| 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 | 69.2 | Low | 93.1 | Very high | 243 Ų | 243 | 106.6 Ų | 106.6 | 100% | 1.197 | 51% | 0.513 | S | S | * | . | 0 | 126.9 | 0 | -69.6 | -179.4 | -167.4 | 0 | 0 | 106.9 | |||||
| 2 | T | 83.3 | Confident | 93.6 | Very high | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | trans | -69.4 | 128.8 | 174.9 | -50.6 | 0 | 0 | 0 | 0 | 108.9 | V327 D329 | T2-V327 HydrophobicContact CG2-CG1 3.33Å; T2-D329 HydrophobicContact CG2-CB 4.18Å; T2-D329 VanDerWaalsContact CG2-CG 3.48Å; T2-D329 WeakPolarHBondContact CG2-OD1 3.19Å | ||
| 3 | K | 92.6 | Very high | 94 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | trans | -87.1 | 137.5 | 177.8 | 176.9 | -174.7 | 175.5 | -169 | 0 | 108.2 | Y5 S328 | K3-Y5 HydrophobicContact CD-CE1 4.18Å; K3-Y5 HydrophobicContact CD-CE2 4.33Å; K3-Y5 VanDerWaalsContact CE-CE1 3.42Å; K3-Y5 PolarHBondContact NZ-OH 2.96Å; K3-S328 PolarHBondContact N-OG 3.05Å; K3-S328 VanDerWaalsContact O-CB 3.28Å; K3-S328 WeakPolarHBondContact O-CB 3.09Å; K3-S328 PolarHBondContact O-N 3.38Å; K3-S328 PolarHBondContact O-OG 3.06Å | ||
| 4 | T | 95.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | B | Isolated β-bridge | trans | -111.8 | 121.2 | 170.6 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | F326 | T4-F326 CarbonylContact C-O 3.51Å; T4-F326 WeakPolarHBondContact CA-O 3.45Å |
| 5 | Y | 96.7 | Very high | 94.6 | Very high | 22 Ų | 22 | 90.3 Ų | 90.3 | 9% | 0.086 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 151 | 175.5 | -69 | -84.9 | 0 | 0 | 0 | 110.5 | K3 R97 V107 E108 F326 | K3-Y5 HydrophobicContact CD-CE1 4.18Å; K3-Y5 HydrophobicContact CD-CE2 4.33Å; K3-Y5 VanDerWaalsContact CE-CE1 3.42Å; K3-Y5 PolarHBondContact NZ-OH 2.96Å; Y5-R97 HydrophobicContact CD1-CG 4.43Å; Y5-V107 HydrophobicContact CD1-CG1 3.83Å; Y5-V107 HydrophobicContact CD2-CB 3.76Å; Y5-V107 HydrophobicContact CD2-CG1 3.88Å; Y5-V107 HydrophobicContact CD2-CG2 3.96Å; Y5-V107 HydrophobicContact CE1-CG1 3.81Å; Y5-V107 HydrophobicContact CE2-CB 3.94Å; Y5-V107 HydrophobicContact CE2-CG1 3.89Å; Y5-V107 HydrophobicContact CG-CB 4.11Å; Y5-V107 HydrophobicContact CG-CG1 3.86Å; Y5-V107 HydrophobicContact CG-CG2 4.03Å; Y5-E108 WeakPolarHBondContact CE2-OE1 2.97Å; Y5-E108 VanDerWaalsContact CZ-OE1 3.3Å; Y5-E108 PolarHBondContact OH-OE1 3.01Å; Y5-F326 WeakPolarHBondContact CD2-O 3.25Å; Y5-F326 PolarHBondContact N-O 3.1Å |
| 6 | R | 96.7 | Very high | 94.9 | Very high | 215 Ų | 215 | 84.6 Ų | 84.6 | 81% | 0.811 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 142 | 173.3 | -66.1 | -174.8 | -179.3 | -177.1 | 0.5 | 110.6 | R97 | R6-R97 WeakPolarHBondContact O-CD 3.41Å; R6-R97 PolarHBondContact O-NH1 3.39Å |
| 7 | L | 97.3 | Very high | 95.2 | Very high | 110 Ų | 110 | 81 Ų | 81 | 58% | 0.576 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -54 | 136.4 | 170.2 | -67.4 | 174.2 | 0 | 0 | 0 | 110.4 | M101 F326 | L7-M101 HydrophobicContact CD2-CG 4.16Å; L7-M101 HydrophobicContact CD2-SD 4.06Å; L7-F326 HydrophobicContact CD2-CD1 4.35Å; L7-F326 HydrophobicContact CD2-CD2 4.19Å; L7-F326 HydrophobicContact CD2-CE1 3.92Å; L7-F326 HydrophobicContact CD2-CE2 3.74Å; L7-F326 HydrophobicContact CD2-CZ 3.61Å |
| 8 | P | 98.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 77.8 Ų | 77.8 | 8% | 0.078 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 154 | 175.9 | 35.3 | -34.7 | 0 | 0 | 0 | 110.8 | Y94 R97 L98 M101 | P8-Y94 HydrophobicContact CB-CD2 4.15Å; P8-Y94 HydrophobicContact CB-CE2 3.9Å; P8-R97 HydrophobicContact CB-CB 4.23Å; P8-R97 HydrophobicContact CG-CB 4.02Å; P8-L98 HydrophobicContact CG-CB 4.3Å; P8-L98 HydrophobicContact CG-CD1 4.26Å; P8-M101 HydrophobicContact CG-CE 3.91Å; P8-M101 HydrophobicContact CG-SD 4.34Å |
| 9 | E | 98 | Very high | 95.5 | Very high | 154 Ų | 154 | 74.5 Ų | 74.5 | 72% | 0.72 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 135.4 | 166.3 | -175.1 | -178.1 | -177.5 | 0 | 0 | 110 | Y94 | E9-Y94 WeakPolarHBondContact O-CE2 3.46Å; E9-Y94 PolarHBondContact O-OH 3.31Å |
| 10 | V | 98.7 | Very high | 95.7 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 122.3 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | T13 I41 L98 M101 L191 | V10-T13 HydrophobicContact CG1-CG2 3.71Å; V10-I41 HydrophobicContact CG2-CG2 3.78Å; V10-L98 HydrophobicContact CG2-CD1 4.36Å; V10-M101 HydrophobicContact CG2-CE 3.82Å; V10-L191 HydrophobicContact CG1-CD1 4.26Å; V10-L191 HydrophobicContact CG1-CD2 3.96Å; V10-L191 HydrophobicContact CG2-CD1 3.87Å |
| 11 | K | 98.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 74.4 Ų | 74.4 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | trans | -98.5 | -28.5 | -175.6 | -66.9 | 175.4 | -178.3 | 178.7 | 0 | 114.3 | Y94 Y195 | K11-Y94 HydrophobicContact CD-CE2 4.41Å; K11-Y94 WeakPolarHBondContact CG-OH 2.79Å; K11-Y195 HydrophobicContact CD-CE2 4.04Å | ||
| 12 | Y | 98.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | trans | -136.8 | 124.7 | -171.1 | -51.7 | -67.3 | 0 | 0 | 0 | 110.4 | F21 L194 Y195 A198 | Y12-F21 HydrophobicContact CD1-CD1 4.29Å; Y12-F21 AromaticContact CD1-CD2 3.9Å; Y12-F21 HydrophobicContact CD1-CD2 3.9Å; Y12-F21 AromaticContact CD1-CE1 3.88Å; Y12-F21 HydrophobicContact CD1-CE1 3.88Å; Y12-F21 AromaticContact CD1-CE2 3.44Å; Y12-F21 HydrophobicContact CD1-CE2 3.44Å; Y12-F21 VanDerWaalsContact CD1-CE2 3.44Å; Y12-F21 HydrophobicContact CD1-CG 4.3Å; Y12-F21 AromaticContact CD1-CZ 3.43Å; Y12-F21 HydrophobicContact CD1-CZ 3.43Å; Y12-F21 VanDerWaalsContact CD1-CZ 3.43Å; Y12-F21 HydrophobicContact CD2-CZ 4.2Å; Y12-F21 HydrophobicContact CE1-CD2 4.16Å; Y12-F21 AromaticContact CE1-CE2 3.59Å; Y12-F21 HydrophobicContact CE1-CE2 3.59Å; Y12-F21 AromaticContact CE1-CZ 3.94Å; Y12-F21 HydrophobicContact CE1-CZ 3.94Å; Y12-F21 AromaticContact CG-CE1 3.88Å; Y12-F21 HydrophobicContact CG-CE1 3.88Å; Y12-F21 HydrophobicContact CG-CE2 4.1Å; Y12-F21 AromaticContact CG-CZ 3.59Å; Y12-F21 HydrophobicContact CG-CZ 3.59Å; Y12-L194 WeakPolarHBondContact O-CD1 3.35Å; Y12-Y195 AromaticContact CD2-CD2 3.77Å; Y12-Y195 HydrophobicContact CD2-CD2 3.77Å; Y12-Y195 AromaticContact CE2-CD2 3.52Å; Y12-Y195 HydrophobicContact CE2-CD2 3.52Å; Y12-Y195 AromaticContact CE2-CE2 3.88Å; Y12-Y195 HydrophobicContact CE2-CE2 3.88Å; Y12-A198 HydrophobicContact CD2-CB 4.08Å; Y12-A198 HydrophobicContact CE1-CB 4.24Å; Y12-A198 HydrophobicContact CE2-CB 3.39Å | ||
| 13 | T | 98.7 | Very high | 98 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | trans | -134 | 3.4 | -179.6 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | V10 C42 H43 V44 Q45 | V10-T13 HydrophobicContact CG1-CG2 3.71Å; T13-C42 HydrophobicContact CG2-CB 4.46Å; T13-H43 WeakPolarHBondContact CB-O 3.34Å; T13-V44 WeakPolarHBondContact O-CA 3.32Å; T13-V44 WeakPolarHBondContact O-CG1 3.21Å; T13-Q45 WeakPolarHBondContact O-CG 3.41Å; T13-Q45 PolarHBondContact O-N 3.16Å | ||
| 14 | Q | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -96.3 | 165.4 | -178.9 | -71.6 | 178.9 | -73.3 | 0 | 0 | 111.5 | F21 V22 D23 Q45 L194 | Q14-F21 HydrophobicContact CB-CB 3.97Å; Q14-F21 HydrophobicContact CB-CD1 4.23Å; Q14-V22 WeakPolarHBondContact CB-O 3.39Å; Q14-D23 PolarHBondContact NE2-OD1 2.88Å; Q14-Q45 HydrophobicContact CB-CG 4.36Å; Q14-Q45 HydrophobicContact CG-CG 4.16Å; Q14-L194 WeakPolarHBondContact O-CD2 3.46Å |
| 15 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 151.3 | 168.8 | -48.4 | -178.3 | 0 | 0 | 0 | 109.2 | F21 V22 Q45 A47 D51 C214 | L15-F21 CarbonylContact O-C 3.58Å; L15-F21 VanDerWaalsContact O-CA 3.25Å; L15-F21 WeakPolarHBondContact O-CA 3.38Å; L15-V22 HydrophobicContact CB-CG2 4.12Å; L15-V22 WeakPolarHBondContact CB-O 3.33Å; L15-V22 PolarHBondContact N-O 2.92Å; L15-V22 PolarHBondContact O-N 3.16Å; L15-Q45 HydrophobicContact CD2-CB 4.01Å; L15-Q45 HydrophobicContact CG-CB 4.03Å; L15-A47 HydrophobicContact CD1-CB 3.93Å; L15-A47 HydrophobicContact CD2-CB 3.86Å; L15-D51 HydrophobicContact CD1-CB 3.75Å; L15-C214 HydrophobicContact CD2-CB 4.36Å |
| 16 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.5 | 176.7 | -176.5 | -94.4 | 0 | 0 | 0 | 110.2 | N19 E20 F21 A197 K201 F210 N211 V212 | F16-N19 VanDerWaalsContact CZ-CA 3.47Å; F16-N19 HydrophobicContact CZ-CB 4.23Å; F16-E20 WeakPolarHBondContact CA-O 3.46Å; F16-F21 HydrophobicContact CB-CD1 4.33Å; F16-F21 HydrophobicContact CB-CE1 4.14Å; F16-F21 HydrophobicContact CD2-CD1 4.12Å; F16-F21 HydrophobicContact CD2-CD2 4.15Å; F16-F21 AromaticContact CD2-CE1 3.82Å; F16-F21 HydrophobicContact CD2-CE1 3.82Å; F16-F21 AromaticContact CD2-CE2 3.85Å; F16-F21 HydrophobicContact CD2-CE2 3.85Å; F16-F21 HydrophobicContact CD2-CG 4.28Å; F16-F21 AromaticContact CD2-CZ 3.68Å; F16-F21 HydrophobicContact CD2-CZ 3.68Å; F16-F21 HydrophobicContact CE2-CE2 4.1Å; F16-F21 HydrophobicContact CE2-CZ 4.22Å; F16-F21 HydrophobicContact CG-CE1 4.44Å; F16-A197 HydrophobicContact CB-CB 3.79Å; F16-A197 HydrophobicContact CD1-CB 3.62Å; F16-A197 HydrophobicContact CD2-CB 3.75Å; F16-A197 HydrophobicContact CE1-CB 4Å; F16-A197 HydrophobicContact CE2-CB 4.11Å; F16-A197 HydrophobicContact CG-CB 3.45Å; F16-A197 VanDerWaalsContact CG-CB 3.45Å; F16-A197 HydrophobicContact CZ-CB 4.2Å; F16-A197 WeakPolarHBondContact CZ-O 3.49Å; F16-K201 HydrophobicContact CE2-CB 4.27Å; F16-K201 HydrophobicContact CZ-CB 4.04Å; F16-F210 WeakPolarHBondContact CE1-O 3.3Å; F16-N211 CarbonylContact O-C 3.55Å; F16-N211 WeakPolarHBondContact O-CA 3.47Å; F16-N211 WeakPolarHBondContact O-CB 3.5Å; F16-V212 HydrophobicContact CB-CB 4.08Å; F16-V212 HydrophobicContact CB-CG2 4.44Å; F16-V212 PolarHBondContact N-O 3.34Å; F16-V212 PolarHBondContact O-N 3.12Å |
| 17 | I | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129 | -177 | -58.4 | 175.8 | 0 | 0 | 0 | 108.5 | N19 E20 V22 K54 A55 A58 I213 | I17-N19 VanDerWaalsContact C-N 3.28Å; I17-N19 PolarHBondContact O-N 3.05Å; I17-E20 PolarHBondContact N-O 2.91Å; I17-E20 PolarHBondContact O-N 2.69Å; I17-V22 HydrophobicContact CB-CG2 4.36Å; I17-V22 HydrophobicContact CD1-CG2 4.2Å; I17-V22 HydrophobicContact CG1-CG2 4.35Å; I17-K54 HydrophobicContact CD1-CB 4.2Å; I17-A55 HydrophobicContact CD1-CB 4.06Å; I17-A55 HydrophobicContact CG1-CB 4.12Å; I17-A58 HydrophobicContact CG2-CB 3.75Å; I17-I213 HydrophobicContact CD1-CG2 4.25Å; I17-I213 HydrophobicContact CG1-CG2 4.37Å |
| 18 | G | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 32.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E20 N211 | G18-E20 PolarHBondContact O-N 2.93Å; G18-N211 PolarHBondContact N-OD1 2.88Å; G18-N211 VanDerWaalsContact N-OD1 3.16Å |
| 19 | N | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 14.8 | -171.8 | -70.4 | -0.2 | 0 | 0 | 0 | 115.7 | F16 I17 K201 F205 P207 | F16-N19 VanDerWaalsContact CZ-CA 3.47Å; F16-N19 HydrophobicContact CZ-CB 4.23Å; I17-N19 VanDerWaalsContact C-N 3.28Å; I17-N19 PolarHBondContact O-N 3.05Å; N19-K201 HydrophobicContact CB-CD 4.37Å; N19-K201 HydrophobicContact CB-CG 4.2Å; N19-K201 VanDerWaalsContact O-CD 3.26Å; N19-K201 WeakPolarHBondContact O-CD 3.39Å; N19-K201 VanDerWaalsContact O-CE 3.22Å; N19-K201 WeakPolarHBondContact O-CE 3.44Å; N19-K201 PolarHBondContact O-NZ 2.9Å; N19-F205 PolarHBondContact ND2-O 3.44Å; N19-P207 HydrophobicContact CB-CB 4.46Å; N19-P207 HydrophobicContact CB-CG 4.48Å |
| 20 | E | 98.8 | Very high | 98.5 | Very high | 105 Ų | 105 | 52.5 Ų | 52.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.4 | 176.9 | -64.9 | -55.8 | 142.6 | 0 | 0 | 111.6 | F16 I17 G18 V22 K201 | F16-E20 WeakPolarHBondContact CA-O 3.46Å; I17-E20 PolarHBondContact N-O 2.91Å; I17-E20 PolarHBondContact O-N 2.69Å; G18-E20 PolarHBondContact O-N 2.93Å; E20-V22 HydrophobicContact CB-CG1 4.27Å; E20-K201 IonicContact OE1-NZ 2.78Å; E20-K201 PolarHBondContact OE1-NZ 2.92Å; E20-K201 IonicContact OE2-NZ 3.57Å; E20-K201 PolarHBondContact OE2-NZ 2.93Å |
| 21 | F | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 18% | 0.18 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.3 | 172.1 | -75.7 | -76.8 | 0 | 0 | 0 | 109 | Y12 Q14 L15 F16 A198 | Y12-F21 HydrophobicContact CD1-CD1 4.29Å; Y12-F21 AromaticContact CD1-CD2 3.9Å; Y12-F21 HydrophobicContact CD1-CD2 3.9Å; Y12-F21 AromaticContact CD1-CE1 3.88Å; Y12-F21 HydrophobicContact CD1-CE1 3.88Å; Y12-F21 AromaticContact CD1-CE2 3.44Å; Y12-F21 HydrophobicContact CD1-CE2 3.44Å; Y12-F21 VanDerWaalsContact CD1-CE2 3.44Å; Y12-F21 HydrophobicContact CD1-CG 4.3Å; Y12-F21 AromaticContact CD1-CZ 3.43Å; Y12-F21 HydrophobicContact CD1-CZ 3.43Å; Y12-F21 VanDerWaalsContact CD1-CZ 3.43Å; Y12-F21 HydrophobicContact CD2-CZ 4.2Å; Y12-F21 HydrophobicContact CE1-CD2 4.16Å; Y12-F21 AromaticContact CE1-CE2 3.59Å; Y12-F21 HydrophobicContact CE1-CE2 3.59Å; Y12-F21 AromaticContact CE1-CZ 3.94Å; Y12-F21 HydrophobicContact CE1-CZ 3.94Å; Y12-F21 AromaticContact CG-CE1 3.88Å; Y12-F21 HydrophobicContact CG-CE1 3.88Å; Y12-F21 HydrophobicContact CG-CE2 4.1Å; Y12-F21 AromaticContact CG-CZ 3.59Å; Y12-F21 HydrophobicContact CG-CZ 3.59Å; Q14-F21 HydrophobicContact CB-CB 3.97Å; Q14-F21 HydrophobicContact CB-CD1 4.23Å; L15-F21 CarbonylContact O-C 3.58Å; L15-F21 VanDerWaalsContact O-CA 3.25Å; L15-F21 WeakPolarHBondContact O-CA 3.38Å; F16-F21 HydrophobicContact CB-CD1 4.33Å; F16-F21 HydrophobicContact CB-CE1 4.14Å; F16-F21 HydrophobicContact CD2-CD1 4.12Å; F16-F21 HydrophobicContact CD2-CD2 4.15Å; F16-F21 AromaticContact CD2-CE1 3.82Å; F16-F21 HydrophobicContact CD2-CE1 3.82Å; F16-F21 AromaticContact CD2-CE2 3.85Å; F16-F21 HydrophobicContact CD2-CE2 3.85Å; F16-F21 HydrophobicContact CD2-CG 4.28Å; F16-F21 AromaticContact CD2-CZ 3.68Å; F16-F21 HydrophobicContact CD2-CZ 3.68Å; F16-F21 HydrophobicContact CE2-CE2 4.1Å; F16-F21 HydrophobicContact CE2-CZ 4.22Å; F16-F21 HydrophobicContact CG-CE1 4.44Å; F21-A198 HydrophobicContact CE2-CB 4.15Å; F21-A198 HydrophobicContact CZ-CB 4.03Å |
| 22 | V | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.3 | -173.1 | -59.6 | 0 | 0 | 0 | 0 | 111 | Q14 L15 I17 E20 | Q14-V22 WeakPolarHBondContact CB-O 3.39Å; L15-V22 HydrophobicContact CB-CG2 4.12Å; L15-V22 WeakPolarHBondContact CB-O 3.33Å; L15-V22 PolarHBondContact N-O 2.92Å; L15-V22 PolarHBondContact O-N 3.16Å; I17-V22 HydrophobicContact CB-CG2 4.36Å; I17-V22 HydrophobicContact CD1-CG2 4.2Å; I17-V22 HydrophobicContact CG1-CG2 4.35Å; E20-V22 HydrophobicContact CB-CG1 4.27Å |
| 23 | D | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -68.1 | 158.5 | 171.3 | -59.8 | -21.4 | 0 | 0 | 0 | 111.1 | Q14 K27 Q45 | Q14-D23 PolarHBondContact NE2-OD1 2.88Å; D23-K27 HydrophobicContact CB-CD 3.84Å; D23-K27 IonicContact OD2-NZ 3.73Å; D23-K27 PolarHBondContact OD2-NZ 3.27Å; D23-Q45 HydrophobicContact CB-CG 4.5Å | ||
| 24 | S | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -62.3 | 151.1 | 168.6 | 62.4 | 0 | 0 | 0 | 0 | 111 | S26 K27 K28 Q45 E46 D51 | S24-S26 PolarHBondContact O-N 2.86Å; S24-S26 PolarHBondContact OG-OG 3Å; S24-K27 WeakPolarHBondContact O-CD 3.32Å; S24-K27 PolarHBondContact O-N 2.85Å; S24-K27 WeakPolarHBondContact OG-CA 3.34Å; S24-K27 PolarHBondContact OG-N 2.98Å; S24-K28 PolarHBondContact OG-N 2.85Å; S24-K28 PolarHBondContact OG-O 2.84Å; S24-K28 VanDerWaalsContact OG-O 3.06Å; S24-Q45 PolarHBondContact OG-OE1 2.81Å; S24-E46 WeakPolarHBondContact CB-O 3.36Å; S24-E46 PolarHBondContact OG-O 3.06Å; S24-D51 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 25 | E | 97.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.9 | 175.3 | -77.1 | -61.8 | 104.8 | 0 | 0 | 112.3 | K27 N50 D51 K54 | E25-K27 PolarHBondContact O-N 2.82Å; E25-N50 HydrophobicContact CB-CB 4.31Å; E25-N50 HydrophobicContact CG-CB 4.12Å; E25-D51 WeakPolarHBondContact CG-OD1 3.14Å; E25-D51 PolarHBondContact N-OD1 3.37Å; E25-K54 HydrophobicContact CG-CD 4.2Å; E25-K54 IonicContact OE1-NZ 3.82Å; E25-K54 PolarHBondContact OE1-NZ 3.41Å; E25-K54 WeakPolarHBondContact OE2-CE 3.4Å; E25-K54 IonicContact OE2-NZ 3.4Å; E25-K54 PolarHBondContact OE2-NZ 2.7Å |
| 26 | S | 97.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.3 | 179 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | S24 K28 | S24-S26 PolarHBondContact O-N 2.86Å; S24-S26 PolarHBondContact OG-OG 3Å; S26-K28 PolarHBondContact O-N 2.9Å; S26-K28 VanDerWaalsContact O-N 3.09Å; S26-K28 WeakPolarHBondContact OG-CB 3.26Å; S26-K28 WeakPolarHBondContact OG-CG 3.31Å; S26-K28 PolarHBondContact OG-N 2.9Å |
| 27 | K | 97.8 | Very high | 98.5 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | trans | 57.6 | 10.2 | -168.9 | -55.5 | -62.9 | -175.6 | -176.6 | 0 | 114.2 | D23 S24 E25 | D23-K27 HydrophobicContact CB-CD 3.84Å; D23-K27 IonicContact OD2-NZ 3.73Å; D23-K27 PolarHBondContact OD2-NZ 3.27Å; S24-K27 WeakPolarHBondContact O-CD 3.32Å; S24-K27 PolarHBondContact O-N 2.85Å; S24-K27 WeakPolarHBondContact OG-CA 3.34Å; S24-K27 PolarHBondContact OG-N 2.98Å; E25-K27 PolarHBondContact O-N 2.82Å | ||
| 28 | K | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | trans | -71.7 | 150 | 174.5 | -68.5 | -179.7 | 179.7 | 178.2 | 0 | 110.1 | S24 S26 E46 | S24-K28 PolarHBondContact OG-N 2.85Å; S24-K28 PolarHBondContact OG-O 2.84Å; S24-K28 VanDerWaalsContact OG-O 3.06Å; S26-K28 PolarHBondContact O-N 2.9Å; S26-K28 VanDerWaalsContact O-N 3.09Å; S26-K28 WeakPolarHBondContact OG-CB 3.26Å; S26-K28 WeakPolarHBondContact OG-CG 3.31Å; S26-K28 PolarHBondContact OG-N 2.9Å; K28-E46 HydrophobicContact CB-CB 4.05Å; K28-E46 PolarHBondContact O-N 3.24Å | ||
| 29 | T | 98.8 | Very high | 98.4 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 36% | 0.356 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.1 | 174 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | V44 | T29-V44 CarbonylContact C-O 3.46Å; T29-V44 WeakPolarHBondContact CA-O 3.17Å; T29-V44 VanDerWaalsContact CB-O 3.25Å; T29-V44 WeakPolarHBondContact CB-O 3.39Å |
| 30 | F | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.9 | 172.9 | 68.1 | -86.3 | 0 | 0 | 0 | 110.2 | H43 V44 E46 E187 P190 C214 Y216 | F30-H43 CarbonylContact O-C 3.59Å; F30-H43 WeakPolarHBondContact O-CA 3.48Å; F30-V44 WeakPolarHBondContact CD1-O 3.44Å; F30-V44 HydrophobicContact CE1-CB 4.07Å; F30-V44 HydrophobicContact CE1-CG1 4.1Å; F30-V44 HydrophobicContact CE2-CB 4.37Å; F30-V44 HydrophobicContact CZ-CB 3.95Å; F30-V44 HydrophobicContact CZ-CG1 4.03Å; F30-V44 PolarHBondContact N-O 3.1Å; F30-V44 PolarHBondContact O-N 2.88Å; F30-E46 HydrophobicContact CD1-CB 3.85Å; F30-E46 HydrophobicContact CD1-CG 4.06Å; F30-E187 HydrophobicContact CE2-CB 4.05Å; F30-E187 VanDerWaalsContact CE2-O 3.3Å; F30-E187 WeakPolarHBondContact CE2-O 3.11Å; F30-E187 HydrophobicContact CZ-CB 4.48Å; F30-P190 HydrophobicContact CE2-CG 4.38Å; F30-P190 HydrophobicContact CZ-CG 4.35Å; F30-C214 HydrophobicContact CE1-CB 4.1Å; F30-C214 HydrophobicContact CZ-CB 4.09Å; F30-Y216 HydrophobicContact CB-CE2 3.99Å; F30-Y216 WeakPolarHBondContact CB-OH 3.34Å; F30-Y216 HydrophobicContact CG-CE2 4.33Å |
| 31 | P | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 141.2 | 178.1 | 31.1 | -33.9 | 0 | 0 | 0 | 110.9 | V40 | P31-V40 HydrophobicContact CB-CB 4.5Å; P31-V40 HydrophobicContact CB-CG1 3.81Å; P31-V40 HydrophobicContact CB-CG2 3.89Å |
| 32 | T | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.4 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | I41 C42 V44 D102 Q188 P190 L191 | T32-I41 HydrophobicContact CG2-CB 4.21Å; T32-I41 PolarHBondContact O-N 2.94Å; T32-C42 PolarHBondContact N-O 3.41Å; T32-V44 HydrophobicContact CG2-CG2 4.22Å; T32-D102 WeakPolarHBondContact CG2-OD1 3.38Å; T32-D102 PolarHBondContact OG1-OD1 3.14Å; T32-Q188 PolarHBondContact OG1-O 3Å; T32-P190 HydrophobicContact CG2-CG 4.49Å; T32-L191 HydrophobicContact CG2-CD1 4.02Å; T32-L191 HydrophobicContact CG2-CD2 4.14Å; T32-L191 HydrophobicContact CG2-CG 4.08Å |
| 33 | I | 98.7 | Very high | 98.4 | Very high | 64 Ų | 64 | 54 Ų | 54 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.5 | -166.6 | -59.3 | 176.7 | 0 | 0 | 0 | 109.2 | P35 E39 | I33-P35 VanDerWaalsContact O-CD 3.25Å; I33-P35 WeakPolarHBondContact O-CD 3.18Å; I33-E39 WeakPolarHBondContact CA-O 3.3Å |
| 34 | N | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 113.2 | 170.2 | -177.8 | -25.9 | 0 | 0 | 0 | 109.3 | T36 T37 E38 E39 I41 | N34-T36 PolarHBondContact O-N 3.39Å; N34-T36 VanDerWaalsContact O-N 3.1Å; N34-T36 WeakPolarHBondContact OD1-CA 3.3Å; N34-T36 WeakPolarHBondContact OD1-CB 3.37Å; N34-T36 PolarHBondContact OD1-N 2.99Å; N34-T36 PolarHBondContact OD1-OG1 3.03Å; N34-T37 PolarHBondContact O-N 2.94Å; N34-T37 VanDerWaalsContact O-N 3.11Å; N34-E38 WeakPolarHBondContact O-CA 3.43Å; N34-E38 PolarHBondContact O-N 3.06Å; N34-E39 PolarHBondContact N-O 3.26Å; N34-I41 HydrophobicContact CB-CD1 3.97Å; N34-I41 HydrophobicContact CB-CG1 3.69Å |
| 35 | P | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.5 | -176.9 | 23.8 | -32.5 | 0 | 0 | 0 | 114.8 | I33 N103 P334 Q335 I336 G369 Y370 | I33-P35 VanDerWaalsContact O-CD 3.25Å; I33-P35 WeakPolarHBondContact O-CD 3.18Å; P35-N103 WeakPolarHBondContact CG-O 3.21Å; P35-P334 HydrophobicContact CB-CB 4.15Å; P35-P334 HydrophobicContact CB-CG 3.74Å; P35-P334 HydrophobicContact CG-CG 3.94Å; P35-P334 WeakPolarHBondContact O-CB 3.43Å; P35-Q335 WeakPolarHBondContact CB-O 3.29Å; P35-I336 WeakPolarHBondContact CB-O 3.32Å; P35-G369 WeakPolarHBondContact O-CA 3.32Å; P35-Y370 HydrophobicContact CB-CD2 3.69Å; P35-Y370 HydrophobicContact CB-CE2 4.18Å; P35-Y370 PolarHBondContact O-N 3.1Å |
| 36 | T | 98.5 | Very high | 98.5 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -35 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | N34 P325 G369 F371 | N34-T36 PolarHBondContact O-N 3.39Å; N34-T36 VanDerWaalsContact O-N 3.1Å; N34-T36 WeakPolarHBondContact OD1-CA 3.3Å; N34-T36 WeakPolarHBondContact OD1-CB 3.37Å; N34-T36 PolarHBondContact OD1-N 2.99Å; N34-T36 PolarHBondContact OD1-OG1 3.03Å; T36-P325 WeakPolarHBondContact OG1-CD 3.38Å; T36-P325 WeakPolarHBondContact OG1-CG 3.39Å; T36-G369 WeakPolarHBondContact O-CA 3.49Å; T36-F371 HydrophobicContact CG2-CE2 4.46Å; T36-F371 HydrophobicContact CG2-CZ 4.04Å |
| 37 | T | 97.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -10.3 | -172.5 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | N34 E39 K368 | N34-T37 PolarHBondContact O-N 2.94Å; N34-T37 VanDerWaalsContact O-N 3.11Å; T37-E39 PolarHBondContact O-N 2.74Å; T37-E39 VanDerWaalsContact O-N 3.15Å; T37-E39 PolarHBondContact OG1-N 2.69Å; T37-K368 WeakPolarHBondContact O-CE 3.49Å |
| 38 | E | 98.1 | Very high | 98.5 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 14.1 | -173.1 | -44.3 | -177.3 | -155.3 | 0 | 0 | 113 | N34 R364 G369 Y370 | N34-E38 WeakPolarHBondContact O-CA 3.43Å; N34-E38 PolarHBondContact O-N 3.06Å; E38-R364 IonicContact OE1-NH2 2.88Å; E38-R364 PolarHBondContact OE1-NH2 3.36Å; E38-G369 PolarHBondContact OE1-N 3.43Å; E38-Y370 HydrophobicContact CG-CE1 3.89Å; E38-Y370 HydrophobicContact CG-CE2 4.34Å |
| 39 | E | 98.3 | Very high | 98.5 | Very high | 109 Ų | 109 | 41.4 Ų | 41.4 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 146.1 | -178.9 | -69.8 | 167.5 | -163.3 | 0 | 0 | 111 | I33 N34 T37 I41 K368 | I33-E39 WeakPolarHBondContact CA-O 3.3Å; N34-E39 PolarHBondContact N-O 3.26Å; T37-E39 PolarHBondContact O-N 2.74Å; T37-E39 VanDerWaalsContact O-N 3.15Å; T37-E39 PolarHBondContact OG1-N 2.69Å; E39-I41 PolarHBondContact O-N 3.05Å; E39-K368 IonicContact OE1-NZ 3.2Å; E39-K368 PolarHBondContact OE1-NZ 2.57Å |
