB 3.4Å; C28-R32 PolarHBondContact O-N 2.87Å; C28-L38 HydrophobicContact CB-CD1 3.75Å; C28-L38 WeakPolarHBondContact O-CD1 3.41Å |
| 29 | D | 96.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 178.2 | -66.7 | -22.4 | 0 | 0 | 0 | 113.2 | C25 R26 L27 R32 R33 | C25-D29 PolarHBondContact O-N 2.78Å; R26-D29 PolarHBondContact O-N 2.82Å; L27-D29 VanDerWaalsContact C-N 3.26Å; L27-D29 PolarHBondContact O-N 3.12Å; D29-R32 IonicContact OD1-CZ 3.68Å; D29-R32 IonicContact OD1-NH1 2.68Å; D29-R32 PolarHBondContact OD1-NH1 3.38Å; D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 3.13Å; D29-R33 PolarHBondContact O-NE 2.99Å |
| 30 | I | 96.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -54.3 | 172.5 | -67.3 | 162.8 | 0 | 0 | 0 | 109.8 | R26 L27 R32 R33 E34 L183 H187 | R26-I30 WeakPolarHBondContact O-CG1 3.46Å; R26-I30 PolarHBondContact O-N 3.06Å; L27-I30 PolarHBondContact O-N 2.88Å; L27-I30 VanDerWaalsContact O-N 3.15Å; I30-R32 VanDerWaalsContact C-N 3.29Å; I30-R32 PolarHBondContact O-N 2.94Å; I30-R33 WeakPolarHBondContact O-CB 3.27Å; I30-R33 PolarHBondContact O-N 2.97Å; I30-E34 WeakPolarHBondContact O-CG 3.47Å; I30-E34 PolarHBondContact O-N 3.4Å; I30-E34 VanDerWaalsContact O-N 3.11Å; I30-L183 HydrophobicContact CD1-CD1 4.29Å; I30-L183 HydrophobicContact CD1-CD2 4.11Å; I30-L183 HydrophobicContact CD1-CG 4.25Å; I30-H187 WeakPolarHBondContact CG2-NE2 3.38Å |
| 31 | L | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | -176.9 | -65 | 174.1 | 0 | 0 | 0 | 111.9 | L27 C28 R33 E34 S35 I36 L38 I146 V190 | L27-L31 HydrophobicContact CD1-CD1 4.13Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.12Å; C28-L31 PolarHBondContact O-N 3.39Å; L31-R33 PolarHBondContact O-N 3.48Å; L31-E34 CarbonylContact O-C 3.51Å; L31-E34 WeakPolarHBondContact O-CA 3.43Å; L31-E34 WeakPolarHBondContact O-CB 3.45Å; L31-E34 PolarHBondContact O-N 3.45Å; L31-E34 VanDerWaalsContact O-N 3.13Å; L31-S35 PolarHBondContact O-N 2.77Å; L31-I36 HydrophobicContact CB-CB 4.19Å; L31-I36 HydrophobicContact CB-CD1 4.45Å; L31-I36 HydrophobicContact CB-CG2 4.47Å; L31-I36 HydrophobicContact CD2-CD1 3.53Å; L31-I36 WeakPolarHBondContact O-CB 3.33Å; L31-I36 PolarHBondContact O-N 2.8Å; L31-L38 HydrophobicContact CB-CD1 4.29Å; L31-L38 HydrophobicContact CB-CD2 3.91Å; L31-L38 HydrophobicContact CB-CG 4.43Å; L31-L38 HydrophobicContact CD1-CD2 3.75Å; L31-L38 HydrophobicContact CG-CD2 4.49Å; L31-I146 HydrophobicContact CD1-CD1 4.14Å; L31-V190 HydrophobicContact CD1-CG1 4.23Å; L31-V190 HydrophobicContact CD2-CB 4.42Å; L31-V190 HydrophobicContact CD2-CG1 3.77Å |
| 32 | R | 93.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.4 | -167.9 | -176.3 | -56.8 | 102.4 | -1.7 | 112.5 | C28 D29 I30 E34 S35 V60 | C28-R32 VanDerWaalsContact O-CB 3.26Å; C28-R32 WeakPolarHBondContact O-CB 3.4Å; C28-R32 PolarHBondContact O-N 2.87Å; D29-R32 IonicContact OD1-CZ 3.68Å; D29-R32 IonicContact OD1-NH1 2.68Å; D29-R32 PolarHBondContact OD1-NH1 3.38Å; I30-R32 VanDerWaalsContact C-N 3.29Å; I30-R32 PolarHBondContact O-N 2.94Å; R32-E34 PolarHBondContact O-N 2.88Å; R32-S35 PolarHBondContact O-N 2.94Å; R32-S35 VanDerWaalsContact O-N 3.08Å; R32-V60 PolarHBondContact NH2-O 3.37Å |
| 33 | R | 94.9 | Very high | 95.5 | Very high | 196 Ų | 196 | 44.1 Ų | 44.1 | 74% | 0.74 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.9 | -23.7 | 175 | -74.9 | -176.8 | -64.3 | 178.3 | 4.8 | 112.7 | D29 I30 L31 | D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 3.13Å; D29-R33 PolarHBondContact O-NE 2.99Å; I30-R33 WeakPolarHBondContact O-CB 3.27Å; I30-R33 PolarHBondContact O-N 2.97Å; L31-R33 PolarHBondContact O-N 3.48Å |
| 34 | E | 94 | Very high | 95.4 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 10.2 | 172.5 | -63 | -179.4 | 151.3 | 0 | 0 | 112.7 | I30 L31 R32 I36 H187 R191 | I30-E34 WeakPolarHBondContact O-CG 3.47Å; I30-E34 PolarHBondContact O-N 3.4Å; I30-E34 VanDerWaalsContact O-N 3.11Å; L31-E34 CarbonylContact O-C 3.51Å; L31-E34 WeakPolarHBondContact O-CA 3.43Å; L31-E34 WeakPolarHBondContact O-CB 3.45Å; L31-E34 PolarHBondContact O-N 3.45Å; L31-E34 VanDerWaalsContact O-N 3.13Å; R32-E34 PolarHBondContact O-N 2.88Å; E34-I36 HydrophobicContact CB-CD1 3.86Å; E34-I36 HydrophobicContact CB-CG1 4.1Å; E34-I36 PolarHBondContact O-N 3.1Å; E34-I36 VanDerWaalsContact O-N 3.14Å; E34-I36 WeakPolarHBondContact OE2-CD1 3.48Å; E34-H187 IonicContact OE1-CE1 2.74Å; E34-H187 PolarHBondContact OE1-CE1 2.79Å; E34-H187 IonicContact OE1-NE2 2.83Å; E34-H187 PolarHBondContact OE1-NE2 3.18Å; E34-H187 IonicContact OE2-CD2 3.21Å; E34-H187 IonicContact OE2-CE1 3.44Å; E34-H187 IonicContact OE2-NE2 3.74Å; E34-H187 PolarHBondContact OE2-NE2 2.81Å; E34-R191 VanDerWaalsContact CD-NH1 3.28Å; E34-R191 IonicContact OE1-CZ 2.85Å; E34-R191 IonicContact OE1-NH1 3.87Å; E34-R191 PolarHBondContact OE1-NH1 3.23Å; E34-R191 IonicContact OE2-NH1 2.72Å |
| 35 | S | 92.2 | Very high | 95.3 | Very high | 88 Ų | 88 | 49 Ų | 49 | 62% | 0.615 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24.9 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 114.1 | L31 R32 P37 | L31-S35 PolarHBondContact O-N 2.77Å; R32-S35 PolarHBondContact O-N 2.94Å; R32-S35 VanDerWaalsContact O-N 3.08Å; S35-P37 WeakPolarHBondContact O-CD 3.22Å |
| 36 | I | 91.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | trans | -81.5 | 122.2 | 176.7 | -65.4 | 165 | 0 | 0 | 0 | 108.5 | L31 E34 L38 V114 I194 | L31-I36 HydrophobicContact CB-CB 4.19Å; L31-I36 HydrophobicContact CB-CD1 4.45Å; L31-I36 HydrophobicContact CB-CG2 4.47Å; L31-I36 HydrophobicContact CD2-CD1 3.53Å; L31-I36 WeakPolarHBondContact O-CB 3.33Å; L31-I36 PolarHBondContact O-N 2.8Å; E34-I36 HydrophobicContact CB-CD1 3.86Å; E34-I36 HydrophobicContact CB-CG1 4.1Å; E34-I36 PolarHBondContact O-N 3.1Å; E34-I36 VanDerWaalsContact O-N 3.14Å; E34-I36 WeakPolarHBondContact OE2-CD1 3.48Å; I36-L38 PolarHBondContact O-N 3.44Å; I36-V114 HydrophobicContact CG2-CG2 3.79Å; I36-I194 HydrophobicContact CB-CD1 4.46Å; I36-I194 HydrophobicContact CD1-CD1 3.58Å; I36-I194 HydrophobicContact CG1-CD1 3.95Å; I36-I194 HydrophobicContact CG2-CD1 3.67Å | ||
| 37 | P | 91.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 38% | 0.383 | 25% | 0.25 | S | C | . | . | trans | -62.6 | 131.3 | 177.3 | -21.7 | 33.6 | 0 | 0 | 0 | 111.3 | S35 A113 V114 | S35-P37 WeakPolarHBondContact O-CD 3.22Å; P37-A113 HydrophobicContact CB-CB 4.05Å; P37-A113 CarbonylContact O-C 3.37Å; P37-A113 VanDerWaalsContact O-CA 3.31Å; P37-A113 WeakPolarHBondContact O-CA 3.2Å; P37-V114 PolarHBondContact O-N 3.45Å | ||
| 38 | L | 93.5 | Very high | 95 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.3 | 177.9 | -61.2 | 178.6 | 0 | 0 | 0 | 110.3 | C28 L31 I36 V60 V114 | C28-L38 HydrophobicContact CB-CD1 3.75Å; C28-L38 WeakPolarHBondContact O-CD1 3.41Å; L31-L38 HydrophobicContact CB-CD1 4.29Å; L31-L38 HydrophobicContact CB-CD2 3.91Å; L31-L38 HydrophobicContact CB-CG 4.43Å; L31-L38 HydrophobicContact CD1-CD2 3.75Å; L31-L38 HydrophobicContact CG-CD2 4.49Å; I36-L38 PolarHBondContact O-N 3.44Å; L38-V60 HydrophobicContact CB-CB 4.2Å; L38-V60 HydrophobicContact CB-CG2 3.81Å; L38-V114 WeakPolarHBondContact CA-O 3.38Å; L38-V114 HydrophobicContact CD2-CB 3.93Å; L38-V114 HydrophobicContact CD2-CG1 4.49Å |
| 39 | R | 93 | Very high | 94.8 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 162.6 | 170 | -74.9 | -170.3 | 156.3 | -160.8 | -5.3 | 110.6 | G102 D103 S108 T110 A113 V114 F115 V116 | R39-G102 PolarHBondContact NH1-O 3.41Å; R39-D103 VanDerWaalsContact CD-OD2 3.32Å; R39-D103 WeakPolarHBondContact CD-OD2 3.43Å; R39-D103 IonicContact CZ-OD2 2.76Å; R39-D103 IonicContact NE-OD2 3.8Å; R39-D103 IonicContact NH1-OD1 2.63Å; R39-D103 PolarHBondContact NH1-OD1 2.98Å; R39-D103 IonicContact NH1-OD2 3.65Å; R39-D103 PolarHBondContact NH1-OD2 3.16Å; R39-S108 PolarHBondContact NH2-OG 3.4Å; R39-T110 PolarHBondContact NE-OG1 2.94Å; R39-T110 PolarHBondContact NH1-OG1 2.91Å; R39-T110 PolarHBondContact NH2-OG1 2.9Å; R39-A113 HydrophobicContact CB-CB 4.3Å; R39-A113 HydrophobicContact CG-CB 3.83Å; R39-V114 PolarHBondContact N-O 2.88Å; R39-F115 HydrophobicContact CB-CD1 4.14Å; R39-F115 HydrophobicContact CB-CD2 4.44Å; R39-F115 HydrophobicContact CB-CE1 3.98Å; R39-F115 HydrophobicContact CB-CE2 4.3Å; R39-F115 HydrophobicContact CB-CG 4.38Å; R39-F115 HydrophobicContact CB-CZ 4.07Å; R39-F115 CarbonylContact O-C 3.6Å; R39-F115 WeakPolarHBondContact O-CA 3.26Å; R39-V116 PolarHBondContact O-N 3.03Å |
| 40 | G | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 105 | -158.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T59 V60 V99 V116 | G40-T59 WeakPolarHBondContact O-CA 3.42Å; G40-V60 PolarHBondContact O-N 2.85Å; G40-V99 VanDerWaalsContact N-CG1 3.31Å; G40-V116 CarbonylContact C-O 3.59Å; G40-V116 WeakPolarHBondContact CA-O 3.33Å |
| 41 | F | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162 | -175.9 | 64.2 | -99.2 | 0 | 0 | 0 | 111.7 | I57 V58 F92 A96 V116 I117 D118 F130 | F41-I57 HydrophobicContact CB-CB 4.38Å; F41-I57 HydrophobicContact CD2-CB 3.79Å; F41-I57 HydrophobicContact CD2-CG2 3.55Å; F41-I57 HydrophobicContact CE2-CB 4.35Å; F41-I57 HydrophobicContact CE2-CG2 3.64Å; F41-I57 HydrophobicContact CG-CB 4.17Å; F41-I57 HydrophobicContact CG-CD1 4.43Å; F41-I57 HydrophobicContact CG-CG2 4.36Å; F41-I57 HydrophobicContact CZ-CG2 4.48Å; F41-V58 CarbonylContact C-O 3.51Å; F41-V58 WeakPolarHBondContact CA-O 3.34Å; F41-V58 VanDerWaalsContact CB-O 3.24Å; F41-V58 WeakPolarHBondContact CB-O 3.38Å; F41-F92 HydrophobicContact CZ-CE2 4.22Å; F41-A96 HydrophobicContact CE1-CB 4.04Å; F41-V116 PolarHBondContact N-O 2.84Å; F41-V116 CarbonylContact O-C 3.58Å; F41-V116 VanDerWaalsContact O-O 3.11Å; F41-I117 HydrophobicContact CZ-CG2 4.06Å; F41-D118 PolarHBondContact O-N 2.93Å; F41-D118 VanDerWaalsContact O-N 3.15Å; F41-F130 AromaticContact CE1-CE2 3.82Å; F41-F130 HydrophobicContact CE1-CE2 3.82Å; F41-F130 HydrophobicContact CZ-CD2 4.5Å; F41-F130 AromaticContact CZ-CE2 3.54Å; F41-F130 HydrophobicContact CZ-CE2 3.54Å; F41-F130 AromaticContact CZ-CZ 3.97Å; F41-F130 HydrophobicContact CZ-CZ 3.97Å |
| 42 | Y | 98.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 159.1 | 167.3 | 59.5 | -89.3 | 0 | 0 | 0 | 111.2 | T21 T44 I57 V58 D118 | T21-Y42 HydrophobicContact CG2-CD2 4.36Å; Y42-T44 HydrophobicContact CD2-CG2 3.73Å; Y42-T44 HydrophobicContact CE2-CG2 3.5Å; Y42-I57 CarbonylContact O-C 3.53Å; Y42-I57 WeakPolarHBondContact O-CA 3.11Å; Y42-V58 HydrophobicContact CD2-CB 4.32Å; Y42-V58 HydrophobicContact CE1-CB 4.15Å; Y42-V58 HydrophobicContact CE1-CG1 4.25Å; Y42-V58 HydrophobicContact CE2-CB 3.79Å; Y42-V58 HydrophobicContact CE2-CG1 4.3Å; Y42-V58 HydrophobicContact CE2-CG2 4.08Å; Y42-V58 PolarHBondContact N-O 3.05Å; Y42-V58 PolarHBondContact O-N 3.48Å; Y42-V58 WeakPolarHBondContact OH-CG1 3.24Å; Y42-D118 CarbonylContact C-O 3.56Å; Y42-D118 WeakPolarHBondContact CA-O 3.38Å |
| 43 | T | 96.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128 | -175.3 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | T21 F55 E56 L68 D118 | T21-T43 WeakPolarHBondContact CG2-O 3.47Å; T21-T43 PolarHBondContact OG1-O 2.91Å; T43-F55 HydrophobicContact CG2-CB 4.1Å; T43-F55 HydrophobicContact CG2-CD1 4.13Å; T43-E56 CarbonylContact C-O 3.58Å; T43-E56 WeakPolarHBondContact CA-O 3.47Å; T43-L68 HydrophobicContact CG2-CD2 4.35Å; T43-D118 VanDerWaalsContact CB-O 3.32Å; T43-D118 WeakPolarHBondContact CB-O 3.45Å; T43-D118 PolarHBondContact N-O 2.89Å; T43-D118 PolarHBondContact N-OD2 3.39Å; T43-D118 VanDerWaalsContact N-OD2 3.14Å; T43-D118 PolarHBondContact OG1-O 2.72Å |
| 44 | T | 96.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.6 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 111 | Y42 F55 E56 V58 | Y42-T44 HydrophobicContact CD2-CG2 3.73Å; Y42-T44 HydrophobicContact CE2-CG2 3.5Å; T44-F55 WeakPolarHBondContact O-CA 3.37Å; T44-E56 PolarHBondContact N-O 2.78Å; T44-E56 PolarHBondContact O-N 3.48Å; T44-V58 HydrophobicContact CG2-CG2 3.83Å |
| 45 | E | 95.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.3 | 174.8 | -61.9 | -170.7 | 149.8 | 0 | 0 | 110.6 | R47 R52 F55 | E45-R47 HydrophobicContact CB-CG 4.44Å; E45-R47 IonicContact OE2-CZ 3.16Å; E45-R47 IonicContact OE2-NE 2.84Å; E45-R47 PolarHBondContact OE2-NE 3.35Å; E45-R47 IonicContact OE2-NH2 2.67Å; E45-R47 PolarHBondContact OE2-NH2 3.23Å; E45-R52 HydrophobicContact CB-CG 4.29Å; E45-R52 VanDerWaalsContact CD-CD 3.46Å; E45-R52 WeakPolarHBondContact OE1-CD 3.49Å; E45-R52 IonicContact OE1-CZ 3.58Å; E45-R52 IonicContact OE1-NE 3.75Å; E45-R52 IonicContact OE1-NH1 2.79Å; E45-R52 PolarHBondContact OE1-NH1 3.28Å; E45-F55 HydrophobicContact CG-CD1 4.35Å; E45-F55 HydrophobicContact CG-CE1 4.18Å |
| 46 | V | 96.1 | Very high | 95.1 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.2 | 166 | -171.6 | 0 | 0 | 0 | 0 | 108 | R52 T53 G54 E56 | V46-R52 CarbonylContact O-C 3.55Å; V46-R52 WeakPolarHBondContact O-CA 3.17Å; V46-T53 PolarHBondContact O-N 2.75Å; V46-T53 PolarHBondContact O-OG1 3.49Å; V46-G54 PolarHBondContact N-O 3.42Å; V46-G54 PolarHBondContact O-N 3.24Å; V46-G54 VanDerWaalsContact O-N 3.12Å; V46-E56 HydrophobicContact CG2-CB 4.38Å; V46-E56 HydrophobicContact CG2-CG 3.63Å |
| 47 | R | 95.6 | Very high | 95.4 | Very high | 167 Ų | 167 | 55.6 Ų | 55.6 | 63% | 0.63 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | -178.8 | -69.2 | 176.1 | 168.2 | -105.2 | -0.2 | 109.8 | E45 G51 R52 | E45-R47 HydrophobicContact CB-CG 4.44Å; E45-R47 IonicContact OE2-CZ 3.16Å; E45-R47 IonicContact OE2-NE 2.84Å; E45-R47 PolarHBondContact OE2-NE 3.35Å; E45-R47 IonicContact OE2-NH2 2.67Å; E45-R47 PolarHBondContact OE2-NH2 3.23Å; R47-G51 WeakPolarHBondContact CA-O 3.32Å; R47-R52 HydrophobicContact CG-CB 4.42Å |
| 48 | G | 92.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -171.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y50 G51 | G48-Y50 PolarHBondContact O-N 2.9Å; G48-G51 PolarHBondContact N-O 3.22Å; G48-G51 PolarHBondContact O-N 2.98Å |
| 49 | N | 91.9 | Very high | 95.9 | Very high | 157 Ų | 157 | 51.7 Ų | 51.7 | 84% | 0.84 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -32.1 | -176.5 | -61.1 | -4.4 | 0 | 0 | 0 | 113.7 | ||
| 50 | Y | 90.3 | Very high | 96.1 | Very high | 232 Ų | 232 | 49.7 Ų | 49.7 | 91% | 0.91 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 20.1 | -176 | -50.5 | -68.8 | 0 | 0 | 0 | 113.6 | G48 | G48-Y50 PolarHBondContact O-N 2.9Š|