| 40 | V | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 122.8 | 173.6 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | P31 C42 | P31-V40 HydrophobicContact CB-CB 4.5Å; P31-V40 HydrophobicContact CB-CG1 3.81Å; P31-V40 HydrophobicContact CB-CG2 3.89Å; V40-C42 WeakPolarHBondContact CG1-O 3.38Å |
| 41 | I | 98.7 | Very high | 98.5 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 21% | 0.205 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -54.9 | 173.2 | -63.8 | 162.4 | 0 | 0 | 0 | 109 | V10 T32 N34 E39 M101 D102 L191 | V10-I41 HydrophobicContact CG2-CG2 3.78Å; T32-I41 HydrophobicContact CG2-CB 4.21Å; T32-I41 PolarHBondContact O-N 2.94Å; N34-I41 HydrophobicContact CB-CD1 3.97Å; N34-I41 HydrophobicContact CB-CG1 3.69Å; E39-I41 PolarHBondContact O-N 3.05Å; I41-M101 HydrophobicContact CD1-CG 3.9Å; I41-M101 HydrophobicContact CG1-CG 4.15Å; I41-M101 HydrophobicContact CG1-SD 4.49Å; I41-M101 HydrophobicContact CG2-CE 3.59Å; I41-M101 HydrophobicContact CG2-SD 4.08Å; I41-D102 HydrophobicContact CD1-CB 4.3Å; I41-D102 WeakPolarHBondContact CD1-OD1 3.47Å; I41-L191 HydrophobicContact CG2-CD1 4Å |
| 42 | C | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 177.7 | 178.7 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | T13 T32 V40 | T13-C42 HydrophobicContact CG2-CB 4.46Å; T32-C42 PolarHBondContact N-O 3.41Å; V40-C42 WeakPolarHBondContact CG1-O 3.38Å |
| 43 | H | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 42.7 Ų | 42.7 | 47% | 0.472 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.9 | 170.5 | -70.3 | 70 | 0 | 0 | 0 | 109.9 | T13 F30 | T13-H43 WeakPolarHBondContact CB-O 3.34Å; F30-H43 CarbonylContact O-C 3.59Å; F30-H43 WeakPolarHBondContact O-CA 3.48Å |
| 44 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.9 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | T13 T29 F30 T32 E46 P190 L191 L194 C214 | T13-V44 WeakPolarHBondContact O-CA 3.32Å; T13-V44 WeakPolarHBondContact O-CG1 3.21Å; T29-V44 CarbonylContact C-O 3.46Å; T29-V44 WeakPolarHBondContact CA-O 3.17Å; T29-V44 VanDerWaalsContact CB-O 3.25Å; T29-V44 WeakPolarHBondContact CB-O 3.39Å; F30-V44 WeakPolarHBondContact CD1-O 3.44Å; F30-V44 HydrophobicContact CE1-CB 4.07Å; F30-V44 HydrophobicContact CE1-CG1 4.1Å; F30-V44 HydrophobicContact CE2-CB 4.37Å; F30-V44 HydrophobicContact CZ-CB 3.95Å; F30-V44 HydrophobicContact CZ-CG1 4.03Å; F30-V44 PolarHBondContact N-O 3.1Å; F30-V44 PolarHBondContact O-N 2.88Å; T32-V44 HydrophobicContact CG2-CG2 4.22Å; V44-E46 PolarHBondContact O-N 3.3Å; V44-P190 HydrophobicContact CB-CG 4.36Å; V44-P190 HydrophobicContact CG1-CB 4.29Å; V44-P190 HydrophobicContact CG1-CG 4.3Å; V44-P190 HydrophobicContact CG2-CG 3.8Å; V44-L191 HydrophobicContact CG2-CD2 3.75Å; V44-L194 HydrophobicContact CG1-CD1 4.08Å; V44-C214 HydrophobicContact CG1-CB 3.68Å |
| 45 | Q | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.4 | 178.7 | -64.6 | -68.9 | -37.8 | 0 | 0 | 111.1 | T13 Q14 L15 D23 S24 | T13-Q45 WeakPolarHBondContact O-CG 3.41Å; T13-Q45 PolarHBondContact O-N 3.16Å; Q14-Q45 HydrophobicContact CB-CG 4.36Å; Q14-Q45 HydrophobicContact CG-CG 4.16Å; L15-Q45 HydrophobicContact CD2-CB 4.01Å; L15-Q45 HydrophobicContact CG-CB 4.03Å; D23-Q45 HydrophobicContact CB-CG 4.5Å; S24-Q45 PolarHBondContact OG-OE1 2.81Å |
| 46 | E | 98.8 | Very high | 98.6 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | trans | -94.1 | 103.1 | -178.5 | -167.5 | -169.5 | 150.4 | 0 | 0 | 110 | S24 K28 F30 V44 Y216 | S24-E46 WeakPolarHBondContact CB-O 3.36Å; S24-E46 PolarHBondContact OG-O 3.06Å; K28-E46 HydrophobicContact CB-CB 4.05Å; K28-E46 PolarHBondContact O-N 3.24Å; F30-E46 HydrophobicContact CD1-CB 3.85Å; F30-E46 HydrophobicContact CD1-CG 4.06Å; V44-E46 PolarHBondContact O-N 3.3Å; E46-Y216 HydrophobicContact CG-CD2 4.33Å; E46-Y216 HydrophobicContact CG-CE2 4.4Å | ||
| 47 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -70.8 | 134.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L15 D51 I213 C214 T220 | L15-A47 HydrophobicContact CD1-CB 3.93Å; L15-A47 HydrophobicContact CD2-CB 3.86Å; A47-D51 WeakPolarHBondContact CA-OD2 3.25Å; A47-D51 HydrophobicContact CB-CB 3.74Å; A47-I213 HydrophobicContact CB-CB 3.96Å; A47-C214 WeakPolarHBondContact CB-O 3.26Å; A47-C214 PolarHBondContact N-O 3.42Å; A47-T220 HydrophobicContact CB-CG2 3.77Å; A47-T220 PolarHBondContact O-OG1 2.88Å | ||
| 48 | D | 97.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | trans | -112.1 | -167.5 | 168.7 | 71.4 | 28.6 | 0 | 0 | 0 | 112 | N50 D51 V52 | D48-N50 PolarHBondContact O-N 3.34Å; D48-N50 VanDerWaalsContact OD1-CB 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 3.17Å; D48-N50 PolarHBondContact OD1-ND2 2.91Å; D48-D51 PolarHBondContact N-OD2 3.27Å; D48-D51 PolarHBondContact O-N 3.08Å; D48-V52 WeakPolarHBondContact O-CG2 3.5Å; D48-V52 PolarHBondContact O-N 2.99Å | ||
| 49 | Q | 98.3 | Very high | 98.7 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54 | -36 | 178.2 | -179.2 | 68.2 | 67.1 | 0 | 0 | 113.1 | V52 N53 A223 | Q49-V52 PolarHBondContact O-N 2.63Å; Q49-N53 PolarHBondContact NE2-OD1 3.22Å; Q49-N53 PolarHBondContact O-N 2.76Å; Q49-N53 PolarHBondContact O-ND2 3.2Å; Q49-N53 PolarHBondContact O-OD1 3.5Å; Q49-A223 HydrophobicContact CB-CB 4.3Å; Q49-A223 VanDerWaalsContact CD-CB 3.49Å |
| 50 | N | 98.5 | Very high | 98.7 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 47% | 0.465 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.9 | -40.7 | -179.2 | -63 | -48.8 | 0 | 0 | 0 | 111.1 | E25 D48 N53 K54 | E25-N50 HydrophobicContact CB-CB 4.31Å; E25-N50 HydrophobicContact CG-CB 4.12Å; D48-N50 PolarHBondContact O-N 3.34Å; D48-N50 VanDerWaalsContact OD1-CB 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 3.17Å; D48-N50 PolarHBondContact OD1-ND2 2.91Å; N50-N53 WeakPolarHBondContact O-CB 3.49Å; N50-N53 PolarHBondContact O-N 3.08Å; N50-K54 WeakPolarHBondContact O-CG 3.37Å; N50-K54 PolarHBondContact O-N 3Å |
| 51 | D | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 176 | -59.8 | -60.8 | 0 | 0 | 0 | 111.4 | L15 S24 E25 A47 D48 N53 K54 A55 | L15-D51 HydrophobicContact CD1-CB 3.75Å; S24-D51 WeakPolarHBondContact CA-OD1 3.38Å; E25-D51 WeakPolarHBondContact CG-OD1 3.14Å; E25-D51 PolarHBondContact N-OD1 3.37Å; A47-D51 WeakPolarHBondContact CA-OD2 3.25Å; A47-D51 HydrophobicContact CB-CB 3.74Å; D48-D51 PolarHBondContact N-OD2 3.27Å; D48-D51 PolarHBondContact O-N 3.08Å; D51-N53 VanDerWaalsContact C-N 3.34Å; D51-N53 PolarHBondContact O-N 3.3Å; D51-K54 PolarHBondContact O-N 2.72Å; D51-A55 WeakPolarHBondContact O-CB 3.35Å; D51-A55 PolarHBondContact O-N 2.97Å |
| 52 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 171 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | D48 Q49 K54 A55 V56 I213 T220 A223 L224 | D48-V52 WeakPolarHBondContact O-CG2 3.5Å; D48-V52 PolarHBondContact O-N 2.99Å; Q49-V52 PolarHBondContact O-N 2.63Å; V52-K54 VanDerWaalsContact C-N 3.31Å; V52-K54 PolarHBondContact O-N 3.18Å; V52-A55 PolarHBondContact O-N 3.47Å; V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CG2 3.24Å; V52-V56 PolarHBondContact O-N 3.23Å; V52-I213 HydrophobicContact CB-CD1 4.26Å; V52-I213 HydrophobicContact CG2-CD1 3.58Å; V52-T220 HydrophobicContact CG2-CG2 3.8Å; V52-A223 HydrophobicContact CB-CB 4.26Å; V52-A223 HydrophobicContact CG1-CB 4.26Å; V52-A223 HydrophobicContact CG2-CB 3.9Å; V52-L224 HydrophobicContact CG1-CB 4.1Å; V52-L224 HydrophobicContact CG1-CD1 4.04Å; V52-L224 HydrophobicContact CG2-CB 4.46Å |
| 53 | N | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 179.4 | -64 | -14.9 | 0 | 0 | 0 | 111.2 | Q49 N50 D51 V56 E57 H227 | Q49-N53 PolarHBondContact NE2-OD1 3.22Å; Q49-N53 PolarHBondContact O-N 2.76Å; Q49-N53 PolarHBondContact O-ND2 3.2Å; Q49-N53 PolarHBondContact O-OD1 3.5Å; N50-N53 WeakPolarHBondContact O-CB 3.49Å; N50-N53 PolarHBondContact O-N 3.08Å; D51-N53 VanDerWaalsContact C-N 3.34Å; D51-N53 PolarHBondContact O-N 3.3Å; N53-V56 PolarHBondContact O-N 3.37Å; N53-E57 WeakPolarHBondContact O-CB 3.48Å; N53-E57 WeakPolarHBondContact O-CG 3.43Å; N53-E57 PolarHBondContact O-N 3.44Å; N53-H227 PolarHBondContact OD1-CD2 2.96Å; N53-H227 PolarHBondContact OD1-NE2 3.11Å |
| 54 | K | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.6 | -71.8 | -177.1 | -177.8 | -157.1 | 0 | 112.5 | I17 E25 N50 D51 V52 E57 A58 | I17-K54 HydrophobicContact CD1-CB 4.2Å; E25-K54 HydrophobicContact CG-CD 4.2Å; E25-K54 IonicContact OE1-NZ 3.82Å; E25-K54 PolarHBondContact OE1-NZ 3.41Å; E25-K54 WeakPolarHBondContact OE2-CE 3.4Å; E25-K54 IonicContact OE2-NZ 3.4Å; E25-K54 PolarHBondContact OE2-NZ 2.7Å; N50-K54 WeakPolarHBondContact O-CG 3.37Å; N50-K54 PolarHBondContact O-N 3Å; D51-K54 PolarHBondContact O-N 2.72Å; V52-K54 VanDerWaalsContact C-N 3.31Å; V52-K54 PolarHBondContact O-N 3.18Å; K54-E57 PolarHBondContact O-N 2.88Å; K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.78Å |
| 55 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I17 D51 V52 A58 A59 V182 N211 I213 | I17-A55 HydrophobicContact CD1-CB 4.06Å; I17-A55 HydrophobicContact CG1-CB 4.12Å; D51-A55 WeakPolarHBondContact O-CB 3.35Å; D51-A55 PolarHBondContact O-N 2.97Å; V52-A55 PolarHBondContact O-N 3.47Å; A55-A58 PolarHBondContact O-N 3.01Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.21Å; A55-V182 HydrophobicContact CB-CG1 3.94Å; A55-V182 HydrophobicContact CB-CG2 4.31Å; A55-N211 HydrophobicContact CB-CB 4.18Å; A55-I213 HydrophobicContact CB-CD1 4.44Å; A55-I213 HydrophobicContact CB-CG2 3.75Å |
| 56 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | V52 N53 A59 K60 V153 V182 L224 H227 D229 V230 | V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CG2 3.24Å; V52-V56 PolarHBondContact O-N 3.23Å; N53-V56 PolarHBondContact O-N 3.37Å; V56-A59 PolarHBondContact O-N 2.92Å; V56-K60 VanDerWaalsContact O-CB 3.24Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 PolarHBondContact O-N 2.99Å; V56-V153 HydrophobicContact CG1-CG1 4.35Å; V56-V182 HydrophobicContact CG2-CG2 4.15Å; V56-L224 HydrophobicContact CG2-CD1 3.91Å; V56-H227 VanDerWaalsContact CG1-CE1 3.42Å; V56-H227 WeakPolarHBondContact CG1-CE1 3.44Å; V56-D229 HydrophobicContact CG1-CB 3.75Å; V56-V230 HydrophobicContact CG2-CG2 4.03Å |
| 57 | E | 98.9 | Very high | 98.6 | Very high | 91 Ų | 91 | 48.5 Ų | 48.5 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.6 | -78.1 | -62.8 | 133.3 | 0 | 0 | 112 | N53 K54 K60 A61 | N53-E57 WeakPolarHBondContact O-CB 3.48Å; N53-E57 WeakPolarHBondContact O-CG 3.43Å; N53-E57 PolarHBondContact O-N 3.44Å; K54-E57 PolarHBondContact O-N 2.88Å; E57-K60 PolarHBondContact O-N 3.27Å; E57-K60 WeakPolarHBondContact OE1-CD 3.39Å; E57-K60 IonicContact OE1-NZ 3.67Å; E57-K60 PolarHBondContact OE1-NZ 3.12Å; E57-A61 WeakPolarHBondContact O-CB 3.34Å; E57-A61 PolarHBondContact O-N 3.15Å |
| 58 | A | 98.9 | Very high | 98.6 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I17 K54 A55 K60 A61 A62 | I17-A58 HydrophobicContact CG2-CB 3.75Å; K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.78Å; A55-A58 PolarHBondContact O-N 3.01Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.26Å; A58-A61 PolarHBondContact O-N 2.83Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.35Å |
| 59 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A55 V56 F63 V153 T180 V182 G208 | A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.21Å; V56-A59 PolarHBondContact O-N 2.92Å; A59-F63 WeakPolarHBondContact O-CB 3.45Å; A59-F63 PolarHBondContact O-N 3.48Å; A59-V153 HydrophobicContact CB-CB 4.47Å; A59-V153 HydrophobicContact CB-CG1 3.8Å; A59-V153 HydrophobicContact CB-CG2 3.92Å; A59-T180 WeakPolarHBondContact O-CB 3.33Å; A59-T180 WeakPolarHBondContact O-CG2 3.17Å; A59-T180 PolarHBondContact O-OG1 2.74Å; A59-V182 HydrophobicContact CB-CG2 3.96Å; A59-G208 VanDerWaalsContact CA-O 3.26Å; A59-G208 WeakPolarHBondContact CA-O 3.47Å |
| 60 | K | 98.6 | Very high | 98.7 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 178.2 | -177.6 | 179 | 172.1 | -172.6 | 0 | 111.9 | V56 E57 A58 F63 K64 V153 D229 | V56-K60 VanDerWaalsContact O-CB 3.24Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 PolarHBondContact O-N 2.99Å; E57-K60 PolarHBondContact O-N 3.27Å; E57-K60 WeakPolarHBondContact OE1-CD 3.39Å; E57-K60 IonicContact OE1-NZ 3.67Å; E57-K60 PolarHBondContact OE1-NZ 3.12Å; A58-K60 VanDerWaalsContact C-N 3.33Å; A58-K60 PolarHBondContact O-N 3.26Å; K60-F63 CarbonylContact O-C 3.46Å; K60-F63 PolarHBondContact O-N 2.88Å; K60-F63 VanDerWaalsContact O-N 3.15Å; K60-K64 PolarHBondContact O-N 3.03Å; K60-K64 VanDerWaalsContact O-N 3.1Å; K60-V153 HydrophobicContact CB-CG2 4.21Å; K60-D229 HydrophobicContact CD-CB 4.24Å; K60-D229 WeakPolarHBondContact CE-OD1 3.44Å; K60-D229 IonicContact NZ-OD1 3.37Å; K60-D229 PolarHBondContact NZ-OD1 2.88Å; K60-D229 IonicContact NZ-OD2 2.65Å; K60-D229 PolarHBondContact NZ-OD2 2.92Å |
| 61 | A | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 51.1 Ų | 51.1 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E57 A58 F63 K64 | E57-A61 WeakPolarHBondContact O-CB 3.34Å; E57-A61 PolarHBondContact O-N 3.15Å; A58-A61 PolarHBondContact O-N 2.83Å; A61-F63 PolarHBondContact O-N 3.45Å; A61-K64 WeakPolarHBondContact O-CB 3.36Å; A61-K64 PolarHBondContact O-N 2.87Å |
| 62 | A | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -30.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A58 S67 T180 P207 V209 | A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.35Å; A62-S67 WeakPolarHBondContact O-CB 3.45Å; A62-S67 PolarHBondContact O-OG 3.18Å; A62-T180 HydrophobicContact CB-CG2 3.99Å; A62-P207 WeakPolarHBondContact CB-O 3.42Å; A62-V209 HydrophobicContact CB-CG2 4.07Å |
| 63 | F | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -86.9 | -3.7 | 178.6 | -164.8 | -103.9 | 0 | 0 | 0 | 114.9 | A59 K60 A61 R70 P150 G152 G178 T180 | A59-F63 WeakPolarHBondContact O-CB 3.45Å; A59-F63 PolarHBondContact O-N 3.48Å; K60-F63 CarbonylContact O-C 3.46Å; K60-F63 PolarHBondContact O-N 2.88Å; K60-F63 VanDerWaalsContact O-N 3.15Å; A61-F63 PolarHBondContact O-N 3.45Å; F63-R70 WeakPolarHBondContact O-CD 3.43Å; F63-R70 WeakPolarHBondContact O-CG 3.25Å; F63-R70 PolarHBondContact O-NH1 2.9Å; F63-P150 HydrophobicContact CE2-CB 3.7Å; F63-P150 HydrophobicContact CE2-CG 3.54Å; F63-P150 HydrophobicContact CZ-CB 3.97Å; F63-P150 HydrophobicContact CZ-CG 3.73Å; F63-G152 VanDerWaalsContact CE1-CA 3.46Å; F63-G152 VanDerWaalsContact CZ-CA 3.47Å; F63-G178 WeakPolarHBondContact CE2-O 3.42Å; F63-T180 HydrophobicContact CB-CG2 3.92Å; F63-T180 HydrophobicContact CD2-CG2 4.2Å |
| 64 | K | 98.6 | Very high | 98.7 | Very high | 153 Ų | 153 | 57.3 Ų | 57.3 | 67% | 0.665 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -59.1 | 139.1 | -177.6 | -172.3 | 178 | 179.1 | 179.9 | 0 | 111.6 | K60 A61 G66 S67 R70 | K60-K64 PolarHBondContact O-N 3.03Å; K60-K64 VanDerWaalsContact O-N 3.1Å; A61-K64 WeakPolarHBondContact O-CB 3.36Å; A61-K64 PolarHBondContact O-N 2.87Å; K64-G66 PolarHBondContact O-N 3.41Å; K64-S67 WeakPolarHBondContact O-CB 3.33Å; K64-S67 PolarHBondContact O-N 3.21Å; K64-S67 PolarHBondContact O-OG 2.93Å; K64-S67 VanDerWaalsContact O-OG 3.06Å; K64-R70 WeakPolarHBondContact O-CG 3.36Å |
| 65 | T | 98 | Very high | 98.7 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 72% | 0.724 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 129.1 | 173.7 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 66 | G | 98 | Very high | 98.7 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K64 | K64-G66 PolarHBondContact O-N 3.41Š|
| 67 | S | 98.7 | Very high | 98.7 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -68.1 | 158.1 | 172.3 | 76 | 0 | 0 | 0 | 0 | 111.5 | A62 K64 W69 R70 T71 | A62-S67 WeakPolarHBondContact O-CB 3.45Å; A62-S67 PolarHBondContact O-OG 3.18Å; K64-S67 WeakPolarHBondContact O-CB 3.33Å; K64-S67 PolarHBondContact O-N 3.21Å; K64-S67 PolarHBondContact O-OG 2.93Å; K64-S67 VanDerWaalsContact O-OG 3.06Å; S67-W69 PolarHBondContact O-N 3.12Å; S67-R70 PolarHBondContact O-N 2.99Å; S67-R70 WeakPolarHBondContact OG-CG 3.36Å; S67-R70 PolarHBondContact OG-N 3.25Å; S67-T71 PolarHBondContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 2.99Å |
| 68 | T | 98.6 | Very high | 98.7 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -48.5 | -44.6 | 174 | -50.9 | 0 | 0 | 0 | 0 | 112 | M72 P206 | T68-M72 WeakPolarHBondContact O-CB 3.31Å; T68-M72 PolarHBondContact O-N 3.21Å; T68-P206 HydrophobicContact CG2-CG 4.11Å |
| 69 | W | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -35.7 | -179.5 | -170.2 | -123.9 | 0 | 0 | 0 | 113.3 | S67 M72 R77 L80 L175 G178 C179 F205 P206 V209 | S67-W69 PolarHBondContact O-N 3.12Å; W69-M72 HydrophobicContact CE3-CE 4.03Å; W69-M72 HydrophobicContact CE3-SD 3.83Å; W69-M72 HydrophobicContact CZ3-CE 4.17Å; W69-M72 HydrophobicContact CZ3-SD 3.62Å; W69-R77 HydrophobicContact CH2-CB 4.27Å; W69-R77 HydrophobicContact CH2-CG 3.73Å; W69-R77 HydrophobicContact CZ2-CG 4.27Å; W69-R77 HydrophobicContact CZ3-CG 3.93Å; W69-L80 HydrophobicContact CZ3-CD1 3.92Å; W69-L175 HydrophobicContact CZ2-CB 4.48Å; W69-L175 HydrophobicContact CZ2-CD2 4.13Å; W69-G178 PolarHBondContact NE1-O 3.49Å; W69-C179 PolarHBondContact NE1-O 2.79Å; W69-F205 AromaticContact CH2-CD1 3.78Å; W69-F205 HydrophobicContact CH2-CD1 3.78Å; W69-F205 AromaticContact CH2-CE1 3.74Å; W69-F205 HydrophobicContact CH2-CE1 3.74Å; W69-F205 AromaticContact CZ3-CD1 3.92Å; W69-F205 HydrophobicContact CZ3-CD1 3.92Å; W69-F205 HydrophobicContact CZ3-CE1 4.22Å; W69-P206 HydrophobicContact CB-CG 4.5Å; W69-P206 HydrophobicContact CE3-CG 4.01Å; W69-V209 HydrophobicContact CB-CG2 3.72Å; W69-V209 HydrophobicContact CD2-CB 4.36Å; W69-V209 HydrophobicContact CD2-CG1 3.8Å; W69-V209 HydrophobicContact CD2-CG2 3.57Å; W69-V209 VanDerWaalsContact CE2-CG1 3.49Å; W69-V209 HydrophobicContact CE3-CG1 4.19Å; W69-V209 HydrophobicContact CE3-CG2 3.98Å; W69-V209 HydrophobicContact CG-CG1 4.32Å; W69-V209 HydrophobicContact CG-CG2 3.45Å; W69-V209 VanDerWaalsContact CG-CG2 3.45Å; W69-V209 HydrophobicContact CH2-CG1 4.08Å; W69-V209 HydrophobicContact CZ2-CG1 3.66Å; W69-V209 HydrophobicContact CZ3-CG1 4.31Å |
| 70 | R | 98.5 | Very high | 98.7 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -80.9 | -25.8 | -178.4 | -69.7 | -62.6 | -56.2 | -75.9 | -1 | 113.7 | F63 K64 S67 | F63-R70 WeakPolarHBondContact O-CD 3.43Å; F63-R70 WeakPolarHBondContact O-CG 3.25Å; F63-R70 PolarHBondContact O-NH1 2.9Å; K64-R70 WeakPolarHBondContact O-CG 3.36Å; S67-R70 PolarHBondContact O-N 2.99Å; S67-R70 WeakPolarHBondContact OG-CG 3.36Å; S67-R70 PolarHBondContact OG-N 3.25Å |
| 71 | T | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -98.2 | -7.7 | 177.7 | 60 | 0 | 0 | 0 | 0 | 113.3 | S67 | S67-T71 PolarHBondContact O-N 3.16Å; S67-T71 PolarHBondContact O-OG1 2.99Å |
| 72 | M | 98.7 | Very high | 98.7 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 18% | 0.177 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -62 | 138 | 174.2 | 179.2 | 179 | -67.1 | 0 | 0 | 111 | T68 W69 E76 R77 L80 P206 | T68-M72 WeakPolarHBondContact O-CB 3.31Å; T68-M72 PolarHBondContact O-N 3.21Å; W69-M72 HydrophobicContact CE3-CE 4.03Å; W69-M72 HydrophobicContact CE3-SD 3.83Å; W69-M72 HydrophobicContact CZ3-CE 4.17Å; W69-M72 HydrophobicContact CZ3-SD 3.62Å; M72-E76 HydrophobicContact CG-CB 3.71Å; M72-E76 HydrophobicContact CG-CG 3.93Å; M72-E76 HydrophobicContact SD-CB 4.22Å; M72-E76 HydrophobicContact SD-CG 4.06Å; M72-R77 HydrophobicContact CG-CG 4.25Å; M72-R77 HydrophobicContact SD-CG 3.79Å; M72-L80 HydrophobicContact CE-CD1 3.79Å; M72-L80 HydrophobicContact SD-CD1 3.71Å; M72-P206 HydrophobicContact CE-CG 4.11Å |
| 73 | D | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | trans | -59 | 143.9 | 174.1 | -69.2 | -31.4 | 0 | 0 | 0 | 111.1 | S75 E76 R77 | D73-S75 PolarHBondContact O-N 3Å; D73-E76 HydrophobicContact CB-CB 4.25Å; D73-E76 PolarHBondContact O-N 3.28Å; D73-E76 VanDerWaalsContact O-N 3.08Å; D73-R77 PolarHBondContact O-N 3.42Å | ||
| 74 | A | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 28% | 0.281 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R77 G78 A128 D129 | A74-R77 PolarHBondContact O-N 3.28Å; A74-G78 PolarHBondContact O-N 2.94Å; A74-A128 VanDerWaalsContact O-CB 3.26Å; A74-A128 WeakPolarHBondContact O-CB 3.44Å; A74-D129 HydrophobicContact CB-CB 3.92Å |
| 75 | S | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 54 Ų | 54 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 173.5 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | D73 R77 G78 V79 | D73-S75 PolarHBondContact O-N 3Å; S75-R77 PolarHBondContact O-N 3.29Å; S75-G78 CarbonylContact O-C 3.51Å; S75-G78 VanDerWaalsContact O-CA 3.28Å; S75-G78 WeakPolarHBondContact O-CA 3.47Å; S75-G78 PolarHBondContact O-N 2.96Å; S75-V79 PolarHBondContact O-N 3.36Å |
| 76 | E | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.1 | -33.7 | 179.3 | -169.4 | 60.8 | -155.8 | 0 | 0 | 111.8 | M72 D73 G78 V79 L80 | M72-E76 HydrophobicContact CG-CB 3.71Å; M72-E76 HydrophobicContact CG-CG 3.93Å; M72-E76 HydrophobicContact SD-CB 4.22Å; M72-E76 HydrophobicContact SD-CG 4.06Å; D73-E76 HydrophobicContact CB-CB 4.25Å; D73-E76 PolarHBondContact O-N 3.28Å; D73-E76 VanDerWaalsContact O-N 3.08Å; E76-G78 PolarHBondContact O-N 3.35Å; E76-V79 WeakPolarHBondContact O-CB 3.28Å; E76-V79 PolarHBondContact O-N 3.43Å; E76-V79 VanDerWaalsContact O-N 3.13Å; E76-L80 PolarHBondContact O-N 2.84Å |
| 77 | R | 98.8 | Very high | 98.8 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 167.1 | -63.6 | -162 | -57.6 | -78 | -4.8 | 111.4 | W69 M72 D73 A74 S75 L81 A128 C176 | W69-R77 HydrophobicContact CH2-CB 4.27Å; W69-R77 HydrophobicContact CH2-CG 3.73Å; W69-R77 HydrophobicContact CZ2-CG 4.27Å; W69-R77 HydrophobicContact CZ3-CG 3.93Å; M72-R77 HydrophobicContact CG-CG 4.25Å; M72-R77 HydrophobicContact SD-CG 3.79Å; D73-R77 PolarHBondContact O-N 3.42Å; A74-R77 PolarHBondContact O-N 3.28Å; S75-R77 PolarHBondContact O-N 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 3.42Å; R77-L81 VanDerWaalsContact O-N 3.1Å; R77-A128 HydrophobicContact CB-CB 4.27Å; R77-A128 PolarHBondContact NH2-O 2.83Å; R77-C176 PolarHBondContact NE-O 2.8Å; R77-C176 PolarHBondContact NH2-O 2.82Å |
| 78 | G | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | A74 S75 E76 L80 L81 Y82 A125 | A74-G78 PolarHBondContact O-N 2.94Å; S75-G78 CarbonylContact O-C 3.51Å; S75-G78 VanDerWaalsContact O-CA 3.28Å; S75-G78 WeakPolarHBondContact O-CA 3.47Å; S75-G78 PolarHBondContact O-N 2.96Å; E76-G78 PolarHBondContact O-N 3.35Å; G78-L80 PolarHBondContact O-N 3.15Å; G78-L81 PolarHBondContact O-N 3.24Å; G78-Y82 WeakPolarHBondContact O-CD2 3.25Å; G78-Y82 PolarHBondContact O-N 2.88Å; G78-A125 WeakPolarHBondContact CA-O 3.38Å |
| 79 | V | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 47% | 0.473 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | S75 E76 L81 Y82 K83 | S75-V79 PolarHBondContact O-N 3.36Å; E76-V79 WeakPolarHBondContact O-CB 3.28Å; E76-V79 PolarHBondContact O-N 3.43Å; E76-V79 VanDerWaalsContact O-N 3.13Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.98Å; V79-Y82 PolarHBondContact O-N 3.33Å; V79-K83 PolarHBondContact O-N 3.1Å |