| 51 | G | 93.5 | Very high | 95.9 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105 | -157.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R47 G48 T53 | R47-G51 WeakPolarHBondContact CA-O 3.32Å; G48-G51 PolarHBondContact N-O 3.22Å; G48-G51 PolarHBondContact O-N 2.98Å; G51-T53 PolarHBondContact O-N 3.32Å |
| 52 | R | 95.5 | Very high | 95.7 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 115.5 | -171.9 | -171.4 | 173.6 | 66 | -163.5 | 3.4 | 112.2 | E45 V46 R47 F55 K84 Y85 | E45-R52 HydrophobicContact CB-CG 4.29Å; E45-R52 VanDerWaalsContact CD-CD 3.46Å; E45-R52 WeakPolarHBondContact OE1-CD 3.49Å; E45-R52 IonicContact OE1-CZ 3.58Å; E45-R52 IonicContact OE1-NE 3.75Å; E45-R52 IonicContact OE1-NH1 2.79Å; E45-R52 PolarHBondContact OE1-NH1 3.28Å; V46-R52 CarbonylContact O-C 3.55Å; V46-R52 WeakPolarHBondContact O-CA 3.17Å; R47-R52 HydrophobicContact CG-CB 4.42Å; R52-F55 HydrophobicContact CG-CZ 4.49Å; R52-K84 PolarHBondContact O-NZ 2.76Å; R52-Y85 PolarHBondContact NE-OH 3.31Å; R52-Y85 PolarHBondContact O-OH 2.83Å; R52-Y85 VanDerWaalsContact O-OH 3.06Å |
| 53 | T | 97.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -16.2 | -178.9 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | V46 G51 V71 | V46-T53 PolarHBondContact O-N 2.75Å; V46-T53 PolarHBondContact O-OG1 3.49Å; G51-T53 PolarHBondContact O-N 3.32Å; T53-V71 HydrophobicContact CG2-CG2 4.31Å; T53-V71 WeakPolarHBondContact O-CG2 3.23Å; T53-V71 PolarHBondContact O-N 3.11Å |
| 54 | G | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -166.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V46 A69 | V46-G54 PolarHBondContact N-O 3.42Å; V46-G54 PolarHBondContact O-N 3.24Å; V46-G54 VanDerWaalsContact O-N 3.12Å; G54-A69 CarbonylContact C-O 3.54Å; G54-A69 WeakPolarHBondContact CA-O 3.09Å |
| 55 | F | 98 | Very high | 95.6 | Very high | 25 Ų | 25 | 68 Ų | 68 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 140.6 | 178.5 | -58.4 | -91.2 | 0 | 0 | 0 | 109.5 | T43 T44 E45 R52 L68 A69 Y85 M123 | T43-F55 HydrophobicContact CG2-CB 4.1Å; T43-F55 HydrophobicContact CG2-CD1 4.13Å; T44-F55 WeakPolarHBondContact O-CA 3.37Å; E45-F55 HydrophobicContact CG-CD1 4.35Å; E45-F55 HydrophobicContact CG-CE1 4.18Å; R52-F55 HydrophobicContact CG-CZ 4.49Å; F55-L68 HydrophobicContact CB-CB 4.17Å; F55-L68 HydrophobicContact CB-CD2 4.22Å; F55-L68 PolarHBondContact O-N 3.24Å; F55-A69 HydrophobicContact CD2-CB 4.3Å; F55-A69 PolarHBondContact N-O 3.14Å; F55-A69 PolarHBondContact O-N 3.03Å; F55-Y85 HydrophobicContact CD2-CD1 4.36Å; F55-Y85 HydrophobicContact CD2-CE1 4.46Å; F55-Y85 HydrophobicContact CE2-CD1 4.07Å; F55-Y85 HydrophobicContact CE2-CD2 4.02Å; F55-Y85 AromaticContact CE2-CE1 3.93Å; F55-Y85 HydrophobicContact CE2-CE1 3.93Å; F55-Y85 AromaticContact CE2-CE2 3.88Å; F55-Y85 HydrophobicContact CE2-CE2 3.88Å; F55-Y85 HydrophobicContact CE2-CG 4.11Å; F55-Y85 AromaticContact CE2-CZ 3.83Å; F55-Y85 HydrophobicContact CZ-CE2 4.46Å; F55-M123 HydrophobicContact CD2-CE 4.07Å; F55-M123 HydrophobicContact CD2-SD 3.69Å; F55-M123 HydrophobicContact CE2-CE 3.59Å; F55-M123 HydrophobicContact CE2-SD 3.82Å; F55-M123 HydrophobicContact CG-SD 4.39Å; F55-M123 HydrophobicContact CZ-CE 4.28Å |
| 56 | E | 98.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.9 | 173.5 | -75.9 | 174.4 | -175.8 | 0 | 0 | 109.7 | T43 T44 V46 R65 A66 | T43-E56 CarbonylContact C-O 3.58Å; T43-E56 WeakPolarHBondContact CA-O 3.47Å; T44-E56 PolarHBondContact N-O 2.78Å; T44-E56 PolarHBondContact O-N 3.48Å; V46-E56 HydrophobicContact CG2-CB 4.38Å; V46-E56 HydrophobicContact CG2-CG 3.63Å; E56-R65 IonicContact OE2-NH1 2.99Å; E56-R65 PolarHBondContact OE2-NH1 2.82Å; E56-A66 CarbonylContact C-O 3.46Å; E56-A66 VanDerWaalsContact CA-O 3.23Å; E56-A66 WeakPolarHBondContact CA-O 3.13Å |
| 57 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.1 | 161.7 | 56.9 | 161.1 | 0 | 0 | 0 | 109.7 | F41 Y42 R65 A66 L68 F92 L95 A96 | F41-I57 HydrophobicContact CB-CB 4.38Å; F41-I57 HydrophobicContact CD2-CB 3.79Å; F41-I57 HydrophobicContact CD2-CG2 3.55Å; F41-I57 HydrophobicContact CE2-CB 4.35Å; F41-I57 HydrophobicContact CE2-CG2 3.64Å; F41-I57 HydrophobicContact CG-CB 4.17Å; F41-I57 HydrophobicContact CG-CD1 4.43Å; F41-I57 HydrophobicContact CG-CG2 4.36Å; F41-I57 HydrophobicContact CZ-CG2 4.48Å; Y42-I57 CarbonylContact O-C 3.53Å; Y42-I57 WeakPolarHBondContact O-CA 3.11Å; I57-R65 VanDerWaalsContact O-CA 3.27Å; I57-R65 WeakPolarHBondContact O-CA 3.23Å; I57-A66 HydrophobicContact CD1-CB 4.34Å; I57-A66 HydrophobicContact CG1-CB 3.96Å; I57-A66 PolarHBondContact N-O 2.96Å; I57-A66 PolarHBondContact O-N 3.15Å; I57-L68 HydrophobicContact CG2-CB 4.49Å; I57-F92 HydrophobicContact CD1-CD2 3.69Å; I57-F92 HydrophobicContact CD1-CE2 3.93Å; I57-F92 HydrophobicContact CG1-CD2 4.19Å; I57-F92 HydrophobicContact CG2-CD2 4.18Å; I57-F92 HydrophobicContact CG2-CE2 4.01Å; I57-L95 HydrophobicContact CD1-CB 4.03Å; I57-L95 HydrophobicContact CD1-CD2 3.83Å; I57-L95 HydrophobicContact CD1-CG 3.88Å; I57-L95 HydrophobicContact CG1-CD2 4Å; I57-A96 HydrophobicContact CD1-CB 4.08Å |
| 58 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.3 | 178 | -170.6 | 0 | 0 | 0 | 0 | 108 | F41 Y42 T44 R64 R65 | F41-V58 CarbonylContact C-O 3.51Å; F41-V58 WeakPolarHBondContact CA-O 3.34Å; F41-V58 VanDerWaalsContact CB-O 3.24Å; F41-V58 WeakPolarHBondContact CB-O 3.38Å; Y42-V58 HydrophobicContact CD2-CB 4.32Å; Y42-V58 HydrophobicContact CE1-CB 4.15Å; Y42-V58 HydrophobicContact CE1-CG1 4.25Å; Y42-V58 HydrophobicContact CE2-CB 3.79Å; Y42-V58 HydrophobicContact CE2-CG1 4.3Å; Y42-V58 HydrophobicContact CE2-CG2 4.08Å; Y42-V58 PolarHBondContact N-O 3.05Å; Y42-V58 PolarHBondContact O-N 3.48Å; Y42-V58 WeakPolarHBondContact OH-CG1 3.24Å; T44-V58 HydrophobicContact CG2-CG2 3.83Å; V58-R64 WeakPolarHBondContact CA-O 3.25Å; V58-R65 HydrophobicContact CB-CG 4.45Å; V58-R65 HydrophobicContact CG1-CG 4.09Å; V58-R65 HydrophobicContact CG2-CG 4.08Å |
| 59 | T | 97.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 149.8 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | G40 D61 G62 S63 R64 L95 V99 | G40-T59 WeakPolarHBondContact O-CA 3.42Å; T59-D61 WeakPolarHBondContact CB-OD1 3.49Å; T59-D61 PolarHBondContact O-N 3.32Å; T59-D61 VanDerWaalsContact O-N 3.13Å; T59-D61 PolarHBondContact OG1-OD1 3.27Å; T59-G62 WeakPolarHBondContact O-CA 3.47Å; T59-G62 PolarHBondContact O-N 3.21Å; T59-S63 PolarHBondContact OG1-N 3.25Å; T59-R64 HydrophobicContact CG2-CB 3.92Å; T59-R64 PolarHBondContact N-O 3.46Å; T59-R64 PolarHBondContact OG1-N 3.18Å; T59-R64 PolarHBondContact OG1-O 3.04Å; T59-L95 HydrophobicContact CG2-CD1 3.77Å; T59-L95 HydrophobicContact CG2-CD2 4.46Å; T59-L95 HydrophobicContact CG2-CG 4.41Å; T59-V99 HydrophobicContact CG2-CG2 3.77Å |
| 60 | V | 95.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.6 | -177.9 | -70.5 | 0 | 0 | 0 | 0 | 114 | R32 L38 G40 G62 V116 | R32-V60 PolarHBondContact NH2-O 3.37Å; L38-V60 HydrophobicContact CB-CB 4.2Å; L38-V60 HydrophobicContact CB-CG2 3.81Å; G40-V60 PolarHBondContact O-N 2.85Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-V116 HydrophobicContact CG1-CB 3.71Å; V60-V116 HydrophobicContact CG1-CG1 4.22Å; V60-V116 HydrophobicContact CG1-CG2 3.93Å |
| 61 | D | 91.8 | Very high | 96.9 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -7.9 | 172 | 68.2 | -9.1 | 0 | 0 | 0 | 113.1 | T59 S63 | T59-D61 WeakPolarHBondContact CB-OD1 3.49Å; T59-D61 PolarHBondContact O-N 3.32Å; T59-D61 VanDerWaalsContact O-N 3.13Å; T59-D61 PolarHBondContact OG1-OD1 3.27Å; D61-S63 PolarHBondContact O-N 3.32Å; D61-S63 PolarHBondContact OD1-N 2.89Å; D61-S63 PolarHBondContact OD1-OG 3.39Å; D61-S63 WeakPolarHBondContact OD2-CB 3.15Å; D61-S63 PolarHBondContact OD2-OG 2.74Å |
| 62 | G | 93.9 | Very high | 97 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 76.5 | 1.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T59 V60 | T59-G62 WeakPolarHBondContact O-CA 3.47Å; T59-G62 PolarHBondContact O-N 3.21Å; V60-G62 VanDerWaalsContact C-N 3.33Å |
| 63 | S | 95.2 | Very high | 97 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 56% | 0.559 | 24% | 0.238 | S | C | * | . | trans | -76.5 | -28.5 | -169.4 | 68.2 | 0 | 0 | 0 | 0 | 114 | T59 D61 | T59-S63 PolarHBondContact OG1-N 3.25Å; D61-S63 PolarHBondContact O-N 3.32Å; D61-S63 PolarHBondContact OD1-N 2.89Å; D61-S63 PolarHBondContact OD1-OG 3.39Å; D61-S63 WeakPolarHBondContact OD2-CB 3.15Å; D61-S63 PolarHBondContact OD2-OG 2.74Å | ||
| 64 | R | 97.5 | Very high | 96.9 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | trans | -132.6 | 147.4 | -174.5 | -66.8 | 175.2 | 65.9 | -159.9 | 0.5 | 111.9 | V58 T59 L95 D98 | V58-R64 WeakPolarHBondContact CA-O 3.25Å; T59-R64 HydrophobicContact CG2-CB 3.92Å; T59-R64 PolarHBondContact N-O 3.46Å; T59-R64 PolarHBondContact OG1-N 3.18Å; T59-R64 PolarHBondContact OG1-O 3.04Å; R64-L95 HydrophobicContact CB-CD1 3.75Å; R64-L95 HydrophobicContact CB-CD2 4.22Å; R64-D98 IonicContact CZ-OD2 3.71Å; R64-D98 IonicContact NH1-OD2 3.94Å; R64-D98 PolarHBondContact NH1-OD2 3.42Å; R64-D98 IonicContact NH2-OD2 2.72Å | ||
| 65 | R | 98.2 | Very high | 96.7 | Very high | 145 Ų | 145 | 52.1 Ų | 52.1 | 55% | 0.547 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.2 | 179.6 | -63.2 | -175.3 | 167.3 | -117.5 | -2.9 | 110.9 | E56 I57 V58 | E56-R65 IonicContact OE2-NH1 2.99Å; E56-R65 PolarHBondContact OE2-NH1 2.82Å; I57-R65 VanDerWaalsContact O-CA 3.27Å; I57-R65 WeakPolarHBondContact O-CA 3.23Å; V58-R65 HydrophobicContact CB-CG 4.45Å; V58-R65 HydrophobicContact CG1-CG 4.09Å; V58-R65 HydrophobicContact CG2-CG 4.08Å |
| 66 | A | 98.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 144.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E56 I57 L68 Q91 L95 | E56-A66 CarbonylContact C-O 3.46Å; E56-A66 VanDerWaalsContact CA-O 3.23Å; E56-A66 WeakPolarHBondContact CA-O 3.13Å; I57-A66 HydrophobicContact CD1-CB 4.34Å; I57-A66 HydrophobicContact CG1-CB 3.96Å; I57-A66 PolarHBondContact N-O 2.96Å; I57-A66 PolarHBondContact O-N 3.15Å; A66-L68 PolarHBondContact O-N 2.96Å; A66-Q91 VanDerWaalsContact CB-O 3.26Å; A66-Q91 WeakPolarHBondContact CB-O 3.29Å; A66-L95 HydrophobicContact CB-CB 3.93Å; A66-L95 HydrophobicContact CB-CD2 3.68Å; A66-L95 HydrophobicContact CB-CG 4.45Å |
| 67 | T | 98.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 54 Ų | 54 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.1 | 172.9 | -49.6 | 0 | 0 | 0 | 0 | 109.5 | T70 M88 Q91 | T67-T70 HydrophobicContact CG2-CG2 4.44Å; T67-M88 HydrophobicContact CG2-CB 4.29Å; T67-M88 HydrophobicContact CG2-CG 3.81Å; T67-Q91 WeakPolarHBondContact O-CB 3.42Å; T67-Q91 PolarHBondContact OG1-OE1 2.83Å |
| 68 | L | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -50.6 | 169 | 171.1 | 60.1 | 0 | 0 | 0 | 110.3 | T43 F55 I57 A66 V87 M88 F92 M123 E124 | T43-L68 HydrophobicContact CG2-CD2 4.35Å; F55-L68 HydrophobicContact CB-CB 4.17Å; F55-L68 HydrophobicContact CB-CD2 4.22Å; F55-L68 PolarHBondContact O-N 3.24Å; I57-L68 HydrophobicContact CG2-CB 4.49Å; A66-L68 PolarHBondContact O-N 2.96Å; L68-V87 HydrophobicContact CD1-CG1 4.45Å; L68-V87 CarbonylContact O-C 3.41Å; L68-V87 WeakPolarHBondContact O-CA 3.4Å; L68-M88 PolarHBondContact O-N 2.97Å; L68-F92 HydrophobicContact CD1-CB 4.28Å; L68-F92 HydrophobicContact CD1-CD1 4.23Å; L68-F92 HydrophobicContact CD1-CD2 3.66Å; L68-F92 HydrophobicContact CD1-CE2 3.99Å; L68-F92 HydrophobicContact CD1-CG 3.79Å; L68-F92 HydrophobicContact CD1-CZ 4.4Å; L68-M123 HydrophobicContact CD1-CB 4.27Å; L68-M123 HydrophobicContact CD2-CB 4.09Å; L68-M123 HydrophobicContact CG-CB 4.22Å; L68-E124 HydrophobicContact CD1-CG 4.13Å; L68-E124 HydrophobicContact CD2-CG 3.88Å; L68-E124 VanDerWaalsContact CD2-OE1 3.22Å; L68-E124 WeakPolarHBondContact CD2-OE1 3.15Å |
| 69 | A | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G54 F55 S86 V87 M123 | G54-A69 CarbonylContact C-O 3.54Å; G54-A69 WeakPolarHBondContact CA-O 3.09Å; F55-A69 HydrophobicContact CD2-CB 4.3Å; F55-A69 PolarHBondContact N-O 3.14Å; F55-A69 PolarHBondContact O-N 3.03Å; A69-S86 CarbonylContact C-O 3.49Å; A69-S86 WeakPolarHBondContact CA-O 3.4Å; A69-S86 WeakPolarHBondContact CB-O 3.37Å; A69-V87 HydrophobicContact CB-CG2 4.46Å; A69-M123 HydrophobicContact CB-SD 3.76Å |
| 70 | T | 98.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152 | -177.1 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | T67 K72 P73 S86 M88 | T67-T70 HydrophobicContact CG2-CG2 4.44Å; T70-K72 VanDerWaalsContact C-N 3.3Å; T70-K72 PolarHBondContact OG1-N 3.3Å; T70-P73 HydrophobicContact CG2-CB 4.23Å; T70-S86 PolarHBondContact N-O 3.2Å; T70-S86 PolarHBondContact O-N 3.47Å; T70-M88 HydrophobicContact CG2-CG 3.92Å; T70-M88 HydrophobicContact CG2-SD 3.9Å |
| 71 | V | 97.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -82.9 | -8 | 169.8 | -56.3 | 0 | 0 | 0 | 0 | 113 | T53 K84 Y85 | T53-V71 HydrophobicContact CG2-CG2 4.31Å; T53-V71 WeakPolarHBondContact O-CG2 3.23Å; T53-V71 PolarHBondContact O-N 3.11Å; V71-K84 HydrophobicContact CG1-CD 3.91Å; V71-K84 HydrophobicContact CG1-CG 3.94Å; V71-Y85 HydrophobicContact CG1-CD1 3.49Å; V71-Y85 VanDerWaalsContact CG1-CD1 3.49Å; V71-Y85 HydrophobicContact CG1-CE1 3.48Å; V71-Y85 VanDerWaalsContact CG1-CE1 3.48Å; V71-Y85 HydrophobicContact CG1-CG 4.36Å |
| 72 | K | 95.6 | Very high | 95.4 | Very high | 175 Ų | 175 | 65.1 Ų | 65.1 | 76% | 0.761 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -127.1 | 70.3 | 178 | -64.4 | -175.7 | -179 | -176 | 0 | 109.2 | T70 | T70-K72 VanDerWaalsContact C-N 3.3Å; T70-K72 PolarHBondContact OG1-N 3.3Å |
| 73 | P | 96.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 150.8 | 177.3 | 30.1 | -36.4 | 0 | 0 | 0 | 110.6 | T70 Y79 M88 | T70-P73 HydrophobicContact CG2-CB 4.23Å; P73-Y79 HydrophobicContact CB-CD2 3.6Å; P73-Y79 HydrophobicContact CB-CE2 3.65Å; P73-Y79 HydrophobicContact CB-CG 4.46Å; P73-Y79 HydrophobicContact CG-CD2 4.12Å; P73-Y79 HydrophobicContact CG-CE2 4.35Å; P73-M88 HydrophobicContact CB-SD 3.99Å |
| 74 | P | 95.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 69.2 Ų | 69.2 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 167.3 | 171.1 | 29.4 | -34.3 | 0 | 0 | 0 | 111.3 | Y79 M88 | P74-Y79 VanDerWaalsContact O-CE2 3.24Å; P74-Y79 WeakPolarHBondContact O-CE2 3.48Å; P74-Y79 PolarHBondContact O-OH 3.47Å; P74-Y79 VanDerWaalsContact O-OH 3.12Å; P74-M88 VanDerWaalsContact CD-CE 3.46Å; P74-M88 HydrophobicContact CG-CE 3.71Å |
| 75 | P | 93.7 | Very high | 95.5 | Very high | 132 Ų | 132 | 65 Ų | 65 | 86% | 0.857 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -58.9 | 153.2 | 165.8 | -20.8 | 33.2 | 0 | 0 | 0 | 111.7 | Y79 | P75-Y79 PolarHBondContact O-OH 3.37Å; P75-Y79 VanDerWaalsContact O-OH 3.13Å |
| 76 | G | 89.1 | Confident | 95.5 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 71% | 0.711 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 109.4 | 18.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y79 | G76-Y79 VanDerWaalsContact C-OH 3.27Š|
| 77 | G | 84.4 | Confident | 95.5 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 37% | 0.366 | S | S | . | . | trans | -66.3 | -176.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y79 | G77-Y79 VanDerWaalsContact CA-CE2 3.47Å; G77-Y79 PolarHBondContact N-OH 3.18Å | ||
| 78 | P | 91.9 | Very high | 95.5 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 88% | 0.883 | 36% | 0.356 | S | S | * | . | cis | -75.9 | 145.4 | 13.1 | 30.3 | -35.7 | 0 | 0 | 0 | 113.5 | ||||
| 79 | Y | 96.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | trans | -107.3 | 144.4 | 171.2 | -55.6 | -73 | 0 | 0 | 0 | 109.8 | P73 P74 P75 G76 G77 N81 M88 | P73-Y79 HydrophobicContact CB-CD2 3.6Å; P73-Y79 HydrophobicContact CB-CE2 3.65Å; P73-Y79 HydrophobicContact CB-CG 4.46Å; P73-Y79 HydrophobicContact CG-CD2 4.12Å; P73-Y79 HydrophobicContact CG-CE2 4.35Å; P74-Y79 VanDerWaalsContact O-CE2 3.24Å; P74-Y79 WeakPolarHBondContact O-CE2 3.48Å; P74-Y79 PolarHBondContact O-OH 3.47Å; P74-Y79 VanDerWaalsContact O-OH 3.12Å; P75-Y79 PolarHBondContact O-OH 3.37Å; P75-Y79 VanDerWaalsContact O-OH 3.13Å; G76-Y79 VanDerWaalsContact C-OH 3.27Å; G77-Y79 VanDerWaalsContact CA-CE2 3.47Å; G77-Y79 PolarHBondContact N-OH 3.18Å; Y79-N81 PolarHBondContact O-ND2 3.25Å; Y79-M88 HydrophobicContact CD1-CE 4.02Å; Y79-M88 HydrophobicContact CD1-SD 4.25Å; Y79-M88 HydrophobicContact CE1-CE 3.66Å; Y79-M88 HydrophobicContact CE1-SD 4.43Å; Y79-M88 HydrophobicContact CG-SD 4.42Å | ||
| 80 | P | 97 | Very high | 95.4 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | trans | -58.1 | 140.9 | 169.3 | -21.8 | 32.9 | 0 | 0 | 0 | 110.8 | S86 V87 L89 T126 | P80-S86 WeakPolarHBondContact O-CA 3.22Å; P80-V87 HydrophobicContact CB-CB 4.43Å; P80-V87 PolarHBondContact O-N 3.44Å; P80-L89 HydrophobicContact CG-CD1 4.05Å; P80-T126 HydrophobicContact CB-CG2 3.42Å; P80-T126 VanDerWaalsContact CB-CG2 3.42Å; P80-T126 HydrophobicContact CG-CG2 3.73Å | ||
| 81 | N | 96.6 | Very high | 95.3 | Very high | 103 Ų | 103 | 65.6 Ų | 65.6 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.5 | -178.2 | -67.4 | -64.5 | 0 | 0 | 0 | 112.2 | Y79 Y85 S86 | Y79-N81 PolarHBondContact O-ND2 3.25Å; N81-Y85 WeakPolarHBondContact CA-O 3.3Å; N81-S86 WeakPolarHBondContact OD1-CA 3.41Å; N81-S86 PolarHBondContact OD1-OG 3.15Å |
| 82 | V | 95 | Very high | 95.4 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 13% | 0.127 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 98.5 | 169.1 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | K84 Y85 V87 K122 M123 | V82-K84 PolarHBondContact O-N 2.75Å; V82-Y85 PolarHBondContact N-O 3.08Å; V82-Y85 PolarHBondContact O-N 2.88Å; V82-V87 HydrophobicContact CG2-CG2 3.97Å; V82-K122 HydrophobicContact CG1-CB 4.46Å; V82-K122 HydrophobicContact CG1-CD 3.83Å; V82-K122 HydrophobicContact CG1-CG 4.02Å; V82-K122 HydrophobicContact CG2-CD 4.46Å; V82-K122 HydrophobicContact CG2-CG 4.05Å; V82-M123 HydrophobicContact CB-CE 4.01Å; V82-M123 HydrophobicContact CB-CG 3.92Å; V82-M123 HydrophobicContact CG1-CE 3.86Å; V82-M123 HydrophobicContact CG1-CG 3.97Å; V82-M123 HydrophobicContact CG2-CG 4Å |
| 83 | G | 94.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -128 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y85 | G83-Y85 VanDerWaalsContact C-N 3.31Š|
| 84 | K | 95.5 | Very high | 95.5 | Very high | 133 Ų | 133 | 58.7 Ų | 58.7 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.4 | 177.7 | 68 | 172.7 | -173.2 | 174.4 | 0 | 114.8 | R52 V71 V82 | R52-K84 PolarHBondContact O-NZ 2.76Å; V71-K84 HydrophobicContact CG1-CD 3.91Å; V71-K84 HydrophobicContact CG1-CG 3.94Å; V82-K84 PolarHBondContact O-N 2.75Å |
| 85 | Y | 97.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 6% | 0.059 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | -173.2 | -57.9 | -81.6 | 0 | 0 | 0 | 110.4 | R52 F55 V71 N81 V82 G83 M123 | R52-Y85 PolarHBondContact NE-OH 3.31Å; R52-Y85 PolarHBondContact O-OH 2.83Å; R52-Y85 VanDerWaalsContact O-OH 3.06Å; F55-Y85 HydrophobicContact CD2-CD1 4.36Å; F55-Y85 HydrophobicContact CD2-CE1 4.46Å; F55-Y85 HydrophobicContact CE2-CD1 4.07Å; F55-Y85 HydrophobicContact CE2-CD2 4.02Å; F55-Y85 AromaticContact CE2-CE1 3.93Å; F55-Y85 HydrophobicContact CE2-CE1 3.93Å; F55-Y85 AromaticContact CE2-CE2 3.88Å; F55-Y85 HydrophobicContact CE2-CE2 3.88Å; F55-Y85 HydrophobicContact CE2-CG 4.11Å; F55-Y85 AromaticContact CE2-CZ 3.83Å; F55-Y85 HydrophobicContact CZ-CE2 4.46Å; V71-Y85 HydrophobicContact CG1-CD1 3.49Å; V71-Y85 VanDerWaalsContact CG1-CD1 3.49Å; V71-Y85 HydrophobicContact CG1-CE1 3.48Å; V71-Y85 VanDerWaalsContact CG1-CE1 3.48Å; V71-Y85 HydrophobicContact CG1-CG 4.36Å; N81-Y85 WeakPolarHBondContact CA-O 3.3Å; V82-Y85 PolarHBondContact N-O 3.08Å; V82-Y85 PolarHBondContact O-N 2.88Å; G83-Y85 VanDerWaalsContact C-N 3.31Å; Y85-M123 HydrophobicContact CD2-CE 3.65Å; Y85-M123 HydrophobicContact CE2-CE 4.44Å; Y85-M123 HydrophobicContact CG-CE 4Å |
| 86 | S | 98.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.9 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | A69 T70 P80 N81 | A69-S86 CarbonylContact C-O 3.49Å; A69-S86 WeakPolarHBondContact CA-O 3.4Å; A69-S86 WeakPolarHBondContact CB-O 3.37Å; T70-S86 PolarHBondContact N-O 3.2Å; T70-S86 PolarHBondContact O-N 3.47Å; P80-S86 WeakPolarHBondContact O-CA 3.22Å; N81-S86 WeakPolarHBondContact OD1-CA 3.41Å; N81-S86 PolarHBondContact OD1-OG 3.15Å |
| 87 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.9 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | L68 A69 P80 V82 L89 M123 T126 | L68-V87 HydrophobicContact CD1-CG1 4.45Å; L68-V87 CarbonylContact O-C 3.41Å; L68-V87 WeakPolarHBondContact O-CA 3.4Å; A69-V87 HydrophobicContact CB-CG2 4.46Å; P80-V87 HydrophobicContact CB-CB 4.43Å; P80-V87 PolarHBondContact O-N 3.44Å; V82-V87 HydrophobicContact CG2-CG2 3.97Å; V87-L89 HydrophobicContact CG1-CD2 3.73Å; V87-L89 HydrophobicContact CG1-CG 4.22Å; V87-L89 PolarHBondContact O-N 2.93Å; V87-M123 HydrophobicContact CG2-CB 4.42Å; V87-M123 HydrophobicContact CG2-CG 4.47Å; V87-T126 HydrophobicContact CB-CG2 4.46Å; V87-T126 HydrophobicContact CG1-CG2 4.39Å |
| 88 | M | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -93.2 | 68.1 | -175.4 | -56.8 | -50.1 | -54.3 | 0 | 0 | 110.6 | T67 L68 T70 P73 P74 Y79 N90 Q91 F92 | T67-M88 HydrophobicContact CG2-CB 4.29Å; T67-M88 HydrophobicContact CG2-CG 3.81Å; L68-M88 PolarHBondContact O-N 2.97Å; T70-M88 HydrophobicContact CG2-CG 3.92Å; T70-M88 HydrophobicContact CG2-SD 3.9Å; P73-M88 HydrophobicContact CB-SD 3.99Å; P74-M88 VanDerWaalsContact CD-CE 3.46Å; P74-M88 HydrophobicContact CG-CE 3.71Å; Y79-M88 HydrophobicContact CD1-CE 4.02Å; Y79-M88 HydrophobicContact CD1-SD 4.25Å; Y79-M88 HydrophobicContact CE1-CE 3.66Å; Y79-M88 HydrophobicContact CE1-SD 4.43Å; Y79-M88 HydrophobicContact CG-SD 4.42Å; M88-N90 PolarHBondContact O-N 2.83Å; M88-Q91 HydrophobicContact CB-CB 4.16Å; M88-Q91 HydrophobicContact CB-CG 4.31Å; M88-Q91 PolarHBondContact O-N 2.82Å; M88-F92 WeakPolarHBondContact O-CB 3.31Å; M88-F92 PolarHBondContact O-N 2.95Å | ||
| 89 | L | 97.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.7 | -39 | -176.7 | -64.5 | -177.9 | 0 | 0 | 0 | 112.8 | P80 V87 Q91 F92 E93 T126 | P80-L89 HydrophobicContact CG-CD1 4.05Å; V87-L89 HydrophobicContact CG1-CD2 3.73Å; V87-L89 HydrophobicContact CG1-CG 4.22Å; V87-L89 PolarHBondContact O-N 2.93Å; L89-Q91 PolarHBondContact O-N 2.81Å; L89-F92 PolarHBondContact O-N 3.14Å; L89-E93 VanDerWaalsContact O-CB 3.3Å; L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 WeakPolarHBondContact O-CG 3.5Å; L89-E93 PolarHBondContact O-N 2.98Å; L89-T126 HydrophobicContact CD1-CG2 4.37Å; L89-T126 HydrophobicContact CD2-CG2 4.2Å |
| 90 | N | 96.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65 | -20.3 | 178 | 67.5 | -32.4 | 0 | 0 | 0 | 114.5 | M88 P94 | M88-N90 PolarHBondContact O-N 2.83Å; N90-P94 WeakPolarHBondContact O-CD 3.49Å; N90-P94 WeakPolarHBondContact O-CG 3.49Å |
| 91 | Q | 97 | Very high | 95.9 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -96.8 | -42.1 | 173.3 | -64 | -174 | 40.9 | 0 | 0 | 111 | A66 T67 M88 L89 | A66-Q91 VanDerWaalsContact CB-O 3.26Å; A66-Q91 WeakPolarHBondContact CB-O 3.29Å; T67-Q91 WeakPolarHBondContact O-CB 3.42Å; T67-Q91 PolarHBondContact OG1-OE1 2.83Å; M88-Q91 HydrophobicContact CB-CB 4.16Å; M88-Q91 HydrophobicContact CB-CG 4.31Å; M88-Q91 PolarHBondContact O-N 2.82Å; L89-Q91 PolarHBondContact O-N 2.81Å |
| 92 | F | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -53 | -179 | 172 | -115.4 | 0 | 0 | 0 | 112.7 | F41 I57 L68 M88 L89 L95 A96 E124 F130 | F41-F92 HydrophobicContact CZ-CE2 4.22Å; I57-F92 HydrophobicContact CD1-CD2 3.69Å; I57-F92 HydrophobicContact CD1-CE2 3.93Å; I57-F92 HydrophobicContact CG1-CD2 4.19Å; I57-F92 HydrophobicContact CG2-CD2 4.18Å; I57-F92 HydrophobicContact CG2-CE2 4.01Å; L68-F92 HydrophobicContact CD1-CB 4.28Å; L68-F92 HydrophobicContact CD1-CD1 4.23Å; L68-F92 HydrophobicContact CD1-CD2 3.66Å; L68-F92 HydrophobicContact CD1-CE2 3.99Å; L68-F92 HydrophobicContact CD1-CG 3.79Å; L68-F92 HydrophobicContact CD1-CZ 4.4Å; M88-F92 WeakPolarHBondContact O-CB 3.31Å; M88-F92 PolarHBondContact O-N 2.95Å; L89-F92 PolarHBondContact O-N 3.14Å; F92-L95 PolarHBondContact O-N 3.27Å; F92-A96 HydrophobicContact CD2-CB 4.01Å; F92-A96 HydrophobicContact CE1-CB 4.22Å; F92-A96 HydrophobicContact CE2-CB 3.59Å; F92-A96 HydrophobicContact CG-CB 4.49Å; F92-A96 HydrophobicContact CZ-CB 3.71Å; F92-A96 VanDerWaalsContact O-CB 3.31Å; F92-A96 WeakPolarHBondContact O-CB 3.44Å; F92-A96 PolarHBondContact O-N 3.36Å; F92-E124 HydrophobicContact CE1-CB 4.42Å; F92-E124 HydrophobicContact CE2-CG 4.35Å; F92-E124 HydrophobicContact CZ-CB 3.92Å; F92-E124 HydrophobicContact CZ-CG 4.1Å; F92-F130 HydrophobicContact CE1-CB 3.74Å; F92-F130 HydrophobicContact CE1-CD1 4.23Å; F92-F130 HydrophobicContact CE1-CD2 4.07Å; F92-F130 AromaticContact CE1-CG 3.73Å; F92-F130 HydrophobicContact CE1-CG 3.73Å; F92-F130 HydrophobicContact CZ-CB 4.18Å; F92-F130 HydrophobicContact CZ-CD1 4.11Å; F92-F130 AromaticContact CZ-CD2 3.61Å; F92-F130 HydrophobicContact CZ-CD2 3.61Å; F92-F130 HydrophobicContact CZ-CE1 4.45Å; F92-F130 AromaticContact CZ-CE2 3.98Å; F92-F130 HydrophobicContact CZ-CE2 3.98Å; F92-F130 AromaticContact CZ-CG 3.67Å; F92-F130 HydrophobicContact CZ-CG 3.67Å; F92-F130 HydrophobicContact CZ-CZ 4.37Å |
| 93 | E | 97.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 42 Ų | 42 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | -171.5 | -69.7 | -174.6 | 165.2 | 0 | 0 | 113.4 | L89 L95 A96 L97 S127 | L89-E93 VanDerWaalsContact O-CB 3.3Å; L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 WeakPolarHBondContact O-CG 3.5Å; L89-E93 PolarHBondContact O-N 2.98Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 3.34Å; E93-A96 PolarHBondContact O-N 3.48Å; E93-L97 HydrophobicContact CB-CD1 4.03Å; E93-L97 HydrophobicContact CB-CG 4.38Å; E93-L97 WeakPolarHBondContact O-CB 3.33Å; E93-L97 WeakPolarHBondContact O-CG 3.5Å; E93-L97 PolarHBondContact O-N 3.27Å; E93-S127 WeakPolarHBondContact CG-OG 3.39Å; E93-S127 VanDerWaalsContact OE1-CB 3.29Å; E93-S127 WeakPolarHBondContact OE1-CB 3.09Å; E93-S127 PolarHBondContact OE1-OG 3.33Å |
| 94 | P | 97.2 | Very high | 90.9 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.3 | -40.1 | 180 | -28 | 36.3 | 0 | 0 | 0 | 113.5 | N90 D98 | N90-P94 WeakPolarHBondContact O-CD 3.49Å; N90-P94 WeakPolarHBondContact O-CG 3.49Å; P94-D98 WeakPolarHBondContact O-CB 3.38Å; P94-D98 PolarHBondContact O-N 3.5Å |
| 95 | L | 97.4 | Very high | 89 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79 | -48.5 | 178.7 | -179.8 | 58.4 | 0 | 0 | 0 | 111.7 | I57 T59 R64 A66 F92 E93 L97 D98 V99 | I57-L95 HydrophobicContact CD1-CB 4.03Å; I57-L95 HydrophobicContact CD1-CD2 3.83Å; I57-L95 HydrophobicContact CD1-CG 3.88Å; I57-L95 HydrophobicContact CG1-CD2 4Å; T59-L95 HydrophobicContact CG2-CD1 3.77Å; T59-L95 HydrophobicContact CG2-CD2 4.46Å; T59-L95 HydrophobicContact CG2-CG 4.41Å; R64-L95 HydrophobicContact CB-CD1 3.75Å; R64-L95 HydrophobicContact CB-CD2 4.22Å; A66-L95 HydrophobicContact CB-CB 3.93Å; A66-L95 HydrophobicContact CB-CD2 3.68Å; A66-L95 HydrophobicContact CB-CG 4.45Å; F92-L95 PolarHBondContact O-N 3.27Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 3.34Å; L95-L97 PolarHBondContact O-N 3.18Å; L95-D98 PolarHBondContact O-N 2.68Å; L95-V99 HydrophobicContact CD1-CG2 4Å; L95-V99 VanDerWaalsContact O-CG2 3.24Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 3.36Å; L95-V99 VanDerWaalsContact O-N 3.15Å |
| 96 | A | 97.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F41 I57 F92 E93 L100 F130 | F41-A96 HydrophobicContact CE1-CB 4.04Å; I57-A96 HydrophobicContact CD1-CB 4.08Å; F92-A96 HydrophobicContact CD2-CB 4.01Å; F92-A96 HydrophobicContact CE1-CB 4.22Å; F92-A96 HydrophobicContact CE2-CB 3.59Å; F92-A96 HydrophobicContact CG-CB 4.49Å; F92-A96 HydrophobicContact CZ-CB 3.71Å; F92-A96 VanDerWaalsContact O-CB 3.31Å; F92-A96 WeakPolarHBondContact O-CB 3.44Å; F92-A96 PolarHBondContact O-N 3.36Å; E93-A96 PolarHBondContact O-N 3.48Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 VanDerWaalsContact O-CG 3.22Å; A96-L100 WeakPolarHBondContact O-CG 3.35Å; A96-L100 PolarHBondContact O-N 3.46Å; A96-L100 VanDerWaalsContact O-N 3.13Å; A96-F130 HydrophobicContact CB-CD2 4.03Å |
| 97 | L | 96.2 | Very high | 84.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.4 | -38.6 | -179.1 | -62.8 | 178.4 | 0 | 0 | 0 | 112.4 | E93 L95 V99 L100 K101 P129 A133 | E93-L97 HydrophobicContact CB-CD1 4.03Å; E93-L97 HydrophobicContact CB-CG 4.38Å; E93-L97 WeakPolarHBondContact O-CB 3.33Å; E93-L97 WeakPolarHBondContact O-CG 3.5Å; E93-L97 PolarHBondContact O-N 3.27Å; L95-L97 PolarHBondContact O-N 3.18Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-L100 PolarHBondContact O-N 3.01Å; L97-K101 HydrophobicContact CB-CD 4.47Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 3.2Å; L97-P129 HydrophobicContact CD1-CB 3.89Å; L97-P129 HydrophobicContact CD2-CB 4.07Å; L97-P129 WeakPolarHBondContact CD2-O 3.41Å; L97-A133 HydrophobicContact CD2-CB 3.79Å |