| 80 | L | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.8 | -69.7 | 175.1 | 0 | 0 | 0 | 112.4 | W69 M72 E76 G78 K83 L84 A203 F205 | W69-L80 HydrophobicContact CZ3-CD1 3.92Å; M72-L80 HydrophobicContact CE-CD1 3.79Å; M72-L80 HydrophobicContact SD-CD1 3.71Å; E76-L80 PolarHBondContact O-N 2.84Å; G78-L80 PolarHBondContact O-N 3.15Å; L80-K83 PolarHBondContact O-N 2.89Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 3.3Å; L80-A203 WeakPolarHBondContact CD2-O 3.41Å; L80-F205 HydrophobicContact CB-CD2 4.38Å; L80-F205 HydrophobicContact CB-CE1 4.02Å; L80-F205 HydrophobicContact CB-CE2 3.82Å; L80-F205 HydrophobicContact CB-CZ 3.61Å; L80-F205 HydrophobicContact CD1-CD1 4.26Å; L80-F205 HydrophobicContact CD1-CE1 4.38Å; L80-F205 HydrophobicContact CD1-CG 4.48Å |
| 81 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 175.8 | -73.7 | 173 | 0 | 0 | 0 | 112.3 | R77 G78 V79 L84 A85 T121 A125 T172 L175 C176 F205 | R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 3.42Å; R77-L81 VanDerWaalsContact O-N 3.1Å; G78-L81 PolarHBondContact O-N 3.24Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.98Å; L81-L84 PolarHBondContact O-N 3.34Å; L81-A85 PolarHBondContact O-N 2.98Å; L81-T121 HydrophobicContact CB-CG2 4.35Å; L81-T121 HydrophobicContact CD2-CG2 4.21Å; L81-T121 WeakPolarHBondContact O-CG2 3.47Å; L81-A125 HydrophobicContact CB-CB 3.55Å; L81-T172 HydrophobicContact CD1-CG2 4.5Å; L81-T172 HydrophobicContact CD2-CG2 3.89Å; L81-L175 HydrophobicContact CD2-CB 4.17Å; L81-L175 HydrophobicContact CD2-CD1 4.29Å; L81-C176 HydrophobicContact CD1-CB 4.01Å; L81-F205 HydrophobicContact CD2-CZ 3.94Å; L81-F205 HydrophobicContact CG-CZ 4.23Å |
| 82 | Y | 98.9 | Very high | 98.9 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 43% | 0.431 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.6 | -94.6 | -67.5 | 0 | 0 | 0 | 111.3 | G78 V79 L84 A85 D86 R122 A125 | G78-Y82 WeakPolarHBondContact O-CD2 3.25Å; G78-Y82 PolarHBondContact O-N 2.88Å; V79-Y82 PolarHBondContact O-N 3.33Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.13Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 2.94Å; Y82-A85 VanDerWaalsContact O-N 3.1Å; Y82-D86 PolarHBondContact O-N 3.25Å; Y82-R122 HydrophobicContact CD1-CG 3.98Å; Y82-R122 HydrophobicContact CE1-CB 4.07Å; Y82-R122 HydrophobicContact CE1-CG 3.9Å; Y82-A125 HydrophobicContact CD1-CB 4.43Å; Y82-A125 HydrophobicContact CD2-CB 3.49Å; Y82-A125 VanDerWaalsContact CD2-CB 3.49Å; Y82-A125 HydrophobicContact CE2-CB 3.68Å; Y82-A125 HydrophobicContact CG-CB 3.89Å |
| 83 | K | 98.9 | Very high | 98.8 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 176.4 | -175.7 | 173.8 | 167.9 | -154.1 | 0 | 112 | V79 L80 A85 D86 L87 E202 A203 | V79-K83 PolarHBondContact O-N 3.1Å; L80-K83 PolarHBondContact O-N 2.89Å; K83-A85 VanDerWaalsContact C-N 3.33Å; K83-A85 PolarHBondContact O-N 3.48Å; K83-D86 PolarHBondContact O-N 3.14Å; K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 3.09Å; K83-E202 WeakPolarHBondContact CE-O 3.37Å; K83-E202 PolarHBondContact NZ-O 3.06Å; K83-A203 WeakPolarHBondContact CD-O 3.35Å; K83-A203 WeakPolarHBondContact CE-O 3.3Å; K83-A203 HydrophobicContact CG-CB 4.42Å; K83-A203 PolarHBondContact NZ-O 3.31Å |
| 84 | L | 99 | Very high | 98.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 173.5 | 177.2 | 61.9 | 0 | 0 | 0 | 111.4 | L80 L81 Y82 D86 L87 I88 T121 L196 L199 I200 A203 F205 | L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 3.3Å; L81-L84 PolarHBondContact O-N 3.34Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.13Å; L84-D86 VanDerWaalsContact C-N 3.31Å; L84-D86 PolarHBondContact O-N 3.12Å; L84-L87 PolarHBondContact O-N 2.66Å; L84-I88 HydrophobicContact CD1-CD1 4.24Å; L84-I88 HydrophobicContact CD1-CG1 4.28Å; L84-I88 HydrophobicContact CG-CD1 3.98Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.24Å; L84-I88 WeakPolarHBondContact O-CG1 2.79Å; L84-I88 PolarHBondContact O-N 3.48Å; L84-T121 HydrophobicContact CB-CG2 4.35Å; L84-T121 HydrophobicContact CD2-CG2 4.22Å; L84-T121 HydrophobicContact CG-CG2 4.31Å; L84-L196 HydrophobicContact CD1-CD1 4.19Å; L84-L199 HydrophobicContact CD1-CB 3.9Å; L84-I200 HydrophobicContact CD1-CG1 3.89Å; L84-I200 HydrophobicContact CD2-CG1 3.98Å; L84-A203 HydrophobicContact CB-CB 4.18Å; L84-F205 HydrophobicContact CB-CE2 4.23Å; L84-F205 HydrophobicContact CD2-CE2 4.36Å |
| 85 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 Y82 K83 I88 E89 T121 R122 | L81-A85 PolarHBondContact O-N 2.98Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 2.94Å; Y82-A85 VanDerWaalsContact O-N 3.1Å; K83-A85 VanDerWaalsContact C-N 3.33Å; K83-A85 PolarHBondContact O-N 3.48Å; A85-I88 PolarHBondContact O-N 3.3Å; A85-E89 PolarHBondContact O-N 3.13Å; A85-T121 HydrophobicContact CB-CG2 3.92Å; A85-R122 HydrophobicContact CB-CG 3.52Å |
| 86 | D | 98.9 | Very high | 98.9 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 177 | -62.6 | -18.2 | 0 | 0 | 0 | 111.4 | Y82 K83 L84 E89 M90 R122 | Y82-D86 PolarHBondContact O-N 3.25Å; K83-D86 PolarHBondContact O-N 3.14Å; L84-D86 VanDerWaalsContact C-N 3.31Å; L84-D86 PolarHBondContact O-N 3.12Å; D86-E89 PolarHBondContact O-N 2.94Å; D86-M90 VanDerWaalsContact O-CB 3.29Å; D86-M90 WeakPolarHBondContact O-CB 3.33Å; D86-M90 PolarHBondContact O-N 2.67Å; D86-R122 IonicContact OD1-CZ 2.7Å; D86-R122 IonicContact OD1-NE 3.6Å; D86-R122 IonicContact OD1-NH2 3.43Å; D86-R122 PolarHBondContact OD1-NH2 3.11Å |
| 87 | L | 99 | Very high | 98.8 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 174.7 | -69.2 | 176.6 | 0 | 0 | 0 | 112.5 | K83 L84 M90 N91 L199 E202 A203 | K83-L87 WeakPolarHBondContact O-CG 3.21Å; K83-L87 PolarHBondContact O-N 3.09Å; L84-L87 PolarHBondContact O-N 2.66Å; L87-M90 HydrophobicContact CD2-CE 3.54Å; L87-N91 PolarHBondContact O-N 2.82Å; L87-N91 PolarHBondContact O-ND2 2.89Å; L87-L199 HydrophobicContact CB-CB 4.49Å; L87-L199 HydrophobicContact CB-CD2 4.35Å; L87-L199 WeakPolarHBondContact CD1-O 3.47Å; L87-E202 HydrophobicContact CD1-CB 3.92Å; L87-E202 HydrophobicContact CD1-CG 3.87Å; L87-E202 HydrophobicContact CD2-CG 4.25Å; L87-E202 WeakPolarHBondContact CD2-OE1 3.44Å; L87-A203 HydrophobicContact CD1-CB 3.97Å |
| 88 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 174.9 | -68.8 | 171 | 0 | 0 | 0 | 109.9 | L84 A85 N91 A92 I95 V114 A118 F164 V168 L196 L199 | L84-I88 HydrophobicContact CD1-CD1 4.24Å; L84-I88 HydrophobicContact CD1-CG1 4.28Å; L84-I88 HydrophobicContact CG-CD1 3.98Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.24Å; L84-I88 WeakPolarHBondContact O-CG1 2.79Å; L84-I88 PolarHBondContact O-N 3.48Å; A85-I88 PolarHBondContact O-N 3.3Å; I88-N91 CarbonylContact O-C 3.55Å; I88-N91 PolarHBondContact O-N 3.31Å; I88-A92 PolarHBondContact O-N 3.26Å; I88-A92 VanDerWaalsContact O-N 3.15Å; I88-I95 HydrophobicContact CG2-CD1 4.39Å; I88-V114 HydrophobicContact CG2-CG1 3.66Å; I88-A118 HydrophobicContact CB-CB 4.34Å; I88-A118 HydrophobicContact CG2-CB 4Å; I88-F164 HydrophobicContact CD1-CZ 4.25Å; I88-F164 HydrophobicContact CG1-CZ 4.01Å; I88-F164 HydrophobicContact CG2-CE1 3.72Å; I88-F164 HydrophobicContact CG2-CZ 3.84Å; I88-V168 HydrophobicContact CD1-CG2 4.12Å; I88-L196 HydrophobicContact CD1-CD1 4.29Å; I88-L199 HydrophobicContact CG1-CD1 3.98Å |
| 89 | E | 98.7 | Very high | 98.8 | Very high | 83 Ų | 83 | 39 Ų | 39 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.5 | -42.4 | -178.8 | -172.1 | 166.4 | -159.9 | 0 | 0 | 112.1 | A85 D86 N91 A92 F115 A118 R122 | A85-E89 PolarHBondContact O-N 3.13Å; D86-E89 PolarHBondContact O-N 2.94Å; E89-N91 PolarHBondContact O-N 2.85Å; E89-A92 VanDerWaalsContact O-CB 3.26Å; E89-A92 WeakPolarHBondContact O-CB 3.48Å; E89-A92 PolarHBondContact O-N 3.45Å; E89-A92 VanDerWaalsContact O-N 3.16Å; E89-F115 HydrophobicContact CG-CD1 4.18Å; E89-F115 HydrophobicContact CG-CE1 3.96Å; E89-A118 HydrophobicContact CB-CB 4.45Å; E89-R122 IonicContact OE2-CZ 3.21Å; E89-R122 IonicContact OE2-NH1 3.81Å; E89-R122 PolarHBondContact OE2-NH1 3.34Å; E89-R122 IonicContact OE2-NH2 2.92Å; E89-R122 PolarHBondContact OE2-NH2 2.67Å |
| 90 | M | 98.8 | Very high | 98.8 | Very high | 133 Ų | 133 | 35.3 Ų | 35.3 | 66% | 0.655 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -60.7 | -30.5 | 176.7 | -176.5 | 174 | 63.3 | 0 | 0 | 112.8 | D86 L87 | D86-M90 VanDerWaalsContact O-CB 3.29Å; D86-M90 WeakPolarHBondContact O-CB 3.33Å; D86-M90 PolarHBondContact O-N 2.67Å; L87-M90 HydrophobicContact CD2-CE 3.54Å |
| 91 | N | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14 | -179.8 | -67.7 | -79.3 | 0 | 0 | 0 | 113.3 | L87 I88 E89 E93 Y94 I95 Y195 | L87-N91 PolarHBondContact O-N 2.82Å; L87-N91 PolarHBondContact O-ND2 2.89Å; I88-N91 CarbonylContact O-C 3.55Å; I88-N91 PolarHBondContact O-N 3.31Å; E89-N91 PolarHBondContact O-N 2.85Å; N91-E93 PolarHBondContact O-N 2.83Å; N91-Y94 PolarHBondContact O-N 2.91Å; N91-Y94 VanDerWaalsContact O-N 3.07Å; N91-I95 HydrophobicContact CB-CD1 3.96Å; N91-I95 HydrophobicContact CB-CG1 4.31Å; N91-I95 WeakPolarHBondContact O-CG1 3.19Å; N91-I95 PolarHBondContact O-N 2.81Å; N91-Y195 HydrophobicContact CB-CE1 3.96Å; N91-Y195 VanDerWaalsContact CG-OH 3.32Å; N91-Y195 PolarHBondContact OD1-OH 3.32Å |
| 92 | A | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.4 | -44.7 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | I88 E89 Y94 I95 A96 L111 V114 F115 | I88-A92 PolarHBondContact O-N 3.26Å; I88-A92 VanDerWaalsContact O-N 3.15Å; E89-A92 VanDerWaalsContact O-CB 3.26Å; E89-A92 WeakPolarHBondContact O-CB 3.48Å; E89-A92 PolarHBondContact O-N 3.45Å; E89-A92 VanDerWaalsContact O-N 3.16Å; A92-Y94 PolarHBondContact O-N 3.45Å; A92-I95 PolarHBondContact O-N 3.29Å; A92-A96 VanDerWaalsContact O-CB 3.24Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 3.25Å; A92-L111 HydrophobicContact CB-CD2 4.3Å; A92-V114 HydrophobicContact CB-CG1 3.86Å; A92-F115 HydrophobicContact CB-CE1 3.88Å; A92-F115 HydrophobicContact CB-CZ 3.95Å |
| 93 | E | 98.4 | Very high | 98.8 | Very high | 97 Ų | 97 | 30 Ų | 30 | 45% | 0.453 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.7 | -35.6 | 179.5 | -168.5 | -174.7 | 111.8 | 0 | 0 | 112.5 | N91 R97 | N91-E93 PolarHBondContact O-N 2.83Å; E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 VanDerWaalsContact O-CG 3.25Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.42Å; E93-R97 VanDerWaalsContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 2.82Å; E93-R97 IonicContact OE1-NE 2.66Å |
| 94 | Y | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 9% | 0.094 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -47.9 | 175.6 | 174 | -93.5 | 0 | 0 | 0 | 110.7 | P8 E9 K11 N91 A92 A96 R97 L98 Y195 | P8-Y94 HydrophobicContact CB-CD2 4.15Å; P8-Y94 HydrophobicContact CB-CE2 3.9Å; E9-Y94 WeakPolarHBondContact O-CE2 3.46Å; E9-Y94 PolarHBondContact O-OH 3.31Å; K11-Y94 HydrophobicContact CD-CE2 4.41Å; K11-Y94 WeakPolarHBondContact CG-OH 2.79Å; N91-Y94 PolarHBondContact O-N 2.91Å; N91-Y94 VanDerWaalsContact O-N 3.07Å; A92-Y94 PolarHBondContact O-N 3.45Å; Y94-A96 VanDerWaalsContact C-N 3.35Å; Y94-A96 PolarHBondContact O-N 2.96Å; Y94-R97 PolarHBondContact O-N 2.97Å; Y94-L98 HydrophobicContact CE1-CD2 4.06Å; Y94-L98 WeakPolarHBondContact O-CB 3.39Å; Y94-L98 PolarHBondContact O-N 2.82Å; Y94-Y195 HydrophobicContact CD1-CD1 4.13Å; Y94-Y195 HydrophobicContact CD1-CD2 4.09Å; Y94-Y195 AromaticContact CD1-CE1 3.68Å; Y94-Y195 HydrophobicContact CD1-CE1 3.68Å; Y94-Y195 AromaticContact CD1-CE2 3.7Å; Y94-Y195 HydrophobicContact CD1-CE2 3.7Å; Y94-Y195 HydrophobicContact CD1-CG 4.29Å; Y94-Y195 AromaticContact CD1-CZ 3.46Å; Y94-Y195 VanDerWaalsContact CD1-CZ 3.46Å; Y94-Y195 HydrophobicContact CE1-CD1 4.09Å; Y94-Y195 AromaticContact CE1-CD2 3.35Å; Y94-Y195 HydrophobicContact CE1-CD2 3.35Å; Y94-Y195 AromaticContact CE1-CE1 3.97Å; Y94-Y195 HydrophobicContact CE1-CE1 3.97Å; Y94-Y195 AromaticContact CE1-CE2 3.28Å; Y94-Y195 HydrophobicContact CE1-CE2 3.28Å; Y94-Y195 AromaticContact CE1-CG 3.78Å; Y94-Y195 HydrophobicContact CE1-CG 3.78Å; Y94-Y195 AromaticContact CE1-CZ 3.59Å |
| 95 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | -179.9 | -60.7 | 161.3 | 0 | 0 | 0 | 110.3 | I88 N91 A92 R97 L98 E99 V114 F164 Y195 L199 | I88-I95 HydrophobicContact CG2-CD1 4.39Å; N91-I95 HydrophobicContact CB-CD1 3.96Å; N91-I95 HydrophobicContact CB-CG1 4.31Å; N91-I95 WeakPolarHBondContact O-CG1 3.19Å; N91-I95 PolarHBondContact O-N 2.81Å; A92-I95 PolarHBondContact O-N 3.29Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.66Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 2.92Å; I95-L98 VanDerWaalsContact O-N 3.14Å; I95-E99 WeakPolarHBondContact O-CB 3.42Å; I95-E99 PolarHBondContact O-N 2.82Å; I95-V114 HydrophobicContact CB-CG1 4.32Å; I95-V114 HydrophobicContact CB-CG2 3.89Å; I95-V114 HydrophobicContact CD1-CG1 4.05Å; I95-V114 HydrophobicContact CG2-CG1 4.37Å; I95-V114 HydrophobicContact CG2-CG2 3.45Å; I95-V114 VanDerWaalsContact CG2-CG2 3.45Å; I95-F164 HydrophobicContact CD1-CE1 4.38Å; I95-F164 HydrophobicContact CD1-CE2 4.03Å; I95-F164 HydrophobicContact CD1-CZ 3.76Å; I95-F164 HydrophobicContact CG1-CE2 4.37Å; I95-F164 HydrophobicContact CG2-CB 4.19Å; I95-F164 HydrophobicContact CG2-CD1 3.86Å; I95-F164 HydrophobicContact CG2-CD2 3.47Å; I95-F164 VanDerWaalsContact CG2-CD2 3.47Å; I95-F164 HydrophobicContact CG2-CE1 4.07Å; I95-F164 HydrophobicContact CG2-CE2 3.7Å; I95-F164 HydrophobicContact CG2-CG 3.55Å; I95-F164 HydrophobicContact CG2-CZ 4Å; I95-Y195 HydrophobicContact CD1-CD1 4.25Å; I95-Y195 HydrophobicContact CD1-CE1 4.12Å; I95-Y195 HydrophobicContact CG1-CD1 3.66Å; I95-Y195 HydrophobicContact CG1-CE1 3.67Å; I95-L199 HydrophobicContact CD1-CD1 4.15Å |
| 96 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A92 Y94 A100 V107 A110 L111 | A92-A96 VanDerWaalsContact O-CB 3.24Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 3.25Å; Y94-A96 VanDerWaalsContact C-N 3.35Å; Y94-A96 PolarHBondContact O-N 2.96Å; A96-A100 WeakPolarHBondContact O-CB 3.41Å; A96-A100 PolarHBondContact O-N 3.07Å; A96-V107 HydrophobicContact CB-CG1 4.34Å; A96-A110 HydrophobicContact CB-CB 3.83Å; A96-A110 WeakPolarHBondContact O-CB 3.3Å; A96-L111 HydrophobicContact CB-CB 4.31Å; A96-L111 HydrophobicContact CB-CD2 3.72Å; A96-L111 HydrophobicContact CB-CG 3.63Å |
| 97 | R | 98.8 | Very high | 98.8 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 15% | 0.151 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.7 | -34.7 | 174.2 | -69.7 | -179.4 | -57.7 | 131 | -7.3 | 112 | Y5 R6 P8 E93 Y94 I95 A100 M101 V107 F326 | Y5-R97 HydrophobicContact CD1-CG 4.43Å; R6-R97 WeakPolarHBondContact O-CD 3.41Å; R6-R97 PolarHBondContact O-NH1 3.39Å; P8-R97 HydrophobicContact CB-CB 4.23Å; P8-R97 HydrophobicContact CG-CB 4.02Å; E93-R97 WeakPolarHBondContact O-CB 3.4Å; E93-R97 VanDerWaalsContact O-CG 3.25Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.42Å; E93-R97 VanDerWaalsContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 2.82Å; E93-R97 IonicContact OE1-NE 2.66Å; Y94-R97 PolarHBondContact O-N 2.97Å; I95-R97 VanDerWaalsContact C-N 3.35Å; I95-R97 PolarHBondContact O-N 2.66Å; R97-A100 PolarHBondContact O-N 3.16Å; R97-M101 WeakPolarHBondContact O-CB 3.21Å; R97-M101 PolarHBondContact O-N 3.43Å; R97-M101 VanDerWaalsContact O-N 3.07Å; R97-V107 HydrophobicContact CG-CG1 3.92Å; R97-V107 HydrophobicContact CG-CG2 4.18Å; R97-F326 HydrophobicContact CB-CE1 4.12Å; R97-F326 HydrophobicContact CG-CE1 4.25Å; R97-F326 WeakPolarHBondContact O-CZ 3.42Å |
| 98 | L | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.3 | -45.3 | 176.5 | -172 | 62.2 | 0 | 0 | 0 | 110.5 | P8 V10 Y94 I95 M101 D102 L191 | P8-L98 HydrophobicContact CG-CB 4.3Å; P8-L98 HydrophobicContact CG-CD1 4.26Å; V10-L98 HydrophobicContact CG2-CD1 4.36Å; Y94-L98 HydrophobicContact CE1-CD2 4.06Å; Y94-L98 WeakPolarHBondContact O-CB 3.39Å; Y94-L98 PolarHBondContact O-N 2.82Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 2.92Å; I95-L98 VanDerWaalsContact O-N 3.14Å; L98-M101 HydrophobicContact CD1-CE 3.81Å; L98-M101 PolarHBondContact O-N 3.16Å; L98-D102 WeakPolarHBondContact O-CB 3.3Å; L98-D102 PolarHBondContact O-N 2.84Å; L98-L191 HydrophobicContact CD1-CB 3.95Å; L98-L191 HydrophobicContact CD1-CD1 3.96Å; L98-L191 HydrophobicContact CD2-CB 4.07Å; L98-L191 HydrophobicContact CG-CB 4.03Å |
| 99 | E | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.7 | -50.8 | 170.6 | -81.3 | -82 | 120.5 | 0 | 0 | 111.5 | I95 M101 D102 N103 K105 A110 P163 F164 S192 | I95-E99 WeakPolarHBondContact O-CB 3.42Å; I95-E99 PolarHBondContact O-N 2.82Å; E99-M101 VanDerWaalsContact C-N 3.27Å; E99-M101 PolarHBondContact O-N 3.33Å; E99-D102 PolarHBondContact O-N 3.14Å; E99-N103 WeakPolarHBondContact O-CA 3.27Å; E99-N103 VanDerWaalsContact O-CB 3.23Å; E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 PolarHBondContact O-N 2.84Å; E99-K105 IonicContact OE2-NZ 3.47Å; E99-K105 PolarHBondContact OE2-NZ 2.92Å; E99-A110 HydrophobicContact CB-CB 3.83Å; E99-P163 VanDerWaalsContact OE1-CB 3.22Å; E99-P163 WeakPolarHBondContact OE1-CB 3.5Å; E99-P163 VanDerWaalsContact OE1-CG 3.26Å; E99-P163 WeakPolarHBondContact OE1-CG 3.42Å; E99-P163 VanDerWaalsContact OE2-CD 3.22Å; E99-P163 WeakPolarHBondContact OE2-CD 3.37Å; E99-F164 HydrophobicContact CG-CB 3.92Å; E99-F164 WeakPolarHBondContact OE1-CB 3.47Å; E99-F164 PolarHBondContact OE1-N 2.98Å; E99-S192 WeakPolarHBondContact OE1-CB 3.24Å; E99-S192 PolarHBondContact OE1-OG 3.27Å |
| 100 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -36.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A96 R97 G104 K105 V107 F326 | A96-A100 WeakPolarHBondContact O-CB 3.41Å; A96-A100 PolarHBondContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.16Å; A100-G104 WeakPolarHBondContact O-CA 3.44Å; A100-G104 PolarHBondContact O-N 3.35Å; A100-K105 WeakPolarHBondContact CA-O 3.26Å; A100-K105 WeakPolarHBondContact CB-O 3.49Å; A100-V107 HydrophobicContact CB-CB 4.44Å; A100-V107 HydrophobicContact CB-CG2 3.57Å; A100-F326 HydrophobicContact CB-CE2 3.95Å; A100-F326 HydrophobicContact CB-CZ 4.01Å |
| 101 | M | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 5% | 0.054 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71 | -45.4 | 177.6 | -174 | 175.5 | 62 | 0 | 0 | 112.7 | L7 P8 V10 I41 R97 L98 E99 L191 F326 | L7-M101 HydrophobicContact CD2-CG 4.16Å; L7-M101 HydrophobicContact CD2-SD 4.06Å; P8-M101 HydrophobicContact CG-CE 3.91Å; P8-M101 HydrophobicContact CG-SD 4.34Å; V10-M101 HydrophobicContact CG2-CE 3.82Å; I41-M101 HydrophobicContact CD1-CG 3.9Å; I41-M101 HydrophobicContact CG1-CG 4.15Å; I41-M101 HydrophobicContact CG1-SD 4.49Å; I41-M101 HydrophobicContact CG2-CE 3.59Å; I41-M101 HydrophobicContact CG2-SD 4.08Å; R97-M101 WeakPolarHBondContact O-CB 3.21Å; R97-M101 PolarHBondContact O-N 3.43Å; R97-M101 VanDerWaalsContact O-N 3.07Å; L98-M101 HydrophobicContact CD1-CE 3.81Å; L98-M101 PolarHBondContact O-N 3.16Å; E99-M101 VanDerWaalsContact C-N 3.27Å; E99-M101 PolarHBondContact O-N 3.33Å; M101-L191 HydrophobicContact CE-CD1 4.48Å; M101-F326 HydrophobicContact CB-CE2 4.2Å; M101-F326 HydrophobicContact CB-CZ 3.94Å |
| 102 | D | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -84.4 | -29.2 | -172.6 | -149.7 | 36.3 | 0 | 0 | 0 | 111.9 | T32 I41 L98 E99 T189 P190 L191 | T32-D102 WeakPolarHBondContact CG2-OD1 3.38Å; T32-D102 PolarHBondContact OG1-OD1 3.14Å; I41-D102 HydrophobicContact CD1-CB 4.3Å; I41-D102 WeakPolarHBondContact CD1-OD1 3.47Å; L98-D102 WeakPolarHBondContact O-CB 3.3Å; L98-D102 PolarHBondContact O-N 2.84Å; E99-D102 PolarHBondContact O-N 3.14Å; D102-T189 VanDerWaalsContact OD2-C 3.28Å; D102-T189 VanDerWaalsContact OD2-CA 3.23Å; D102-T189 WeakPolarHBondContact OD2-CA 3.33Å; D102-P190 WeakPolarHBondContact OD2-CD 3.15Å; D102-L191 HydrophobicContact CB-CD1 4.31Å; D102-L191 WeakPolarHBondContact OD1-CD1 3.46Å; D102-L191 WeakPolarHBondContact OD2-CB 3.48Å; D102-L191 VanDerWaalsContact OD2-CG 3.26Å; D102-L191 WeakPolarHBondContact OD2-CG 3.33Å; D102-L191 PolarHBondContact OD2-N 3.43Å; D102-L191 VanDerWaalsContact OD2-N 3.17Å |
| 103 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -106.4 | -31.3 | -177.7 | 167.5 | -89.3 | 0 | 0 | 0 | 114.7 | P35 E99 K105 W160 P163 T189 I336 | P35-N103 WeakPolarHBondContact CG-O 3.21Å; E99-N103 WeakPolarHBondContact O-CA 3.27Å; E99-N103 VanDerWaalsContact O-CB 3.23Å; E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 PolarHBondContact O-N 2.84Å; N103-K105 VanDerWaalsContact OD1-CB 3.28Å; N103-K105 WeakPolarHBondContact OD1-CB 3.43Å; N103-K105 VanDerWaalsContact OD1-CE 3.23Å; N103-K105 WeakPolarHBondContact OD1-CE 3.32Å; N103-K105 WeakPolarHBondContact OD1-CG 3.41Å; N103-K105 PolarHBondContact OD1-N 3.15Å; N103-W160 PolarHBondContact ND2-O 3.49Å; N103-P163 HydrophobicContact CB-CG 4.28Å; N103-T189 HydrophobicContact CB-CG2 3.95Å; N103-I336 HydrophobicContact CB-CD1 4.32Å |
| 104 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | 89.5 | -2.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A100 H289 P334 | A100-G104 WeakPolarHBondContact O-CA 3.44Å; A100-G104 PolarHBondContact O-N 3.35Å; G104-H289 PolarHBondContact O-NE2 2.9Å; G104-P334 WeakPolarHBondContact O-CD 3.45Å | ||
| 105 | K | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -64 | 157.6 | 164.8 | 67.3 | 178.7 | 55.5 | 169.1 | 0 | 111.6 | E99 A100 N103 A110 D113 N161 N288 P325 | E99-K105 IonicContact OE2-NZ 3.47Å; E99-K105 PolarHBondContact OE2-NZ 2.92Å; A100-K105 WeakPolarHBondContact CA-O 3.26Å; A100-K105 WeakPolarHBondContact CB-O 3.49Å; N103-K105 VanDerWaalsContact OD1-CB 3.28Å; N103-K105 WeakPolarHBondContact OD1-CB 3.43Å; N103-K105 VanDerWaalsContact OD1-CE 3.23Å; N103-K105 WeakPolarHBondContact OD1-CE 3.32Å; N103-K105 WeakPolarHBondContact OD1-CG 3.41Å; N103-K105 PolarHBondContact OD1-N 3.15Å; K105-A110 HydrophobicContact CD-CB 3.73Å; K105-A110 HydrophobicContact CG-CB 4.03Å; K105-D113 IonicContact NZ-OD2 3.18Å; K105-D113 PolarHBondContact NZ-OD2 3.36Å; K105-N161 PolarHBondContact NZ-O 2.9Å; K105-N161 VanDerWaalsContact NZ-O 3.12Å; K105-N288 WeakPolarHBondContact CE-OD1 3.45Å; K105-P325 WeakPolarHBondContact O-CB 3.3Å | ||
| 106 | T | 98.5 | Very high | 98.6 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | trans | -69.6 | 149.7 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | E108 S109 A110 P325 T330 | T106-E108 PolarHBondContact O-N 3.1Å; T106-S109 PolarHBondContact O-N 2.84Å; T106-S109 VanDerWaalsContact O-N 3.15Å; T106-S109 WeakPolarHBondContact OG1-CB 3.16Å; T106-S109 PolarHBondContact OG1-N 3.19Å; T106-A110 PolarHBondContact O-N 3.39Å; T106-P325 HydrophobicContact CG2-CB 4.49Å; T106-T330 HydrophobicContact CG2-CG2 3.83Å; T106-T330 WeakPolarHBondContact CG2-O 3.15Å | ||
| 107 | V | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -38 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | Y5 A96 R97 A100 A110 L111 P325 F326 | Y5-V107 HydrophobicContact CD1-CG1 3.83Å; Y5-V107 HydrophobicContact CD2-CB 3.76Å; Y5-V107 HydrophobicContact CD2-CG1 3.88Å; Y5-V107 HydrophobicContact CD2-CG2 3.96Å; Y5-V107 HydrophobicContact CE1-CG1 3.81Å; Y5-V107 HydrophobicContact CE2-CB 3.94Å; Y5-V107 HydrophobicContact CE2-CG1 3.89Å; Y5-V107 HydrophobicContact CG-CB 4.11Å; Y5-V107 HydrophobicContact CG-CG1 3.86Å; Y5-V107 HydrophobicContact CG-CG2 4.03Å; A96-V107 HydrophobicContact CB-CG1 4.34Å; R97-V107 HydrophobicContact CG-CG1 3.92Å; R97-V107 HydrophobicContact CG-CG2 4.18Å; A100-V107 HydrophobicContact CB-CB 4.44Å; A100-V107 HydrophobicContact CB-CG2 3.57Å; V107-A110 PolarHBondContact O-N 2.53Å; V107-L111 HydrophobicContact CG1-CD1 4.48Å; V107-L111 WeakPolarHBondContact O-CG 3.15Å; V107-L111 PolarHBondContact O-N 3.3Å; V107-P325 PolarHBondContact N-O 3.17Å; V107-F326 HydrophobicContact CG2-CD1 4.04Å; V107-F326 HydrophobicContact CG2-CE1 4.13Å; V107-F326 HydrophobicContact CG2-CG 4.3Å; V107-F326 HydrophobicContact CG2-CZ 4.47Å |