| 98 | D | 94.2 | Very high | 82.2 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.2 | -178.3 | 49.8 | 0 | 0 | 0 | 111.1 | R64 P94 L95 L100 G102 | R64-D98 IonicContact CZ-OD2 3.71Å; R64-D98 IonicContact NH1-OD2 3.94Å; R64-D98 PolarHBondContact NH1-OD2 3.42Å; R64-D98 IonicContact NH2-OD2 2.72Å; P94-D98 WeakPolarHBondContact O-CB 3.38Å; P94-D98 PolarHBondContact O-N 3.5Å; L95-D98 PolarHBondContact O-N 2.68Å; D98-L100 PolarHBondContact O-N 3.05Å; D98-G102 PolarHBondContact O-N 3.04Å |
| 99 | V | 92.8 | Very high | 79.9 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | G40 T59 L95 L97 | G40-V99 VanDerWaalsContact N-CG1 3.31Å; T59-V99 HydrophobicContact CG2-CG2 3.77Å; L95-V99 HydrophobicContact CD1-CG2 4Å; L95-V99 VanDerWaalsContact O-CG2 3.24Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 3.36Å; L95-V99 VanDerWaalsContact O-N 3.15Å; L97-V99 VanDerWaalsContact C-N 3.33Å |
| 100 | L | 92.1 | Very high | 78 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.2 | -31.9 | -179.4 | -65.9 | 177.9 | 0 | 0 | 0 | 113.3 | A96 L97 D98 F115 I117 F130 A133 A134 V137 | A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 VanDerWaalsContact O-CG 3.22Å; A96-L100 WeakPolarHBondContact O-CG 3.35Å; A96-L100 PolarHBondContact O-N 3.46Å; A96-L100 VanDerWaalsContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 3.01Å; D98-L100 PolarHBondContact O-N 3.05Å; L100-F115 HydrophobicContact CD2-CD1 4.28Å; L100-F115 HydrophobicContact CD2-CE1 4.45Å; L100-I117 HydrophobicContact CD2-CD1 3.91Å; L100-I117 HydrophobicContact CD2-CG1 4.17Å; L100-F130 HydrophobicContact CD1-CD2 3.75Å; L100-F130 HydrophobicContact CD1-CE2 3.72Å; L100-A133 HydrophobicContact CB-CB 4.15Å; L100-A133 HydrophobicContact CD1-CB 3.97Å; L100-A134 HydrophobicContact CD1-CB 4.38Å; L100-V137 HydrophobicContact CB-CG2 4.16Å; L100-V137 HydrophobicContact CD2-CG2 3.95Å |
| 101 | K | 86.4 | Confident | 76.6 | Confident | 96 Ų | 96 | 60.1 Ų | 60.1 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -91.1 | -21 | -176.4 | -67.2 | 179 | 179.1 | -180 | 0 | 114 | L97 D103 L104 | L97-K101 HydrophobicContact CB-CD 4.47Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 3.2Å; K101-D103 PolarHBondContact O-N 3.19Å; K101-L104 HydrophobicContact CB-CD1 4.36Å; K101-L104 HydrophobicContact CG-CD1 4.27Å; K101-L104 PolarHBondContact O-N 2.85Å |
| 102 | G | 69.8 | Low | 75.7 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R39 D98 | R39-G102 PolarHBondContact NH1-O 3.41Å; D98-G102 PolarHBondContact O-N 3.04Å |
| 103 | D | 54.9 | Low | 75.2 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -4.4 | 175.6 | -121.6 | -20.4 | 0 | 0 | 0 | 114.6 | R39 K101 D105 T110 F115 | R39-D103 VanDerWaalsContact CD-OD2 3.32Å; R39-D103 WeakPolarHBondContact CD-OD2 3.43Å; R39-D103 IonicContact CZ-OD2 2.76Å; R39-D103 IonicContact NE-OD2 3.8Å; R39-D103 IonicContact NH1-OD1 2.63Å; R39-D103 PolarHBondContact NH1-OD1 2.98Å; R39-D103 IonicContact NH1-OD2 3.65Å; R39-D103 PolarHBondContact NH1-OD2 3.16Å; K101-D103 PolarHBondContact O-N 3.19Å; D103-D105 PolarHBondContact O-N 2.81Å; D103-T110 PolarHBondContact OD1-OG1 3.34Å; D103-T110 PolarHBondContact OD2-OG1 2.79Å; D103-F115 HydrophobicContact CB-CZ 4.03Å |
| 104 | L | 56.7 | Low | 75 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.6 | -19.8 | 173.1 | -63.1 | 173.9 | 0 | 0 | 0 | 111 | K101 S106 Q140 | K101-L104 HydrophobicContact CB-CD1 4.36Å; K101-L104 HydrophobicContact CG-CD1 4.27Å; K101-L104 PolarHBondContact O-N 2.85Å; L104-S106 PolarHBondContact O-N 3.16Å; L104-Q140 VanDerWaalsContact CD2-NE2 3.28Å |
| 105 | D | 55 | Low | 75 | Confident | 126 Ų | 126 | 53.8 Ų | 53.8 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -80.8 | 109.2 | 173 | -71.2 | -20.7 | 0 | 0 | 0 | 110.2 | D103 N107 S108 | D103-D105 PolarHBondContact O-N 2.81Å; D105-N107 PolarHBondContact O-N 3.01Å; D105-S108 PolarHBondContact O-N 2.79Å; D105-S108 VanDerWaalsContact O-N 3.16Å |
| 106 | S | 50.1 | Low | 75 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -0.7 | -169 | -56.2 | 0 | 0 | 0 | 0 | 116.7 | L104 K111 | L104-S106 PolarHBondContact O-N 3.16Å; S106-K111 VanDerWaalsContact O-CE 3.25Å; S106-K111 WeakPolarHBondContact O-CE 3.36Å; S106-K111 PolarHBondContact O-NZ 3.37Å; S106-K111 VanDerWaalsContact O-NZ 3.15Å |
| 107 | N | 49.8 | Very low | 75 | Confident | 165 Ų | 165 | 53.6 Ų | 53.6 | 88% | 0.882 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 3.3 | -177.7 | -72.3 | -30.6 | 0 | 0 | 0 | 113.8 | D105 | D105-N107 PolarHBondContact O-N 3.01Š|
| 108 | S | 52.4 | Low | 75.1 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | trans | -74 | 134.7 | 178.4 | -150.5 | 0 | 0 | 0 | 0 | 111.4 | R39 D105 T110 | R39-S108 PolarHBondContact NH2-OG 3.4Å; D105-S108 PolarHBondContact O-N 2.79Å; D105-S108 VanDerWaalsContact O-N 3.16Å; S108-T110 VanDerWaalsContact CB-OG1 3.28Å; S108-T110 WeakPolarHBondContact CB-OG1 3.28Å; S108-T110 PolarHBondContact O-N 3.49Å; S108-T110 PolarHBondContact OG-OG1 2.98Å | ||
| 109 | S | 49.9 | Very low | 75.2 | Confident | 126 Ų | 126 | 49.9 Ų | 49.9 | 88% | 0.881 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 15.7 | 174.4 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 110 | T | 57.5 | Low | 75.4 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 13.4 | -166.1 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | R39 D103 S108 N112 A113 | R39-T110 PolarHBondContact NE-OG1 2.94Å; R39-T110 PolarHBondContact NH1-OG1 2.91Å; R39-T110 PolarHBondContact NH2-OG1 2.9Å; D103-T110 PolarHBondContact OD1-OG1 3.34Å; D103-T110 PolarHBondContact OD2-OG1 2.79Å; S108-T110 VanDerWaalsContact CB-OG1 3.28Å; S108-T110 WeakPolarHBondContact CB-OG1 3.28Å; S108-T110 PolarHBondContact O-N 3.49Å; S108-T110 PolarHBondContact OG-OG1 2.98Å; T110-N112 PolarHBondContact O-N 2.8Å; T110-A113 WeakPolarHBondContact O-CB 3.32Å; T110-A113 PolarHBondContact O-N 3.19Å |
| 111 | K | 65.7 | Low | 75.6 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -16.3 | 172.6 | -88.9 | -175.2 | 172.8 | 172.1 | 0 | 115.3 | S106 | S106-K111 VanDerWaalsContact O-CE 3.25Å; S106-K111 WeakPolarHBondContact O-CE 3.36Å; S106-K111 PolarHBondContact O-NZ 3.37Å; S106-K111 VanDerWaalsContact O-NZ 3.15Å |
| 112 | N | 78.8 | Confident | 76.1 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 43.4 | -177.9 | -62.7 | -25.2 | 0 | 0 | 0 | 112.2 | T110 F199 P200 | T110-N112 PolarHBondContact O-N 2.8Å; N112-F199 HydrophobicContact CB-CB 4.14Å; N112-F199 HydrophobicContact CB-CD1 3.68Å; N112-F199 HydrophobicContact CB-CD2 3.79Å; N112-F199 HydrophobicContact CB-CE1 3.96Å; N112-F199 HydrophobicContact CB-CE2 4.07Å; N112-F199 HydrophobicContact CB-CG 3.59Å; N112-F199 HydrophobicContact CB-CZ 4.15Å; N112-F199 WeakPolarHBondContact O-CD2 3.24Å; N112-F199 VanDerWaalsContact O-CE2 3.23Å; N112-F199 WeakPolarHBondContact O-CE2 3.5Å; N112-P200 WeakPolarHBondContact ND2-CD 3.4Å |
| 113 | A | 87.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 148.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P37 R39 T110 | P37-A113 HydrophobicContact CB-CB 4.05Å; P37-A113 CarbonylContact O-C 3.37Å; P37-A113 VanDerWaalsContact O-CA 3.31Å; P37-A113 WeakPolarHBondContact O-CA 3.2Å; R39-A113 HydrophobicContact CB-CB 4.3Å; R39-A113 HydrophobicContact CG-CB 3.83Å; T110-A113 WeakPolarHBondContact O-CB 3.32Å; T110-A113 PolarHBondContact O-N 3.19Å |
| 114 | V | 94.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121 | 168.9 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | I36 P37 L38 R39 I144 I146 V190 I194 | I36-V114 HydrophobicContact CG2-CG2 3.79Å; P37-V114 PolarHBondContact O-N 3.45Å; L38-V114 WeakPolarHBondContact CA-O 3.38Å; L38-V114 HydrophobicContact CD2-CB 3.93Å; L38-V114 HydrophobicContact CD2-CG1 4.49Å; R39-V114 PolarHBondContact N-O 2.88Å; V114-I144 HydrophobicContact CG1-CB 4.38Å; V114-I144 HydrophobicContact CG1-CG2 4.06Å; V114-I144 HydrophobicContact CG2-CB 4.29Å; V114-I144 HydrophobicContact CG2-CD1 4.35Å; V114-I144 HydrophobicContact CG2-CG2 4.43Å; V114-I146 HydrophobicContact CG1-CD1 3.51Å; V114-I146 HydrophobicContact CG1-CG1 3.89Å; V114-V190 HydrophobicContact CG1-CG1 4.45Å; V114-V190 HydrophobicContact CG2-CG1 3.93Å; V114-I194 HydrophobicContact CG2-CD1 4.15Å; V114-I194 HydrophobicContact CG2-CG1 4.48Å |
| 115 | F | 95.8 | Very high | 81.3 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.9 | 177.3 | -86.9 | -97.9 | 0 | 0 | 0 | 111.5 | R39 L100 D103 V137 T143 I144 V145 I146 | R39-F115 HydrophobicContact CB-CD1 4.14Å; R39-F115 HydrophobicContact CB-CD2 4.44Å; R39-F115 HydrophobicContact CB-CE1 3.98Å; R39-F115 HydrophobicContact CB-CE2 4.3Å; R39-F115 HydrophobicContact CB-CG 4.38Å; R39-F115 HydrophobicContact CB-CZ 4.07Å; R39-F115 CarbonylContact O-C 3.6Å; R39-F115 WeakPolarHBondContact O-CA 3.26Å; L100-F115 HydrophobicContact CD2-CD1 4.28Å; L100-F115 HydrophobicContact CD2-CE1 4.45Å; D103-F115 HydrophobicContact CB-CZ 4.03Å; F115-V137 HydrophobicContact CB-CG1 4Å; F115-V137 HydrophobicContact CD1-CG1 3.73Å; F115-V137 HydrophobicContact CD1-CG2 4.31Å; F115-V137 HydrophobicContact CD2-CG1 4.18Å; F115-V137 HydrophobicContact CE1-CG1 4.24Å; F115-V137 HydrophobicContact CE1-CG2 4.13Å; F115-V137 HydrophobicContact CG-CG1 3.69Å; F115-T143 HydrophobicContact CD2-CG2 3.55Å; F115-T143 HydrophobicContact CE2-CG2 4.11Å; F115-T143 HydrophobicContact CG-CG2 4.31Å; F115-I144 PolarHBondContact N-O 2.95Å; F115-V145 HydrophobicContact CB-CG1 4.35Å; F115-V145 HydrophobicContact CB-CG2 4.29Å; F115-V145 CarbonylContact O-C 3.48Å; F115-V145 WeakPolarHBondContact O-CA 3.2Å; F115-I146 PolarHBondContact O-N 3.15Å |
| 116 | V | 97.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.7 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | V24 R39 G40 F41 V60 I146 | V24-V116 HydrophobicContact CG1-CG1 3.39Å; R39-V116 PolarHBondContact O-N 3.03Å; G40-V116 CarbonylContact C-O 3.59Å; G40-V116 WeakPolarHBondContact CA-O 3.33Å; F41-V116 PolarHBondContact N-O 2.84Å; F41-V116 CarbonylContact O-C 3.58Å; F41-V116 VanDerWaalsContact O-O 3.11Å; V60-V116 HydrophobicContact CG1-CB 3.71Å; V60-V116 HydrophobicContact CG1-CG1 4.22Å; V60-V116 HydrophobicContact CG1-CG2 3.93Å; V116-I146 CarbonylContact C-O 3.59Å; V116-I146 WeakPolarHBondContact CA-O 3.4Å |
| 117 | I | 98 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 85.3 | 178.8 | -48.1 | 178.7 | 0 | 0 | 0 | 108.5 | F41 L100 I120 F130 A134 F138 V145 I146 A147 T148 | F41-I117 HydrophobicContact CZ-CG2 4.06Å; L100-I117 HydrophobicContact CD2-CD1 3.91Å; L100-I117 HydrophobicContact CD2-CG1 4.17Å; I117-I120 HydrophobicContact CB-CD1 4.44Å; I117-I120 HydrophobicContact CB-CG1 4.29Å; I117-I120 HydrophobicContact CG2-CD1 4.1Å; I117-I120 HydrophobicContact CG2-CG1 3.56Å; I117-F130 HydrophobicContact CG2-CE2 4.24Å; I117-F130 HydrophobicContact CG2-CZ 3.83Å; I117-A134 HydrophobicContact CD1-CB 4.34Å; I117-F138 HydrophobicContact CD1-CE2 4.44Å; I117-V145 HydrophobicContact CD1-CG1 4.11Å; I117-V145 HydrophobicContact CG1-CG1 4.41Å; I117-I146 PolarHBondContact N-O 3.33Å; I117-A147 HydrophobicContact CB-CB 4.32Å; I117-A147 VanDerWaalsContact O-CA 3.26Å; I117-A147 WeakPolarHBondContact O-CA 3.22Å; I117-T148 PolarHBondContact O-N 2.77Å |
| 118 | D | 97.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -108.7 | 104.7 | 173.6 | 171 | 60.6 | 0 | 0 | 0 | 109.2 | T21 V24 F41 Y42 T43 T148 | T21-D118 WeakPolarHBondContact CB-OD2 3.31Å; T21-D118 WeakPolarHBondContact CG2-OD2 3.46Å; T21-D118 PolarHBondContact OG1-OD2 2.56Å; V24-D118 HydrophobicContact CG1-CB 4.15Å; V24-D118 HydrophobicContact CG2-CB 4.28Å; F41-D118 PolarHBondContact O-N 2.93Å; F41-D118 VanDerWaalsContact O-N 3.15Å; Y42-D118 CarbonylContact C-O 3.56Å; Y42-D118 WeakPolarHBondContact CA-O 3.38Å; T43-D118 VanDerWaalsContact CB-O 3.32Å; T43-D118 WeakPolarHBondContact CB-O 3.45Å; T43-D118 PolarHBondContact N-O 2.89Å; T43-D118 PolarHBondContact N-OD2 3.39Å; T43-D118 VanDerWaalsContact N-OD2 3.14Å; T43-D118 PolarHBondContact OG1-O 2.72Å; D118-T148 WeakPolarHBondContact CA-OG1 3.21Å; D118-T148 HydrophobicContact CB-CG2 3.96Å; D118-T148 WeakPolarHBondContact OD1-CB 3.14Å; D118-T148 WeakPolarHBondContact OD1-CG2 3.12Å; D118-T148 PolarHBondContact OD1-OG1 2.85Å |
| 119 | E | 96.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | cis | -120.8 | 157.7 | 6.5 | -174.3 | 172.1 | 146.8 | 0 | 0 | 112.8 | K20 G121 E124 T148 P150 | K20-E119 WeakPolarHBondContact CE-OE2 3.39Å; K20-E119 IonicContact NZ-OE2 2.95Å; K20-E119 PolarHBondContact NZ-OE2 3.47Å; E119-G121 PolarHBondContact O-N 3.35Å; E119-E124 WeakPolarHBondContact O-CG 3.21Å; E119-T148 WeakPolarHBondContact CA-OG1 3.3Å; E119-T148 WeakPolarHBondContact CB-OG1 3.18Å; E119-T148 WeakPolarHBondContact CG-O 3.22Å; E119-T148 VanDerWaalsContact CG-OG1 3.3Å; E119-T148 WeakPolarHBondContact CG-OG1 3.17Å; E119-P150 WeakPolarHBondContact OE1-CA 3.14Å; E119-P150 WeakPolarHBondContact OE1-CD 3.48Å; E119-P150 VanDerWaalsContact OE1-N 3.11Å | ||
| 120 | I | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -94.7 | 75.4 | 163 | -53.8 | 177.4 | 0 | 0 | 0 | 107.9 | I117 L125 F138 A147 T148 I149 P150 L157 F160 | I117-I120 HydrophobicContact CB-CD1 4.44Å; I117-I120 HydrophobicContact CB-CG1 4.29Å; I117-I120 HydrophobicContact CG2-CD1 4.1Å; I117-I120 HydrophobicContact CG2-CG1 3.56Å; I120-L125 HydrophobicContact CG2-CD1 4Å; I120-L125 HydrophobicContact CG2-CD2 3.93Å; I120-L125 HydrophobicContact CG2-CG 4.07Å; I120-F138 HydrophobicContact CD1-CE2 3.49Å; I120-F138 VanDerWaalsContact CD1-CE2 3.49Å; I120-F138 HydrophobicContact CD1-CZ 3.79Å; I120-A147 HydrophobicContact CD1-CB 3.79Å; I120-A147 HydrophobicContact CG1-CB 4.37Å; I120-T148 PolarHBondContact N-O 2.83Å; I120-I149 HydrophobicContact CB-CG2 4.16Å; I120-P150 WeakPolarHBondContact O-CD 3.4Å; I120-L157 HydrophobicContact CB-CD1 4.46Å; I120-L157 HydrophobicContact CG2-CD1 3.74Å; I120-F160 HydrophobicContact CD1-CE1 4.22Å; I120-F160 HydrophobicContact CG2-CD2 4.27Å; I120-F160 HydrophobicContact CG2-CE2 3.88Å; I120-F160 HydrophobicContact CG2-CZ 4.02Å | ||
| 121 | G | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -119 | -172 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E119 M123 E124 L125 | E119-G121 PolarHBondContact O-N 3.35Å; G121-M123 VanDerWaalsContact C-N 3.29Å; G121-M123 PolarHBondContact O-N 3.14Å; G121-E124 WeakPolarHBondContact CA-OE2 3.37Å; G121-E124 PolarHBondContact N-OE2 2.94Å; G121-E124 VanDerWaalsContact N-OE2 3.09Å; G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 VanDerWaalsContact O-CG 3.25Å; G121-L125 WeakPolarHBondContact O-CG 3.43Å; G121-L125 PolarHBondContact O-N 3.16Å |
| 122 | K | 95.6 | Very high | 95.5 | Very high | 111 Ų | 111 | 29.2 Ų | 29.2 | 48% | 0.483 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.8 | -177.5 | -177 | 172.6 | 175.4 | 177.5 | 0 | 112.6 | V82 T126 L154 | V82-K122 HydrophobicContact CG1-CB 4.46Å; V82-K122 HydrophobicContact CG1-CD 3.83Å; V82-K122 HydrophobicContact CG1-CG 4.02Å; V82-K122 HydrophobicContact CG2-CD 4.46Å; V82-K122 HydrophobicContact CG2-CG 4.05Å; K122-T126 PolarHBondContact O-N 3.3Å; K122-T126 PolarHBondContact O-OG1 3.05Å; K122-L154 HydrophobicContact CB-CD1 3.93Å; K122-L154 HydrophobicContact CB-CD2 4.15Å; K122-L154 HydrophobicContact CD-CD1 4.32Å; K122-L154 HydrophobicContact CG-CD1 4.1Å |
| 123 | M | 96.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -46.1 | -178.5 | -67.6 | -174.1 | -177.9 | 0 | 0 | 110.6 | F55 L68 A69 V82 Y85 V87 G121 T126 | F55-M123 HydrophobicContact CD2-CE 4.07Å; F55-M123 HydrophobicContact CD2-SD 3.69Å; F55-M123 HydrophobicContact CE2-CE 3.59Å; F55-M123 HydrophobicContact CE2-SD 3.82Å; F55-M123 HydrophobicContact CG-SD 4.39Å; F55-M123 HydrophobicContact CZ-CE 4.28Å; L68-M123 HydrophobicContact CD1-CB 4.27Å; L68-M123 HydrophobicContact CD2-CB 4.09Å; L68-M123 HydrophobicContact CG-CB 4.22Å; A69-M123 HydrophobicContact CB-SD 3.76Å; V82-M123 HydrophobicContact CB-CE 4.01Å; V82-M123 HydrophobicContact CB-CG 3.92Å; V82-M123 HydrophobicContact CG1-CE 3.86Å; V82-M123 HydrophobicContact CG1-CG 3.97Å; V82-M123 HydrophobicContact CG2-CG 4Å; Y85-M123 HydrophobicContact CD2-CE 3.65Å; Y85-M123 HydrophobicContact CE2-CE 4.44Å; Y85-M123 HydrophobicContact CG-CE 4Å; V87-M123 HydrophobicContact CG2-CB 4.42Å; V87-M123 HydrophobicContact CG2-CG 4.47Å; G121-M123 VanDerWaalsContact C-N 3.29Å; G121-M123 PolarHBondContact O-N 3.14Å; M123-T126 WeakPolarHBondContact O-CB 3.28Å; M123-T126 PolarHBondContact O-N 3.4Å; M123-T126 PolarHBondContact O-OG1 2.88Å; M123-T126 VanDerWaalsContact O-OG1 3.11Å |
| 124 | E | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -69.6 | -43.4 | -177.6 | -56.1 | 84.5 | 177.5 | 0 | 0 | 110.7 | L68 F92 E119 G121 T126 S127 F130 | L68-E124 HydrophobicContact CD1-CG 4.13Å; L68-E124 HydrophobicContact CD2-CG 3.88Å; L68-E124 VanDerWaalsContact CD2-OE1 3.22Å; L68-E124 WeakPolarHBondContact CD2-OE1 3.15Å; F92-E124 HydrophobicContact CE1-CB 4.42Å; F92-E124 HydrophobicContact CE2-CG 4.35Å; F92-E124 HydrophobicContact CZ-CB 3.92Å; F92-E124 HydrophobicContact CZ-CG 4.1Å; E119-E124 WeakPolarHBondContact O-CG 3.21Å; G121-E124 WeakPolarHBondContact CA-OE2 3.37Å; G121-E124 PolarHBondContact N-OE2 2.94Å; G121-E124 VanDerWaalsContact N-OE2 3.09Å; E124-T126 PolarHBondContact O-N 3.26Å; E124-T126 VanDerWaalsContact O-N 3.09Å; E124-S127 WeakPolarHBondContact O-CB 3.48Å; E124-S127 PolarHBondContact O-N 3.17Å; E124-F130 HydrophobicContact CB-CD1 3.88Å; E124-F130 HydrophobicContact CB-CE1 3.47Å; E124-F130 VanDerWaalsContact CB-CE1 3.47Å; E124-F130 HydrophobicContact CB-CZ 4.05Å; E124-F130 WeakPolarHBondContact O-CD1 3.4Å |
| 125 | L | 97.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -72.9 | 5.4 | 174.4 | -62.8 | 179.1 | 0 | 0 | 0 | 114 | I120 G121 F130 L154 Q156 L157 F160 | I120-L125 HydrophobicContact CG2-CD1 4Å; I120-L125 HydrophobicContact CG2-CD2 3.93Å; I120-L125 HydrophobicContact CG2-CG 4.07Å; G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 VanDerWaalsContact O-CG 3.25Å; G121-L125 WeakPolarHBondContact O-CG 3.43Å; G121-L125 PolarHBondContact O-N 3.16Å; L125-F130 HydrophobicContact CD2-CD1 4.33Å; L125-F130 HydrophobicContact CD2-CE1 4.28Å; L125-L154 HydrophobicContact CD1-CD2 3.98Å; L125-Q156 HydrophobicContact CB-CB 3.94Å; L125-Q156 HydrophobicContact CB-CG 4.49Å; L125-Q156 HydrophobicContact CD1-CB 3.74Å; L125-Q156 HydrophobicContact CG-CB 4.48Å; L125-L157 HydrophobicContact CD1-CB 4.47Å; L125-L157 HydrophobicContact CD1-CD1 4.31Å; L125-F160 HydrophobicContact CD2-CE2 3.83Å; L125-F160 HydrophobicContact CD2-CZ 4.37Å |
| 126 | T | 96.8 | Very high | 96.6 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -68.5 | -28.4 | 161.2 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | P80 V87 L89 K122 M123 E124 | P80-T126 HydrophobicContact CB-CG2 3.42Å; P80-T126 VanDerWaalsContact CB-CG2 3.42Å; P80-T126 HydrophobicContact CG-CG2 3.73Å; V87-T126 HydrophobicContact CB-CG2 4.46Å; V87-T126 HydrophobicContact CG1-CG2 4.39Å; L89-T126 HydrophobicContact CD1-CG2 4.37Å; L89-T126 HydrophobicContact CD2-CG2 4.2Å; K122-T126 PolarHBondContact O-N 3.3Å; K122-T126 PolarHBondContact O-OG1 3.05Å; M123-T126 WeakPolarHBondContact O-CB 3.28Å; M123-T126 PolarHBondContact O-N 3.4Å; M123-T126 PolarHBondContact O-OG1 2.88Å; M123-T126 VanDerWaalsContact O-OG1 3.11Å; E124-T126 PolarHBondContact O-N 3.26Å; E124-T126 VanDerWaalsContact O-N 3.09Å |
| 127 | S | 97 | Very high | 96.4 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | trans | -84.9 | 111.7 | 170.3 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | E93 E124 P129 F130 G131 | E93-S127 WeakPolarHBondContact CG-OG 3.39Å; E93-S127 VanDerWaalsContact OE1-CB 3.29Å; E93-S127 WeakPolarHBondContact OE1-CB 3.09Å; E93-S127 PolarHBondContact OE1-OG 3.33Å; E124-S127 WeakPolarHBondContact O-CB 3.48Å; E124-S127 PolarHBondContact O-N 3.17Å; S127-P129 WeakPolarHBondContact OG-CD 3.44Å; S127-F130 PolarHBondContact O-N 2.88Å; S127-F130 WeakPolarHBondContact OG-CB 3.45Å; S127-F130 PolarHBondContact OG-N 3.37Å; S127-G131 PolarHBondContact O-N 3.29Å; S127-G131 VanDerWaalsContact O-N 3.13Å | ||
| 128 | R | 96.1 | Very high | 96.2 | Very high | 183 Ų | 183 | 32.4 Ų | 32.4 | 69% | 0.691 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -62.5 | -44.1 | 168.7 | -174.7 | -179.7 | -176.9 | -68.5 | -8 | 112 | F130 G131 D132 | R128-F130 VanDerWaalsContact C-N 3.29Å; R128-F130 PolarHBondContact O-N 2.89Å; R128-G131 PolarHBondContact O-N 3.45Å; R128-G131 VanDerWaalsContact O-N 3.15Å; R128-D132 IonicContact CZ-OD2 3.7Å; R128-D132 IonicContact NH1-OD2 3.61Å; R128-D132 PolarHBondContact NH1-OD2 2.97Å; R128-D132 IonicContact NH2-OD2 3.82Å; R128-D132 PolarHBondContact O-N 3.15Å |
| 129 | P | 96.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55 | -41.3 | 174.9 | -28.4 | 35.9 | 0 | 0 | 0 | 113.9 | L97 S127 A133 | L97-P129 HydrophobicContact CD1-CB 3.89Å; L97-P129 HydrophobicContact CD2-CB 4.07Å; L97-P129 WeakPolarHBondContact CD2-O 3.41Å; S127-P129 WeakPolarHBondContact OG-CD 3.44Å; P129-A133 WeakPolarHBondContact O-CB 3.26Å; P129-A133 PolarHBondContact O-N 3.31Å |
| 130 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 175.6 | 166.9 | -101 | 0 | 0 | 0 | 111.6 | F41 F92 A96 L100 I117 E124 L125 S127 R128 D132 A133 A134 | F41-F130 AromaticContact CE1-CE2 3.82Å; F41-F130 HydrophobicContact CE1-CE2 3.82Å; F41-F130 HydrophobicContact CZ-CD2 4.5Å; F41-F130 AromaticContact CZ-CE2 3.54Å; F41-F130 HydrophobicContact CZ-CE2 3.54Å; F41-F130 AromaticContact CZ-CZ 3.97Å; F41-F130 HydrophobicContact CZ-CZ 3.97Å; F92-F130 HydrophobicContact CE1-CB 3.74Å; F92-F130 HydrophobicContact CE1-CD1 4.23Å; F92-F130 HydrophobicContact CE1-CD2 4.07Å; F92-F130 AromaticContact CE1-CG 3.73Å; F92-F130 HydrophobicContact CE1-CG 3.73Å; F92-F130 HydrophobicContact CZ-CB 4.18Å; F92-F130 HydrophobicContact CZ-CD1 4.11Å; F92-F130 AromaticContact CZ-CD2 3.61Å; F92-F130 HydrophobicContact CZ-CD2 3.61Å; F92-F130 HydrophobicContact CZ-CE1 4.45Å; F92-F130 AromaticContact CZ-CE2 3.98Å; F92-F130 HydrophobicContact CZ-CE2 3.98Å; F92-F130 AromaticContact CZ-CG 3.67Å; F92-F130 HydrophobicContact CZ-CG 3.67Å; F92-F130 HydrophobicContact CZ-CZ 4.37Å; A96-F130 HydrophobicContact CB-CD2 4.03Å; L100-F130 HydrophobicContact CD1-CD2 3.75Å; L100-F130 HydrophobicContact CD1-CE2 3.72Å; I117-F130 HydrophobicContact CG2-CE2 4.24Å; I117-F130 HydrophobicContact CG2-CZ 3.83Å; E124-F130 HydrophobicContact CB-CD1 3.88Å; E124-F130 HydrophobicContact CB-CE1 3.47Å; E124-F130 VanDerWaalsContact CB-CE1 3.47Å; E124-F130 HydrophobicContact CB-CZ 4.05Å; E124-F130 WeakPolarHBondContact O-CD1 3.4Å; L125-F130 HydrophobicContact CD2-CD1 4.33Å; L125-F130 HydrophobicContact CD2-CE1 4.28Å; S127-F130 PolarHBondContact O-N 2.88Å; S127-F130 WeakPolarHBondContact OG-CB 3.45Å; S127-F130 PolarHBondContact OG-N 3.37Å; R128-F130 VanDerWaalsContact C-N 3.29Å; R128-F130 PolarHBondContact O-N 2.89Å; F130-D132 VanDerWaalsContact C-N 3.31Å; F130-D132 PolarHBondContact O-N 2.92Å; F130-A133 PolarHBondContact O-N 3.48Å; F130-A134 HydrophobicContact CZ-CB 4.4Å; F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 2.98Å |
| 131 | G | 97.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S127 R128 A134 L135 | S127-G131 PolarHBondContact O-N 3.29Å; S127-G131 VanDerWaalsContact O-N 3.13Å; R128-G131 PolarHBondContact O-N 3.45Å; R128-G131 VanDerWaalsContact O-N 3.15Å; G131-A134 PolarHBondContact O-N 3.24Å; G131-L135 WeakPolarHBondContact O-CG 3.33Å; G131-L135 PolarHBondContact O-N 3.33Å |
| 132 | D | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 46.7 Ų | 46.7 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 176.7 | -68.2 | -13.4 | 0 | 0 | 0 | 111.5 | R128 F130 L135 Q136 | R128-D132 IonicContact CZ-OD2 3.7Å; R128-D132 IonicContact NH1-OD2 3.61Å; R128-D132 PolarHBondContact NH1-OD2 2.97Å; R128-D132 IonicContact NH2-OD2 3.82Å; R128-D132 PolarHBondContact O-N 3.15Å; F130-D132 VanDerWaalsContact C-N 3.31Å; F130-D132 PolarHBondContact O-N 2.92Å; D132-L135 PolarHBondContact O-N 3.13Å; D132-Q136 WeakPolarHBondContact O-CG 3.48Å; D132-Q136 PolarHBondContact O-N 3.11Å |
| 133 | A | 95.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 L100 P129 F130 L135 Q136 V137 | L97-A133 HydrophobicContact CD2-CB 3.79Å; L100-A133 HydrophobicContact CB-CB 4.15Å; L100-A133 HydrophobicContact CD1-CB 3.97Å; P129-A133 WeakPolarHBondContact O-CB 3.26Å; P129-A133 PolarHBondContact O-N 3.31Å; F130-A133 PolarHBondContact O-N 3.48Å; A133-L135 VanDerWaalsContact C-N 3.35Å; A133-L135 PolarHBondContact O-N 3.08Å; A133-Q136 WeakPolarHBondContact O-CB 3.49Å; A133-Q136 PolarHBondContact O-N 3.35Å; A133-V137 PolarHBondContact O-N 3.05Å |
| 134 | A | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L100 I117 F130 G131 Q136 V137 F138 F160 | L100-A134 HydrophobicContact CD1-CB 4.38Å; I117-A134 HydrophobicContact CD1-CB 4.34Å; F130-A134 HydrophobicContact CZ-CB 4.4Å; F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 2.98Å; G131-A134 PolarHBondContact O-N 3.24Å; A134-Q136 VanDerWaalsContact C-N 3.3Å; A134-Q136 PolarHBondContact O-N 2.98Å; A134-V137 PolarHBondContact O-N 3.28Å; A134-F138 WeakPolarHBondContact O-CD2 3.38Å; A134-F138 PolarHBondContact O-N 3.06Å; A134-F138 VanDerWaalsContact O-N 3.08Å; A134-F160 HydrophobicContact CB-CE1 4.02Å; A134-F160 HydrophobicContact CB-CZ 3.93Å |
| 135 | L | 95.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 173.1 | -75.9 | 170.5 | 0 | 0 | 0 | 112.2 | G131 D132 A133 F138 N139 V159 F160 I163 | G131-L135 WeakPolarHBondContact O-CG 3.33Å; G131-L135 PolarHBondContact O-N 3.33Å; D132-L135 PolarHBondContact O-N 3.13Å; A133-L135 VanDerWaalsContact C-N 3.35Å; A133-L135 PolarHBondContact O-N 3.08Å; L135-F138 PolarHBondContact O-N 3.4Å; L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 3.28Å; L135-N139 VanDerWaalsContact O-N 3.11Å; L135-N139 PolarHBondContact O-ND2 3.47Å; L135-V159 HydrophobicContact CD1-CB 4.29Å; L135-V159 HydrophobicContact CD1-CG2 4.08Å; L135-F160 HydrophobicContact CD2-CD1 3.63Å; L135-F160 HydrophobicContact CD2-CD2 4.46Å; L135-F160 HydrophobicContact CD2-CE1 3.63Å; L135-F160 HydrophobicContact CD2-CE2 4.45Å; L135-F160 HydrophobicContact CD2-CG 4.06Å; L135-F160 HydrophobicContact CD2-CZ 4.05Å; L135-F160 HydrophobicContact CG-CD1 4.32Å; L135-F160 HydrophobicContact CG-CE1 3.8Å; L135-F160 HydrophobicContact CG-CE2 4.41Å; L135-F160 HydrophobicContact CG-CZ 3.84Å; L135-I163 HydrophobicContact CD2-CD1 3.63Å |
| 136 | Q | 93.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 39.9 Ų | 39.9 | 41% | 0.407 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.6 | -72.3 | 173.4 | 10.3 | 0 | 0 | 111.5 | D132 A133 A134 F138 N139 Q140 | D132-Q136 WeakPolarHBondContact O-CG 3.48Å; D132-Q136 PolarHBondContact O-N 3.11Å; A133-Q136 WeakPolarHBondContact O-CB 3.49Å; A133-Q136 PolarHBondContact O-N 3.35Å; A134-Q136 VanDerWaalsContact C-N 3.3Å; A134-Q136 PolarHBondContact O-N 2.98Å; Q136-F138 PolarHBondContact O-N 3.28Å; Q136-N139 PolarHBondContact O-N 2.74Å; Q136-N139 VanDerWaalsContact O-N 3.14Å; Q136-Q140 WeakPolarHBondContact O-CG 3.36Å; Q136-Q140 PolarHBondContact O-N 3.12Å |
| 137 | V | 93.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | L100 F115 A133 A134 N139 Q140 T143 V145 | L100-V137 HydrophobicContact CB-CG2 4.16Å; L100-V137 HydrophobicContact CD2-CG2 3.95Å; F115-V137 HydrophobicContact CB-CG1 4Å; F115-V137 HydrophobicContact CD1-CG1 3.73Å; F115-V137 HydrophobicContact CD1-CG2 4.31Å; F115-V137 HydrophobicContact CD2-CG1 4.18Å; F115-V137 HydrophobicContact CE1-CG1 4.24Å; F115-V137 HydrophobicContact CE1-CG2 4.13Å; F115-V137 HydrophobicContact CG-CG1 3.69Å; A133-V137 PolarHBondContact O-N 3.05Å; A134-V137 PolarHBondContact O-N 3.28Å; V137-N139 PolarHBondContact O-N 3.13Å; V137-Q140 PolarHBondContact O-N 3.19Å; V137-T143 HydrophobicContact CG1-CG2 4.2Å; V137-V145 HydrophobicContact CG1-CG2 3.85Å |