| 108 | E | 97.4 | Very high | 98.6 | Very high | 83 Ų | 83 | 17.6 Ų | 17.6 | 39% | 0.388 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 177 | -61.3 | -60.5 | 155 | 0 | 0 | 112.2 | Y5 T106 L111 G112 | Y5-E108 WeakPolarHBondContact CE2-OE1 2.97Å; Y5-E108 VanDerWaalsContact CZ-OE1 3.3Å; Y5-E108 PolarHBondContact OH-OE1 3.01Å; T106-E108 PolarHBondContact O-N 3.1Å; E108-L111 PolarHBondContact O-N 3.33Å; E108-G112 PolarHBondContact O-N 3.26Å |
| 109 | S | 97.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 21.7 Ų | 21.7 | 27% | 0.266 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | T106 L111 G112 D113 | T106-S109 PolarHBondContact O-N 2.84Å; T106-S109 VanDerWaalsContact O-N 3.15Å; T106-S109 WeakPolarHBondContact OG1-CB 3.16Å; T106-S109 PolarHBondContact OG1-N 3.19Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 2.93Å; S109-G112 PolarHBondContact O-N 3.37Å; S109-G112 VanDerWaalsContact O-N 3.15Å; S109-D113 PolarHBondContact O-N 3.47Å; S109-D113 VanDerWaalsContact O-N 3.15Å |
| 110 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | A96 E99 K105 T106 V107 G112 D113 V114 | A96-A110 HydrophobicContact CB-CB 3.83Å; A96-A110 WeakPolarHBondContact O-CB 3.3Å; E99-A110 HydrophobicContact CB-CB 3.83Å; K105-A110 HydrophobicContact CD-CB 3.73Å; K105-A110 HydrophobicContact CG-CB 4.03Å; T106-A110 PolarHBondContact O-N 3.39Å; V107-A110 PolarHBondContact O-N 2.53Å; A110-G112 VanDerWaalsContact C-N 3.32Å; A110-G112 PolarHBondContact O-N 2.98Å; A110-D113 WeakPolarHBondContact O-CB 3.13Å; A110-D113 PolarHBondContact O-N 3.44Å; A110-V114 VanDerWaalsContact O-CG2 3.28Å; A110-V114 WeakPolarHBondContact O-CG2 3.24Å; A110-V114 PolarHBondContact O-N 2.98Å |
| 111 | L | 98.4 | Very high | 98.6 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 14% | 0.141 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 172 | -81.1 | 169 | 0 | 0 | 0 | 111.4 | A92 A96 V107 E108 S109 D113 V114 F115 | A92-L111 HydrophobicContact CB-CD2 4.3Å; A96-L111 HydrophobicContact CB-CB 4.31Å; A96-L111 HydrophobicContact CB-CD2 3.72Å; A96-L111 HydrophobicContact CB-CG 3.63Å; V107-L111 HydrophobicContact CG1-CD1 4.48Å; V107-L111 WeakPolarHBondContact O-CG 3.15Å; V107-L111 PolarHBondContact O-N 3.3Å; E108-L111 PolarHBondContact O-N 3.33Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 2.93Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 3.27Å; L111-V114 PolarHBondContact O-N 2.84Å; L111-F115 HydrophobicContact CB-CE2 4.27Å; L111-F115 HydrophobicContact CD2-CE2 4.19Å; L111-F115 WeakPolarHBondContact O-CD2 3.43Å; L111-F115 PolarHBondContact O-N 3.08Å |
| 112 | G | 98.1 | Very high | 98.6 | Very high | 40 Ų | 40 | 24.1 Ų | 24.1 | 41% | 0.412 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.4 | -46.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E108 S109 A110 V114 F115 F116 | E108-G112 PolarHBondContact O-N 3.26Å; S109-G112 PolarHBondContact O-N 3.37Å; S109-G112 VanDerWaalsContact O-N 3.15Å; A110-G112 VanDerWaalsContact C-N 3.32Å; A110-G112 PolarHBondContact O-N 2.98Å; G112-V114 VanDerWaalsContact C-N 3.34Å; G112-V114 PolarHBondContact O-N 3.34Å; G112-F115 PolarHBondContact O-N 3.47Å; G112-F116 WeakPolarHBondContact O-CB 3.22Å; G112-F116 PolarHBondContact O-N 3.31Å |
| 113 | D | 98.5 | Very high | 98.6 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.5 | -64.2 | -16.8 | 0 | 0 | 0 | 112.4 | K105 S109 A110 L111 F116 A117 Y162 F165 | K105-D113 IonicContact NZ-OD2 3.18Å; K105-D113 PolarHBondContact NZ-OD2 3.36Å; S109-D113 PolarHBondContact O-N 3.47Å; S109-D113 VanDerWaalsContact O-N 3.15Å; A110-D113 WeakPolarHBondContact O-CB 3.13Å; A110-D113 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 3.27Å; D113-F116 PolarHBondContact O-N 3.46Å; D113-A117 WeakPolarHBondContact O-CB 3.38Å; D113-A117 PolarHBondContact O-N 3.04Å; D113-Y162 WeakPolarHBondContact OD2-CD1 3.29Å; D113-F165 HydrophobicContact CB-CB 4.28Å |
| 114 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.2 | -42.8 | -179.5 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | I88 A92 I95 A110 L111 G112 F116 A117 A118 F164 | I88-V114 HydrophobicContact CG2-CG1 3.66Å; A92-V114 HydrophobicContact CB-CG1 3.86Å; I95-V114 HydrophobicContact CB-CG1 4.32Å; I95-V114 HydrophobicContact CB-CG2 3.89Å; I95-V114 HydrophobicContact CD1-CG1 4.05Å; I95-V114 HydrophobicContact CG2-CG1 4.37Å; I95-V114 HydrophobicContact CG2-CG2 3.45Å; I95-V114 VanDerWaalsContact CG2-CG2 3.45Å; A110-V114 VanDerWaalsContact O-CG2 3.28Å; A110-V114 WeakPolarHBondContact O-CG2 3.24Å; A110-V114 PolarHBondContact O-N 2.98Å; L111-V114 PolarHBondContact O-N 2.84Å; G112-V114 VanDerWaalsContact C-N 3.34Å; G112-V114 PolarHBondContact O-N 3.34Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.44Å; V114-A117 WeakPolarHBondContact O-CB 3.47Å; V114-A117 PolarHBondContact O-N 3.1Å; V114-A118 PolarHBondContact O-N 3.31Å; V114-F164 HydrophobicContact CG1-CE1 4.08Å; V114-F164 HydrophobicContact CG2-CD1 3.99Å; V114-F164 HydrophobicContact CG2-CE1 4.32Å |
| 115 | F | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 26 Ų | 26 | 41% | 0.412 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 174.4 | -68.7 | -57.8 | 0 | 0 | 0 | 111.6 | E89 A92 L111 G112 A117 A118 Q119 | E89-F115 HydrophobicContact CG-CD1 4.18Å; E89-F115 HydrophobicContact CG-CE1 3.96Å; A92-F115 HydrophobicContact CB-CE1 3.88Å; A92-F115 HydrophobicContact CB-CZ 3.95Å; L111-F115 HydrophobicContact CB-CE2 4.27Å; L111-F115 HydrophobicContact CD2-CE2 4.19Å; L111-F115 WeakPolarHBondContact O-CD2 3.43Å; L111-F115 PolarHBondContact O-N 3.08Å; G112-F115 PolarHBondContact O-N 3.47Å; F115-A117 VanDerWaalsContact C-N 3.32Å; F115-A117 PolarHBondContact O-N 3.4Å; F115-A118 PolarHBondContact O-N 2.9Å; F115-Q119 PolarHBondContact O-N 3.02Å |
| 116 | F | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 18% | 0.18 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 175.3 | -167.5 | -125.4 | 0 | 0 | 0 | 112.4 | G112 D113 V114 Q119 T120 F165 V450 P452 F468 | G112-F116 WeakPolarHBondContact O-CB 3.22Å; G112-F116 PolarHBondContact O-N 3.31Å; D113-F116 PolarHBondContact O-N 3.46Å; V114-F116 VanDerWaalsContact C-N 3.32Å; V114-F116 PolarHBondContact O-N 3.44Å; F116-Q119 PolarHBondContact O-N 3.43Å; F116-T120 WeakPolarHBondContact O-CB 3.33Å; F116-T120 PolarHBondContact O-N 3.28Å; F116-T120 PolarHBondContact O-OG1 2.79Å; F116-F165 AromaticContact CD1-CD2 3.93Å; F116-F165 HydrophobicContact CD1-CD2 3.93Å; F116-F165 HydrophobicContact CD1-CE1 4.22Å; F116-F165 AromaticContact CD1-CE2 3.26Å; F116-F165 HydrophobicContact CD1-CE2 3.26Å; F116-F165 AromaticContact CD1-CZ 3.41Å; F116-F165 HydrophobicContact CD1-CZ 3.41Å; F116-F165 VanDerWaalsContact CD1-CZ 3.41Å; F116-F165 HydrophobicContact CE1-CE1 4.25Å; F116-F165 AromaticContact CE1-CE2 3.64Å; F116-F165 HydrophobicContact CE1-CE2 3.64Å; F116-F165 AromaticContact CE1-CZ 3.37Å; F116-F165 HydrophobicContact CE1-CZ 3.37Å; F116-F165 HydrophobicContact CG-CE2 4.21Å; F116-V450 HydrophobicContact CE1-CG1 4.19Å; F116-V450 HydrophobicContact CZ-CB 4.27Å; F116-V450 HydrophobicContact CZ-CG1 4.01Å; F116-P452 HydrophobicContact CE2-CG 4.05Å; F116-P452 HydrophobicContact CZ-CG 4.38Å; F116-F468 HydrophobicContact CE1-CE1 4.12Å; F116-F468 HydrophobicContact CE1-CZ 4.37Å; F116-F468 HydrophobicContact CZ-CE1 4.35Å |
| 117 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D113 V114 F115 Q119 T120 T121 F164 F165 V168 | D113-A117 WeakPolarHBondContact O-CB 3.38Å; D113-A117 PolarHBondContact O-N 3.04Å; V114-A117 WeakPolarHBondContact O-CB 3.47Å; V114-A117 PolarHBondContact O-N 3.1Å; F115-A117 VanDerWaalsContact C-N 3.32Å; F115-A117 PolarHBondContact O-N 3.4Å; A117-Q119 PolarHBondContact O-N 2.96Å; A117-T120 WeakPolarHBondContact O-CB 3.42Å; A117-T120 PolarHBondContact O-N 2.9Å; A117-T121 PolarHBondContact O-N 3.09Å; A117-T121 PolarHBondContact O-OG1 3.4Å; A117-F164 HydrophobicContact CB-CD1 4.03Å; A117-F164 HydrophobicContact CB-CE1 3.8Å; A117-F165 HydrophobicContact CB-CD2 4.01Å; A117-V168 HydrophobicContact CB-CB 4.04Å; A117-V168 HydrophobicContact CB-CG1 4.01Å; A117-V168 HydrophobicContact CB-CG2 4.09Å |
| 118 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I88 E89 V114 F115 T120 T121 R122 | I88-A118 HydrophobicContact CB-CB 4.34Å; I88-A118 HydrophobicContact CG2-CB 4Å; E89-A118 HydrophobicContact CB-CB 4.45Å; V114-A118 PolarHBondContact O-N 3.31Å; F115-A118 PolarHBondContact O-N 2.9Å; A118-T120 VanDerWaalsContact C-N 3.35Å; A118-T120 PolarHBondContact O-N 2.9Å; A118-T121 WeakPolarHBondContact O-CB 3.18Å; A118-T121 PolarHBondContact O-N 3.2Å; A118-R122 WeakPolarHBondContact O-CG 3.41Å; A118-R122 PolarHBondContact O-N 2.9Å |
| 119 | Q | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 29.6 Ų | 29.6 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.7 | -169.1 | -171.1 | 6.9 | 0 | 0 | 111.9 | F115 F116 A117 T121 R122 Y123 P452 | F115-Q119 PolarHBondContact O-N 3.02Å; F116-Q119 PolarHBondContact O-N 3.43Å; A117-Q119 PolarHBondContact O-N 2.96Å; Q119-T121 VanDerWaalsContact C-N 3.35Å; Q119-R122 PolarHBondContact O-N 3.3Å; Q119-Y123 PolarHBondContact O-N 3.48Å; Q119-P452 HydrophobicContact CG-CG 4.15Å |
| 120 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | F116 A117 A118 R122 Y123 Y124 L169 F468 | F116-T120 WeakPolarHBondContact O-CB 3.33Å; F116-T120 PolarHBondContact O-N 3.28Å; F116-T120 PolarHBondContact O-OG1 2.79Å; A117-T120 WeakPolarHBondContact O-CB 3.42Å; A117-T120 PolarHBondContact O-N 2.9Å; A118-T120 VanDerWaalsContact C-N 3.35Å; A118-T120 PolarHBondContact O-N 2.9Å; T120-R122 PolarHBondContact O-N 3.21Å; T120-Y123 WeakPolarHBondContact O-CB 3.39Å; T120-Y123 PolarHBondContact O-N 2.97Å; T120-Y124 HydrophobicContact CG2-CD2 4.09Å; T120-Y124 HydrophobicContact CG2-CE2 3.86Å; T120-Y124 WeakPolarHBondContact O-CD2 3.48Å; T120-Y124 PolarHBondContact O-N 3.09Å; T120-L169 HydrophobicContact CG2-CD1 4.04Å; T120-F468 HydrophobicContact CG2-CD1 4.47Å; T120-F468 HydrophobicContact CG2-CE1 4.49Å |
| 121 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.6 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | L81 L84 A85 A117 A118 Q119 Y123 Y124 A125 V168 T172 | L81-T121 HydrophobicContact CB-CG2 4.35Å; L81-T121 HydrophobicContact CD2-CG2 4.21Å; L81-T121 WeakPolarHBondContact O-CG2 3.47Å; L84-T121 HydrophobicContact CB-CG2 4.35Å; L84-T121 HydrophobicContact CD2-CG2 4.22Å; L84-T121 HydrophobicContact CG-CG2 4.31Å; A85-T121 HydrophobicContact CB-CG2 3.92Å; A117-T121 PolarHBondContact O-N 3.09Å; A117-T121 PolarHBondContact O-OG1 3.4Å; A118-T121 WeakPolarHBondContact O-CB 3.18Å; A118-T121 PolarHBondContact O-N 3.2Å; Q119-T121 VanDerWaalsContact C-N 3.35Å; T121-Y123 VanDerWaalsContact C-N 3.35Å; T121-Y123 PolarHBondContact O-N 2.89Å; T121-Y124 PolarHBondContact O-N 2.83Å; T121-A125 WeakPolarHBondContact O-CB 3.45Å; T121-A125 PolarHBondContact O-N 3.48Å; T121-V168 WeakPolarHBondContact OG1-CG1 3.21Å; T121-T172 HydrophobicContact CG2-CG2 4.16Å |
| 122 | R | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 24% | 0.242 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.4 | -70.8 | 175.6 | 177.3 | 132.5 | 0.5 | 113 | Y82 A85 D86 E89 A118 Q119 T120 Y124 A125 G126 | Y82-R122 HydrophobicContact CD1-CG 3.98Å; Y82-R122 HydrophobicContact CE1-CB 4.07Å; Y82-R122 HydrophobicContact CE1-CG 3.9Å; A85-R122 HydrophobicContact CB-CG 3.52Å; D86-R122 IonicContact OD1-CZ 2.7Å; D86-R122 IonicContact OD1-NE 3.6Å; D86-R122 IonicContact OD1-NH2 3.43Å; D86-R122 PolarHBondContact OD1-NH2 3.11Å; E89-R122 IonicContact OE2-CZ 3.21Å; E89-R122 IonicContact OE2-NH1 3.81Å; E89-R122 PolarHBondContact OE2-NH1 3.34Å; E89-R122 IonicContact OE2-NH2 2.92Å; E89-R122 PolarHBondContact OE2-NH2 2.67Å; A118-R122 WeakPolarHBondContact O-CG 3.41Å; A118-R122 PolarHBondContact O-N 2.9Å; Q119-R122 PolarHBondContact O-N 3.3Å; T120-R122 PolarHBondContact O-N 3.21Å; R122-Y124 PolarHBondContact O-N 3.01Å; R122-A125 WeakPolarHBondContact O-CB 3.49Å; R122-A125 PolarHBondContact O-N 3.45Å; R122-G126 PolarHBondContact O-N 2.95Å; R122-G126 VanDerWaalsContact O-N 3.15Å |
| 123 | Y | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 176.7 | 170.6 | -98.9 | 0 | 0 | 0 | 111.6 | Q119 T120 T121 G126 Y127 P452 Q453 G469 K470 | Q119-Y123 PolarHBondContact O-N 3.48Å; T120-Y123 WeakPolarHBondContact O-CB 3.39Å; T120-Y123 PolarHBondContact O-N 2.97Å; T121-Y123 VanDerWaalsContact C-N 3.35Å; T121-Y123 PolarHBondContact O-N 2.89Å; Y123-G126 PolarHBondContact O-N 3.38Å; Y123-Y127 HydrophobicContact CE1-CD2 4.22Å; Y123-Y127 HydrophobicContact CE1-CE2 4.46Å; Y123-Y127 HydrophobicContact CE2-CD2 4.16Å; Y123-Y127 HydrophobicContact CE2-CE2 4Å; Y123-Y127 AromaticContact CZ-CD2 3.83Å; Y123-Y127 AromaticContact CZ-CE2 3.68Å; Y123-Y127 VanDerWaalsContact OH-CE2 3.25Å; Y123-Y127 WeakPolarHBondContact OH-CE2 3.34Å; Y123-P452 HydrophobicContact CD1-CB 4.06Å; Y123-P452 WeakPolarHBondContact CD1-O 3.39Å; Y123-P452 HydrophobicContact CD2-CB 4.32Å; Y123-P452 VanDerWaalsContact CE1-O 3.24Å; Y123-P452 WeakPolarHBondContact CE1-O 3.41Å; Y123-P452 HydrophobicContact CG-CB 3.72Å; Y123-Q453 HydrophobicContact CD2-CG 3.81Å; Y123-Q453 HydrophobicContact CE2-CB 4.05Å; Y123-Q453 HydrophobicContact CE2-CG 3.67Å; Y123-G469 VanDerWaalsContact OH-C 3.22Å; Y123-G469 WeakPolarHBondContact OH-CA 3.36Å; Y123-K470 PolarHBondContact OH-N 3.1Å |
| 124 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75 | -29 | 178.5 | -71.8 | -66.2 | 0 | 0 | 0 | 113.4 | T120 T121 R122 G126 Y127 A128 T172 P173 C176 F468 G469 A472 L473 | T120-Y124 HydrophobicContact CG2-CD2 4.09Å; T120-Y124 HydrophobicContact CG2-CE2 3.86Å; T120-Y124 WeakPolarHBondContact O-CD2 3.48Å; T120-Y124 PolarHBondContact O-N 3.09Å; T121-Y124 PolarHBondContact O-N 2.83Å; R122-Y124 PolarHBondContact O-N 3.01Å; Y124-G126 PolarHBondContact O-N 3Å; Y124-Y127 PolarHBondContact O-N 3.17Å; Y124-A128 PolarHBondContact O-N 2.7Å; Y124-T172 HydrophobicContact CD2-CG2 3.73Å; Y124-T172 HydrophobicContact CG-CG2 4.02Å; Y124-P173 HydrophobicContact CD1-CB 4.12Å; Y124-P173 HydrophobicContact CD2-CB 4.49Å; Y124-P173 HydrophobicContact CE1-CB 3.77Å; Y124-P173 HydrophobicContact CE2-CB 4.15Å; Y124-P173 HydrophobicContact CE2-CG 4.29Å; Y124-P173 HydrophobicContact CG-CB 4.46Å; Y124-C176 PolarHBondContact O-SG 3.04Å; Y124-F468 WeakPolarHBondContact OH-CA 3.31Å; Y124-F468 PolarHBondContact OH-N 3.25Å; Y124-G469 WeakPolarHBondContact CE1-O 3.44Å; Y124-A472 HydrophobicContact CE1-CB 4.15Å; Y124-A472 WeakPolarHBondContact OH-CB 3.42Å; Y124-L473 HydrophobicContact CD1-CD2 4.17Å; Y124-L473 HydrophobicContact CE1-CD2 4.14Å |
| 125 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54 | -45.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | G78 L81 Y82 T121 R122 Y127 A128 | G78-A125 WeakPolarHBondContact CA-O 3.38Å; L81-A125 HydrophobicContact CB-CB 3.55Å; Y82-A125 HydrophobicContact CD1-CB 4.43Å; Y82-A125 HydrophobicContact CD2-CB 3.49Å; Y82-A125 VanDerWaalsContact CD2-CB 3.49Å; Y82-A125 HydrophobicContact CE2-CB 3.68Å; Y82-A125 HydrophobicContact CG-CB 3.89Å; T121-A125 WeakPolarHBondContact O-CB 3.45Å; T121-A125 PolarHBondContact O-N 3.48Å; R122-A125 WeakPolarHBondContact O-CB 3.49Å; R122-A125 PolarHBondContact O-N 3.45Å; A125-Y127 PolarHBondContact O-N 3.2Å; A125-A128 PolarHBondContact O-N 3.24Å |
| 126 | G | 98.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | R122 Y123 Y124 K130 | R122-G126 PolarHBondContact O-N 2.95Å; R122-G126 VanDerWaalsContact O-N 3.15Å; Y123-G126 PolarHBondContact O-N 3.38Å; Y124-G126 PolarHBondContact O-N 3Å; G126-K130 WeakPolarHBondContact O-CD 3.38Å; G126-K130 WeakPolarHBondContact O-CE 2.85Å; G126-K130 PolarHBondContact O-NZ 2.92Å |
| 127 | Y | 97.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15.5 | -179.1 | -113.7 | -81.9 | 0 | 0 | 0 | 114.1 | Y123 Y124 A125 D129 K130 K470 L473 | Y123-Y127 HydrophobicContact CE1-CD2 4.22Å; Y123-Y127 HydrophobicContact CE1-CE2 4.46Å; Y123-Y127 HydrophobicContact CE2-CD2 4.16Å; Y123-Y127 HydrophobicContact CE2-CE2 4Å; Y123-Y127 AromaticContact CZ-CD2 3.83Å; Y123-Y127 AromaticContact CZ-CE2 3.68Å; Y123-Y127 VanDerWaalsContact OH-CE2 3.25Å; Y123-Y127 WeakPolarHBondContact OH-CE2 3.34Å; Y124-Y127 PolarHBondContact O-N 3.17Å; A125-Y127 PolarHBondContact O-N 3.2Å; Y127-D129 PolarHBondContact O-N 3.22Å; Y127-D129 VanDerWaalsContact O-N 3.08Å; Y127-K130 HydrophobicContact CD1-CB 4.27Å; Y127-K130 PolarHBondContact O-N 3.31Å; Y127-K470 HydrophobicContact CE1-CB 3.97Å; Y127-L473 HydrophobicContact CD1-CD1 4.02Å |
| 128 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A74 R77 Y124 A125 | A74-A128 VanDerWaalsContact O-CB 3.26Å; A74-A128 WeakPolarHBondContact O-CB 3.44Å; R77-A128 HydrophobicContact CB-CB 4.27Å; R77-A128 PolarHBondContact NH2-O 2.83Å; Y124-A128 PolarHBondContact O-N 2.7Å; A125-A128 PolarHBondContact O-N 3.24Å |
| 129 | D | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 66 Ų | 66 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 5.7 | 178.8 | 67.4 | -9.9 | 0 | 0 | 0 | 114.6 | A74 Y127 | A74-D129 HydrophobicContact CB-CB 3.92Å; Y127-D129 PolarHBondContact O-N 3.22Å; Y127-D129 VanDerWaalsContact O-N 3.08Å |
| 130 | K | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 64 Ų | 64 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | trans | -106.7 | 13.8 | -178.9 | -65 | 171.9 | -169.4 | 64.1 | 0 | 112.8 | G126 Y127 H132 | G126-K130 WeakPolarHBondContact O-CD 3.38Å; G126-K130 WeakPolarHBondContact O-CE 2.85Å; G126-K130 PolarHBondContact O-NZ 2.92Å; Y127-K130 HydrophobicContact CD1-CB 4.27Å; Y127-K130 PolarHBondContact O-N 3.31Å; K130-H132 PolarHBondContact O-CE1 2.81Å; K130-H132 PolarHBondContact O-N 3Å; K130-H132 VanDerWaalsContact O-N 3.1Å; K130-H132 PolarHBondContact O-ND1 2.83Å; K130-H132 VanDerWaalsContact O-ND1 3.14Å | ||
| 131 | I | 98 | Very high | 98.2 | Very high | 39 Ų | 39 | 67.9 Ų | 67.9 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | trans | -83.4 | 81.6 | 176.1 | -52 | 179.5 | 0 | 0 | 0 | 108.9 | R148 A177 L473 L477 | I131-R148 HydrophobicContact CG2-CB 3.77Å; I131-R148 HydrophobicContact CG2-CG 4.42Å; I131-A177 HydrophobicContact CD1-CB 4.5Å; I131-L473 HydrophobicContact CD1-CD1 4.03Å; I131-L473 HydrophobicContact CG1-CD1 4.03Å; I131-L477 HydrophobicContact CD1-CD2 4.45Å; I131-L477 HydrophobicContact CG2-CD1 3.5Å; I131-L477 VanDerWaalsContact CG2-CD1 3.5Å; I131-L477 HydrophobicContact CG2-CD2 3.92Å; I131-L477 HydrophobicContact CG2-CG 4.38Å | ||
| 132 | H | 98.1 | Very high | 98.1 | Very high | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | trans | -82.2 | 145.4 | -176.1 | -52.2 | 113.7 | 0 | 0 | 0 | 113.2 | K130 R148 | K130-H132 PolarHBondContact O-CE1 2.81Å; K130-H132 PolarHBondContact O-N 3Å; K130-H132 VanDerWaalsContact O-N 3.1Å; K130-H132 PolarHBondContact O-ND1 2.83Å; K130-H132 VanDerWaalsContact O-ND1 3.14Å; H132-R148 WeakPolarHBondContact O-CG 3.48Å | ||
| 133 | G | 97.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 71.2 Ų | 71.2 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | trans | -77 | -168.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T146 | G133-T146 WeakPolarHBondContact CA-O 3.47Š| ||
| 134 | K | 98.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 69.9 Ų | 69.9 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | trans | -128.3 | 139.6 | 175.3 | -60.6 | -176 | -179.2 | -177.5 | 0 | 109.6 | L136 F145 T146 | K134-L136 HydrophobicContact CB-CD2 3.93Å; K134-F145 CarbonylContact O-C 3.41Å; K134-F145 WeakPolarHBondContact O-CA 3.44Å; K134-F145 WeakPolarHBondContact O-CB 3.3Å; K134-T146 PolarHBondContact N-OG1 3.26Å; K134-T146 PolarHBondContact O-N 3.02Å | ||
| 135 | Q | 98.1 | Very high | 98.1 | Very high | 173 Ų | 173 | 73.5 Ų | 73.5 | 81% | 0.808 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 134.4 | 159.5 | -63.7 | -170 | 15.4 | 0 | 0 | 108.2 | F145 | Q135-F145 HydrophobicContact CG-CB 4.45Å |
| 136 | L | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.3 | -171.3 | -60 | 179.7 | 0 | 0 | 0 | 110 | K134 V138 T144 T146 | K134-L136 HydrophobicContact CB-CD2 3.93Å; L136-V138 HydrophobicContact CB-CG1 4.07Å; L136-V138 PolarHBondContact O-N 2.86Å; L136-T144 HydrophobicContact CB-CG2 4.08Å; L136-T144 HydrophobicContact CD1-CG2 4.01Å; L136-T144 HydrophobicContact CG-CG2 4.49Å; L136-T144 PolarHBondContact N-O 3.26Å; L136-T146 HydrophobicContact CD1-CG2 3.87Å; L136-T146 HydrophobicContact CG-CG2 4.5Å |
| 137 | P | 97.1 | Very high | 98 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 81% | 0.812 | 41% | 0.409 | S | S | * | . | trans | -79.5 | 69.9 | 178.3 | 33.8 | -35.5 | 0 | 0 | 0 | 110.4 | ||||
| 138 | V | 97.3 | Very high | 98.1 | Very high | 46 Ų | 46 | 79.3 Ų | 79.3 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | trans | -72.2 | 159.6 | -179.6 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | L136 M142 T144 K489 | L136-V138 HydrophobicContact CB-CG1 4.07Å; L136-V138 PolarHBondContact O-N 2.86Å; V138-M142 HydrophobicContact CG2-CB 3.75Å; V138-T144 HydrophobicContact CG1-CG2 3.97Å; V138-T144 WeakPolarHBondContact CG2-OG1 3.44Å; V138-K489 PolarHBondContact O-NZ 2.89Å | ||
| 139 | D | 98.1 | Very high | 98 | Very high | 151 Ų | 151 | 80.7 Ų | 80.7 | 81% | 0.807 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -67.5 | 156 | 172.1 | -66.8 | -26.8 | 0 | 0 | 0 | 112.2 | ||
| 140 | G | 97.1 | Very high | 98 | Very high | 46 Ų | 46 | 78.4 Ų | 78.4 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 79.3 | -177.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | M142 K489 | G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; G140-M142 VanDerWaalsContact O-N 3.16Å; G140-K489 WeakPolarHBondContact O-CD 3.38Å; G140-K489 WeakPolarHBondContact O-CE 3.49Å; G140-K489 PolarHBondContact O-NZ 2.92Å |
| 141 | N | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 43% | 0.428 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -86.6 | 66 | 178.3 | -70.9 | -31 | 0 | 0 | 0 | 111.1 | I486 S487 K489 | N141-I486 HydrophobicContact CB-CG1 4.48Å; N141-I486 VanDerWaalsContact CB-O 3.32Å; N141-I486 WeakPolarHBondContact CB-O 2.95Å; N141-I486 WeakPolarHBondContact O-CG1 3.24Å; N141-I486 PolarHBondContact O-N 2.94Å; N141-S487 PolarHBondContact ND2-O 3.37Å; N141-S487 VanDerWaalsContact ND2-O 3.16Å; N141-K489 PolarHBondContact OD1-N 3.03Å |
| 142 | M | 98 | Very high | 98.1 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.8 | 179.7 | -61.4 | -65.7 | -65.5 | 0 | 0 | 109.9 | V138 G140 M484 P485 | V138-M142 HydrophobicContact CG2-CB 3.75Å; G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; G140-M142 VanDerWaalsContact O-N 3.16Å; M142-M484 WeakPolarHBondContact CA-O 3.27Å; M142-P485 WeakPolarHBondContact SD-CA 3.27Å; M142-P485 HydrophobicContact SD-CB 3.86Å |
| 143 | I | 98 | Very high | 98.1 | Very high | 75 Ų | 75 | 66 Ų | 66 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.3 | 157.4 | -169.5 | 169.5 | 0 | 0 | 0 | 108.2 | S483 M484 I486 | I143-S483 WeakPolarHBondContact O-CA 3.45Å; I143-M484 HydrophobicContact CG2-CB 3.87Å; I143-M484 HydrophobicContact CG2-CE 3.78Å; I143-M484 PolarHBondContact N-O 3.06Å; I143-M484 PolarHBondContact O-N 2.71Å; I143-I486 HydrophobicContact CB-CD1 4.46Å; I143-I486 HydrophobicContact CB-CG2 4.2Å; I143-I486 HydrophobicContact CG2-CG2 3.79Å |