| 138 | F | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -26.7 | 177 | -78.4 | -73.9 | 0 | 0 | 0 | 114 | H9 F11 I117 I120 A134 L135 Q136 V145 A147 F160 I163 | H9-F138 HydrophobicContact CB-CD1 4.13Å; H9-F138 HydrophobicContact CB-CE1 4.13Å; H9-F138 AromaticContact CD2-CD1 3.88Å; H9-F138 PolarHBondContact CE1-O 3.08Å; H9-F138 AromaticContact CG-CD1 3.86Å; H9-F138 PolarHBondContact NE2-O 3.19Å; H9-F138 VanDerWaalsContact NE2-O 3.17Å; F11-F138 AromaticContact CE1-CE1 3.86Å; F11-F138 HydrophobicContact CE1-CE1 3.86Å; F11-F138 HydrophobicContact CE1-CE2 4.5Å; F11-F138 AromaticContact CE1-CZ 3.6Å; F11-F138 HydrophobicContact CE1-CZ 3.6Å; F11-F138 HydrophobicContact CE2-CE1 4.2Å; F11-F138 HydrophobicContact CZ-CD1 4.21Å; F11-F138 AromaticContact CZ-CE1 3.42Å; F11-F138 HydrophobicContact CZ-CE1 3.42Å; F11-F138 VanDerWaalsContact CZ-CE1 3.42Å; F11-F138 AromaticContact CZ-CZ 3.64Å; F11-F138 HydrophobicContact CZ-CZ 3.64Å; I117-F138 HydrophobicContact CD1-CE2 4.44Å; I120-F138 HydrophobicContact CD1-CE2 3.49Å; I120-F138 VanDerWaalsContact CD1-CE2 3.49Å; I120-F138 HydrophobicContact CD1-CZ 3.79Å; A134-F138 WeakPolarHBondContact O-CD2 3.38Å; A134-F138 PolarHBondContact O-N 3.06Å; A134-F138 VanDerWaalsContact O-N 3.08Å; L135-F138 PolarHBondContact O-N 3.4Å; Q136-F138 PolarHBondContact O-N 3.28Å; F138-V145 HydrophobicContact CD1-CB 3.92Å; F138-V145 HydrophobicContact CD1-CG1 4.01Å; F138-V145 HydrophobicContact CD1-CG2 3.96Å; F138-V145 HydrophobicContact CE1-CB 3.65Å; F138-V145 HydrophobicContact CE1-CG1 3.43Å; F138-V145 VanDerWaalsContact CE1-CG1 3.43Å; F138-V145 HydrophobicContact CE1-CG2 4.2Å; F138-V145 HydrophobicContact CE2-CG1 4.3Å; F138-V145 HydrophobicContact CZ-CB 4.34Å; F138-V145 HydrophobicContact CZ-CG1 3.59Å; F138-A147 HydrophobicContact CZ-CB 3.77Å; F138-F160 AromaticContact CD2-CD1 3.9Å; F138-F160 HydrophobicContact CD2-CD1 3.9Å; F138-F160 AromaticContact CD2-CE1 3.77Å; F138-F160 HydrophobicContact CD2-CE1 3.77Å; F138-F160 AromaticContact CE2-CD1 3.87Å; F138-F160 HydrophobicContact CE2-CD1 3.87Å; F138-F160 AromaticContact CE2-CE1 3.76Å; F138-F160 HydrophobicContact CE2-CE1 3.76Å; F138-I163 HydrophobicContact CB-CD1 3.58Å; F138-I163 HydrophobicContact CB-CG1 4.25Å; F138-I163 HydrophobicContact CB-CG2 3.99Å; F138-I163 HydrophobicContact CD1-CG2 3.6Å; F138-I163 HydrophobicContact CD2-CD1 4.41Å; F138-I163 HydrophobicContact CE1-CG2 4.23Å; F138-I163 HydrophobicContact CG-CD1 4.11Å; F138-I163 HydrophobicContact CG-CG2 3.87Å |
| 139 | N | 91.5 | Very high | 94 | Very high | 112 Ų | 112 | 29.1 Ų | 29.1 | 60% | 0.599 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -88.1 | -6.7 | -179.7 | -71.8 | -38.1 | 0 | 0 | 0 | 113.1 | L135 Q136 V137 | L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 3.28Å; L135-N139 VanDerWaalsContact O-N 3.11Å; L135-N139 PolarHBondContact O-ND2 3.47Å; Q136-N139 PolarHBondContact O-N 2.74Å; Q136-N139 VanDerWaalsContact O-N 3.14Å; V137-N139 PolarHBondContact O-N 3.13Å |
| 140 | Q | 87.8 | Confident | 93.9 | Very high | 75 Ų | 75 | 28.1 Ų | 28.1 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -66.6 | 129.4 | 177 | -74.1 | -58.2 | -40.3 | 0 | 0 | 111.1 | L104 Q136 V137 T143 | L104-Q140 VanDerWaalsContact CD2-NE2 3.28Å; Q136-Q140 WeakPolarHBondContact O-CG 3.36Å; Q136-Q140 PolarHBondContact O-N 3.12Å; V137-Q140 PolarHBondContact O-N 3.19Å; Q140-T143 WeakPolarHBondContact CB-OG1 3.36Å; Q140-T143 PolarHBondContact O-N 2.96Å |
| 141 | P | 83 | Confident | 93.8 | Very high | 99 Ų | 99 | 30.3 Ų | 30.3 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141.8 | 171.4 | -21.8 | 33.1 | 0 | 0 | 0 | 110.8 | T143 | P141-T143 PolarHBondContact O-N 3.4Š|
| 142 | S | 83.5 | Confident | 93.5 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 12.5 | 176.9 | -52.5 | 0 | 0 | 0 | 0 | 116.1 | L197 F199 | S142-L197 WeakPolarHBondContact O-CD1 3.28Å; S142-F199 VanDerWaalsContact O-CE1 3.27Å; S142-F199 WeakPolarHBondContact O-CE1 3.2Å; S142-F199 VanDerWaalsContact O-CZ 3.22Å; S142-F199 WeakPolarHBondContact O-CZ 3.25Å |
| 143 | T | 88.9 | Confident | 93.1 | Very high | 17 Ų | 17 | 41 Ų | 41 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | trans | -86.1 | 135 | 172.2 | -57.9 | 0 | 0 | 0 | 0 | 111 | F115 V137 Q140 P141 V145 | F115-T143 HydrophobicContact CD2-CG2 3.55Å; F115-T143 HydrophobicContact CE2-CG2 4.11Å; F115-T143 HydrophobicContact CG-CG2 4.31Å; V137-T143 HydrophobicContact CG1-CG2 4.2Å; Q140-T143 WeakPolarHBondContact CB-OG1 3.36Å; Q140-T143 PolarHBondContact O-N 2.96Å; P141-T143 PolarHBondContact O-N 3.4Å; T143-V145 HydrophobicContact CG2-CG2 3.85Å | ||
| 144 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.5 | 171.2 | -55.8 | 168.9 | 0 | 0 | 0 | 107.3 | R8 V114 F115 A193 I194 L197 F199 | R8-I144 CarbonylContact O-C 3.51Å; R8-I144 WeakPolarHBondContact O-CA 3.27Å; V114-I144 HydrophobicContact CG1-CB 4.38Å; V114-I144 HydrophobicContact CG1-CG2 4.06Å; V114-I144 HydrophobicContact CG2-CB 4.29Å; V114-I144 HydrophobicContact CG2-CD1 4.35Å; V114-I144 HydrophobicContact CG2-CG2 4.43Å; F115-I144 PolarHBondContact N-O 2.95Å; I144-A193 HydrophobicContact CD1-CB 3.66Å; I144-A193 HydrophobicContact CG1-CB 3.97Å; I144-I194 HydrophobicContact CD1-CB 4.38Å; I144-I194 HydrophobicContact CD1-CG1 3.51Å; I144-L197 HydrophobicContact CD1-CD1 4.08Å; I144-L197 HydrophobicContact CG1-CD1 3.69Å; I144-F199 HydrophobicContact CD1-CD2 4.28Å; I144-F199 HydrophobicContact CD1-CE2 3.83Å; I144-F199 HydrophobicContact CD1-CZ 4.11Å; I144-F199 HydrophobicContact CG1-CE2 4.33Å; I144-F199 HydrophobicContact CG1-CZ 4.25Å |
| 145 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.5 | -177.6 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | R8 L10 F115 I117 V137 F138 T143 A147 | R8-V145 PolarHBondContact O-N 2.74Å; L10-V145 PolarHBondContact N-O 3.17Å; F115-V145 HydrophobicContact CB-CG1 4.35Å; F115-V145 HydrophobicContact CB-CG2 4.29Å; F115-V145 CarbonylContact O-C 3.48Å; F115-V145 WeakPolarHBondContact O-CA 3.2Å; I117-V145 HydrophobicContact CD1-CG1 4.11Å; I117-V145 HydrophobicContact CG1-CG1 4.41Å; V137-V145 HydrophobicContact CG1-CG2 3.85Å; F138-V145 HydrophobicContact CD1-CB 3.92Å; F138-V145 HydrophobicContact CD1-CG1 4.01Å; F138-V145 HydrophobicContact CD1-CG2 3.96Å; F138-V145 HydrophobicContact CE1-CB 3.65Å; F138-V145 HydrophobicContact CE1-CG1 3.43Å; F138-V145 VanDerWaalsContact CE1-CG1 3.43Å; F138-V145 HydrophobicContact CE1-CG2 4.2Å; F138-V145 HydrophobicContact CE2-CG1 4.3Å; F138-V145 HydrophobicContact CZ-CB 4.34Å; F138-V145 HydrophobicContact CZ-CG1 3.59Å; T143-V145 HydrophobicContact CG2-CG2 3.85Å; V145-A147 HydrophobicContact CG1-CB 4.45Å |
| 146 | I | 98.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.3 | 168.9 | -54.4 | 166.6 | 0 | 0 | 0 | 106.4 | L10 I12 L27 L31 V114 F115 V116 I117 V190 | L10-I146 HydrophobicContact CD1-CG1 4.49Å; L10-I146 WeakPolarHBondContact O-CA 3.4Å; I12-I146 HydrophobicContact CD1-CG2 3.91Å; L27-I146 HydrophobicContact CD2-CD1 3.67Å; L27-I146 HydrophobicContact CD2-CG2 4.32Å; L27-I146 HydrophobicContact CG-CD1 4.35Å; L31-I146 HydrophobicContact CD1-CD1 4.14Å; V114-I146 HydrophobicContact CG1-CD1 3.51Å; V114-I146 HydrophobicContact CG1-CG1 3.89Å; F115-I146 PolarHBondContact O-N 3.15Å; V116-I146 CarbonylContact C-O 3.59Å; V116-I146 WeakPolarHBondContact CA-O 3.4Å; I117-I146 PolarHBondContact N-O 3.33Å; I146-V190 HydrophobicContact CD1-CG2 3.84Å; I146-V190 HydrophobicContact CG1-CG2 4.19Å |
| 147 | A | 98.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L10 F11 I12 I117 I120 F138 V145 | L10-A147 PolarHBondContact O-N 3.03Å; F11-A147 CarbonylContact C-O 3.55Å; F11-A147 VanDerWaalsContact CA-O 3.3Å; F11-A147 WeakPolarHBondContact CA-O 3.48Å; F11-A147 HydrophobicContact CD1-CB 4.1Å; F11-A147 HydrophobicContact CE1-CB 4.16Å; I12-A147 PolarHBondContact N-O 3Å; I117-A147 HydrophobicContact CB-CB 4.32Å; I117-A147 VanDerWaalsContact O-CA 3.26Å; I117-A147 WeakPolarHBondContact O-CA 3.22Å; I120-A147 HydrophobicContact CD1-CB 3.79Å; I120-A147 HydrophobicContact CG1-CB 4.37Å; F138-A147 HydrophobicContact CZ-CB 3.77Å; V145-A147 HydrophobicContact CG1-CB 4.45Å |
| 148 | T | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.6 | 167.1 | 69.4 | 0 | 0 | 0 | 0 | 109.8 | I12 K20 V24 I117 D118 E119 I120 | I12-T148 HydrophobicContact CB-CG2 4.17Å; I12-T148 HydrophobicContact CG2-CG2 4.49Å; I12-T148 CarbonylContact O-C 3.57Å; I12-T148 WeakPolarHBondContact O-CA 3.47Å; K20-T148 HydrophobicContact CB-CG2 4.15Å; V24-T148 HydrophobicContact CG2-CG2 3.53Å; I117-T148 PolarHBondContact O-N 2.77Å; D118-T148 WeakPolarHBondContact CA-OG1 3.21Å; D118-T148 HydrophobicContact CB-CG2 3.96Å; D118-T148 WeakPolarHBondContact OD1-CB 3.14Å; D118-T148 WeakPolarHBondContact OD1-CG2 3.12Å; D118-T148 PolarHBondContact OD1-OG1 2.85Å; E119-T148 WeakPolarHBondContact CA-OG1 3.3Å; E119-T148 WeakPolarHBondContact CB-OG1 3.18Å; E119-T148 WeakPolarHBondContact CG-O 3.22Å; E119-T148 VanDerWaalsContact CG-OG1 3.3Å; E119-T148 WeakPolarHBondContact CG-OG1 3.17Å; I120-T148 PolarHBondContact N-O 2.83Å |
| 149 | I | 97.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.3 | 177.5 | 56.9 | 173.3 | 0 | 0 | 0 | 110.4 | F11 I12 T13 I120 L157 L171 | F11-I149 HydrophobicContact CB-CD1 4.2Å; F11-I149 HydrophobicContact CD1-CD1 4.19Å; F11-I149 HydrophobicContact CD1-CG2 3.92Å; F11-I149 HydrophobicContact CE1-CG2 4.4Å; F11-I149 HydrophobicContact CG-CD1 4.45Å; I12-I149 PolarHBondContact O-N 3.16Å; T13-I149 WeakPolarHBondContact CA-O 3.3Å; T13-I149 PolarHBondContact OG1-O 2.86Å; I120-I149 HydrophobicContact CB-CG2 4.16Å; I149-L157 HydrophobicContact CB-CD2 4.06Å; I149-L157 HydrophobicContact CD1-CD2 4.34Å; I149-L157 HydrophobicContact CG2-CD1 3.98Å; I149-L157 HydrophobicContact CG2-CD2 4.15Å; I149-L171 HydrophobicContact CD1-CD1 3.83Å; I149-L171 HydrophobicContact CG1-CD1 4.36Å |
| 150 | P | 95.9 | Very high | 92.8 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.8 | 178 | 27.1 | -34 | 0 | 0 | 0 | 110.8 | T13 E119 I120 K152 L154 | T13-P150 PolarHBondContact OG1-O 3.29Å; E119-P150 WeakPolarHBondContact OE1-CA 3.14Å; E119-P150 WeakPolarHBondContact OE1-CD 3.48Å; E119-P150 VanDerWaalsContact OE1-N 3.11Å; I120-P150 WeakPolarHBondContact O-CD 3.4Å; P150-K152 VanDerWaalsContact C-N 3.26Å; P150-K152 PolarHBondContact O-N 3.47Å; P150-L154 HydrophobicContact CG-CB 4.4Å; P150-L154 HydrophobicContact CG-CD2 4.32Å |
| 151 | A | 93.7 | Very high | 93.1 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -69.8 | -26.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T13 | T13-A151 VanDerWaalsContact OG1-CA 3.23Å; T13-A151 WeakPolarHBondContact OG1-CA 3.38Å; T13-A151 PolarHBondContact OG1-N 2.95Å |
| 152 | K | 91.2 | Very high | 93.6 | Very high | 159 Ų | 159 | 49 Ų | 49 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.9 | 137.7 | 176.2 | -67.8 | -172 | 178.4 | -174.3 | 0 | 109.7 | P150 L154 | P150-K152 VanDerWaalsContact C-N 3.26Å; P150-K152 PolarHBondContact O-N 3.47Å; K152-L154 PolarHBondContact O-N 3.09Å |
| 153 | P | 88.6 | Confident | 94.1 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 84% | 0.838 | 27% | 0.269 | S | S | * | . | trans | -52.4 | 138.1 | 173.3 | -26.5 | 34.3 | 0 | 0 | 0 | 111.9 | ||||
| 154 | L | 91.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | trans | -135.4 | 117.2 | 179.7 | 179.7 | 67.4 | 0 | 0 | 0 | 108.1 | K122 L125 P150 K152 Q156 L157 | K122-L154 HydrophobicContact CB-CD1 3.93Å; K122-L154 HydrophobicContact CB-CD2 4.15Å; K122-L154 HydrophobicContact CD-CD1 4.32Å; K122-L154 HydrophobicContact CG-CD1 4.1Å; L125-L154 HydrophobicContact CD1-CD2 3.98Å; P150-L154 HydrophobicContact CG-CB 4.4Å; P150-L154 HydrophobicContact CG-CD2 4.32Å; K152-L154 PolarHBondContact O-N 3.09Å; L154-Q156 HydrophobicContact CD2-CB 4.43Å; L154-Q156 HydrophobicContact CG-CB 4.23Å; L154-Q156 PolarHBondContact O-N 3.37Å; L154-Q156 VanDerWaalsContact O-N 3.16Å; L154-L157 HydrophobicContact CB-CB 4.08Å; L154-L157 HydrophobicContact CD2-CB 4.44Å; L154-L157 HydrophobicContact CG-CB 4.46Å; L154-L157 WeakPolarHBondContact O-CA 3.46Å; L154-L157 VanDerWaalsContact O-CB 3.24Å; L154-L157 WeakPolarHBondContact O-CB 2.99Å; L154-L157 PolarHBondContact O-N 3.13Å | ||
| 155 | K | 92.9 | Very high | 94.2 | Very high | 186 Ų | 186 | 55.3 Ų | 55.3 | 81% | 0.809 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -54.7 | -38.4 | -177.7 | -177 | 179.8 | 177.5 | -179.3 | 0 | 112.4 | L157 E158 | K155-L157 PolarHBondContact O-N 3.18Å; K155-E158 WeakPolarHBondContact O-CB 3.44Å; K155-E158 WeakPolarHBondContact O-CG 3.39Å; K155-E158 PolarHBondContact O-N 2.94Å |
| 156 | Q | 91.5 | Very high | 94 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -63.2 | -24.8 | 177.5 | -63.6 | 90.1 | -34.6 | 0 | 0 | 112.9 | L125 L154 E158 V159 | L125-Q156 HydrophobicContact CB-CB 3.94Å; L125-Q156 HydrophobicContact CB-CG 4.49Å; L125-Q156 HydrophobicContact CD1-CB 3.74Å; L125-Q156 HydrophobicContact CG-CB 4.48Å; L154-Q156 HydrophobicContact CD2-CB 4.43Å; L154-Q156 HydrophobicContact CG-CB 4.23Å; L154-Q156 PolarHBondContact O-N 3.37Å; L154-Q156 VanDerWaalsContact O-N 3.16Å; Q156-E158 VanDerWaalsContact C-N 3.28Å; Q156-E158 PolarHBondContact O-N 3.45Å; Q156-V159 WeakPolarHBondContact O-CG2 3.32Å |
| 157 | L | 93.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -79.5 | -10.2 | 179.3 | -165.9 | 66 | 0 | 0 | 0 | 112.7 | I120 L125 I149 L154 K155 V159 F160 | I120-L157 HydrophobicContact CB-CD1 4.46Å; I120-L157 HydrophobicContact CG2-CD1 3.74Å; L125-L157 HydrophobicContact CD1-CB 4.47Å; L125-L157 HydrophobicContact CD1-CD1 4.31Å; I149-L157 HydrophobicContact CB-CD2 4.06Å; I149-L157 HydrophobicContact CD1-CD2 4.34Å; I149-L157 HydrophobicContact CG2-CD1 3.98Å; I149-L157 HydrophobicContact CG2-CD2 4.15Å; L154-L157 HydrophobicContact CB-CB 4.08Å; L154-L157 HydrophobicContact CD2-CB 4.44Å; L154-L157 HydrophobicContact CG-CB 4.46Å; L154-L157 WeakPolarHBondContact O-CA 3.46Å; L154-L157 VanDerWaalsContact O-CB 3.24Å; L154-L157 WeakPolarHBondContact O-CB 2.99Å; L154-L157 PolarHBondContact O-N 3.13Å; K155-L157 PolarHBondContact O-N 3.18Å; L157-V159 PolarHBondContact O-N 3.09Å; L157-F160 HydrophobicContact CD1-CB 4.28Å; L157-F160 HydrophobicContact CD1-CD2 3.92Å; L157-F160 HydrophobicContact CD1-CG 4.29Å; L157-F160 WeakPolarHBondContact O-CB 3.38Å; L157-F160 PolarHBondContact O-N 3.43Å |
| 158 | E | 93.9 | Very high | 93.6 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -61.6 | -27.2 | 177.3 | -67.7 | -54.4 | 130.7 | 0 | 0 | 112.4 | K155 Q156 F160 A161 | K155-E158 WeakPolarHBondContact O-CB 3.44Å; K155-E158 WeakPolarHBondContact O-CG 3.39Å; K155-E158 PolarHBondContact O-N 2.94Å; Q156-E158 VanDerWaalsContact C-N 3.28Å; Q156-E158 PolarHBondContact O-N 3.45Å; E158-F160 PolarHBondContact O-N 2.88Å; E158-F160 VanDerWaalsContact O-N 3.15Å; E158-A161 WeakPolarHBondContact O-CB 3.29Å; E158-A161 PolarHBondContact O-N 3.29Å |
| 159 | V | 93.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 56% | 0.564 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.8 | 173.7 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | L135 Q156 L157 | L135-V159 HydrophobicContact CD1-CB 4.29Å; L135-V159 HydrophobicContact CD1-CG2 4.08Å; Q156-V159 WeakPolarHBondContact O-CG2 3.32Å; L157-V159 PolarHBondContact O-N 3.09Å |