| 144 | T | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.5 | -177.9 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | L136 V138 V481 I482 S483 | L136-T144 HydrophobicContact CB-CG2 4.08Å; L136-T144 HydrophobicContact CD1-CG2 4.01Å; L136-T144 HydrophobicContact CG-CG2 4.49Å; L136-T144 PolarHBondContact N-O 3.26Å; V138-T144 HydrophobicContact CG1-CG2 3.97Å; V138-T144 WeakPolarHBondContact CG2-OG1 3.44Å; T144-V481 HydrophobicContact CG2-CG1 3.64Å; T144-I482 WeakPolarHBondContact CA-O 3.49Å; T144-S483 WeakPolarHBondContact CG2-OG 2.75Å; T144-S483 WeakPolarHBondContact OG1-CB 3.2Å; T144-S483 PolarHBondContact OG1-OG 3.38Å |
| 145 | F | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 164.6 | 174.9 | 61.1 | -85.3 | 0 | 0 | 0 | 111.3 | K134 Q135 R147 I482 | K134-F145 CarbonylContact O-C 3.41Å; K134-F145 WeakPolarHBondContact O-CA 3.44Å; K134-F145 WeakPolarHBondContact O-CB 3.3Å; Q135-F145 HydrophobicContact CG-CB 4.45Å; F145-R147 HydrophobicContact CE2-CG 4.47Å; F145-I482 HydrophobicContact CD2-CB 4.48Å; F145-I482 HydrophobicContact CE1-CB 4.15Å; F145-I482 HydrophobicContact CE1-CG2 3.96Å; F145-I482 HydrophobicContact CE2-CB 4.02Å; F145-I482 HydrophobicContact CE2-CD1 3.87Å; F145-I482 HydrophobicContact CE2-CG1 4.39Å; F145-I482 HydrophobicContact CE2-CG2 4.43Å; F145-I482 HydrophobicContact CZ-CB 3.84Å; F145-I482 HydrophobicContact CZ-CD1 4.05Å; F145-I482 HydrophobicContact CZ-CG2 3.76Å; F145-I482 PolarHBondContact N-O 2.69Å; F145-I482 PolarHBondContact O-N 2.72Å |
| 146 | T | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147.3 | 176.8 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | G133 K134 L136 T479 K480 V481 | G133-T146 WeakPolarHBondContact CA-O 3.47Å; K134-T146 PolarHBondContact N-OG1 3.26Å; K134-T146 PolarHBondContact O-N 3.02Å; L136-T146 HydrophobicContact CD1-CG2 3.87Å; L136-T146 HydrophobicContact CG-CG2 4.5Å; T146-T479 HydrophobicContact CG2-CG2 4.04Å; T146-K480 CarbonylContact C-O 3.43Å; T146-K480 VanDerWaalsContact CA-O 3.26Å; T146-K480 WeakPolarHBondContact CA-O 3.33Å; T146-V481 HydrophobicContact CG2-CG2 4.16Å |
| 147 | R | 98.4 | Very high | 98.3 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 47% | 0.468 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.8 | 162.3 | -68.3 | 174.6 | 55.9 | 76.8 | 3.2 | 108.9 | F145 E149 T479 K480 I482 | F145-R147 HydrophobicContact CE2-CG 4.47Å; R147-E149 HydrophobicContact CB-CG 4.07Å; R147-E149 IonicContact CZ-OE1 2.8Å; R147-E149 IonicContact NE-OE1 2.75Å; R147-E149 PolarHBondContact NE-OE1 3.27Å; R147-E149 IonicContact NH2-OE1 2.84Å; R147-T479 WeakPolarHBondContact O-CA 3.34Å; R147-K480 HydrophobicContact CB-CB 4.43Å; R147-K480 PolarHBondContact N-O 2.93Å; R147-K480 PolarHBondContact O-N 3.38Å; R147-I482 VanDerWaalsContact CD-CD1 3.48Å; R147-I482 HydrophobicContact CG-CD1 4.12Å |
| 148 | R | 98.2 | Very high | 98.4 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 96.3 | 170.5 | -63.3 | -66.9 | -69.1 | -148.7 | -12.7 | 107.2 | I131 H132 D474 L477 T479 | I131-R148 HydrophobicContact CG2-CB 3.77Å; I131-R148 HydrophobicContact CG2-CG 4.42Å; H132-R148 WeakPolarHBondContact O-CG 3.48Å; R148-D474 IonicContact CZ-OD1 3.62Å; R148-D474 IonicContact NH2-OD1 3.48Å; R148-D474 PolarHBondContact NH2-OD1 2.88Å; R148-L477 HydrophobicContact CB-CD1 4.39Å; R148-L477 HydrophobicContact CB-CD2 4.32Å; R148-T479 WeakPolarHBondContact CD-OG1 3.44Å; R148-T479 PolarHBondContact NH1-OG1 2.88Å |
| 149 | E | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 148.6 | -176.2 | -61 | -174.4 | 170.1 | 0 | 0 | 110.1 | R147 L477 Q478 K480 | R147-E149 HydrophobicContact CB-CG 4.07Å; R147-E149 IonicContact CZ-OE1 2.8Å; R147-E149 IonicContact NE-OE1 2.75Å; R147-E149 PolarHBondContact NE-OE1 3.27Å; R147-E149 IonicContact NH2-OE1 2.84Å; E149-L477 CarbonylContact O-C 3.55Å; E149-L477 VanDerWaalsContact O-CA 3.3Å; E149-L477 WeakPolarHBondContact O-CA 3.42Å; E149-Q478 PolarHBondContact N-O 2.77Å; E149-Q478 PolarHBondContact O-N 2.99Å; E149-K480 IonicContact OE1-NZ 2.86Å; E149-K480 PolarHBondContact OE1-NZ 3.48Å; E149-K480 VanDerWaalsContact OE2-CE 3.31Å; E149-K480 WeakPolarHBondContact OE2-CE 3.04Å; E149-K480 IonicContact OE2-NZ 2.7Å; E149-K480 PolarHBondContact OE2-NZ 3.39Å |
| 150 | P | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 17% | 0.169 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 144.3 | 171.4 | 19.7 | -29.4 | 0 | 0 | 0 | 111.8 | F63 G152 A177 G178 C179 Y476 | F63-P150 HydrophobicContact CE2-CB 3.7Å; F63-P150 HydrophobicContact CE2-CG 3.54Å; F63-P150 HydrophobicContact CZ-CB 3.97Å; F63-P150 HydrophobicContact CZ-CG 3.73Å; P150-G152 VanDerWaalsContact C-N 3.31Å; P150-G152 PolarHBondContact O-N 2.99Å; P150-A177 WeakPolarHBondContact CB-O 3.33Å; P150-G178 VanDerWaalsContact CB-C 3.41Å; P150-G178 WeakPolarHBondContact CB-O 3.47Å; P150-G178 WeakPolarHBondContact CG-O 3.33Å; P150-C179 HydrophobicContact CB-CB 4.42Å; P150-C179 VanDerWaalsContact CB-SG 3.52Å; P150-Y476 WeakPolarHBondContact CA-O 3.42Å |
| 151 | V | 98.2 | Very high | 98.5 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | -69.6 | -24.2 | -178.9 | -69.6 | 0 | 0 | 0 | 0 | 114 | V154 R231 A232 Y476 Q478 | V151-V154 HydrophobicContact CG2-CG2 3.91Å; V151-R231 VanDerWaalsContact O-CB 3.25Å; V151-R231 WeakPolarHBondContact O-CB 3.12Å; V151-R231 WeakPolarHBondContact O-CG 3.46Å; V151-A232 HydrophobicContact CG2-CB 3.85Å; V151-Y476 PolarHBondContact N-O 3.48Å; V151-Q478 HydrophobicContact CG1-CB 4.23Å | ||
| 152 | G | 98.5 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 125.5 | -134.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F63 P150 C179 T180 | F63-G152 VanDerWaalsContact CE1-CA 3.46Å; F63-G152 VanDerWaalsContact CZ-CA 3.47Å; P150-G152 VanDerWaalsContact C-N 3.31Å; P150-G152 PolarHBondContact O-N 2.99Å; G152-C179 WeakPolarHBondContact O-CB 3.08Å; G152-T180 PolarHBondContact O-N 3.47Å; G152-T180 VanDerWaalsContact O-N 3.12Å |
| 153 | V | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.4 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V56 A59 K60 V182 V230 R231 A232 | V56-V153 HydrophobicContact CG1-CG1 4.35Å; A59-V153 HydrophobicContact CB-CB 4.47Å; A59-V153 HydrophobicContact CB-CG1 3.8Å; A59-V153 HydrophobicContact CB-CG2 3.92Å; K60-V153 HydrophobicContact CB-CG2 4.21Å; V153-V182 HydrophobicContact CG1-CG2 4.08Å; V153-V230 HydrophobicContact CG1-CG2 4.33Å; V153-R231 PolarHBondContact O-N 2.91Å; V153-A232 PolarHBondContact O-N 3.44Å |
| 154 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.6 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | V151 C179 T180 V181 V182 A232 Y476 | V151-V154 HydrophobicContact CG2-CG2 3.91Å; V154-C179 HydrophobicContact CG2-CB 3.71Å; V154-T180 PolarHBondContact N-O 2.69Å; V154-V181 WeakPolarHBondContact O-CA 3.27Å; V154-V182 PolarHBondContact O-N 2.88Å; V154-A232 WeakPolarHBondContact CA-O 3.24Å; V154-A232 HydrophobicContact CG1-CB 4.14Å; V154-A232 HydrophobicContact CG2-CB 4.16Å; V154-Y476 HydrophobicContact CG1-CD1 4.19Å; V154-Y476 HydrophobicContact CG1-CE1 3.93Å; V154-Y476 HydrophobicContact CG2-CD1 4.26Å |
| 155 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V182 L224 V230 A232 I233 S234 | A155-V182 WeakPolarHBondContact CA-O 3.49Å; A155-L224 HydrophobicContact CB-CD1 4.05Å; A155-L224 HydrophobicContact CB-CD2 3.7Å; A155-L224 HydrophobicContact CB-CG 3.59Å; A155-V230 HydrophobicContact CB-CG1 3.74Å; A155-A232 PolarHBondContact N-O 2.72Å; A155-I233 HydrophobicContact CB-CG1 4.35Å; A155-I233 HydrophobicContact CB-CG2 4.49Å; A155-I233 CarbonylContact O-C 3.57Å; A155-I233 WeakPolarHBondContact O-CA 3.49Å; A155-S234 PolarHBondContact O-N 2.9Å |
| 156 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.1 | 173.3 | -68.5 | 0 | 0 | 0 | 0 | 108.1 | K170 V181 V182 L183 K184 S234 | C156-K170 HydrophobicContact CB-CB 3.92Å; C156-K170 HydrophobicContact CB-CD 4.16Å; C156-V181 HydrophobicContact CB-CG1 4.08Å; C156-V182 PolarHBondContact N-O 2.97Å; C156-L183 HydrophobicContact CB-CD1 3.85Å; C156-L183 CarbonylContact O-C 3.47Å; C156-L183 VanDerWaalsContact O-CA 3.29Å; C156-L183 WeakPolarHBondContact O-CA 3.05Å; C156-L183 WeakPolarHBondContact O-CD1 3.34Å; C156-K184 PolarHBondContact O-N 3.19Å; C156-S234 WeakPolarHBondContact CA-O 3.48Å |
| 157 | I | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 7% | 0.067 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.3 | -179.5 | -59.5 | 169.4 | 0 | 0 | 0 | 107.8 | K170 K184 L224 T225 I233 S234 F235 T236 I245 | I157-K170 WeakPolarHBondContact O-CE 3.22Å; I157-K184 WeakPolarHBondContact CA-O 3.45Å; I157-K184 HydrophobicContact CG1-CB 4.26Å; I157-K184 HydrophobicContact CG2-CD 4.3Å; I157-L224 HydrophobicContact CG1-CD2 4.31Å; I157-T225 HydrophobicContact CD1-CG2 3.42Å; I157-T225 VanDerWaalsContact CD1-CG2 3.42Å; I157-I233 HydrophobicContact CD1-CG2 4.44Å; I157-S234 PolarHBondContact N-O 2.82Å; I157-F235 HydrophobicContact CB-CD2 3.89Å; I157-F235 HydrophobicContact CG2-CD2 3.68Å; I157-F235 HydrophobicContact CG2-CE2 4.01Å; I157-T236 PolarHBondContact O-N 3.08Å; I157-I245 HydrophobicContact CD1-CD1 4.4Å |
| 158 | T | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | trans | -111.9 | 149.1 | -173.1 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | L166 K170 L183 K184 P185 A186 | T158-L166 HydrophobicContact CG2-CB 4.11Å; T158-L166 WeakPolarHBondContact CG2-O 3.13Å; T158-K170 HydrophobicContact CG2-CB 4.42Å; T158-K170 HydrophobicContact CG2-CD 3.57Å; T158-K170 HydrophobicContact CG2-CG 4.03Å; T158-L183 HydrophobicContact CG2-CD1 3.9Å; T158-K184 PolarHBondContact N-O 3.4Å; T158-K184 VanDerWaalsContact N-O 3.1Å; T158-P185 WeakPolarHBondContact OG1-CA 3.05Å; T158-A186 PolarHBondContact O-N 2.97Å; T158-A186 VanDerWaalsContact O-N 3.12Å | ||
| 159 | P | 98.7 | Very high | 98.7 | Very high | 17 Ų | 17 | 9.9 Ų | 9.9 | 11% | 0.11 | 5% | 0.051 | C | C | . | . | trans | -86.1 | -177.9 | 174.9 | 40 | -39 | 0 | 0 | 0 | 110.1 | N161 L166 T236 | P159-N161 VanDerWaalsContact CG-OD1 3.3Å; P159-N161 WeakPolarHBondContact CG-OD1 3.22Å; P159-L166 HydrophobicContact CG-CD1 3.4Å; P159-L166 VanDerWaalsContact CG-CD1 3.4Å; P159-T236 WeakPolarHBondContact CD-O 3.44Å; P159-T236 HydrophobicContact CG-CG2 3.79Å | ||
| 160 | W | 98.7 | Very high | 98.7 | Very high | 23 Ų | 23 | 8.4 Ų | 8.4 | 9% | 0.087 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -96.2 | -5.5 | -172.8 | 49.4 | -105.6 | 0 | 0 | 0 | 115.1 | N103 P163 A186 Q188 T189 Q291 I336 Q340 F392 | N103-W160 PolarHBondContact ND2-O 3.49Å; W160-P163 VanDerWaalsContact O-CD 3.23Å; W160-P163 WeakPolarHBondContact O-CD 3.49Å; W160-P163 VanDerWaalsContact O-CG 3.25Å; W160-P163 WeakPolarHBondContact O-CG 3.49Å; W160-A186 HydrophobicContact CB-CB 3.68Å; W160-A186 HydrophobicContact CG-CB 4.4Å; W160-Q188 HydrophobicContact CB-CB 3.95Å; W160-Q188 HydrophobicContact CG-CB 4.32Å; W160-Q188 HydrophobicContact CG-CG 4.42Å; W160-T189 VanDerWaalsContact CA-OG1 3.29Å; W160-T189 WeakPolarHBondContact CA-OG1 3.46Å; W160-T189 HydrophobicContact CB-CG2 3.83Å; W160-T189 WeakPolarHBondContact CB-OG1 3.39Å; W160-Q291 HydrophobicContact CH2-CB 4.07Å; W160-Q291 HydrophobicContact CH2-CG 3.97Å; W160-Q291 HydrophobicContact CZ3-CB 3.81Å; W160-Q291 VanDerWaalsContact CZ3-CD 3.49Å; W160-Q291 HydrophobicContact CZ3-CG 3.9Å; W160-Q291 VanDerWaalsContact CZ3-OE1 3.23Å; W160-I336 HydrophobicContact CB-CG1 4.25Å; W160-I336 HydrophobicContact CD2-CB 4.04Å; W160-I336 HydrophobicContact CD2-CG1 3.87Å; W160-I336 HydrophobicContact CD2-CG2 3.75Å; W160-I336 HydrophobicContact CE3-CB 3.52Å; W160-I336 HydrophobicContact CE3-CD1 4.34Å; W160-I336 HydrophobicContact CE3-CG1 3.67Å; W160-I336 HydrophobicContact CE3-CG2 3.57Å; W160-I336 HydrophobicContact CG-CG1 4.11Å; W160-I336 HydrophobicContact CH2-CB 4.12Å; W160-I336 HydrophobicContact CH2-CG2 3.4Å; W160-I336 VanDerWaalsContact CH2-CG2 3.4Å; W160-I336 HydrophobicContact CZ2-CG2 3.63Å; W160-I336 HydrophobicContact CZ3-CB 3.59Å; W160-I336 HydrophobicContact CZ3-CG1 4.27Å; W160-I336 HydrophobicContact CZ3-CG2 3.41Å; W160-I336 VanDerWaalsContact CZ3-CG2 3.41Å; W160-Q340 HydrophobicContact CH2-CG 3.98Å; W160-Q340 HydrophobicContact CZ2-CG 3.63Å; W160-F392 AromaticContact CH2-CD1 3.41Å; W160-F392 HydrophobicContact CH2-CD1 3.41Å; W160-F392 VanDerWaalsContact CH2-CD1 3.41Å; W160-F392 AromaticContact CH2-CE1 3.28Å; W160-F392 HydrophobicContact CH2-CE1 3.28Å; W160-F392 AromaticContact CZ2-CD1 3.74Å; W160-F392 HydrophobicContact CZ2-CD1 3.74Å; W160-F392 AromaticContact CZ2-CE1 3.6Å; W160-F392 HydrophobicContact CZ2-CE1 3.6Å; W160-F392 HydrophobicContact CZ3-CD1 4.36Å; W160-F392 AromaticContact CZ3-CE1 3.9Å; W160-F392 HydrophobicContact CZ3-CE1 3.9Å |
| 161 | N | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 7.3 Ų | 7.3 | 4% | 0.037 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -82.3 | -31.3 | -169.3 | 66.5 | -36.2 | 0 | 0 | 0 | 114.1 | K105 P159 L166 N288 Q291 F392 | K105-N161 PolarHBondContact NZ-O 2.9Å; K105-N161 VanDerWaalsContact NZ-O 3.12Å; P159-N161 VanDerWaalsContact CG-OD1 3.3Å; P159-N161 WeakPolarHBondContact CG-OD1 3.22Å; N161-L166 WeakPolarHBondContact OD1-CD1 2.93Å; N161-N288 PolarHBondContact O-ND2 2.72Å; N161-Q291 HydrophobicContact CB-CB 4.25Å; N161-Q291 WeakPolarHBondContact CB-O 3.4Å; N161-Q291 PolarHBondContact ND2-O 3.06Å; N161-F392 HydrophobicContact CB-CE1 4Å; N161-F392 HydrophobicContact CB-CZ 4.02Å |
| 162 | Y | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 6.7 Ų | 6.7 | 11% | 0.106 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -132.1 | 63.9 | 168.5 | -60.3 | -91.1 | 0 | 0 | 0 | 110.2 | D113 F164 F165 L166 N288 C292 | D113-Y162 WeakPolarHBondContact OD2-CD1 3.29Å; Y162-F164 PolarHBondContact O-N 3.24Å; Y162-F165 PolarHBondContact O-N 3.08Å; Y162-L166 WeakPolarHBondContact O-CB 3.32Å; Y162-L166 WeakPolarHBondContact O-CG 3.42Å; Y162-L166 PolarHBondContact O-N 2.93Å; Y162-N288 HydrophobicContact CE1-CB 4.2Å; Y162-N288 WeakPolarHBondContact OH-CB 3.47Å; Y162-C292 HydrophobicContact CE2-CB 4.42Å |
| 163 | P | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.7 | -53.8 | -162.1 | -11.3 | 12.6 | 0 | 0 | 0 | 113.9 | E99 N103 W160 S167 T189 | E99-P163 VanDerWaalsContact OE1-CB 3.22Å; E99-P163 WeakPolarHBondContact OE1-CB 3.5Å; E99-P163 VanDerWaalsContact OE1-CG 3.26Å; E99-P163 WeakPolarHBondContact OE1-CG 3.42Å; E99-P163 VanDerWaalsContact OE2-CD 3.22Å; E99-P163 WeakPolarHBondContact OE2-CD 3.37Å; N103-P163 HydrophobicContact CB-CG 4.28Å; W160-P163 VanDerWaalsContact O-CD 3.23Å; W160-P163 WeakPolarHBondContact O-CD 3.49Å; W160-P163 VanDerWaalsContact O-CG 3.25Å; W160-P163 WeakPolarHBondContact O-CG 3.49Å; P163-S167 VanDerWaalsContact O-CB 3.32Å; P163-S167 WeakPolarHBondContact O-CB 3.49Å; P163-S167 PolarHBondContact O-N 2.7Å; P163-S167 VanDerWaalsContact O-N 3.08Å; P163-S167 PolarHBondContact O-OG 2.88Å; P163-T189 WeakPolarHBondContact CB-OG1 3.43Å; P163-T189 VanDerWaalsContact CG-CB 3.42Å; P163-T189 HydrophobicContact CG-CG2 3.74Å; P163-T189 VanDerWaalsContact CG-OG1 3.32Å; P163-T189 WeakPolarHBondContact CG-OG1 3.48Å |
| 164 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 180 | -175.2 | -99.1 | 0 | 0 | 0 | 111.4 | I88 I95 E99 V114 A117 Y162 L166 S167 V168 S192 L196 | I88-F164 HydrophobicContact CD1-CZ 4.25Å; I88-F164 HydrophobicContact CG1-CZ 4.01Å; I88-F164 HydrophobicContact CG2-CE1 3.72Å; I88-F164 HydrophobicContact CG2-CZ 3.84Å; I95-F164 HydrophobicContact CD1-CE1 4.38Å; I95-F164 HydrophobicContact CD1-CE2 4.03Å; I95-F164 HydrophobicContact CD1-CZ 3.76Å; I95-F164 HydrophobicContact CG1-CE2 4.37Å; I95-F164 HydrophobicContact CG2-CB 4.19Å; I95-F164 HydrophobicContact CG2-CD1 3.86Å; I95-F164 HydrophobicContact CG2-CD2 3.47Å; I95-F164 VanDerWaalsContact CG2-CD2 3.47Å; I95-F164 HydrophobicContact CG2-CE1 4.07Å; I95-F164 HydrophobicContact CG2-CE2 3.7Å; I95-F164 HydrophobicContact CG2-CG 3.55Å; I95-F164 HydrophobicContact CG2-CZ 4Å; E99-F164 HydrophobicContact CG-CB 3.92Å; E99-F164 WeakPolarHBondContact OE1-CB 3.47Å; E99-F164 PolarHBondContact OE1-N 2.98Å; V114-F164 HydrophobicContact CG1-CE1 4.08Å; V114-F164 HydrophobicContact CG2-CD1 3.99Å; V114-F164 HydrophobicContact CG2-CE1 4.32Å; A117-F164 HydrophobicContact CB-CD1 4.03Å; A117-F164 HydrophobicContact CB-CE1 3.8Å; Y162-F164 PolarHBondContact O-N 3.24Å; F164-L166 PolarHBondContact O-N 2.97Å; F164-S167 WeakPolarHBondContact O-CB 3.46Å; F164-S167 PolarHBondContact O-N 2.71Å; F164-V168 HydrophobicContact CD1-CG2 4.33Å; F164-V168 HydrophobicContact CE1-CG2 3.9Å; F164-V168 HydrophobicContact CZ-CG2 4.03Å; F164-V168 WeakPolarHBondContact O-CG2 3.26Å; F164-V168 PolarHBondContact O-N 2.82Å; F164-S192 PolarHBondContact N-OG 3.34Å; F164-L196 HydrophobicContact CE2-CB 3.96Å; F164-L196 HydrophobicContact CE2-CD1 4.36Å; F164-L196 HydrophobicContact CZ-CD1 4.41Å |
| 165 | F | 98.7 | Very high | 98.7 | Very high | 17 Ų | 17 | 6.6 Ų | 6.6 | 8% | 0.075 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | -177.3 | 169.9 | -113.6 | 0 | 0 | 0 | 112.3 | D113 F116 A117 Y162 S167 V168 L169 F468 | D113-F165 HydrophobicContact CB-CB 4.28Å; F116-F165 AromaticContact CD1-CD2 3.93Å; F116-F165 HydrophobicContact CD1-CD2 3.93Å; F116-F165 HydrophobicContact CD1-CE1 4.22Å; F116-F165 AromaticContact CD1-CE2 3.26Å; F116-F165 HydrophobicContact CD1-CE2 3.26Å; F116-F165 AromaticContact CD1-CZ 3.41Å; F116-F165 HydrophobicContact CD1-CZ 3.41Å; F116-F165 VanDerWaalsContact CD1-CZ 3.41Å; F116-F165 HydrophobicContact CE1-CE1 4.25Å; F116-F165 AromaticContact CE1-CE2 3.64Å; F116-F165 HydrophobicContact CE1-CE2 3.64Å; F116-F165 AromaticContact CE1-CZ 3.37Å; F116-F165 HydrophobicContact CE1-CZ 3.37Å; F116-F165 HydrophobicContact CG-CE2 4.21Å; A117-F165 HydrophobicContact CB-CD2 4.01Å; Y162-F165 PolarHBondContact O-N 3.08Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.13Å; F165-V168 PolarHBondContact O-N 2.91Å; F165-L169 HydrophobicContact CE1-CD2 4.06Å; F165-L169 HydrophobicContact CZ-CB 4.4Å; F165-L169 HydrophobicContact CZ-CD2 4.04Å; F165-L169 WeakPolarHBondContact O-CB 3.36Å; F165-L169 PolarHBondContact O-N 2.91Å; F165-F468 HydrophobicContact CE1-CZ 4.14Å; F165-F468 HydrophobicContact CE2-CE1 4.4Å; F165-F468 AromaticContact CZ-CE1 3.7Å; F165-F468 HydrophobicContact CZ-CE1 3.7Å; F165-F468 AromaticContact CZ-CZ 3.58Å; F165-F468 HydrophobicContact CZ-CZ 3.58Å |
| 166 | L | 98.7 | Very high | 98.7 | Very high | 14 Ų | 14 | 6.6 Ų | 6.6 | 7% | 0.073 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -70.3 | -30.8 | -179.5 | -67.4 | 174.6 | 0 | 0 | 0 | 112.3 | T158 P159 N161 Y162 F164 L169 K170 T236 | T158-L166 HydrophobicContact CG2-CB 4.11Å; T158-L166 WeakPolarHBondContact CG2-O 3.13Å; P159-L166 HydrophobicContact CG-CD1 3.4Å; P159-L166 VanDerWaalsContact CG-CD1 3.4Å; N161-L166 WeakPolarHBondContact OD1-CD1 2.93Å; Y162-L166 WeakPolarHBondContact O-CB 3.32Å; Y162-L166 WeakPolarHBondContact O-CG 3.42Å; Y162-L166 PolarHBondContact O-N 2.93Å; F164-L166 PolarHBondContact O-N 2.97Å; L166-L169 HydrophobicContact CD2-CD2 3.84Å; L166-L169 PolarHBondContact O-N 3.14Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 WeakPolarHBondContact O-CG 3.22Å; L166-K170 PolarHBondContact O-N 2.92Å; L166-T236 HydrophobicContact CD1-CG2 4.42Å |
| 167 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 171.5 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | P163 F164 F165 G171 | P163-S167 VanDerWaalsContact O-CB 3.32Å; P163-S167 WeakPolarHBondContact O-CB 3.49Å; P163-S167 PolarHBondContact O-N 2.7Å; P163-S167 VanDerWaalsContact O-N 3.08Å; P163-S167 PolarHBondContact O-OG 2.88Å; F164-S167 WeakPolarHBondContact O-CB 3.46Å; F164-S167 PolarHBondContact O-N 2.71Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.13Å; S167-G171 PolarHBondContact O-N 2.87Å |
| 168 | V | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.012 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | I88 A117 T121 F164 F165 K170 G171 T172 L196 | I88-V168 HydrophobicContact CD1-CG2 4.12Å; A117-V168 HydrophobicContact CB-CB 4.04Å; A117-V168 HydrophobicContact CB-CG1 4.01Å; A117-V168 HydrophobicContact CB-CG2 4.09Å; T121-V168 WeakPolarHBondContact OG1-CG1 3.21Å; F164-V168 HydrophobicContact CD1-CG2 4.33Å; F164-V168 HydrophobicContact CE1-CG2 3.9Å; F164-V168 HydrophobicContact CZ-CG2 4.03Å; F164-V168 WeakPolarHBondContact O-CG2 3.26Å; F164-V168 PolarHBondContact O-N 2.82Å; F165-V168 PolarHBondContact O-N 2.91Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 2.56Å; V168-G171 PolarHBondContact O-N 3.4Å; V168-T172 WeakPolarHBondContact CG1-OG1 3.5Å; V168-T172 VanDerWaalsContact O-CB 3.22Å; V168-T172 WeakPolarHBondContact O-CB 3.18Å; V168-T172 PolarHBondContact O-N 3.4Å; V168-T172 PolarHBondContact O-OG1 2.8Å; V168-L196 HydrophobicContact CG2-CD1 3.89Å; V168-L196 HydrophobicContact CG2-CD2 3.78Å; V168-L196 HydrophobicContact CG2-CG 4.47Å |
| 169 | L | 98.5 | Very high | 98.7 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | -178.5 | 177.7 | 58.3 | 0 | 0 | 0 | 112.3 | T120 F165 L166 P173 E467 F468 | T120-L169 HydrophobicContact CG2-CD1 4.04Å; F165-L169 HydrophobicContact CE1-CD2 4.06Å; F165-L169 HydrophobicContact CZ-CB 4.4Å; F165-L169 HydrophobicContact CZ-CD2 4.04Å; F165-L169 WeakPolarHBondContact O-CB 3.36Å; F165-L169 PolarHBondContact O-N 2.91Å; L166-L169 HydrophobicContact CD2-CD2 3.84Å; L166-L169 PolarHBondContact O-N 3.14Å; L169-P173 WeakPolarHBondContact O-CD 3.46Å; L169-P173 WeakPolarHBondContact O-CG 3.24Å; L169-E467 HydrophobicContact CD2-CB 4.43Å; L169-E467 WeakPolarHBondContact CD2-OE2 3.44Å; L169-F468 HydrophobicContact CD1-CD1 3.54Å; L169-F468 HydrophobicContact CD1-CD2 4.38Å; L169-F468 HydrophobicContact CD1-CE1 3.35Å; L169-F468 HydrophobicContact CD1-CE2 4.23Å; L169-F468 HydrophobicContact CD1-CG 4.1Å; L169-F468 HydrophobicContact CD1-CZ 3.73Å; L169-F468 HydrophobicContact CD2-CE1 3.95Å; L169-F468 HydrophobicContact CD2-CE2 3.78Å; L169-F468 HydrophobicContact CD2-CZ 3.42Å; L169-F468 VanDerWaalsContact CD2-CZ 3.42Å; L169-F468 HydrophobicContact CG-CE1 4.27Å; L169-F468 HydrophobicContact CG-CZ 4.23Å |
| 170 | K | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -76.8 | -45.7 | 176.8 | -70.4 | -160.2 | -179 | -63.8 | 0 | 112.7 | C156 I157 T158 L166 V168 C174 S234 F235 T236 E467 | C156-K170 HydrophobicContact CB-CB 3.92Å; C156-K170 HydrophobicContact CB-CD 4.16Å; I157-K170 WeakPolarHBondContact O-CE 3.22Å; T158-K170 HydrophobicContact CG2-CB 4.42Å; T158-K170 HydrophobicContact CG2-CD 3.57Å; T158-K170 HydrophobicContact CG2-CG 4.03Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 WeakPolarHBondContact O-CG 3.22Å; L166-K170 PolarHBondContact O-N 2.92Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 2.56Å; K170-C174 PolarHBondContact O-SG 2.98Å; K170-S234 WeakPolarHBondContact CD-O 3.33Å; K170-S234 PolarHBondContact NZ-OG 2.86Å; K170-F235 VanDerWaalsContact NZ-C 3.35Å; K170-T236 WeakPolarHBondContact CE-OG1 3.26Å; K170-T236 PolarHBondContact NZ-OG1 3.13Å; K170-E467 IonicContact NZ-OE1 2.74Å; K170-E467 PolarHBondContact NZ-OE1 3.45Å |
| 171 | G | 98.5 | Very high | 98.7 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 2% | 0.021 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -67.2 | -47.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | S167 V168 C174 L175 | S167-G171 PolarHBondContact O-N 2.87Å; V168-G171 PolarHBondContact O-N 3.4Å; G171-C174 VanDerWaalsContact O-CB 3.3Å; G171-C174 WeakPolarHBondContact O-CB 3.45Å; G171-C174 PolarHBondContact O-N 3.48Å; G171-C174 VanDerWaalsContact O-N 3.14Å; G171-L175 WeakPolarHBondContact O-CG 3.37Å; G171-L175 PolarHBondContact O-N 3.35Å |
| 172 | T | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 3.8 Ų | 3.8 | 2% | 0.018 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | -171.7 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | L81 T121 Y124 V168 C174 L175 C176 | L81-T172 HydrophobicContact CD1-CG2 4.5Å; L81-T172 HydrophobicContact CD2-CG2 3.89Å; T121-T172 HydrophobicContact CG2-CG2 4.16Å; Y124-T172 HydrophobicContact CD2-CG2 3.73Å; Y124-T172 HydrophobicContact CG-CG2 4.02Å; V168-T172 WeakPolarHBondContact CG1-OG1 3.5Å; V168-T172 VanDerWaalsContact O-CB 3.22Å; V168-T172 WeakPolarHBondContact O-CB 3.18Å; V168-T172 PolarHBondContact O-N 3.4Å; V168-T172 PolarHBondContact O-OG1 2.8Å; T172-C174 VanDerWaalsContact C-N 3.26Å; T172-C174 PolarHBondContact O-N 3.01Å; T172-L175 PolarHBondContact O-N 3.06Å; T172-C176 WeakPolarHBondContact O-CB 3.45Å; T172-C176 PolarHBondContact O-N 3.36Å |
| 173 | P | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 2.5 Ų | 2.5 | 1% | 0.013 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.9 | -30.8 | 178.1 | 24 | -33.5 | 0 | 0 | 0 | 112.7 | Y124 L169 A177 A472 L473 Y476 | Y124-P173 HydrophobicContact CD1-CB 4.12Å; Y124-P173 HydrophobicContact CD2-CB 4.49Å; Y124-P173 HydrophobicContact CE1-CB 3.77Å; Y124-P173 HydrophobicContact CE2-CB 4.15Å; Y124-P173 HydrophobicContact CE2-CG 4.29Å; Y124-P173 HydrophobicContact CG-CB 4.46Å; L169-P173 WeakPolarHBondContact O-CD 3.46Å; L169-P173 WeakPolarHBondContact O-CG 3.24Å; P173-A177 WeakPolarHBondContact O-CB 3.49Å; P173-A177 PolarHBondContact O-N 3.38Å; P173-A472 HydrophobicContact CB-CB 4.33Å; P173-L473 HydrophobicContact CB-CD2 4.02Å; P173-Y476 HydrophobicContact CB-CD2 4.01Å; P173-Y476 HydrophobicContact CB-CE2 3.78Å; P173-Y476 HydrophobicContact CG-CD2 4.44Å; P173-Y476 HydrophobicContact CG-CE2 3.75Å |
| 174 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 173 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | K170 G171 T172 A177 G178 C179 V181 Y476 | K170-C174 PolarHBondContact O-SG 2.98Å; G171-C174 VanDerWaalsContact O-CB 3.3Å; G171-C174 WeakPolarHBondContact O-CB 3.45Å; G171-C174 PolarHBondContact O-N 3.48Å; G171-C174 VanDerWaalsContact O-N 3.14Å; T172-C174 VanDerWaalsContact C-N 3.26Å; T172-C174 PolarHBondContact O-N 3.01Å; C174-A177 PolarHBondContact O-N 2.97Å; C174-G178 PolarHBondContact O-N 2.94Å; C174-G178 VanDerWaalsContact O-N 3.16Å; C174-C179 HydrophobicContact CB-CB 4.13Å; C174-C179 WeakPolarHBondContact O-CB 3.29Å; C174-C179 PolarHBondContact O-N 3.02Å; C174-V181 HydrophobicContact CB-CG2 3.51Å; C174-Y476 WeakPolarHBondContact SG-CE1 3.47Å; C174-Y476 VanDerWaalsContact SG-CZ 3.52Å |
| 175 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 2.8 Ų | 2.8 | 1% | 0.01 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.9 | -64.3 | 174.5 | 0 | 0 | 0 | 111.6 | W69 L81 G171 T172 A177 G178 V181 F205 V209 F210 | W69-L175 HydrophobicContact CZ2-CB 4.48Å; W69-L175 HydrophobicContact CZ2-CD2 4.13Å; L81-L175 HydrophobicContact CD2-CB 4.17Å; L81-L175 HydrophobicContact CD2-CD1 4.29Å; G171-L175 WeakPolarHBondContact O-CG 3.37Å; G171-L175 PolarHBondContact O-N 3.35Å; T172-L175 PolarHBondContact O-N 3.06Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.31Å; L175-G178 PolarHBondContact O-N 2.88Å; L175-V181 HydrophobicContact CD2-CG2 4.39Å; L175-F205 HydrophobicContact CB-CE1 4.35Å; L175-F205 HydrophobicContact CD1-CD1 4.46Å; L175-F205 HydrophobicContact CD1-CE1 3.89Å; L175-F205 HydrophobicContact CD1-CZ 4.21Å; L175-F205 HydrophobicContact CD2-CD1 4.36Å; L175-F205 HydrophobicContact CD2-CE1 4.29Å; L175-F205 HydrophobicContact CG-CE1 4.41Å; L175-V209 HydrophobicContact CD2-CG1 3.47Å; L175-V209 VanDerWaalsContact CD2-CG1 3.47Å; L175-F210 HydrophobicContact CD1-CD2 4.19Å; L175-F210 HydrophobicContact CD2-CD2 4.45Å |
| 176 | C | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -55.2 | -48.2 | 173.2 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | R77 L81 Y124 T172 G178 L473 | R77-C176 PolarHBondContact NE-O 2.8Å; R77-C176 PolarHBondContact NH2-O 2.82Å; L81-C176 HydrophobicContact CD1-CB 4.01Å; Y124-C176 PolarHBondContact O-SG 3.04Å; T172-C176 WeakPolarHBondContact O-CB 3.45Å; T172-C176 PolarHBondContact O-N 3.36Å; C176-G178 PolarHBondContact O-N 2.96Å; C176-L473 HydrophobicContact CB-CD2 4.4Å |
| 177 | A | 98.5 | Very high | 98.7 | Very high | 3 Ų | 3 | 3.7 Ų | 3.7 | 3% | 0.025 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -66.2 | -14.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I131 P150 P173 C174 L175 L477 | I131-A177 HydrophobicContact CD1-CB 4.5Å; P150-A177 WeakPolarHBondContact CB-O 3.33Å; P173-A177 WeakPolarHBondContact O-CB 3.49Å; P173-A177 PolarHBondContact O-N 3.38Å; C174-A177 PolarHBondContact O-N 2.97Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.31Å; A177-L477 HydrophobicContact CB-CD2 3.94Å; A177-L477 HydrophobicContact CB-CG 4.4Å |
| 178 | G | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 5.6 Ų | 5.6 | 4% | 0.041 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 17.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | F63 W69 P150 C174 L175 C176 | F63-G178 WeakPolarHBondContact CE2-O 3.42Å; W69-G178 PolarHBondContact NE1-O 3.49Å; P150-G178 VanDerWaalsContact CB-C 3.41Å; P150-G178 WeakPolarHBondContact CB-O 3.47Å; P150-G178 WeakPolarHBondContact CG-O 3.33Å; C174-G178 PolarHBondContact O-N 2.94Å; C174-G178 VanDerWaalsContact O-N 3.16Å; L175-G178 PolarHBondContact O-N 2.88Å; C176-G178 PolarHBondContact O-N 2.96Å |
| 179 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -74.5 | 170.3 | 172 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | W69 P150 G152 V154 C174 Y476 | W69-C179 PolarHBondContact NE1-O 2.79Å; P150-C179 HydrophobicContact CB-CB 4.42Å; P150-C179 VanDerWaalsContact CB-SG 3.52Å; G152-C179 WeakPolarHBondContact O-CB 3.08Å; V154-C179 HydrophobicContact CG2-CB 3.71Å; C174-C179 HydrophobicContact CB-CB 4.13Å; C174-C179 WeakPolarHBondContact O-CB 3.29Å; C174-C179 PolarHBondContact O-N 3.02Å; C179-Y476 PolarHBondContact SG-O 2.78Å | ||
| 180 | T | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 150.7 | 164.5 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | A59 A62 F63 G152 V154 V209 | A59-T180 WeakPolarHBondContact O-CB 3.33Å; A59-T180 WeakPolarHBondContact O-CG2 3.17Å; A59-T180 PolarHBondContact O-OG1 2.74Å; A62-T180 HydrophobicContact CB-CG2 3.99Å; F63-T180 HydrophobicContact CB-CG2 3.92Å; F63-T180 HydrophobicContact CD2-CG2 4.2Å; G152-T180 PolarHBondContact O-N 3.47Å; G152-T180 VanDerWaalsContact O-N 3.12Å; V154-T180 PolarHBondContact N-O 2.69Å; T180-V209 CarbonylContact C-O 3.59Å; T180-V209 WeakPolarHBondContact CA-O 3.42Å; T180-V209 HydrophobicContact CG2-CG2 4.42Å |
| 181 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.9 | -168.5 | 178 | 0 | 0 | 0 | 0 | 110.9 | V154 C156 C174 L175 L183 V209 F210 N211 | V154-V181 WeakPolarHBondContact O-CA 3.27Å; C156-V181 HydrophobicContact CB-CG1 4.08Å; C174-V181 HydrophobicContact CB-CG2 3.51Å; L175-V181 HydrophobicContact CD2-CG2 4.39Å; V181-L183 HydrophobicContact CG1-CB 4.28Å; V181-V209 PolarHBondContact N-O 2.85Å; V181-F210 HydrophobicContact CB-CD2 3.66Å; V181-F210 HydrophobicContact CB-CE2 4.03Å; V181-F210 HydrophobicContact CB-CG 4.44Å; V181-F210 HydrophobicContact CG1-CD2 3.84Å; V181-F210 HydrophobicContact CG1-CE2 3.69Å; V181-F210 HydrophobicContact CG1-CZ 4.45Å; V181-F210 HydrophobicContact CG2-CD2 4.17Å; V181-F210 HydrophobicContact CG2-CE2 4.46Å; V181-N211 PolarHBondContact O-N 3.37Å; V181-N211 PolarHBondContact O-ND2 2.82Å; V181-N211 VanDerWaalsContact O-ND2 3.07Å |
| 182 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 105.2 | 159.7 | -177.3 | 0 | 0 | 0 | 0 | 107 | A55 V56 A59 V153 V154 A155 C156 I213 L224 | A55-V182 HydrophobicContact CB-CG1 3.94Å; A55-V182 HydrophobicContact CB-CG2 4.31Å; V56-V182 HydrophobicContact CG2-CG2 4.15Å; A59-V182 HydrophobicContact CB-CG2 3.96Å; V153-V182 HydrophobicContact CG1-CG2 4.08Å; V154-V182 PolarHBondContact O-N 2.88Å; A155-V182 WeakPolarHBondContact CA-O 3.49Å; C156-V182 PolarHBondContact N-O 2.97Å; V182-I213 HydrophobicContact CG1-CD1 3.57Å; V182-I213 HydrophobicContact CG1-CG1 3.83Å; V182-L224 HydrophobicContact CB-CD1 4.07Å; V182-L224 HydrophobicContact CG1-CD1 3.8Å; V182-L224 HydrophobicContact CG1-CD2 4.08Å |
| 183 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.2 | 179 | 176.2 | 68.6 | 0 | 0 | 0 | 109.8 | C156 T158 V181 A193 F210 N211 V212 I213 | C156-L183 HydrophobicContact CB-CD1 3.85Å; C156-L183 CarbonylContact O-C 3.47Å; C156-L183 VanDerWaalsContact O-CA 3.29Å; C156-L183 WeakPolarHBondContact O-CA 3.05Å; C156-L183 WeakPolarHBondContact O-CD1 3.34Å; T158-L183 HydrophobicContact CG2-CD1 3.9Å; V181-L183 HydrophobicContact CG1-CB 4.28Å; L183-A193 HydrophobicContact CD2-CB 4.07Å; L183-F210 HydrophobicContact CB-CE1 4.33Å; L183-F210 HydrophobicContact CB-CZ 4.06Å; L183-F210 HydrophobicContact CD2-CE1 4.12Å; L183-F210 HydrophobicContact CD2-CZ 3.79Å; L183-N211 PolarHBondContact N-O 3.48Å; L183-V212 HydrophobicContact CB-CG2 4.32Å; L183-V212 HydrophobicContact CD2-CG1 4.38Å; L183-V212 HydrophobicContact CD2-CG2 4.18Å; L183-V212 WeakPolarHBondContact O-CA 3.46Å; L183-I213 PolarHBondContact O-N 3.21Å |
| 184 | K | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 5.2 Ų | 5.2 | 2% | 0.022 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.1 | 166.6 | -170.7 | -88.1 | 164.6 | -162.5 | 0 | 108.5 | C156 I157 T158 E187 I213 G215 T220 L224 | C156-K184 PolarHBondContact O-N 3.19Å; I157-K184 WeakPolarHBondContact CA-O 3.45Å; I157-K184 HydrophobicContact CG1-CB 4.26Å; I157-K184 HydrophobicContact CG2-CD 4.3Å; T158-K184 PolarHBondContact N-O 3.4Å; T158-K184 VanDerWaalsContact N-O 3.1Å; K184-E187 IonicContact NZ-OE2 2.65Å; K184-E187 PolarHBondContact NZ-OE2 3.28Å; K184-I213 WeakPolarHBondContact CA-O 3.47Å; K184-G215 WeakPolarHBondContact CE-O 3.06Å; K184-G215 PolarHBondContact NZ-O 3.05Å; K184-T220 HydrophobicContact CG-CG2 4.04Å; K184-L224 HydrophobicContact CB-CD2 4.2Å |
| 185 | P | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.013 | 3% | 0.029 | C | C | . | . | trans | -72.8 | 161.9 | 172.3 | 32.3 | -34.1 | 0 | 0 | 0 | 111.3 | T158 P190 A193 V212 I213 | T158-P185 WeakPolarHBondContact OG1-CA 3.05Å; P185-P190 HydrophobicContact CG-CB 4.37Å; P185-A193 HydrophobicContact CB-CB 3.73Å; P185-A193 HydrophobicContact CG-CB 3.93Å; P185-V212 HydrophobicContact CG-CG1 4.17Å; P185-I213 WeakPolarHBondContact CD-O 3.32Å | ||
| 186 | A | 98.7 | Very high | 98.8 | Very high | 5 Ų | 5 | 5.8 Ų | 5.8 | 4% | 0.041 | 3% | 0.03 | C | C | . | . | trans | -61.2 | 140.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T158 W160 Q188 T189 | T158-A186 PolarHBondContact O-N 2.97Å; T158-A186 VanDerWaalsContact O-N 3.12Å; W160-A186 HydrophobicContact CB-CB 3.68Å; W160-A186 HydrophobicContact CG-CB 4.4Å; A186-Q188 PolarHBondContact O-N 3.26Å; A186-T189 CarbonylContact O-C 3.46Å; A186-T189 PolarHBondContact O-N 2.88Å; A186-T189 VanDerWaalsContact O-N 3.11Å | ||
| 187 | E | 98.6 | Very high | 98.8 | Very high | 45 Ų | 45 | 5.8 Ų | 5.8 | 21% | 0.21 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25 | 179 | 56.7 | -79.7 | 179.4 | 0 | 0 | 112.9 | F30 K184 T189 Y216 | F30-E187 HydrophobicContact CE2-CB 4.05Å; F30-E187 VanDerWaalsContact CE2-O 3.3Å; F30-E187 WeakPolarHBondContact CE2-O 3.11Å; F30-E187 HydrophobicContact CZ-CB 4.48Å; K184-E187 IonicContact NZ-OE2 2.65Å; K184-E187 PolarHBondContact NZ-OE2 3.28Å; E187-T189 VanDerWaalsContact C-N 3.33Å; E187-Y216 HydrophobicContact CB-CD1 4.02Å; E187-Y216 HydrophobicContact CB-CE1 4.14Å; E187-Y216 HydrophobicContact CG-CD1 3.78Å; E187-Y216 HydrophobicContact CG-CE1 3.99Å |
| 188 | Q | 98.7 | Very high | 98.9 | Very high | 39 Ų | 39 | 6.1 Ų | 6.1 | 18% | 0.182 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -26.9 | 176.3 | -58.4 | 78.6 | 1.6 | 0 | 0 | 112.4 | T32 W160 A186 I336 | T32-Q188 PolarHBondContact OG1-O 3Å; W160-Q188 HydrophobicContact CB-CB 3.95Å; W160-Q188 HydrophobicContact CG-CB 4.32Å; W160-Q188 HydrophobicContact CG-CG 4.42Å; A186-Q188 PolarHBondContact O-N 3.26Å; Q188-I336 HydrophobicContact CB-CD1 4.07Å; Q188-I336 HydrophobicContact CB-CG1 3.74Å; Q188-I336 HydrophobicContact CG-CG1 4.1Å |
| 189 | T | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -142.8 | 58 | -169.4 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | D102 N103 W160 P163 A186 E187 I336 | D102-T189 VanDerWaalsContact OD2-C 3.28Å; D102-T189 VanDerWaalsContact OD2-CA 3.23Å; D102-T189 WeakPolarHBondContact OD2-CA 3.33Å; N103-T189 HydrophobicContact CB-CG2 3.95Å; W160-T189 VanDerWaalsContact CA-OG1 3.29Å; W160-T189 WeakPolarHBondContact CA-OG1 3.46Å; W160-T189 HydrophobicContact CB-CG2 3.83Å; W160-T189 WeakPolarHBondContact CB-OG1 3.39Å; P163-T189 WeakPolarHBondContact CB-OG1 3.43Å; P163-T189 VanDerWaalsContact CG-CB 3.42Å; P163-T189 HydrophobicContact CG-CG2 3.74Å; P163-T189 VanDerWaalsContact CG-OG1 3.32Å; P163-T189 WeakPolarHBondContact CG-OG1 3.48Å; A186-T189 CarbonylContact O-C 3.46Å; A186-T189 PolarHBondContact O-N 2.88Å; A186-T189 VanDerWaalsContact O-N 3.11Å; E187-T189 VanDerWaalsContact C-N 3.33Å; T189-I336 HydrophobicContact CG2-CD1 3.5Å; T189-I336 HydrophobicContact CG2-CG1 4.49Å |
| 190 | P | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | trans | -78.8 | -21.8 | -174.4 | 31.9 | -36.6 | 0 | 0 | 0 | 113.7 | F30 T32 V44 D102 P185 S192 A193 L194 C214 | F30-P190 HydrophobicContact CE2-CG 4.38Å; F30-P190 HydrophobicContact CZ-CG 4.35Å; T32-P190 HydrophobicContact CG2-CG 4.49Å; V44-P190 HydrophobicContact CB-CG 4.36Å; V44-P190 HydrophobicContact CG1-CB 4.29Å; V44-P190 HydrophobicContact CG1-CG 4.3Å; V44-P190 HydrophobicContact CG2-CG 3.8Å; D102-P190 WeakPolarHBondContact OD2-CD 3.15Å; P185-P190 HydrophobicContact CG-CB 4.37Å; P190-S192 PolarHBondContact O-N 2.92Å; P190-A193 PolarHBondContact O-N 2.82Å; P190-L194 PolarHBondContact O-N 3.25Å; P190-C214 HydrophobicContact CB-CB 4.31Å | ||
| 191 | L | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70.3 | -40.8 | -158.6 | -59.9 | -177 | 0 | 0 | 0 | 113.5 | V10 T32 I41 V44 L98 M101 D102 A193 L194 Y195 | V10-L191 HydrophobicContact CG1-CD1 4.26Å; V10-L191 HydrophobicContact CG1-CD2 3.96Å; V10-L191 HydrophobicContact CG2-CD1 3.87Å; T32-L191 HydrophobicContact CG2-CD1 4.02Å; T32-L191 HydrophobicContact CG2-CD2 4.14Å; T32-L191 HydrophobicContact CG2-CG 4.08Å; I41-L191 HydrophobicContact CG2-CD1 4Å; V44-L191 HydrophobicContact CG2-CD2 3.75Å; L98-L191 HydrophobicContact CD1-CB 3.95Å; L98-L191 HydrophobicContact CD1-CD1 3.96Å; L98-L191 HydrophobicContact CD2-CB 4.07Å; L98-L191 HydrophobicContact CG-CB 4.03Å; M101-L191 HydrophobicContact CE-CD1 4.48Å; D102-L191 HydrophobicContact CB-CD1 4.31Å; D102-L191 WeakPolarHBondContact OD1-CD1 3.46Å; D102-L191 WeakPolarHBondContact OD2-CB 3.48Å; D102-L191 VanDerWaalsContact OD2-CG 3.26Å; D102-L191 WeakPolarHBondContact OD2-CG 3.33Å; D102-L191 PolarHBondContact OD2-N 3.43Å; D102-L191 VanDerWaalsContact OD2-N 3.17Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 3.43Å; L191-L194 PolarHBondContact O-N 3.05Å; L191-Y195 PolarHBondContact O-N 2.98Å; L191-Y195 VanDerWaalsContact O-N 3.07Å |
| 192 | S | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.7 | -30.3 | -178.9 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | E99 F164 P190 Y195 L196 | E99-S192 WeakPolarHBondContact OE1-CB 3.24Å; E99-S192 PolarHBondContact OE1-OG 3.27Å; F164-S192 PolarHBondContact N-OG 3.34Å; P190-S192 PolarHBondContact O-N 2.92Å; S192-Y195 PolarHBondContact O-N 2.83Å; S192-L196 PolarHBondContact O-N 3.44Å |
| 193 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.9 | -37.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L183 P185 P190 L191 Y195 L196 A197 V212 | L183-A193 HydrophobicContact CD2-CB 4.07Å; P185-A193 HydrophobicContact CB-CB 3.73Å; P185-A193 HydrophobicContact CG-CB 3.93Å; P190-A193 PolarHBondContact O-N 2.82Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-A193 PolarHBondContact O-N 3.43Å; A193-Y195 VanDerWaalsContact C-N 3.33Å; A193-L196 WeakPolarHBondContact O-CB 3.46Å; A193-L196 PolarHBondContact O-N 3.16Å; A193-A197 PolarHBondContact O-N 3.41Å; A193-A197 VanDerWaalsContact O-N 3.12Å; A193-V212 HydrophobicContact CB-CG1 4.44Å |
| 194 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.7 | -37.6 | 172.6 | -68.3 | 178.3 | 0 | 0 | 0 | 111.7 | Y12 Q14 V44 P190 L191 A197 A198 V212 | Y12-L194 WeakPolarHBondContact O-CD1 3.35Å; Q14-L194 WeakPolarHBondContact O-CD2 3.46Å; V44-L194 HydrophobicContact CG1-CD1 4.08Å; P190-L194 PolarHBondContact O-N 3.25Å; L191-L194 PolarHBondContact O-N 3.05Å; L194-A197 VanDerWaalsContact O-CB 3.25Å; L194-A197 WeakPolarHBondContact O-CB 3.48Å; L194-A197 PolarHBondContact O-N 2.99Å; L194-A198 PolarHBondContact O-N 3.16Å; L194-V212 HydrophobicContact CD2-CB 4.23Å; L194-V212 HydrophobicContact CD2-CG1 3.89Å |
| 195 | Y | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 17.2 Ų | 17.2 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 173.4 | -166.2 | -100.6 | 0 | 0 | 0 | 112.3 | K11 Y12 N91 Y94 I95 L191 S192 A193 A197 A198 L199 | K11-Y195 HydrophobicContact CD-CE2 4.04Å; Y12-Y195 AromaticContact CD2-CD2 3.77Å; Y12-Y195 HydrophobicContact CD2-CD2 3.77Å; Y12-Y195 AromaticContact CE2-CD2 3.52Å; Y12-Y195 HydrophobicContact CE2-CD2 3.52Å; Y12-Y195 AromaticContact CE2-CE2 3.88Å; Y12-Y195 HydrophobicContact CE2-CE2 3.88Å; N91-Y195 HydrophobicContact CB-CE1 3.96Å; N91-Y195 VanDerWaalsContact CG-OH 3.32Å; N91-Y195 PolarHBondContact OD1-OH 3.32Å; Y94-Y195 HydrophobicContact CD1-CD1 4.13Å; Y94-Y195 HydrophobicContact CD1-CD2 4.09Å; Y94-Y195 AromaticContact CD1-CE1 3.68Å; Y94-Y195 HydrophobicContact CD1-CE1 3.68Å; Y94-Y195 AromaticContact CD1-CE2 3.7Å; Y94-Y195 HydrophobicContact CD1-CE2 3.7Å; Y94-Y195 HydrophobicContact CD1-CG 4.29Å; Y94-Y195 AromaticContact CD1-CZ 3.46Å; Y94-Y195 VanDerWaalsContact CD1-CZ 3.46Å; Y94-Y195 HydrophobicContact CE1-CD1 4.09Å; Y94-Y195 AromaticContact CE1-CD2 3.35Å; Y94-Y195 HydrophobicContact CE1-CD2 3.35Å; Y94-Y195 AromaticContact CE1-CE1 3.97Å; Y94-Y195 HydrophobicContact CE1-CE1 3.97Å; Y94-Y195 AromaticContact CE1-CE2 3.28Å; Y94-Y195 HydrophobicContact CE1-CE2 3.28Å; Y94-Y195 AromaticContact CE1-CG 3.78Å; Y94-Y195 HydrophobicContact CE1-CG 3.78Å; Y94-Y195 AromaticContact CE1-CZ 3.59Å; I95-Y195 HydrophobicContact CD1-CD1 4.25Å; I95-Y195 HydrophobicContact CD1-CE1 4.12Å; I95-Y195 HydrophobicContact CG1-CD1 3.66Å; I95-Y195 HydrophobicContact CG1-CE1 3.67Å; L191-Y195 PolarHBondContact O-N 2.98Å; L191-Y195 VanDerWaalsContact O-N 3.07Å; S192-Y195 PolarHBondContact O-N 2.83Å; A193-Y195 VanDerWaalsContact C-N 3.33Å; Y195-A197 PolarHBondContact O-N 2.66Å; Y195-A198 WeakPolarHBondContact O-CB 3.39Å; Y195-A198 PolarHBondContact O-N 2.92Å; Y195-A198 VanDerWaalsContact O-N 3.12Å; Y195-L199 HydrophobicContact CD1-CD1 4.18Å; Y195-L199 HydrophobicContact CD1-CG 4.24Å; Y195-L199 HydrophobicContact CE1-CD1 4.02Å; Y195-L199 HydrophobicContact CE1-CD2 3.95Å; Y195-L199 HydrophobicContact CE1-CG 4.08Å; Y195-L199 PolarHBondContact O-N 2.9Å; Y195-L199 VanDerWaalsContact O-N 3.16Å |
| 196 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.3 | -39.4 | 171.4 | 175.1 | 63.3 | 0 | 0 | 0 | 111.7 | L84 I88 F164 V168 S192 A193 A198 L199 I200 F210 | L84-L196 HydrophobicContact CD1-CD1 4.19Å; I88-L196 HydrophobicContact CD1-CD1 4.29Å; F164-L196 HydrophobicContact CE2-CB 3.96Å; F164-L196 HydrophobicContact CE2-CD1 4.36Å; F164-L196 HydrophobicContact CZ-CD1 4.41Å; V168-L196 HydrophobicContact CG2-CD1 3.89Å; V168-L196 HydrophobicContact CG2-CD2 3.78Å; V168-L196 HydrophobicContact CG2-CG 4.47Å; S192-L196 PolarHBondContact O-N 3.44Å; A193-L196 WeakPolarHBondContact O-CB 3.46Å; A193-L196 PolarHBondContact O-N 3.16Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 2.92Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-L199 VanDerWaalsContact O-N 3.16Å; L196-I200 HydrophobicContact CD1-CD1 4.4Å; L196-I200 HydrophobicContact CD1-CG1 4.41Å; L196-I200 HydrophobicContact CG-CD1 4.17Å; L196-I200 WeakPolarHBondContact O-CG1 3.45Å; L196-I200 PolarHBondContact O-N 3.22Å; L196-F210 HydrophobicContact CD2-CZ 4.23Å |
| 197 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F16 A193 L194 Y195 I200 K201 V212 | F16-A197 HydrophobicContact CB-CB 3.79Å; F16-A197 HydrophobicContact CD1-CB 3.62Å; F16-A197 HydrophobicContact CD2-CB 3.75Å; F16-A197 HydrophobicContact CE1-CB 4Å; F16-A197 HydrophobicContact CE2-CB 4.11Å; F16-A197 HydrophobicContact CG-CB 3.45Å; F16-A197 VanDerWaalsContact CG-CB 3.45Å; F16-A197 HydrophobicContact CZ-CB 4.2Å; F16-A197 WeakPolarHBondContact CZ-O 3.49Å; A193-A197 PolarHBondContact O-N 3.41Å; A193-A197 VanDerWaalsContact O-N 3.12Å; L194-A197 VanDerWaalsContact O-CB 3.25Å; L194-A197 WeakPolarHBondContact O-CB 3.48Å; L194-A197 PolarHBondContact O-N 2.99Å; Y195-A197 PolarHBondContact O-N 2.66Å; A197-I200 PolarHBondContact O-N 2.91Å; A197-K201 PolarHBondContact O-N 3.32Å; A197-V212 HydrophobicContact CB-CB 4.45Å; A197-V212 HydrophobicContact CB-CG2 3.67Å |
| 198 | A | 98.9 | Very high | 98.9 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y12 F21 L194 Y195 L196 I200 K201 E202 | Y12-A198 HydrophobicContact CD2-CB 4.08Å; Y12-A198 HydrophobicContact CE1-CB 4.24Å; Y12-A198 HydrophobicContact CE2-CB 3.39Å; F21-A198 HydrophobicContact CE2-CB 4.15Å; F21-A198 HydrophobicContact CZ-CB 4.03Å; L194-A198 PolarHBondContact O-N 3.16Å; Y195-A198 WeakPolarHBondContact O-CB 3.39Å; Y195-A198 PolarHBondContact O-N 2.92Å; Y195-A198 VanDerWaalsContact O-N 3.12Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 2.92Å; A198-I200 VanDerWaalsContact C-N 3.31Å; A198-I200 PolarHBondContact O-N 2.76Å; A198-K201 WeakPolarHBondContact O-CB 3.38Å; A198-K201 PolarHBondContact O-N 3.09Å; A198-E202 PolarHBondContact O-N 2.79Å |
| 199 | L | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65 | -34.9 | 176.4 | -57.9 | -175.5 | 0 | 0 | 0 | 112.1 | L84 L87 I88 I95 Y195 L196 E202 A203 | L84-L199 HydrophobicContact CD1-CB 3.9Å; L87-L199 HydrophobicContact CB-CB 4.49Å; L87-L199 HydrophobicContact CB-CD2 4.35Å; L87-L199 WeakPolarHBondContact CD1-O 3.47Å; I88-L199 HydrophobicContact CG1-CD1 3.98Å; I95-L199 HydrophobicContact CD1-CD1 4.15Å; Y195-L199 HydrophobicContact CD1-CD1 4.18Å; Y195-L199 HydrophobicContact CD1-CG 4.24Å; Y195-L199 HydrophobicContact CE1-CD1 4.02Å; Y195-L199 HydrophobicContact CE1-CD2 3.95Å; Y195-L199 HydrophobicContact CE1-CG 4.08Å; Y195-L199 PolarHBondContact O-N 2.9Å; Y195-L199 VanDerWaalsContact O-N 3.16Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-L199 VanDerWaalsContact O-N 3.16Å; L199-E202 PolarHBondContact O-N 3.37Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 3.47Å |