| 160 | F | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -94.8 | -0.3 | 175.1 | -63.3 | -95.2 | 0 | 0 | 0 | 113 | I120 L125 A134 L135 F138 L157 E158 G162 I163 R164 | I120-F160 HydrophobicContact CD1-CE1 4.22Å; I120-F160 HydrophobicContact CG2-CD2 4.27Å; I120-F160 HydrophobicContact CG2-CE2 3.88Å; I120-F160 HydrophobicContact CG2-CZ 4.02Å; L125-F160 HydrophobicContact CD2-CE2 3.83Å; L125-F160 HydrophobicContact CD2-CZ 4.37Å; A134-F160 HydrophobicContact CB-CE1 4.02Å; A134-F160 HydrophobicContact CB-CZ 3.93Å; L135-F160 HydrophobicContact CD2-CD1 3.63Å; L135-F160 HydrophobicContact CD2-CD2 4.46Å; L135-F160 HydrophobicContact CD2-CE1 3.63Å; L135-F160 HydrophobicContact CD2-CE2 4.45Å; L135-F160 HydrophobicContact CD2-CG 4.06Å; L135-F160 HydrophobicContact CD2-CZ 4.05Å; L135-F160 HydrophobicContact CG-CD1 4.32Å; L135-F160 HydrophobicContact CG-CE1 3.8Å; L135-F160 HydrophobicContact CG-CE2 4.41Å; L135-F160 HydrophobicContact CG-CZ 3.84Å; F138-F160 AromaticContact CD2-CD1 3.9Å; F138-F160 HydrophobicContact CD2-CD1 3.9Å; F138-F160 AromaticContact CD2-CE1 3.77Å; F138-F160 HydrophobicContact CD2-CE1 3.77Å; F138-F160 AromaticContact CE2-CD1 3.87Å; F138-F160 HydrophobicContact CE2-CD1 3.87Å; F138-F160 AromaticContact CE2-CE1 3.76Å; F138-F160 HydrophobicContact CE2-CE1 3.76Å; L157-F160 HydrophobicContact CD1-CB 4.28Å; L157-F160 HydrophobicContact CD1-CD2 3.92Å; L157-F160 HydrophobicContact CD1-CG 4.29Å; L157-F160 WeakPolarHBondContact O-CB 3.38Å; L157-F160 PolarHBondContact O-N 3.43Å; E158-F160 PolarHBondContact O-N 2.88Å; E158-F160 VanDerWaalsContact O-N 3.15Å; F160-G162 PolarHBondContact O-N 2.63Å; F160-I163 HydrophobicContact CD1-CD1 4.33Å; F160-I163 PolarHBondContact O-N 3.03Å; F160-I163 VanDerWaalsContact O-N 3.12Å; F160-R164 HydrophobicContact CB-CG 4.3Å; F160-R164 WeakPolarHBondContact O-CG 3.19Å; F160-R164 PolarHBondContact O-N 3.14Å |
| 161 | A | 93.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 69.8 Ų | 69.8 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E158 I163 R164 H165 | E158-A161 WeakPolarHBondContact O-CB 3.29Å; E158-A161 PolarHBondContact O-N 3.29Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 2.86Å; A161-R164 PolarHBondContact O-N 2.96Å; A161-H165 WeakPolarHBondContact O-CB 3.11Å; A161-H165 PolarHBondContact O-CD2 2.72Å; A161-H165 PolarHBondContact O-N 3.15Å |
| 162 | G | 93.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.8 | -35.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F160 G166 | F160-G162 PolarHBondContact O-N 2.63Å; G162-G166 WeakPolarHBondContact O-CA 3.31Å; G162-G166 PolarHBondContact O-N 3.39Å; G162-G166 VanDerWaalsContact O-N 3.16Å |
| 163 | I | 94.6 | Very high | 94 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73 | -49.8 | 175.5 | -64.9 | 156.6 | 0 | 0 | 0 | 109.8 | H9 F11 L135 F138 F160 A161 H165 G166 A169 | H9-I163 HydrophobicContact CB-CG2 4.35Å; H9-I163 WeakPolarHBondContact ND1-CG2 3.34Å; F11-I163 HydrophobicContact CE2-CG2 4.17Å; F11-I163 HydrophobicContact CZ-CG2 3.9Å; L135-I163 HydrophobicContact CD2-CD1 3.63Å; F138-I163 HydrophobicContact CB-CD1 3.58Å; F138-I163 HydrophobicContact CB-CG1 4.25Å; F138-I163 HydrophobicContact CB-CG2 3.99Å; F138-I163 HydrophobicContact CD1-CG2 3.6Å; F138-I163 HydrophobicContact CD2-CD1 4.41Å; F138-I163 HydrophobicContact CE1-CG2 4.23Å; F138-I163 HydrophobicContact CG-CD1 4.11Å; F138-I163 HydrophobicContact CG-CG2 3.87Å; F160-I163 HydrophobicContact CD1-CD1 4.33Å; F160-I163 PolarHBondContact O-N 3.03Å; F160-I163 VanDerWaalsContact O-N 3.12Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 2.86Å; I163-H165 VanDerWaalsContact C-N 3.29Å; I163-H165 PolarHBondContact O-N 2.9Å; I163-G166 PolarHBondContact O-N 3.34Å; I163-A169 WeakPolarHBondContact O-CB 3.37Å |
| 164 | R | 93.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | -176.8 | -72.2 | -173.3 | -58 | 105.1 | -1.3 | 113.3 | F11 F160 A161 A169 | F11-R164 HydrophobicContact CD1-CG 4.05Å; F11-R164 HydrophobicContact CD2-CG 4.13Å; F11-R164 HydrophobicContact CE1-CG 3.67Å; F11-R164 HydrophobicContact CE2-CB 4.27Å; F11-R164 HydrophobicContact CE2-CG 3.77Å; F11-R164 HydrophobicContact CG-CG 4.26Å; F11-R164 HydrophobicContact CZ-CB 4.45Å; F11-R164 HydrophobicContact CZ-CG 3.52Å; F160-R164 HydrophobicContact CB-CG 4.3Å; F160-R164 WeakPolarHBondContact O-CG 3.19Å; F160-R164 PolarHBondContact O-N 3.14Å; A161-R164 PolarHBondContact O-N 2.96Å; R164-A169 WeakPolarHBondContact O-CB 3.18Å |
| 165 | H | 92.7 | Very high | 94.6 | Very high | 140 Ų | 140 | 62.6 Ų | 62.6 | 65% | 0.648 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.7 | -179.7 | -59.1 | -58.8 | 0 | 0 | 0 | 112.9 | A161 I163 | A161-H165 WeakPolarHBondContact O-CB 3.11Å; A161-H165 PolarHBondContact O-CD2 2.72Å; A161-H165 PolarHBondContact O-N 3.15Å; I163-H165 VanDerWaalsContact C-N 3.29Å; I163-H165 PolarHBondContact O-N 2.9Å |
| 166 | G | 93.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -74.3 | 162.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G162 I163 S168 A169 | G162-G166 WeakPolarHBondContact O-CA 3.31Å; G162-G166 PolarHBondContact O-N 3.39Å; G162-G166 VanDerWaalsContact O-N 3.16Å; I163-G166 PolarHBondContact O-N 3.34Å; G166-S168 PolarHBondContact O-N 3.38Å; G166-A169 PolarHBondContact O-N 3.3Å; G166-A169 VanDerWaalsContact O-N 3.08Å |
| 167 | P | 93 | Very high | 94.7 | Very high | 110 Ų | 110 | 65.4 Ų | 65.4 | 71% | 0.714 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.1 | -175.8 | 27.3 | -35.8 | 0 | 0 | 0 | 113.9 | A169 | P167-A169 VanDerWaalsContact C-N 3.35Š|
| 168 | S | 93.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 67.4 Ų | 67.4 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 4.8 | 177.2 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | Y7 R8 H9 G166 | Y7-S168 CarbonylContact C-O 3.54Å; Y7-S168 WeakPolarHBondContact CA-O 3.24Å; R8-S168 PolarHBondContact N-O 2.81Å; H9-S168 PolarHBondContact N-O 3.39Å; G166-S168 PolarHBondContact O-N 3.38Å |
| 169 | A | 96.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y7 H9 F11 I163 R164 G166 P167 | Y7-A169 VanDerWaalsContact CD1-O 3.3Å; Y7-A169 WeakPolarHBondContact CD1-O 3.24Å; Y7-A169 WeakPolarHBondContact CE1-O 3.09Å; H9-A169 HydrophobicContact CB-CB 4.08Å; H9-A169 CarbonylContact O-C 3.57Å; H9-A169 VanDerWaalsContact O-CA 3.22Å; H9-A169 WeakPolarHBondContact O-CA 3.15Å; F11-A169 HydrophobicContact CD2-CB 4.34Å; F11-A169 HydrophobicContact CE2-CB 4.11Å; I163-A169 WeakPolarHBondContact O-CB 3.37Å; R164-A169 WeakPolarHBondContact O-CB 3.18Å; G166-A169 PolarHBondContact O-N 3.3Å; G166-A169 VanDerWaalsContact O-N 3.08Å; P167-A169 VanDerWaalsContact C-N 3.35Å |
| 170 | K | 97.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.1 | 172.5 | -172.1 | 64.9 | 173.1 | -176.2 | 0 | 109.8 | Y7 H9 L10 F11 F172 | Y7-K170 HydrophobicContact CD1-CB 3.85Å; Y7-K170 HydrophobicContact CD2-CB 3.87Å; Y7-K170 HydrophobicContact CD2-CD 4.45Å; Y7-K170 HydrophobicContact CD2-CG 4.24Å; Y7-K170 HydrophobicContact CE1-CB 4.26Å; Y7-K170 HydrophobicContact CE1-CD 4.32Å; Y7-K170 HydrophobicContact CE2-CB 4.31Å; Y7-K170 HydrophobicContact CE2-CD 4.06Å; Y7-K170 HydrophobicContact CE2-CG 4.32Å; Y7-K170 HydrophobicContact CG-CB 3.63Å; Y7-K170 HydrophobicContact CG-CG 4.48Å; H9-K170 PolarHBondContact O-N 2.76Å; L10-K170 HydrophobicContact CD2-CB 4.12Å; F11-K170 PolarHBondContact N-O 2.97Å; K170-F172 HydrophobicContact CB-CE2 3.95Å; K170-F172 HydrophobicContact CB-CZ 4.25Å; K170-F172 HydrophobicContact CG-CD2 4.22Å; K170-F172 HydrophobicContact CG-CE1 4.05Å; K170-F172 HydrophobicContact CG-CE2 3.56Å; K170-F172 HydrophobicContact CG-CZ 3.47Å; K170-F172 VanDerWaalsContact CG-CZ 3.47Å |
| 171 | L | 97 | Very high | 94.7 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.1 | 172.9 | -177.1 | 64.2 | 0 | 0 | 0 | 110 | F11 T13 I149 | F11-L171 HydrophobicContact CB-CD1 3.56Å; F11-L171 CarbonylContact O-C 3.48Å; F11-L171 WeakPolarHBondContact O-CA 3.41Å; T13-L171 HydrophobicContact CG2-CD1 3.77Å; T13-L171 HydrophobicContact CG2-CD2 4.34Å; T13-L171 HydrophobicContact CG2-CG 4.16Å; I149-L171 HydrophobicContact CD1-CD1 3.83Å; I149-L171 HydrophobicContact CG1-CD1 4.36Å |
| 172 | F | 97.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.6 | 173.8 | -61.3 | -85.7 | 0 | 0 | 0 | 109.2 | L10 F11 I12 T13 K170 T182 T185 V186 | L10-F172 HydrophobicContact CB-CE2 4.21Å; L10-F172 HydrophobicContact CD2-CE2 4.11Å; F11-F172 PolarHBondContact O-N 2.57Å; I12-F172 CarbonylContact C-O 3.52Å; I12-F172 WeakPolarHBondContact CA-O 3.47Å; I12-F172 HydrophobicContact CG1-CB 4.44Å; T13-F172 PolarHBondContact N-O 3.02Å; K170-F172 HydrophobicContact CB-CE2 3.95Å; K170-F172 HydrophobicContact CB-CZ 4.25Å; K170-F172 HydrophobicContact CG-CD2 4.22Å; K170-F172 HydrophobicContact CG-CE1 4.05Å; K170-F172 HydrophobicContact CG-CE2 3.56Å; K170-F172 HydrophobicContact CG-CZ 3.47Å; K170-F172 VanDerWaalsContact CG-CZ 3.47Å; F172-T182 HydrophobicContact CB-CG2 3.79Å; F172-T182 HydrophobicContact CD1-CG2 3.97Å; F172-T182 HydrophobicContact CG-CG2 4.13Å; F172-T185 HydrophobicContact CE1-CG2 3.7Å; F172-T185 HydrophobicContact CZ-CG2 4.41Å; F172-V186 HydrophobicContact CB-CG2 4.48Å; F172-V186 HydrophobicContact CD1-CG2 4.05Å; F172-V186 HydrophobicContact CD2-CG2 3.71Å; F172-V186 HydrophobicContact CE1-CG2 4.16Å; F172-V186 HydrophobicContact CE2-CG2 3.82Å; F172-V186 HydrophobicContact CG-CG2 3.82Å; F172-V186 HydrophobicContact CZ-CG2 4.04Å |
| 173 | E | 97.6 | Very high | 95 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.8 | 171.8 | -174.8 | 173.8 | 174.7 | 0 | 0 | 110 | T13 N178 | T13-E173 HydrophobicContact CG2-CB 4.01Å; T13-E173 HydrophobicContact CG2-CG 4.14Å; T13-E173 WeakPolarHBondContact O-CA 3.34Å; E173-N178 PolarHBondContact O-ND2 3.37Å |
| 174 | I | 96.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.7 | -179.7 | 69.3 | 165.1 | 0 | 0 | 0 | 112.8 | I12 T13 V18 K20 L23 N178 R179 T182 | I12-I174 HydrophobicContact CG2-CD1 4.28Å; I12-I174 HydrophobicContact CG2-CG1 4.33Å; I12-I174 HydrophobicContact CG2-CG2 4.15Å; T13-I174 WeakPolarHBondContact O-CG1 3.44Å; T13-I174 PolarHBondContact O-N 3.11Å; V18-I174 HydrophobicContact CG1-CD1 3.78Å; V18-I174 HydrophobicContact CG1-CG1 3.71Å; V18-I174 HydrophobicContact CG2-CG1 4.49Å; K20-I174 HydrophobicContact CB-CD1 4.31Å; K20-I174 HydrophobicContact CG-CD1 3.88Å; K20-I174 HydrophobicContact CG-CG1 4.23Å; L23-I174 HydrophobicContact CD1-CD1 4.28Å; L23-I174 HydrophobicContact CD1-CG2 3.91Å; I174-N178 VanDerWaalsContact CA-OD1 3.29Å; I174-N178 WeakPolarHBondContact CA-OD1 3.33Å; I174-R179 HydrophobicContact CD1-CG 4.44Å; I174-T182 HydrophobicContact CG2-CG2 3.59Å |
| 175 | T | 96.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | trans | -123.3 | 173.4 | 171.3 | 68 | 0 | 0 | 0 | 0 | 108.6 | Q177 N178 R179 | T175-Q177 PolarHBondContact O-N 3.32Å; T175-Q177 PolarHBondContact OG1-N 3.43Å; T175-Q177 PolarHBondContact OG1-OE1 2.85Å; T175-N178 PolarHBondContact N-OD1 3.24Å; T175-N178 PolarHBondContact O-OD1 2.63Å; T175-N178 PolarHBondContact OG1-N 3.38Å; T175-N178 PolarHBondContact OG1-OD1 3.42Å; T175-R179 WeakPolarHBondContact O-CB 3.46Å; T175-R179 PolarHBondContact O-N 2.91Å | ||
| 176 | K | 91.9 | Very high | 95.5 | Very high | 163 Ų | 163 | 63.8 Ų | 63.8 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.5 | 173.6 | -69.6 | -175.5 | 178.9 | 179.9 | 0 | 111.8 | V18 | V18-K176 HydrophobicContact CG2-CG 4.37Š|
| 177 | Q | 94.5 | Very high | 95.7 | Very high | 167 Ų | 167 | 63.5 Ų | 63.5 | 78% | 0.78 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -35.4 | -173.4 | -67.1 | 74.7 | 12.9 | 0 | 0 | 113 | T175 | T175-Q177 PolarHBondContact O-N 3.32Å; T175-Q177 PolarHBondContact OG1-N 3.43Å; T175-Q177 PolarHBondContact OG1-OE1 2.85Å |
| 178 | N | 96.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.5 | -174.9 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | E173 I174 T175 D180 A181 T182 | E173-N178 PolarHBondContact O-ND2 3.37Å; I174-N178 VanDerWaalsContact CA-OD1 3.29Å; I174-N178 WeakPolarHBondContact CA-OD1 3.33Å; T175-N178 PolarHBondContact N-OD1 3.24Å; T175-N178 PolarHBondContact O-OD1 2.63Å; T175-N178 PolarHBondContact OG1-N 3.38Å; T175-N178 PolarHBondContact OG1-OD1 3.42Å; N178-D180 VanDerWaalsContact C-N 3.32Å; N178-D180 PolarHBondContact O-N 3.15Å; N178-A181 PolarHBondContact O-N 3.45Å; N178-T182 WeakPolarHBondContact O-CB 3.39Å; N178-T182 PolarHBondContact O-N 2.86Å; N178-T182 PolarHBondContact O-OG1 2.84Å |
| 179 | R | 91.8 | Very high | 96 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.2 | -43.9 | -170 | -173 | 179.4 | 64.4 | -173.1 | 0.6 | 112.9 | L23 I174 T175 T182 L183 | L23-R179 HydrophobicContact CB-CG 4.38Å; L23-R179 HydrophobicContact CD1-CG 4.17Å; I174-R179 HydrophobicContact CD1-CG 4.44Å; T175-R179 WeakPolarHBondContact O-CB 3.46Å; T175-R179 PolarHBondContact O-N 2.91Å; R179-T182 PolarHBondContact O-N 2.76Å; R179-L183 PolarHBondContact O-N 3.24Å |
| 180 | D | 92.1 | Very high | 96 | Very high | 92 Ų | 92 | 61 Ų | 61 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.8 | -40.9 | -178 | -65.1 | -35.6 | 0 | 0 | 0 | 112.1 | R26 N178 T182 L183 Q184 | R26-D180 IonicContact CZ-OD1 3.84Å; R26-D180 IonicContact NH1-OD1 3.85Å; R26-D180 PolarHBondContact NH1-OD1 3.4Å; R26-D180 IonicContact NH2-OD1 2.74Å; N178-D180 VanDerWaalsContact C-N 3.32Å; N178-D180 PolarHBondContact O-N 3.15Å; D180-T182 VanDerWaalsContact C-N 3.31Å; D180-T182 PolarHBondContact O-N 2.93Å; D180-L183 WeakPolarHBondContact O-CB 3.37Å; D180-L183 PolarHBondContact O-N 2.81Å; D180-Q184 PolarHBondContact O-N 3.13Å |
| 181 | A | 95.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N178 Q184 T185 | N178-A181 PolarHBondContact O-N 3.45Å; A181-Q184 PolarHBondContact O-N 3.32Å; A181-T185 PolarHBondContact O-N 3.28Å; A181-T185 PolarHBondContact O-OG1 2.91Å; A181-T185 VanDerWaalsContact O-OG1 3.04Å |
| 182 | T | 96.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.8 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L23 F172 I174 N178 R179 D180 Q184 T185 V186 | L23-T182 HydrophobicContact CD1-CG2 4.24Å; F172-T182 HydrophobicContact CB-CG2 3.79Å; F172-T182 HydrophobicContact CD1-CG2 3.97Å; F172-T182 HydrophobicContact CG-CG2 4.13Å; I174-T182 HydrophobicContact CG2-CG2 3.59Å; N178-T182 WeakPolarHBondContact O-CB 3.39Å; N178-T182 PolarHBondContact O-N 2.86Å; N178-T182 PolarHBondContact O-OG1 2.84Å; R179-T182 PolarHBondContact O-N 2.76Å; D180-T182 VanDerWaalsContact C-N 3.31Å; D180-T182 PolarHBondContact O-N 2.93Å; T182-Q184 VanDerWaalsContact C-N 3.29Å; T182-Q184 PolarHBondContact O-N 3.02Å; T182-T185 PolarHBondContact O-N 2.53Å; T182-V186 HydrophobicContact CG2-CG2 3.96Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 2.98Å |