| 200 | I | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 174.5 | -74.1 | 177.7 | 0 | 0 | 0 | 111.3 | L84 L196 A197 A198 A203 G204 F205 F210 | L84-I200 HydrophobicContact CD1-CG1 3.89Å; L84-I200 HydrophobicContact CD2-CG1 3.98Å; L196-I200 HydrophobicContact CD1-CD1 4.4Å; L196-I200 HydrophobicContact CD1-CG1 4.41Å; L196-I200 HydrophobicContact CG-CD1 4.17Å; L196-I200 WeakPolarHBondContact O-CG1 3.45Å; L196-I200 PolarHBondContact O-N 3.22Å; A197-I200 PolarHBondContact O-N 2.91Å; A198-I200 VanDerWaalsContact C-N 3.31Å; A198-I200 PolarHBondContact O-N 2.76Å; I200-A203 PolarHBondContact O-N 3.2Å; I200-G204 PolarHBondContact O-N 2.95Å; I200-F205 HydrophobicContact CB-CD2 4.43Å; I200-F205 HydrophobicContact CG2-CB 3.67Å; I200-F205 HydrophobicContact CG2-CD2 3.76Å; I200-F205 HydrophobicContact CG2-CG 3.8Å; I200-F205 WeakPolarHBondContact O-CD2 3.4Å; I200-F205 PolarHBondContact O-N 3.21Å; I200-F210 HydrophobicContact CD1-CB 4Å; I200-F210 HydrophobicContact CD1-CD1 3.39Å; I200-F210 HydrophobicContact CD1-CD2 3.64Å; I200-F210 HydrophobicContact CD1-CE1 3.57Å; I200-F210 HydrophobicContact CD1-CE2 3.83Å; I200-F210 HydrophobicContact CD1-CG 3.4Å; I200-F210 HydrophobicContact CD1-CZ 3.79Å; I200-F210 HydrophobicContact CG2-CB 3.87Å; I200-F210 HydrophobicContact CG2-CG 4.41Å |
| 201 | K | 98.9 | Very high | 98.9 | Very high | 83 Ų | 83 | 18 Ų | 18 | 36% | 0.361 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 171.8 | -176.2 | 178.5 | -171.6 | 157.3 | 0 | 110.8 | F16 N19 E20 A197 A198 A203 G204 | F16-K201 HydrophobicContact CE2-CB 4.27Å; F16-K201 HydrophobicContact CZ-CB 4.04Å; N19-K201 HydrophobicContact CB-CD 4.37Å; N19-K201 HydrophobicContact CB-CG 4.2Å; N19-K201 VanDerWaalsContact O-CD 3.26Å; N19-K201 WeakPolarHBondContact O-CD 3.39Å; N19-K201 VanDerWaalsContact O-CE 3.22Å; N19-K201 WeakPolarHBondContact O-CE 3.44Å; N19-K201 PolarHBondContact O-NZ 2.9Å; E20-K201 IonicContact OE1-NZ 2.78Å; E20-K201 PolarHBondContact OE1-NZ 2.92Å; E20-K201 IonicContact OE2-NZ 3.57Å; E20-K201 PolarHBondContact OE2-NZ 2.93Å; A197-K201 PolarHBondContact O-N 3.32Å; A198-K201 WeakPolarHBondContact O-CB 3.38Å; A198-K201 PolarHBondContact O-N 3.09Å; K201-A203 PolarHBondContact O-N 3.31Å; K201-G204 PolarHBondContact O-N 3.45Å; K201-G204 VanDerWaalsContact O-N 3.08Å |
| 202 | E | 98.8 | Very high | 98.9 | Very high | 108 Ų | 108 | 17.9 Ų | 17.9 | 51% | 0.505 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -65.9 | -35.2 | -178.4 | -174 | 178.3 | 168.2 | 0 | 0 | 113.1 | K83 L87 A198 L199 G204 | K83-E202 WeakPolarHBondContact CE-O 3.37Å; K83-E202 PolarHBondContact NZ-O 3.06Å; L87-E202 HydrophobicContact CD1-CB 3.92Å; L87-E202 HydrophobicContact CD1-CG 3.87Å; L87-E202 HydrophobicContact CD2-CG 4.25Å; L87-E202 WeakPolarHBondContact CD2-OE1 3.44Å; A198-E202 PolarHBondContact O-N 2.79Å; L199-E202 PolarHBondContact O-N 3.37Å; E202-G204 PolarHBondContact O-N 3.3Å |
| 203 | A | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -29.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L80 K83 L84 L87 L199 I200 K201 F205 | L80-A203 WeakPolarHBondContact CD2-O 3.41Å; K83-A203 WeakPolarHBondContact CD-O 3.35Å; K83-A203 WeakPolarHBondContact CE-O 3.3Å; K83-A203 HydrophobicContact CG-CB 4.42Å; K83-A203 PolarHBondContact NZ-O 3.31Å; L84-A203 HydrophobicContact CB-CB 4.18Å; L87-A203 HydrophobicContact CD1-CB 3.97Å; L199-A203 WeakPolarHBondContact O-CB 3.4Å; L199-A203 PolarHBondContact O-N 3.47Å; I200-A203 PolarHBondContact O-N 3.2Å; K201-A203 PolarHBondContact O-N 3.31Å; A203-F205 HydrophobicContact CB-CD2 3.82Å; A203-F205 HydrophobicContact CB-CE2 3.81Å |
| 204 | G | 98.8 | Very high | 98.9 | Very high | 44 Ų | 44 | 17.8 Ų | 17.8 | 45% | 0.454 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 21.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I200 K201 E202 | I200-G204 PolarHBondContact O-N 2.95Å; K201-G204 PolarHBondContact O-N 3.45Å; K201-G204 VanDerWaalsContact O-N 3.08Å; E202-G204 PolarHBondContact O-N 3.3Å |
| 205 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 138.1 | 172.3 | -74.7 | -98.1 | 0 | 0 | 0 | 110.2 | N19 W69 L80 L81 L84 L175 I200 A203 V209 | N19-F205 PolarHBondContact ND2-O 3.44Å; W69-F205 AromaticContact CH2-CD1 3.78Å; W69-F205 HydrophobicContact CH2-CD1 3.78Å; W69-F205 AromaticContact CH2-CE1 3.74Å; W69-F205 HydrophobicContact CH2-CE1 3.74Å; W69-F205 AromaticContact CZ3-CD1 3.92Å; W69-F205 HydrophobicContact CZ3-CD1 3.92Å; W69-F205 HydrophobicContact CZ3-CE1 4.22Å; L80-F205 HydrophobicContact CB-CD2 4.38Å; L80-F205 HydrophobicContact CB-CE1 4.02Å; L80-F205 HydrophobicContact CB-CE2 3.82Å; L80-F205 HydrophobicContact CB-CZ 3.61Å; L80-F205 HydrophobicContact CD1-CD1 4.26Å; L80-F205 HydrophobicContact CD1-CE1 4.38Å; L80-F205 HydrophobicContact CD1-CG 4.48Å; L81-F205 HydrophobicContact CD2-CZ 3.94Å; L81-F205 HydrophobicContact CG-CZ 4.23Å; L84-F205 HydrophobicContact CB-CE2 4.23Å; L84-F205 HydrophobicContact CD2-CE2 4.36Å; L175-F205 HydrophobicContact CB-CE1 4.35Å; L175-F205 HydrophobicContact CD1-CD1 4.46Å; L175-F205 HydrophobicContact CD1-CE1 3.89Å; L175-F205 HydrophobicContact CD1-CZ 4.21Å; L175-F205 HydrophobicContact CD2-CD1 4.36Å; L175-F205 HydrophobicContact CD2-CE1 4.29Å; L175-F205 HydrophobicContact CG-CE1 4.41Å; I200-F205 HydrophobicContact CB-CD2 4.43Å; I200-F205 HydrophobicContact CG2-CB 3.67Å; I200-F205 HydrophobicContact CG2-CD2 3.76Å; I200-F205 HydrophobicContact CG2-CG 3.8Å; I200-F205 WeakPolarHBondContact O-CD2 3.4Å; I200-F205 PolarHBondContact O-N 3.21Å; A203-F205 HydrophobicContact CB-CD2 3.82Å; A203-F205 HydrophobicContact CB-CE2 3.81Å; F205-V209 HydrophobicContact CD1-CG1 4.11Å |
| 206 | P | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 148.4 | 178.9 | -24.5 | 32.5 | 0 | 0 | 0 | 112.8 | T68 W69 M72 G208 V209 | T68-P206 HydrophobicContact CG2-CG 4.11Å; W69-P206 HydrophobicContact CB-CG 4.5Å; W69-P206 HydrophobicContact CE3-CG 4.01Å; M72-P206 HydrophobicContact CE-CG 4.11Å; P206-G208 PolarHBondContact O-N 2.92Å; P206-V209 HydrophobicContact CB-CG2 3.84Å; P206-V209 HydrophobicContact CG-CG2 4.17Å; P206-V209 VanDerWaalsContact O-CB 3.31Å; P206-V209 WeakPolarHBondContact O-CB 3.39Å; P206-V209 WeakPolarHBondContact O-CG2 3.35Å; P206-V209 PolarHBondContact O-N 3.23Å; P206-V209 VanDerWaalsContact O-N 3.15Å |
| 207 | P | 98.9 | Very high | 98.8 | Very high | 85 Ų | 85 | 22.4 Ų | 22.4 | 55% | 0.552 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 133.7 | 176.2 | -29.3 | 36.6 | 0 | 0 | 0 | 112.8 | N19 A62 V209 | N19-P207 HydrophobicContact CB-CB 4.46Å; N19-P207 HydrophobicContact CB-CG 4.48Å; A62-P207 WeakPolarHBondContact CB-O 3.42Å; P207-V209 PolarHBondContact O-N 3.31Å |
| 208 | G | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -9.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A59 P206 F210 N211 | A59-G208 VanDerWaalsContact CA-O 3.26Å; A59-G208 WeakPolarHBondContact CA-O 3.47Å; P206-G208 PolarHBondContact O-N 2.92Å; G208-F210 PolarHBondContact O-N 3.09Å; G208-N211 PolarHBondContact O-ND2 3.48Å |
| 209 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -63.2 | -35.2 | 176.7 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | A62 W69 L175 T180 V181 F205 P206 P207 | A62-V209 HydrophobicContact CB-CG2 4.07Å; W69-V209 HydrophobicContact CB-CG2 3.72Å; W69-V209 HydrophobicContact CD2-CB 4.36Å; W69-V209 HydrophobicContact CD2-CG1 3.8Å; W69-V209 HydrophobicContact CD2-CG2 3.57Å; W69-V209 VanDerWaalsContact CE2-CG1 3.49Å; W69-V209 HydrophobicContact CE3-CG1 4.19Å; W69-V209 HydrophobicContact CE3-CG2 3.98Å; W69-V209 HydrophobicContact CG-CG1 4.32Å; W69-V209 HydrophobicContact CG-CG2 3.45Å; W69-V209 VanDerWaalsContact CG-CG2 3.45Å; W69-V209 HydrophobicContact CH2-CG1 4.08Å; W69-V209 HydrophobicContact CZ2-CG1 3.66Å; W69-V209 HydrophobicContact CZ3-CG1 4.31Å; L175-V209 HydrophobicContact CD2-CG1 3.47Å; L175-V209 VanDerWaalsContact CD2-CG1 3.47Å; T180-V209 CarbonylContact C-O 3.59Å; T180-V209 WeakPolarHBondContact CA-O 3.42Å; T180-V209 HydrophobicContact CG2-CG2 4.42Å; V181-V209 PolarHBondContact N-O 2.85Å; F205-V209 HydrophobicContact CD1-CG1 4.11Å; P206-V209 HydrophobicContact CB-CG2 3.84Å; P206-V209 HydrophobicContact CG-CG2 4.17Å; P206-V209 VanDerWaalsContact O-CB 3.31Å; P206-V209 WeakPolarHBondContact O-CB 3.39Å; P206-V209 WeakPolarHBondContact O-CG2 3.35Å; P206-V209 PolarHBondContact O-N 3.23Å; P206-V209 VanDerWaalsContact O-N 3.15Å; P207-V209 PolarHBondContact O-N 3.31Å |
| 210 | F | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.8 | 173.9 | -164 | -90.8 | 0 | 0 | 0 | 109 | F16 L175 V181 L183 L196 I200 G208 V212 | F16-F210 WeakPolarHBondContact CE1-O 3.3Å; L175-F210 HydrophobicContact CD1-CD2 4.19Å; L175-F210 HydrophobicContact CD2-CD2 4.45Å; V181-F210 HydrophobicContact CB-CD2 3.66Å; V181-F210 HydrophobicContact CB-CE2 4.03Å; V181-F210 HydrophobicContact CB-CG 4.44Å; V181-F210 HydrophobicContact CG1-CD2 3.84Å; V181-F210 HydrophobicContact CG1-CE2 3.69Å; V181-F210 HydrophobicContact CG1-CZ 4.45Å; V181-F210 HydrophobicContact CG2-CD2 4.17Å; V181-F210 HydrophobicContact CG2-CE2 4.46Å; L183-F210 HydrophobicContact CB-CE1 4.33Å; L183-F210 HydrophobicContact CB-CZ 4.06Å; L183-F210 HydrophobicContact CD2-CE1 4.12Å; L183-F210 HydrophobicContact CD2-CZ 3.79Å; L196-F210 HydrophobicContact CD2-CZ 4.23Å; I200-F210 HydrophobicContact CD1-CB 4Å; I200-F210 HydrophobicContact CD1-CD1 3.39Å; I200-F210 HydrophobicContact CD1-CD2 3.64Å; I200-F210 HydrophobicContact CD1-CE1 3.57Å; I200-F210 HydrophobicContact CD1-CE2 3.83Å; I200-F210 HydrophobicContact CD1-CG 3.4Å; I200-F210 HydrophobicContact CD1-CZ 3.79Å; I200-F210 HydrophobicContact CG2-CB 3.87Å; I200-F210 HydrophobicContact CG2-CG 4.41Å; G208-F210 PolarHBondContact O-N 3.09Å; F210-V212 HydrophobicContact CD1-CG2 3.92Å; F210-V212 HydrophobicContact CE1-CG2 3.45Å; F210-V212 VanDerWaalsContact CE1-CG2 3.45Å |
| 211 | N | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145 | 178.9 | -48.8 | -89.7 | 0 | 0 | 0 | 107.9 | F16 G18 A55 V181 L183 G208 | F16-N211 CarbonylContact O-C 3.55Å; F16-N211 WeakPolarHBondContact O-CA 3.47Å; F16-N211 WeakPolarHBondContact O-CB 3.5Å; G18-N211 PolarHBondContact N-OD1 2.88Å; G18-N211 VanDerWaalsContact N-OD1 3.16Å; A55-N211 HydrophobicContact CB-CB 4.18Å; V181-N211 PolarHBondContact O-N 3.37Å; V181-N211 PolarHBondContact O-ND2 2.82Å; V181-N211 VanDerWaalsContact O-ND2 3.07Å; L183-N211 PolarHBondContact N-O 3.48Å; G208-N211 PolarHBondContact O-ND2 3.48Å |
| 212 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.8 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | F16 L183 P185 A193 L194 A197 F210 | F16-V212 HydrophobicContact CB-CB 4.08Å; F16-V212 HydrophobicContact CB-CG2 4.44Å; F16-V212 PolarHBondContact N-O 3.34Å; F16-V212 PolarHBondContact O-N 3.12Å; L183-V212 HydrophobicContact CB-CG2 4.32Å; L183-V212 HydrophobicContact CD2-CG1 4.38Å; L183-V212 HydrophobicContact CD2-CG2 4.18Å; L183-V212 WeakPolarHBondContact O-CA 3.46Å; P185-V212 HydrophobicContact CG-CG1 4.17Å; A193-V212 HydrophobicContact CB-CG1 4.44Å; L194-V212 HydrophobicContact CD2-CB 4.23Å; L194-V212 HydrophobicContact CD2-CG1 3.89Å; A197-V212 HydrophobicContact CB-CB 4.45Å; A197-V212 HydrophobicContact CB-CG2 3.67Å; F210-V212 HydrophobicContact CD1-CG2 3.92Å; F210-V212 HydrophobicContact CE1-CG2 3.45Å; F210-V212 VanDerWaalsContact CE1-CG2 3.45Å |
| 213 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -124 | 118.8 | 176.7 | 52.4 | 175.1 | 0 | 0 | 0 | 109.7 | I17 A47 V52 A55 V182 L183 K184 P185 T220 | I17-I213 HydrophobicContact CD1-CG2 4.25Å; I17-I213 HydrophobicContact CG1-CG2 4.37Å; A47-I213 HydrophobicContact CB-CB 3.96Å; V52-I213 HydrophobicContact CB-CD1 4.26Å; V52-I213 HydrophobicContact CG2-CD1 3.58Å; A55-I213 HydrophobicContact CB-CD1 4.44Å; A55-I213 HydrophobicContact CB-CG2 3.75Å; V182-I213 HydrophobicContact CG1-CD1 3.57Å; V182-I213 HydrophobicContact CG1-CG1 3.83Å; L183-I213 PolarHBondContact O-N 3.21Å; K184-I213 WeakPolarHBondContact CA-O 3.47Å; P185-I213 WeakPolarHBondContact CD-O 3.32Å; I213-T220 HydrophobicContact CB-CG2 4.38Å; I213-T220 HydrophobicContact CD1-CG2 3.78Å; I213-T220 HydrophobicContact CG1-CG2 4.04Å | ||
| 214 | C | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -95.2 | 142.1 | -178.9 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | L15 F30 V44 A47 P190 | L15-C214 HydrophobicContact CD2-CB 4.36Å; F30-C214 HydrophobicContact CE1-CB 4.1Å; F30-C214 HydrophobicContact CZ-CB 4.09Å; V44-C214 HydrophobicContact CG1-CB 3.68Å; A47-C214 WeakPolarHBondContact CB-O 3.26Å; A47-C214 PolarHBondContact N-O 3.42Å; P190-C214 HydrophobicContact CB-CB 4.31Å | ||
| 215 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | 163.9 | -167.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K184 T220 | K184-G215 WeakPolarHBondContact CE-O 3.06Å; K184-G215 PolarHBondContact NZ-O 3.05Å; G215-T220 VanDerWaalsContact CA-OG1 3.29Å; G215-T220 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 216 | Y | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | trans | -84.6 | 163.1 | -174.9 | -65.6 | -78 | 0 | 0 | 0 | 112.9 | F30 E46 E187 T220 G221 | F30-Y216 HydrophobicContact CB-CE2 3.99Å; F30-Y216 WeakPolarHBondContact CB-OH 3.34Å; F30-Y216 HydrophobicContact CG-CE2 4.33Å; E46-Y216 HydrophobicContact CG-CD2 4.33Å; E46-Y216 HydrophobicContact CG-CE2 4.4Å; E187-Y216 HydrophobicContact CB-CD1 4.02Å; E187-Y216 HydrophobicContact CB-CE1 4.14Å; E187-Y216 HydrophobicContact CG-CD1 3.78Å; E187-Y216 HydrophobicContact CG-CE1 3.99Å; Y216-T220 PolarHBondContact N-OG1 3.42Å; Y216-T220 WeakPolarHBondContact O-CB 3.19Å; Y216-T220 PolarHBondContact O-N 3.08Å; Y216-T220 PolarHBondContact O-OG1 3.45Å; Y216-G221 PolarHBondContact O-N 2.71Å | ||
| 217 | G | 97.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 29.3 Ų | 29.3 | 31% | 0.309 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -64.8 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T219 G221 E222 | G217-T219 VanDerWaalsContact C-N 3.27Å; G217-T219 PolarHBondContact O-N 3.49Å; G217-G221 CarbonylContact O-C 3.49Å; G217-G221 WeakPolarHBondContact O-CA 3.4Å; G217-G221 PolarHBondContact O-N 3.39Å; G217-E222 PolarHBondContact O-N 3.24Å |
| 218 | E | 96.1 | Very high | 98.4 | Very high | 140 Ų | 140 | 29.5 Ų | 29.5 | 65% | 0.654 | 16% | 0.158 | S | C | * | . | I | π-helix | trans | -74 | -15.7 | -174.7 | -58.3 | 80.7 | -179.8 | 0 | 0 | 113.3 | ||
| 219 | T | 97.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 32 Ų | 32 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -108.1 | -72.1 | 177.6 | 56 | 0 | 0 | 0 | 0 | 110.2 | G217 A223 | G217-T219 VanDerWaalsContact C-N 3.27Å; G217-T219 PolarHBondContact O-N 3.49Å; T219-A223 WeakPolarHBondContact O-CB 3.44Å; T219-A223 PolarHBondContact O-N 2.99Å; T219-A223 VanDerWaalsContact O-N 3.09Å |
| 220 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -69.3 | -45.4 | -175.8 | -36.5 | 0 | 0 | 0 | 0 | 111.8 | A47 V52 K184 I213 G215 Y216 L224 | A47-T220 HydrophobicContact CB-CG2 3.77Å; A47-T220 PolarHBondContact O-OG1 2.88Å; V52-T220 HydrophobicContact CG2-CG2 3.8Å; K184-T220 HydrophobicContact CG-CG2 4.04Å; I213-T220 HydrophobicContact CB-CG2 4.38Å; I213-T220 HydrophobicContact CD1-CG2 3.78Å; I213-T220 HydrophobicContact CG1-CG2 4.04Å; G215-T220 VanDerWaalsContact CA-OG1 3.29Å; G215-T220 WeakPolarHBondContact CA-OG1 3.43Å; Y216-T220 PolarHBondContact N-OG1 3.42Å; Y216-T220 WeakPolarHBondContact O-CB 3.19Å; Y216-T220 PolarHBondContact O-N 3.08Å; Y216-T220 PolarHBondContact O-OG1 3.45Å; T220-L224 VanDerWaalsContact O-CB 3.27Å; T220-L224 WeakPolarHBondContact O-CB 3.18Å; T220-L224 PolarHBondContact O-N 2.96Å |
| 221 | G | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -66.8 | -45 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y216 G217 L224 T225 | Y216-G221 PolarHBondContact O-N 2.71Å; G217-G221 CarbonylContact O-C 3.49Å; G217-G221 WeakPolarHBondContact O-CA 3.4Å; G217-G221 PolarHBondContact O-N 3.39Å; G221-L224 PolarHBondContact O-N 3.19Å; G221-T225 WeakPolarHBondContact O-CB 3.42Å; G221-T225 VanDerWaalsContact O-CG2 3.24Å; G221-T225 WeakPolarHBondContact O-CG2 3.32Å; G221-T225 PolarHBondContact O-N 2.77Å; G221-T225 PolarHBondContact O-OG1 3.23Å |
| 222 | E | 97.8 | Very high | 98.3 | Very high | 105 Ų | 105 | 36.9 Ų | 36.9 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.8 | -50.4 | 176.5 | -172.1 | 171.2 | 176.7 | 0 | 0 | 111.2 | G217 L224 T225 H226 | G217-E222 PolarHBondContact O-N 3.24Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 2.87Å; E222-T225 PolarHBondContact O-N 3.19Å; E222-T225 PolarHBondContact O-OG1 2.87Å; E222-H226 PolarHBondContact O-N 3.21Å; E222-H226 PolarHBondContact O-ND1 3.06Å; E222-H226 IonicContact OE1-CE1 2.85Å |
| 223 | A | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.2 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q49 V52 T219 H226 H227 | Q49-A223 HydrophobicContact CB-CB 4.3Å; Q49-A223 VanDerWaalsContact CD-CB 3.49Å; V52-A223 HydrophobicContact CB-CB 4.26Å; V52-A223 HydrophobicContact CG1-CB 4.26Å; V52-A223 HydrophobicContact CG2-CB 3.9Å; T219-A223 WeakPolarHBondContact O-CB 3.44Å; T219-A223 PolarHBondContact O-N 2.99Å; T219-A223 VanDerWaalsContact O-N 3.09Å; A223-H226 PolarHBondContact O-N 3.45Å; A223-H227 PolarHBondContact O-N 3.06Å; A223-H227 VanDerWaalsContact O-N 3.09Å |
| 224 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -40.8 | -178.6 | -176.7 | 62 | 0 | 0 | 0 | 112.2 | V52 V56 A155 I157 V182 K184 T220 G221 E222 H226 H227 V230 | V52-L224 HydrophobicContact CG1-CB 4.1Å; V52-L224 HydrophobicContact CG1-CD1 4.04Å; V52-L224 HydrophobicContact CG2-CB 4.46Å; V56-L224 HydrophobicContact CG2-CD1 3.91Å; A155-L224 HydrophobicContact CB-CD1 4.05Å; A155-L224 HydrophobicContact CB-CD2 3.7Å; A155-L224 HydrophobicContact CB-CG 3.59Å; I157-L224 HydrophobicContact CG1-CD2 4.31Å; V182-L224 HydrophobicContact CB-CD1 4.07Å; V182-L224 HydrophobicContact CG1-CD1 3.8Å; V182-L224 HydrophobicContact CG1-CD2 4.08Å; K184-L224 HydrophobicContact CB-CD2 4.2Å; T220-L224 VanDerWaalsContact O-CB 3.27Å; T220-L224 WeakPolarHBondContact O-CB 3.18Å; T220-L224 PolarHBondContact O-N 2.96Å; G221-L224 PolarHBondContact O-N 3.19Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 2.87Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 3.11Å; L224-H227 PolarHBondContact O-N 3.1Å; L224-V230 HydrophobicContact CD1-CG2 3.98Å |
| 225 | T | 98.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.6 | -23.4 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | I157 G221 E222 I233 I245 K254 | I157-T225 HydrophobicContact CD1-CG2 3.42Å; I157-T225 VanDerWaalsContact CD1-CG2 3.42Å; G221-T225 WeakPolarHBondContact O-CB 3.42Å; G221-T225 VanDerWaalsContact O-CG2 3.24Å; G221-T225 WeakPolarHBondContact O-CG2 3.32Å; G221-T225 PolarHBondContact O-N 2.77Å; G221-T225 PolarHBondContact O-OG1 3.23Å; E222-T225 PolarHBondContact O-N 3.19Å; E222-T225 PolarHBondContact O-OG1 2.87Å; T225-I233 HydrophobicContact CG2-CD1 3.98Å; T225-I233 HydrophobicContact CG2-CG2 4.28Å; T225-I245 HydrophobicContact CG2-CD1 4.3Å; T225-I245 HydrophobicContact CG2-CG1 3.91Å; T225-I245 HydrophobicContact CG2-CG2 4.32Å; T225-K254 WeakPolarHBondContact O-CE 3.25Å; T225-K254 PolarHBondContact O-NZ 2.83Å |
| 226 | H | 98.3 | Very high | 98.3 | Very high | 79 Ų | 79 | 38 Ų | 38 | 37% | 0.366 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -91.3 | -12.9 | 174.6 | -69.5 | 80.6 | 0 | 0 | 0 | 113.4 | E222 A223 L224 A248 | E222-H226 PolarHBondContact O-N 3.21Å; E222-H226 PolarHBondContact O-ND1 3.06Å; E222-H226 IonicContact OE1-CE1 2.85Å; A223-H226 PolarHBondContact O-N 3.45Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 3.11Å; H226-A248 WeakPolarHBondContact CE1-CB 3.44Å |
| 227 | H | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | trans | -59.8 | 130.4 | -172.1 | -162 | -76.1 | 0 | 0 | 0 | 112.7 | N53 V56 A223 L224 D229 V230 K254 | N53-H227 PolarHBondContact OD1-CD2 2.96Å; N53-H227 PolarHBondContact OD1-NE2 3.11Å; V56-H227 VanDerWaalsContact CG1-CE1 3.42Å; V56-H227 WeakPolarHBondContact CG1-CE1 3.44Å; A223-H227 PolarHBondContact O-N 3.06Å; A223-H227 VanDerWaalsContact O-N 3.09Å; L224-H227 PolarHBondContact O-N 3.1Å; H227-D229 VanDerWaalsContact C-N 3.31Å; H227-D229 IonicContact CE1-OD2 3.99Å; H227-D229 PolarHBondContact ND1-N 2.98Å; H227-D229 PolarHBondContact O-N 2.88Å; H227-V230 HydrophobicContact CB-CG2 3.92Å; H227-V230 PolarHBondContact O-N 3.48Å; H227-K254 PolarHBondContact O-NZ 3.19Å | ||
| 228 | P | 98.2 | Very high | 98.3 | Very high | 89 Ų | 89 | 36 Ų | 36 | 58% | 0.578 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22 | -172.1 | 26.6 | -36.2 | 0 | 0 | 0 | 114.5 | N252 | P228-N252 PolarHBondContact O-ND2 3.02Š|
| 229 | D | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 30 Ų | 30 | 29% | 0.289 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.4 | 178 | -73.1 | -54.9 | 0 | 0 | 0 | 114.6 | V56 K60 H227 | V56-D229 HydrophobicContact CG1-CB 3.75Å; K60-D229 HydrophobicContact CD-CB 4.24Å; K60-D229 WeakPolarHBondContact CE-OD1 3.44Å; K60-D229 IonicContact NZ-OD1 3.37Å; K60-D229 PolarHBondContact NZ-OD1 2.88Å; K60-D229 IonicContact NZ-OD2 2.65Å; K60-D229 PolarHBondContact NZ-OD2 2.92Å; H227-D229 VanDerWaalsContact C-N 3.31Å; H227-D229 IonicContact CE1-OD2 3.99Å; H227-D229 PolarHBondContact ND1-N 2.98Å; H227-D229 PolarHBondContact O-N 2.88Å |
| 230 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.3 | 170.9 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | V56 V153 A155 L224 H227 A232 I233 N252 K254 | V56-V230 HydrophobicContact CG2-CG2 4.03Å; V153-V230 HydrophobicContact CG1-CG2 4.33Å; A155-V230 HydrophobicContact CB-CG1 3.74Å; L224-V230 HydrophobicContact CD1-CG2 3.98Å; H227-V230 HydrophobicContact CB-CG2 3.92Å; H227-V230 PolarHBondContact O-N 3.48Å; V230-A232 WeakPolarHBondContact CG1-O 3.02Å; V230-I233 HydrophobicContact CG1-CG1 4.26Å; V230-N252 PolarHBondContact O-ND2 3.42Å; V230-K254 HydrophobicContact CB-CD 4.09Å; V230-K254 HydrophobicContact CG1-CD 3.86Å; V230-K254 WeakPolarHBondContact O-CD 3.42Å |
| 231 | R | 98.3 | Very high | 98.4 | Very high | 102 Ų | 102 | 37 Ų | 37 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -23.6 | -175.1 | -64.5 | -55.8 | -55.9 | 166.2 | 6.4 | 113.6 | V151 V153 K254 H255 | V151-R231 VanDerWaalsContact O-CB 3.25Å; V151-R231 WeakPolarHBondContact O-CB 3.12Å; V151-R231 WeakPolarHBondContact O-CG 3.46Å; V153-R231 PolarHBondContact O-N 2.91Å; R231-K254 WeakPolarHBondContact O-CA 3.37Å; R231-H255 PolarHBondContact O-N 3.47Å |
| 232 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | V151 V153 V154 A155 V230 H255 | V151-A232 HydrophobicContact CG2-CB 3.85Å; V153-A232 PolarHBondContact O-N 3.44Å; V154-A232 WeakPolarHBondContact CA-O 3.24Å; V154-A232 HydrophobicContact CG1-CB 4.14Å; V154-A232 HydrophobicContact CG2-CB 4.16Å; A155-A232 PolarHBondContact N-O 2.72Å; V230-A232 WeakPolarHBondContact CG1-O 3.02Å; A232-H255 CarbonylContact C-O 3.55Å; A232-H255 WeakPolarHBondContact CA-O 3.48Å; A232-H255 HydrophobicContact CB-CB 3.78Å |
| 233 | I | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.7 | 172.4 | -53.7 | 170.7 | 0 | 0 | 0 | 107.7 | A155 I157 T225 V230 F235 I245 A249 K254 H255 V256 K257 | A155-I233 HydrophobicContact CB-CG1 4.35Å; A155-I233 HydrophobicContact CB-CG2 4.49Å; A155-I233 CarbonylContact O-C 3.57Å; A155-I233 WeakPolarHBondContact O-CA 3.49Å; I157-I233 HydrophobicContact CD1-CG2 4.44Å; T225-I233 HydrophobicContact CG2-CD1 3.98Å; T225-I233 HydrophobicContact CG2-CG2 4.28Å; V230-I233 HydrophobicContact CG1-CG1 4.26Å; I233-F235 HydrophobicContact CG2-CB 4.46Å; I233-I245 HydrophobicContact CB-CG2 4.41Å; I233-I245 HydrophobicContact CD1-CG2 4.11Å; I233-I245 HydrophobicContact CG2-CG2 3.76Å; I233-A249 HydrophobicContact CD1-CB 4.24Å; I233-K254 HydrophobicContact CD1-CD 3.82Å; I233-K254 HydrophobicContact CG1-CD 3.9Å; I233-H255 PolarHBondContact N-O 3.2Å; I233-V256 CarbonylContact O-C 3.6Å; I233-V256 WeakPolarHBondContact O-CA 3.2Å; I233-K257 PolarHBondContact O-N 2.93Å |