| 183 | L | 97.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.7 | -48.3 | 174 | 174.4 | 61.5 | 0 | 0 | 0 | 111.1 | L23 R26 L27 I30 R179 D180 V186 H187 | L23-L183 HydrophobicContact CD1-CB 4.42Å; L23-L183 HydrophobicContact CD2-CD1 4.05Å; L23-L183 HydrophobicContact CG-CB 4.11Å; L23-L183 HydrophobicContact CG-CD1 4.12Å; R26-L183 HydrophobicContact CB-CD1 4.37Å; R26-L183 HydrophobicContact CB-CD2 3.89Å; L27-L183 HydrophobicContact CB-CD1 3.65Å; L27-L183 HydrophobicContact CD1-CD1 4.18Å; L27-L183 HydrophobicContact CG-CD1 4.42Å; I30-L183 HydrophobicContact CD1-CD1 4.29Å; I30-L183 HydrophobicContact CD1-CD2 4.11Å; I30-L183 HydrophobicContact CD1-CG 4.25Å; R179-L183 PolarHBondContact O-N 3.24Å; D180-L183 WeakPolarHBondContact O-CB 3.37Å; D180-L183 PolarHBondContact O-N 2.81Å; L183-V186 PolarHBondContact O-N 3.39Å; L183-H187 WeakPolarHBondContact O-CB 3.3Å; L183-H187 PolarHBondContact O-N 3.02Å |
| 184 | Q | 96.5 | Very high | 95.5 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 178 | -171.3 | 58.6 | 51 | 0 | 0 | 111.6 | D180 A181 T182 V186 H187 D188 | D180-Q184 PolarHBondContact O-N 3.13Å; A181-Q184 PolarHBondContact O-N 3.32Å; T182-Q184 VanDerWaalsContact C-N 3.29Å; T182-Q184 PolarHBondContact O-N 3.02Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; Q184-V186 PolarHBondContact O-N 2.72Å; Q184-H187 PolarHBondContact NE2-ND1 2.67Å; Q184-H187 WeakPolarHBondContact O-CB 3.33Å; Q184-H187 PolarHBondContact O-N 2.84Å; Q184-D188 PolarHBondContact NE2-OD1 2.86Å; Q184-D188 PolarHBondContact O-N 3.22Å |
| 185 | T | 96.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | F172 A181 T182 D188 C189 | F172-T185 HydrophobicContact CE1-CG2 3.7Å; F172-T185 HydrophobicContact CZ-CG2 4.41Å; A181-T185 PolarHBondContact O-N 3.28Å; A181-T185 PolarHBondContact O-OG1 2.91Å; A181-T185 VanDerWaalsContact O-OG1 3.04Å; T182-T185 PolarHBondContact O-N 2.53Å; T185-D188 PolarHBondContact O-N 3.03Å; T185-C189 PolarHBondContact O-N 2.71Å; T185-C189 PolarHBondContact O-SG 3.18Å |
| 186 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L10 I12 L27 F172 T182 L183 Q184 D188 C189 V190 | L10-V186 HydrophobicContact CD1-CG1 3.96Å; I12-V186 HydrophobicContact CG1-CG2 4.42Å; L27-V186 HydrophobicContact CD2-CB 4.29Å; L27-V186 HydrophobicContact CD2-CG1 3.4Å; L27-V186 VanDerWaalsContact CD2-CG1 3.4Å; F172-V186 HydrophobicContact CB-CG2 4.48Å; F172-V186 HydrophobicContact CD1-CG2 4.05Å; F172-V186 HydrophobicContact CD2-CG2 3.71Å; F172-V186 HydrophobicContact CE1-CG2 4.16Å; F172-V186 HydrophobicContact CE2-CG2 3.82Å; F172-V186 HydrophobicContact CG-CG2 3.82Å; F172-V186 HydrophobicContact CZ-CG2 4.04Å; T182-V186 HydrophobicContact CG2-CG2 3.96Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 2.98Å; L183-V186 PolarHBondContact O-N 3.39Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; Q184-V186 PolarHBondContact O-N 2.72Å; V186-D188 PolarHBondContact O-N 2.83Å; V186-C189 WeakPolarHBondContact O-CB 3.37Å; V186-C189 PolarHBondContact O-N 3.36Å; V186-V190 WeakPolarHBondContact O-CG2 3.47Å; V186-V190 PolarHBondContact O-N 3.24Å |
| 187 | H | 97.5 | Very high | 95 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 175 | 174.4 | -110.4 | 0 | 0 | 0 | 112.4 | L27 I30 E34 L183 Q184 C189 V190 R191 | L27-H187 HydrophobicContact CD1-CB 3.78Å; I30-H187 WeakPolarHBondContact CG2-NE2 3.38Å; E34-H187 IonicContact OE1-CE1 2.74Å; E34-H187 PolarHBondContact OE1-CE1 2.79Å; E34-H187 IonicContact OE1-NE2 2.83Å; E34-H187 PolarHBondContact OE1-NE2 3.18Å; E34-H187 IonicContact OE2-CD2 3.21Å; E34-H187 IonicContact OE2-CE1 3.44Å; E34-H187 IonicContact OE2-NE2 3.74Å; E34-H187 PolarHBondContact OE2-NE2 2.81Å; L183-H187 WeakPolarHBondContact O-CB 3.3Å; L183-H187 PolarHBondContact O-N 3.02Å; Q184-H187 PolarHBondContact NE2-ND1 2.67Å; Q184-H187 WeakPolarHBondContact O-CB 3.33Å; Q184-H187 PolarHBondContact O-N 2.84Å; H187-C189 VanDerWaalsContact C-N 3.29Å; H187-C189 PolarHBondContact O-N 2.89Å; H187-V190 WeakPolarHBondContact O-CB 3.46Å; H187-V190 PolarHBondContact O-N 2.93Å; H187-V190 VanDerWaalsContact O-N 3.13Å; H187-R191 WeakPolarHBondContact CE1-CD 3.49Å; H187-R191 PolarHBondContact O-N 2.92Å |
| 188 | D | 96.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.4 | -63.1 | -22.5 | 0 | 0 | 0 | 111.6 | Q184 T185 V186 R191 K192 | Q184-D188 PolarHBondContact NE2-OD1 2.86Å; Q184-D188 PolarHBondContact O-N 3.22Å; T185-D188 PolarHBondContact O-N 3.03Å; V186-D188 PolarHBondContact O-N 2.83Å; D188-R191 PolarHBondContact O-N 2.85Å; D188-K192 WeakPolarHBondContact O-CB 3.26Å; D188-K192 PolarHBondContact O-N 3.32Å |
| 189 | C | 96.9 | Very high | 94 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 14% | 0.142 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.4 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | L10 T185 V186 H187 K192 A193 | L10-C189 HydrophobicContact CD1-CB 3.87Å; L10-C189 HydrophobicContact CD2-CB 3.97Å; T185-C189 PolarHBondContact O-N 2.71Å; T185-C189 PolarHBondContact O-SG 3.18Å; V186-C189 WeakPolarHBondContact O-CB 3.37Å; V186-C189 PolarHBondContact O-N 3.36Å; H187-C189 VanDerWaalsContact C-N 3.29Å; H187-C189 PolarHBondContact O-N 2.89Å; C189-K192 PolarHBondContact O-N 2.83Å; C189-A193 WeakPolarHBondContact O-CB 3.15Å; C189-A193 PolarHBondContact O-N 2.82Å |
| 190 | V | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 110 | L10 L31 V114 I146 V186 H187 K192 A193 I194 | L10-V190 HydrophobicContact CD1-CG2 3.48Å; L10-V190 VanDerWaalsContact CD1-CG2 3.48Å; L31-V190 HydrophobicContact CD1-CG1 4.23Å; L31-V190 HydrophobicContact CD2-CB 4.42Å; L31-V190 HydrophobicContact CD2-CG1 3.77Å; V114-V190 HydrophobicContact CG1-CG1 4.45Å; V114-V190 HydrophobicContact CG2-CG1 3.93Å; I146-V190 HydrophobicContact CD1-CG2 3.84Å; I146-V190 HydrophobicContact CG1-CG2 4.19Å; V186-V190 WeakPolarHBondContact O-CG2 3.47Å; V186-V190 PolarHBondContact O-N 3.24Å; H187-V190 WeakPolarHBondContact O-CB 3.46Å; H187-V190 PolarHBondContact O-N 2.93Å; H187-V190 VanDerWaalsContact O-N 3.13Å; V190-K192 VanDerWaalsContact C-N 3.35Å; V190-K192 PolarHBondContact O-N 2.89Å; V190-A193 PolarHBondContact O-N 2.88Å; V190-A193 VanDerWaalsContact O-N 3.16Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.23Å; V190-I194 PolarHBondContact O-N 3.38Å |
| 191 | R | 95.2 | Very high | 91.6 | Very high | 123 Ų | 123 | 48.3 Ų | 48.3 | 46% | 0.464 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 178.9 | -71.6 | -168.1 | 65.4 | 124.6 | 4.4 | 112.6 | E34 H187 D188 A193 I194 A195 | E34-R191 VanDerWaalsContact CD-NH1 3.28Å; E34-R191 IonicContact OE1-CZ 2.85Å; E34-R191 IonicContact OE1-NH1 3.87Å; E34-R191 PolarHBondContact OE1-NH1 3.23Å; E34-R191 IonicContact OE2-NH1 2.72Å; H187-R191 WeakPolarHBondContact CE1-CD 3.49Å; H187-R191 PolarHBondContact O-N 2.92Å; D188-R191 PolarHBondContact O-N 2.85Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.12Å; R191-I194 PolarHBondContact O-N 3.06Å; R191-A195 WeakPolarHBondContact O-CB 3.03Å; R191-A195 PolarHBondContact O-N 3.15Å |
| 192 | K | 94.9 | Very high | 89.7 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.3 | -165.8 | -177 | -171.9 | -175.5 | 0 | 111.3 | D2 N5 F6 D188 C189 V190 A196 | D2-K192 IonicContact OD2-NZ 3.19Å; D2-K192 PolarHBondContact OD2-NZ 2.79Å; N5-K192 VanDerWaalsContact O-CE 3.27Å; N5-K192 WeakPolarHBondContact O-CE 3.36Å; N5-K192 PolarHBondContact O-NZ 3.06Å; F6-K192 HydrophobicContact CB-CD 4.26Å; F6-K192 HydrophobicContact CB-CG 4.07Å; D188-K192 WeakPolarHBondContact O-CB 3.26Å; D188-K192 PolarHBondContact O-N 3.32Å; C189-K192 PolarHBondContact O-N 2.83Å; V190-K192 VanDerWaalsContact C-N 3.35Å; V190-K192 PolarHBondContact O-N 2.89Å; K192-A196 WeakPolarHBondContact O-CB 3.27Å; K192-A196 PolarHBondContact O-N 2.76Å |
| 193 | A | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F6 Y7 I144 C189 V190 R191 A195 A196 L197 | F6-A193 HydrophobicContact CD2-CB 3.78Å; Y7-A193 WeakPolarHBondContact O-CB 3.43Å; I144-A193 HydrophobicContact CD1-CB 3.66Å; I144-A193 HydrophobicContact CG1-CB 3.97Å; C189-A193 WeakPolarHBondContact O-CB 3.15Å; C189-A193 PolarHBondContact O-N 2.82Å; V190-A193 PolarHBondContact O-N 2.88Å; V190-A193 VanDerWaalsContact O-N 3.16Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.12Å; A193-A195 PolarHBondContact O-N 2.99Å; A193-A196 PolarHBondContact O-N 3.06Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.45Å; A193-L197 PolarHBondContact O-N 3.03Å |
| 194 | I | 93.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.046 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.4 | -49.8 | 174.2 | -74.3 | 175 | 0 | 0 | 0 | 110.4 | I36 V114 I144 V190 R191 A196 L197 G198 F199 T201 | I36-I194 HydrophobicContact CB-CD1 4.46Å; I36-I194 HydrophobicContact CD1-CD1 3.58Å; I36-I194 HydrophobicContact CG1-CD1 3.95Å; I36-I194 HydrophobicContact CG2-CD1 3.67Å; V114-I194 HydrophobicContact CG2-CD1 4.15Å; V114-I194 HydrophobicContact CG2-CG1 4.48Å; I144-I194 HydrophobicContact CD1-CB 4.38Å; I144-I194 HydrophobicContact CD1-CG1 3.51Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.23Å; V190-I194 PolarHBondContact O-N 3.38Å; R191-I194 PolarHBondContact O-N 3.06Å; I194-A196 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 3.03Å; I194-G198 PolarHBondContact O-N 3.23Å; I194-F199 HydrophobicContact CB-CB 4.27Å; I194-F199 HydrophobicContact CG1-CB 4.46Å; I194-F199 HydrophobicContact CG1-CD2 3.9Å; I194-F199 HydrophobicContact CG1-CG 4.41Å; I194-F199 HydrophobicContact CG2-CB 3.65Å; I194-F199 HydrophobicContact CG2-CG 4.44Å; I194-F199 PolarHBondContact O-N 2.8Å; I194-F199 VanDerWaalsContact O-N 3.12Å; I194-T201 HydrophobicContact CG2-CG2 4.26Å |
| 195 | A | 92.5 | Very high | 88.5 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | R191 A193 L197 G198 | R191-A195 WeakPolarHBondContact O-CB 3.03Å; R191-A195 PolarHBondContact O-N 3.15Å; A193-A195 PolarHBondContact O-N 2.99Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 3.43Å; A195-G198 PolarHBondContact O-N 2.87Å |
| 196 | A | 91.9 | Very high | 88 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.5 | -27.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F6 K192 A193 I194 | F6-A196 HydrophobicContact CB-CB 4.35Å; F6-A196 HydrophobicContact CD1-CB 3.27Å; F6-A196 HydrophobicContact CD2-CB 4.03Å; F6-A196 HydrophobicContact CE1-CB 3.38Å; F6-A196 HydrophobicContact CE2-CB 4.09Å; F6-A196 HydrophobicContact CG-CB 3.62Å; F6-A196 HydrophobicContact CZ-CB 3.78Å; K192-A196 WeakPolarHBondContact O-CB 3.27Å; K192-A196 PolarHBondContact O-N 2.76Å; A193-A196 PolarHBondContact O-N 3.06Å; I194-A196 PolarHBondContact O-N 2.89Å |
| 197 | L | 89.5 | Confident | 87.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -92.9 | -2.7 | 178.5 | -66.4 | 172.4 | 0 | 0 | 0 | 113.4 | F6 R8 S142 I144 A193 I194 A195 F199 | F6-L197 HydrophobicContact CE2-CD1 4.16Å; F6-L197 HydrophobicContact CE2-CD2 3.89Å; F6-L197 HydrophobicContact CE2-CG 3.79Å; F6-L197 HydrophobicContact CZ-CD2 3.89Å; F6-L197 HydrophobicContact CZ-CG 4.16Å; R8-L197 HydrophobicContact CG-CD1 4.32Å; S142-L197 WeakPolarHBondContact O-CD1 3.28Å; I144-L197 HydrophobicContact CD1-CD1 4.08Å; I144-L197 HydrophobicContact CG1-CD1 3.69Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.45Å; A193-L197 PolarHBondContact O-N 3.03Å; I194-L197 PolarHBondContact O-N 3.03Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 3.43Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 HydrophobicContact CB-CD1 3.86Å; L197-F199 HydrophobicContact CB-CE1 3.9Å; L197-F199 HydrophobicContact CD1-CE1 4.22Å; L197-F199 PolarHBondContact O-N 3.12Å |
| 198 | G | 86.6 | Confident | 86.7 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 31.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I194 A195 | I194-G198 PolarHBondContact O-N 3.23Å; A195-G198 PolarHBondContact O-N 2.87Å |
| 199 | F | 83.3 | Confident | 86 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 136 | 172.1 | -80.9 | 24.2 | 0 | 0 | 0 | 108.7 | N112 S142 I144 I194 L197 T201 | N112-F199 HydrophobicContact CB-CB 4.14Å; N112-F199 HydrophobicContact CB-CD1 3.68Å; N112-F199 HydrophobicContact CB-CD2 3.79Å; N112-F199 HydrophobicContact CB-CE1 3.96Å; N112-F199 HydrophobicContact CB-CE2 4.07Å; N112-F199 HydrophobicContact CB-CG 3.59Å; N112-F199 HydrophobicContact CB-CZ 4.15Å; N112-F199 WeakPolarHBondContact O-CD2 3.24Å; N112-F199 VanDerWaalsContact O-CE2 3.23Å; N112-F199 WeakPolarHBondContact O-CE2 3.5Å; S142-F199 VanDerWaalsContact O-CE1 3.27Å; S142-F199 WeakPolarHBondContact O-CE1 3.2Å; S142-F199 VanDerWaalsContact O-CZ 3.22Å; S142-F199 WeakPolarHBondContact O-CZ 3.25Å; I144-F199 HydrophobicContact CD1-CD2 4.28Å; I144-F199 HydrophobicContact CD1-CE2 3.83Å; I144-F199 HydrophobicContact CD1-CZ 4.11Å; I144-F199 HydrophobicContact CG1-CE2 4.33Å; I144-F199 HydrophobicContact CG1-CZ 4.25Å; I194-F199 HydrophobicContact CB-CB 4.27Å; I194-F199 HydrophobicContact CG1-CB 4.46Å; I194-F199 HydrophobicContact CG1-CD2 3.9Å; I194-F199 HydrophobicContact CG1-CG 4.41Å; I194-F199 HydrophobicContact CG2-CB 3.65Å; I194-F199 HydrophobicContact CG2-CG 4.44Å; I194-F199 PolarHBondContact O-N 2.8Å; I194-F199 VanDerWaalsContact O-N 3.12Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 HydrophobicContact CB-CD1 3.86Å; L197-F199 HydrophobicContact CB-CE1 3.9Å; L197-F199 HydrophobicContact CD1-CE1 4.22Å; L197-F199 PolarHBondContact O-N 3.12Å; F199-T201 PolarHBondContact O-N 3.13Å; F199-T201 VanDerWaalsContact O-N 3.1Å |
| 200 | P | 70.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 118.5 | 177 | 24.7 | -31.9 | 0 | 0 | 0 | 108.7 | N112 | N112-P200 WeakPolarHBondContact ND2-CD 3.4Š|
| 201 | T | 62.7 | Low | 84.2 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -85 | 123.3 | 165.8 | 53.6 | 0 | 0 | 0 | 0 | 107.1 | I194 F199 | I194-T201 HydrophobicContact CG2-CG2 4.26Å; F199-T201 PolarHBondContact O-N 3.13Å; F199-T201 VanDerWaalsContact O-N 3.1Å |
| 202 | G | 55.6 | Low | 83.2 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 100% | 1.32 | 45% | 0.449 | S | S | * | . | trans | -65.9 | 0 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 202 of 202 residues in 144.1 ms
(Link to these results)