| 234 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.6 | 166.2 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | A155 C156 I157 K170 Y476 | A155-S234 PolarHBondContact O-N 2.9Å; C156-S234 WeakPolarHBondContact CA-O 3.48Å; I157-S234 PolarHBondContact N-O 2.82Å; K170-S234 WeakPolarHBondContact CD-O 3.33Å; K170-S234 PolarHBondContact NZ-OG 2.86Å; S234-Y476 WeakPolarHBondContact CB-OH 3.35Å; S234-Y476 PolarHBondContact OG-OH 2.82Å; S234-Y476 VanDerWaalsContact OG-OH 3.14Å |
| 235 | F | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.8 | -178.5 | 171.5 | -103.1 | 0 | 0 | 0 | 110.6 | I157 K170 I233 V241 I245 K257 L258 E259 L260 | I157-F235 HydrophobicContact CB-CD2 3.89Å; I157-F235 HydrophobicContact CG2-CD2 3.68Å; I157-F235 HydrophobicContact CG2-CE2 4.01Å; K170-F235 VanDerWaalsContact NZ-C 3.35Å; I233-F235 HydrophobicContact CG2-CB 4.46Å; F235-V241 HydrophobicContact CE1-CB 4.29Å; F235-V241 HydrophobicContact CE1-CG1 4.19Å; F235-V241 HydrophobicContact CE2-CG1 3.73Å; F235-V241 HydrophobicContact CZ-CB 3.73Å; F235-V241 HydrophobicContact CZ-CG1 3.42Å; F235-V241 VanDerWaalsContact CZ-CG1 3.42Å; F235-I245 HydrophobicContact CB-CD1 3.68Å; F235-I245 HydrophobicContact CB-CG2 4.46Å; F235-I245 HydrophobicContact CD1-CD1 3.8Å; F235-I245 HydrophobicContact CD2-CD1 3.11Å; F235-I245 HydrophobicContact CE1-CD1 4.18Å; F235-I245 HydrophobicContact CE2-CD1 3.57Å; F235-I245 HydrophobicContact CG-CD1 3.23Å; F235-I245 HydrophobicContact CZ-CD1 4.07Å; F235-K257 PolarHBondContact N-O 3.4Å; F235-L258 HydrophobicContact CB-CD2 4.01Å; F235-L258 HydrophobicContact CD1-CD2 4.1Å; F235-E259 PolarHBondContact O-N 3.3Å; F235-L260 HydrophobicContact CD1-CD2 3.74Å; F235-L260 HydrophobicContact CE1-CD2 3.64Å |
| 236 | T | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.8 | 163.1 | -57.9 | 0 | 0 | 0 | 0 | 108.7 | I157 P159 L166 K170 E259 | I157-T236 PolarHBondContact O-N 3.08Å; P159-T236 WeakPolarHBondContact CD-O 3.44Å; P159-T236 HydrophobicContact CG-CG2 3.79Å; L166-T236 HydrophobicContact CD1-CG2 4.42Å; K170-T236 WeakPolarHBondContact CE-OG1 3.26Å; K170-T236 PolarHBondContact NZ-OG1 3.13Å; T236-E259 WeakPolarHBondContact CA-O 3.48Å; T236-E259 HydrophobicContact CG2-CB 3.95Å; T236-E259 WeakPolarHBondContact CG2-O 3.07Å; T236-E259 WeakPolarHBondContact OG1-CB 3.16Å |
| 237 | G | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 162.9 | -151 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E259 L260 G261 | G237-E259 PolarHBondContact N-O 3.36Å; G237-L260 VanDerWaalsContact O-CA 3.3Å; G237-L260 WeakPolarHBondContact O-CA 3.46Å; G237-G261 PolarHBondContact O-N 3.17Å |
| 238 | S | 98 | Very high | 98.3 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | trans | -70.9 | 149.9 | -177.2 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | E240 V241 G242 | S238-E240 VanDerWaalsContact C-N 3.26Å; S238-E240 PolarHBondContact O-N 3.08Å; S238-V241 PolarHBondContact O-N 2.86Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 VanDerWaalsContact OG-CG2 3.29Å; S238-V241 WeakPolarHBondContact OG-CG2 3.37Å; S238-V241 PolarHBondContact OG-N 2.8Å; S238-G242 PolarHBondContact O-N 3.04Å | ||
| 239 | T | 98.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | 176.7 | -58 | 0 | 0 | 0 | 0 | 112.6 | G242 Q243 L260 Y416 M461 | T239-G242 PolarHBondContact O-N 3.22Å; T239-Q243 WeakPolarHBondContact O-CG 3.39Å; T239-Q243 PolarHBondContact O-N 2.62Å; T239-Q243 VanDerWaalsContact O-N 3.09Å; T239-L260 HydrophobicContact CG2-CD1 4.36Å; T239-Y416 WeakPolarHBondContact OG1-CE1 3.17Å; T239-M461 HydrophobicContact CG2-CB 3.96Å; T239-M461 HydrophobicContact CG2-CE 3.72Å; T239-M461 WeakPolarHBondContact CG2-O 3.36Å |
| 240 | E | 97.7 | Very high | 98.2 | Very high | 148 Ų | 148 | 44.8 Ų | 44.8 | 69% | 0.692 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.9 | -51.4 | 176.1 | -178.3 | 176.9 | -168 | 0 | 0 | 111.6 | S238 G242 Q243 L244 | S238-E240 VanDerWaalsContact C-N 3.26Å; S238-E240 PolarHBondContact O-N 3.08Å; E240-G242 VanDerWaalsContact C-N 3.32Å; E240-G242 PolarHBondContact O-N 3.03Å; E240-Q243 WeakPolarHBondContact O-CB 3.25Å; E240-Q243 PolarHBondContact O-N 2.95Å; E240-L244 PolarHBondContact O-N 2.82Å |
| 241 | V | 98.4 | Very high | 98 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111 | F235 S238 Q243 L244 I245 | F235-V241 HydrophobicContact CE1-CB 4.29Å; F235-V241 HydrophobicContact CE1-CG1 4.19Å; F235-V241 HydrophobicContact CE2-CG1 3.73Å; F235-V241 HydrophobicContact CZ-CB 3.73Å; F235-V241 HydrophobicContact CZ-CG1 3.42Å; F235-V241 VanDerWaalsContact CZ-CG1 3.42Å; S238-V241 PolarHBondContact O-N 2.86Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 VanDerWaalsContact OG-CG2 3.29Å; S238-V241 WeakPolarHBondContact OG-CG2 3.37Å; S238-V241 PolarHBondContact OG-N 2.8Å; V241-Q243 VanDerWaalsContact C-N 3.26Å; V241-Q243 PolarHBondContact O-N 3.06Å; V241-L244 WeakPolarHBondContact O-CB 3.37Å; V241-L244 PolarHBondContact O-N 3.44Å; V241-I245 HydrophobicContact CG1-CD1 3.96Å; V241-I245 HydrophobicContact CG1-CG1 4.34Å; V241-I245 WeakPolarHBondContact O-CG1 3.42Å; V241-I245 PolarHBondContact O-N 3.46Å |
| 242 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -39.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S238 T239 E240 I245 M246 | S238-G242 PolarHBondContact O-N 3.04Å; T239-G242 PolarHBondContact O-N 3.22Å; E240-G242 VanDerWaalsContact C-N 3.32Å; E240-G242 PolarHBondContact O-N 3.03Å; G242-I245 PolarHBondContact O-N 3.35Å; G242-M246 PolarHBondContact O-N 3.04Å |
| 243 | Q | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 174.4 | -68.1 | -178.3 | -9.7 | 0 | 0 | 112.5 | T239 E240 V241 I245 M246 K247 | T239-Q243 WeakPolarHBondContact O-CG 3.39Å; T239-Q243 PolarHBondContact O-N 2.62Å; T239-Q243 VanDerWaalsContact O-N 3.09Å; E240-Q243 WeakPolarHBondContact O-CB 3.25Å; E240-Q243 PolarHBondContact O-N 2.95Å; V241-Q243 VanDerWaalsContact C-N 3.26Å; V241-Q243 PolarHBondContact O-N 3.06Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; Q243-M246 PolarHBondContact O-N 3.37Å; Q243-K247 WeakPolarHBondContact O-CG 3.47Å; Q243-K247 PolarHBondContact O-N 3.27Å; Q243-K247 VanDerWaalsContact O-N 3.09Å |
| 244 | L | 98.2 | Very high | 97.9 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 52% | 0.518 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.7 | -60.8 | 178.5 | 0 | 0 | 0 | 110.9 | E240 V241 M246 K247 A248 | E240-L244 PolarHBondContact O-N 2.82Å; V241-L244 WeakPolarHBondContact O-CB 3.37Å; V241-L244 PolarHBondContact O-N 3.44Å; L244-M246 PolarHBondContact O-N 3.23Å; L244-K247 WeakPolarHBondContact O-CB 3.11Å; L244-K247 PolarHBondContact O-N 3.08Å; L244-A248 PolarHBondContact O-N 3.21Å |
| 245 | I | 98.2 | Very high | 97.8 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 177.4 | -71.5 | 174.2 | 0 | 0 | 0 | 111.5 | I157 T225 I233 F235 V241 G242 Q243 K247 A248 A249 V256 L258 | I157-I245 HydrophobicContact CD1-CD1 4.4Å; T225-I245 HydrophobicContact CG2-CD1 4.3Å; T225-I245 HydrophobicContact CG2-CG1 3.91Å; T225-I245 HydrophobicContact CG2-CG2 4.32Å; I233-I245 HydrophobicContact CB-CG2 4.41Å; I233-I245 HydrophobicContact CD1-CG2 4.11Å; I233-I245 HydrophobicContact CG2-CG2 3.76Å; F235-I245 HydrophobicContact CB-CD1 3.68Å; F235-I245 HydrophobicContact CB-CG2 4.46Å; F235-I245 HydrophobicContact CD1-CD1 3.8Å; F235-I245 HydrophobicContact CD2-CD1 3.11Å; F235-I245 HydrophobicContact CE1-CD1 4.18Å; F235-I245 HydrophobicContact CE2-CD1 3.57Å; F235-I245 HydrophobicContact CG-CD1 3.23Å; F235-I245 HydrophobicContact CZ-CD1 4.07Å; V241-I245 HydrophobicContact CG1-CD1 3.96Å; V241-I245 HydrophobicContact CG1-CG1 4.34Å; V241-I245 WeakPolarHBondContact O-CG1 3.42Å; V241-I245 PolarHBondContact O-N 3.46Å; G242-I245 PolarHBondContact O-N 3.35Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 3.12Å; I245-A248 PolarHBondContact O-N 3.33Å; I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 2.86Å; I245-V256 HydrophobicContact CG2-CG1 4.46Å; I245-L258 HydrophobicContact CG2-CD2 4.09Å |
| 246 | M | 97.4 | Very high | 97.7 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.6 | -166.1 | 162.2 | -178.3 | 0 | 0 | 112.1 | G242 Q243 L244 L258 M464 | G242-M246 PolarHBondContact O-N 3.04Å; Q243-M246 PolarHBondContact O-N 3.37Å; L244-M246 PolarHBondContact O-N 3.23Å; M246-L258 HydrophobicContact CB-CD1 4.28Å; M246-L258 HydrophobicContact SD-CD1 4.31Å; M246-M464 HydrophobicContact CE-CE 4.07Å; M246-M464 HydrophobicContact CE-SD 4Å |
| 247 | K | 98.1 | Very high | 97.7 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.4 | -45.8 | 171.8 | -67.1 | 168.5 | -174.9 | 173.5 | 0 | 111.3 | Q243 L244 I245 A249 A250 | Q243-K247 WeakPolarHBondContact O-CG 3.47Å; Q243-K247 PolarHBondContact O-N 3.27Å; Q243-K247 VanDerWaalsContact O-N 3.09Å; L244-K247 WeakPolarHBondContact O-CB 3.11Å; L244-K247 PolarHBondContact O-N 3.08Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 3.12Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.29Å; K247-A250 VanDerWaalsContact O-CB 3.25Å; K247-A250 WeakPolarHBondContact O-CB 3.25Å; K247-A250 PolarHBondContact O-N 3.48Å; K247-A250 VanDerWaalsContact O-N 3.12Å |
| 248 | A | 97.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -36.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H226 L244 I245 A250 T251 | H226-A248 WeakPolarHBondContact CE1-CB 3.44Å; L244-A248 PolarHBondContact O-N 3.21Å; I245-A248 PolarHBondContact O-N 3.33Å; A248-A250 PolarHBondContact O-N 3.28Å; A248-A250 VanDerWaalsContact O-N 3.13Å; A248-T251 WeakPolarHBondContact O-CB 3.32Å; A248-T251 WeakPolarHBondContact O-CG2 3.48Å; A248-T251 PolarHBondContact O-N 3.43Å; A248-T251 VanDerWaalsContact O-N 3.09Å; A248-T251 PolarHBondContact O-OG1 3.31Å |
| 249 | A | 97.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.2 | -21.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I233 I245 K247 T251 I253 K254 V256 | I233-A249 HydrophobicContact CD1-CB 4.24Å; I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 2.86Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.29Å; A249-T251 PolarHBondContact O-N 3.12Å; A249-I253 WeakPolarHBondContact O-CA 3.35Å; A249-I253 PolarHBondContact O-N 3.15Å; A249-I253 VanDerWaalsContact O-N 3.11Å; A249-K254 HydrophobicContact CB-CB 4.19Å; A249-K254 PolarHBondContact O-N 3.23Å; A249-V256 HydrophobicContact CB-CG2 3.21Å |
| 250 | A | 97.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 53.5 Ų | 53.5 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -66.7 | -20.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K247 A248 N252 | K247-A250 VanDerWaalsContact O-CB 3.25Å; K247-A250 WeakPolarHBondContact O-CB 3.25Å; K247-A250 PolarHBondContact O-N 3.48Å; K247-A250 VanDerWaalsContact O-N 3.12Å; A248-A250 PolarHBondContact O-N 3.28Å; A248-A250 VanDerWaalsContact O-N 3.13Å; A250-N252 PolarHBondContact O-N 3.49Å; A250-N252 VanDerWaalsContact O-N 3.14Å |
| 251 | T | 95.3 | Very high | 97.7 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -52.2 | -36.7 | -178.8 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | A248 A249 K254 | A248-T251 WeakPolarHBondContact O-CB 3.32Å; A248-T251 WeakPolarHBondContact O-CG2 3.48Å; A248-T251 PolarHBondContact O-N 3.43Å; A248-T251 VanDerWaalsContact O-N 3.09Å; A248-T251 PolarHBondContact O-OG1 3.31Å; A249-T251 PolarHBondContact O-N 3.12Å; T251-K254 PolarHBondContact OG1-NZ 2.94Å; T251-K254 VanDerWaalsContact OG1-NZ 3.11Å |
| 252 | N | 96.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.2 | 23.1 | 176 | 70.7 | -18.9 | 0 | 0 | 0 | 112.1 | P228 V230 A250 K254 | P228-N252 PolarHBondContact O-ND2 3.02Å; V230-N252 PolarHBondContact O-ND2 3.42Å; A250-N252 PolarHBondContact O-N 3.49Å; A250-N252 VanDerWaalsContact O-N 3.14Å; N252-K254 PolarHBondContact ND2-NZ 3.38Å; N252-K254 WeakPolarHBondContact OD1-CD 3.43Å; N252-K254 WeakPolarHBondContact OD1-CE 3.29Å; N252-K254 WeakPolarHBondContact OD1-CG 3.38Å; N252-K254 PolarHBondContact OD1-NZ 3.25Å |
| 253 | I | 97.3 | Very high | 97.7 | Very high | 143 Ų | 143 | 44 Ų | 44 | 73% | 0.733 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 62.7 | 177.8 | -47.2 | 174.9 | 0 | 0 | 0 | 111.5 | A249 | A249-I253 WeakPolarHBondContact O-CA 3.35Å; A249-I253 PolarHBondContact O-N 3.15Å; A249-I253 VanDerWaalsContact O-N 3.11Å |
| 254 | K | 97.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | trans | -74 | 150.4 | 177.7 | -47.7 | -168 | -138.4 | -64.5 | 0 | 110.7 | T225 H227 V230 R231 I233 A249 T251 N252 | T225-K254 WeakPolarHBondContact O-CE 3.25Å; T225-K254 PolarHBondContact O-NZ 2.83Å; H227-K254 PolarHBondContact O-NZ 3.19Å; V230-K254 HydrophobicContact CB-CD 4.09Å; V230-K254 HydrophobicContact CG1-CD 3.86Å; V230-K254 WeakPolarHBondContact O-CD 3.42Å; R231-K254 WeakPolarHBondContact O-CA 3.37Å; I233-K254 HydrophobicContact CD1-CD 3.82Å; I233-K254 HydrophobicContact CG1-CD 3.9Å; A249-K254 HydrophobicContact CB-CB 4.19Å; A249-K254 PolarHBondContact O-N 3.23Å; T251-K254 PolarHBondContact OG1-NZ 2.94Å; T251-K254 VanDerWaalsContact OG1-NZ 3.11Å; N252-K254 PolarHBondContact ND2-NZ 3.38Å; N252-K254 WeakPolarHBondContact OD1-CD 3.43Å; N252-K254 WeakPolarHBondContact OD1-CE 3.29Å; N252-K254 WeakPolarHBondContact OD1-CG 3.38Å; N252-K254 PolarHBondContact OD1-NZ 3.25Å | ||
| 255 | H | 97.1 | Very high | 97.8 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 30% | 0.301 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.9 | 160.6 | -70.7 | -97.6 | 0 | 0 | 0 | 108.8 | R231 A232 I233 Q478 | R231-H255 PolarHBondContact O-N 3.47Å; A232-H255 CarbonylContact C-O 3.55Å; A232-H255 WeakPolarHBondContact CA-O 3.48Å; A232-H255 HydrophobicContact CB-CB 3.78Å; I233-H255 PolarHBondContact N-O 3.2Å; H255-Q478 PolarHBondContact NE2-OE1 2.77Å |
| 256 | V | 97.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.2 | -179.2 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | I233 I245 A249 L258 M464 | I233-V256 CarbonylContact O-C 3.6Å; I233-V256 WeakPolarHBondContact O-CA 3.2Å; I245-V256 HydrophobicContact CG2-CG1 4.46Å; A249-V256 HydrophobicContact CB-CG2 3.21Å; V256-L258 HydrophobicContact CG1-CD1 4.25Å; V256-L258 HydrophobicContact CG1-CD2 3.53Å; V256-L258 HydrophobicContact CG1-CG 3.67Å; V256-M464 HydrophobicContact CB-CE 3.8Å; V256-M464 HydrophobicContact CG1-CE 4.29Å; V256-M464 VanDerWaalsContact O-CE 3.3Å; V256-M464 WeakPolarHBondContact O-CE 3.27Å |
| 257 | K | 97.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129 | 163.5 | -69.6 | -167.7 | 172 | -159.1 | 0 | 109.2 | I233 F235 M464 R466 E471 A472 | I233-K257 PolarHBondContact O-N 2.93Å; F235-K257 PolarHBondContact N-O 3.4Å; K257-M464 WeakPolarHBondContact CA-O 3.44Å; K257-R466 PolarHBondContact NZ-O 3.49Å; K257-E471 PolarHBondContact NZ-O 3.35Å; K257-A472 VanDerWaalsContact NZ-CA 3.27Å; K257-A472 PolarHBondContact NZ-O 3.25Å |
| 258 | L | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.5 | -178.8 | -58 | 178.6 | 0 | 0 | 0 | 108.6 | F235 I245 M246 V256 L260 G463 M464 | F235-L258 HydrophobicContact CB-CD2 4.01Å; F235-L258 HydrophobicContact CD1-CD2 4.1Å; I245-L258 HydrophobicContact CG2-CD2 4.09Å; M246-L258 HydrophobicContact CB-CD1 4.28Å; M246-L258 HydrophobicContact SD-CD1 4.31Å; V256-L258 HydrophobicContact CG1-CD1 4.25Å; V256-L258 HydrophobicContact CG1-CD2 3.53Å; V256-L258 HydrophobicContact CG1-CG 3.67Å; L258-L260 HydrophobicContact CB-CD1 4.01Å; L258-L260 HydrophobicContact CB-CD2 4.02Å; L258-L260 HydrophobicContact CB-CG 3.93Å; L258-L260 HydrophobicContact CD1-CD1 4.31Å; L258-G463 CarbonylContact O-C 3.45Å; L258-G463 WeakPolarHBondContact O-CA 3.43Å; L258-M464 PolarHBondContact N-O 3.41Å; L258-M464 PolarHBondContact O-N 3.47Å |
| 259 | E | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 106.4 | 168.3 | -73.9 | -61.6 | 151 | 0 | 0 | 108.2 | F235 T236 G237 G457 E467 | F235-E259 PolarHBondContact O-N 3.3Å; T236-E259 WeakPolarHBondContact CA-O 3.48Å; T236-E259 HydrophobicContact CG2-CB 3.95Å; T236-E259 WeakPolarHBondContact CG2-O 3.07Å; T236-E259 WeakPolarHBondContact OG1-CB 3.16Å; G237-E259 PolarHBondContact N-O 3.36Å; E259-G457 WeakPolarHBondContact OE1-CA 3.38Å; E259-G457 VanDerWaalsContact OE2-CA 3.27Å; E259-G457 WeakPolarHBondContact OE2-CA 3.28Å; E259-E467 HydrophobicContact CG-CG 3.74Å |
| 260 | L | 98.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | trans | -114.6 | -176.8 | -165.1 | -50.4 | 174.8 | 0 | 0 | 0 | 111.6 | F235 G237 T239 L258 M461 S462 | F235-L260 HydrophobicContact CD1-CD2 3.74Å; F235-L260 HydrophobicContact CE1-CD2 3.64Å; G237-L260 VanDerWaalsContact O-CA 3.3Å; G237-L260 WeakPolarHBondContact O-CA 3.46Å; T239-L260 HydrophobicContact CG2-CD1 4.36Å; L258-L260 HydrophobicContact CB-CD1 4.01Å; L258-L260 HydrophobicContact CB-CD2 4.02Å; L258-L260 HydrophobicContact CB-CG 3.93Å; L258-L260 HydrophobicContact CD1-CD1 4.31Å; L260-M461 WeakPolarHBondContact CD1-O 3.12Å; L260-S462 WeakPolarHBondContact CA-O 3.2Å; L260-S462 WeakPolarHBondContact CB-O 3.39Å; L260-S462 PolarHBondContact N-O 3.47Å | ||
| 261 | G | 97.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | trans | -63.4 | 173 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G237 E390 Y416 S462 | G237-G261 PolarHBondContact O-N 3.17Å; G261-E390 WeakPolarHBondContact CA-OE1 3.21Å; G261-E390 WeakPolarHBondContact CA-OE2 3.17Å; G261-Y416 WeakPolarHBondContact O-CD1 3.16Å; G261-S462 WeakPolarHBondContact O-CB 3.5Å; G261-S462 PolarHBondContact O-OG 3.41Å | ||
| 262 | G | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | trans | -145.6 | 164.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C293 E390 | G262-C293 WeakPolarHBondContact CA-O 3.22Å; G262-C293 PolarHBondContact N-O 3.24Å; G262-E390 PolarHBondContact N-OE1 3.39Å | ||
| 263 | K | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | trans | -137.3 | 56.1 | 166.6 | -162.1 | 74.3 | -169.3 | 179.8 | 0 | 110.1 | T297 R298 I386 A387 E389 Y416 | K263-T297 WeakPolarHBondContact CD-OG1 3.47Å; K263-T297 WeakPolarHBondContact CE-OG1 3.29Å; K263-R298 HydrophobicContact CG-CG 3.97Å; K263-R298 PolarHBondContact O-NE 3.44Å; K263-R298 PolarHBondContact O-NH2 3.23Å; K263-R298 VanDerWaalsContact O-NH2 3.1Å; K263-I386 WeakPolarHBondContact CE-O 3.48Å; K263-I386 PolarHBondContact NZ-O 3.17Å; K263-A387 VanDerWaalsContact CE-O 3.27Å; K263-A387 WeakPolarHBondContact CE-O 3.48Å; K263-A387 WeakPolarHBondContact CG-O 3.2Å; K263-E389 WeakPolarHBondContact CD-O 3.4Å; K263-E389 WeakPolarHBondContact CE-O 3.18Å; K263-E389 PolarHBondContact NZ-O 3.13Å; K263-Y416 HydrophobicContact CB-CD2 3.53Å; K263-Y416 HydrophobicContact CB-CE2 4.14Å; K263-Y416 HydrophobicContact CB-CG 4.26Å | ||
| 264 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | trans | -62.3 | 128.2 | -165.9 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | V294 A295 G296 T297 R298 G419 Y447 | S264-V294 PolarHBondContact OG-O 2.83Å; S264-A295 WeakPolarHBondContact CB-O 3.36Å; S264-G296 CarbonylContact O-C 3.43Å; S264-T297 PolarHBondContact O-N 3Å; S264-R298 PolarHBondContact O-N 2.8Å; S264-G419 WeakPolarHBondContact CA-O 3.36Å; S264-G419 WeakPolarHBondContact CB-O 3.49Å; S264-G419 PolarHBondContact OG-N 3.03Å; S264-G419 PolarHBondContact OG-O 3.44Å; S264-Y447 WeakPolarHBondContact CB-OH 3.36Å | ||
| 265 | P | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.3 | 175.5 | 31.7 | -31 | 0 | 0 | 0 | 111.6 | R298 F300 A411 G419 A420 G421 V437 | P265-R298 CarbonylContact C-O 3.51Å; P265-R298 WeakPolarHBondContact CA-O 3.21Å; P265-F300 HydrophobicContact CB-CD2 3.97Å; P265-F300 HydrophobicContact CB-CE2 3.82Å; P265-A411 HydrophobicContact CB-CB 3.95Å; P265-A411 HydrophobicContact CG-CB 3.87Å; P265-G419 WeakPolarHBondContact CD-O 3.36Å; P265-A420 HydrophobicContact CG-CB 3.81Å; P265-A420 CarbonylContact O-C 3.55Å; P265-A420 WeakPolarHBondContact O-CA 3.4Å; P265-G421 PolarHBondContact O-N 2.8Å; P265-V437 HydrophobicContact CG-CG1 4.31Å |
| 266 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.8 | 167.1 | -179.5 | 53.4 | 0 | 0 | 0 | 109.2 | I268 A281 A284 R298 I299 F300 F423 Y447 | L266-I268 HydrophobicContact CG-CG1 4.49Å; L266-A281 HydrophobicContact CD2-CB 3.6Å; L266-A284 HydrophobicContact CD2-CB 4.16Å; L266-R298 PolarHBondContact N-O 3.1Å; L266-I299 CarbonylContact O-C 3.25Å; L266-I299 WeakPolarHBondContact O-CA 3.5Å; L266-F300 PolarHBondContact O-N 2.85Å; L266-F423 HydrophobicContact CD1-CD2 3.81Å; L266-F423 HydrophobicContact CD1-CE2 3.89Å; L266-Y447 HydrophobicContact CB-CE2 4.21Å; L266-Y447 HydrophobicContact CD1-CD2 3.64Å; L266-Y447 HydrophobicContact CD1-CE2 4.01Å; L266-Y447 HydrophobicContact CD2-CD2 4.24Å; L266-Y447 HydrophobicContact CG-CD2 4.37Å |
| 267 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.5 | -173.4 | -59.6 | 167.1 | 0 | 0 | 0 | 109.3 | F300 F401 V407 A411 G421 V422 F423 I433 V437 | I267-F300 CarbonylContact C-O 3.5Å; I267-F300 WeakPolarHBondContact CA-O 3.42Å; I267-F300 HydrophobicContact CG1-CB 4.31Å; I267-F401 HydrophobicContact CG2-CE1 4.09Å; I267-F401 HydrophobicContact CG2-CZ 3.86Å; I267-V407 HydrophobicContact CD1-CG1 4.35Å; I267-V407 HydrophobicContact CD1-CG2 3.99Å; I267-V407 HydrophobicContact CG1-CG2 3.82Å; I267-V407 HydrophobicContact CG2-CG1 4.08Å; I267-V407 HydrophobicContact CG2-CG2 3.98Å; I267-A411 HydrophobicContact CD1-CB 4.17Å; I267-G421 PolarHBondContact N-O 3.12Å; I267-V422 HydrophobicContact CB-CG2 4.4Å; I267-V422 HydrophobicContact CG2-CG2 4.37Å; I267-V422 CarbonylContact O-C 3.51Å; I267-V422 VanDerWaalsContact O-CA 3.23Å; I267-V422 WeakPolarHBondContact O-CA 3.36Å; I267-F423 PolarHBondContact O-N 2.91Å; I267-I433 HydrophobicContact CD1-CG2 3.67Å; I267-I433 HydrophobicContact CG2-CD1 4.32Å; I267-V437 HydrophobicContact CD1-CG2 4.25Å |
| 268 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 106.9 | -179 | -49 | -175.3 | 0 | 0 | 0 | 108.4 | L266 A272 A277 A281 I299 F300 V301 Q302 I305 M309 F423 | L266-I268 HydrophobicContact CG-CG1 4.49Å; I268-A272 HydrophobicContact CG2-CB 4Å; I268-A277 HydrophobicContact CD1-CB 4.3Å; I268-A277 HydrophobicContact CG2-CB 3.87Å; I268-A281 HydrophobicContact CD1-CB 3.98Å; I268-I299 HydrophobicContact CD1-CG2 3.76Å; I268-I299 HydrophobicContact CG1-CG2 4.39Å; I268-F300 PolarHBondContact N-O 3.42Å; I268-V301 HydrophobicContact CB-CG2 4.46Å; I268-V301 HydrophobicContact CD1-CG2 4.33Å; I268-Q302 PolarHBondContact O-N 2.91Å; I268-I305 HydrophobicContact CG2-CD1 3.92Å; I268-M309 HydrophobicContact CD1-CE 3.69Å; I268-M309 HydrophobicContact CD1-SD 4.3Å; I268-M309 HydrophobicContact CG2-CE 3.9Å; I268-F423 HydrophobicContact CG2-CB 4.22Å |
| 269 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -79.6 | 155.7 | 178.2 | -71.1 | 165.2 | 0 | 0 | 0 | 111 | D271 A272 I305 F401 L404 V422 F423 T424 K429 I433 | L269-D271 WeakPolarHBondContact CB-OD1 3.01Å; L269-D271 PolarHBondContact O-N 3.39Å; L269-D271 VanDerWaalsContact O-N 3.14Å; L269-A272 WeakPolarHBondContact O-CB 3.45Å; L269-A272 PolarHBondContact O-N 3.46Å; L269-I305 WeakPolarHBondContact O-CD1 3.3Å; L269-F401 HydrophobicContact CD2-CE2 4.06Å; L269-F401 HydrophobicContact CD2-CZ 3.89Å; L269-L404 HydrophobicContact CD2-CD1 4.3Å; L269-V422 HydrophobicContact CD1-CG2 4.02Å; L269-F423 WeakPolarHBondContact CB-O 3.43Å; L269-F423 PolarHBondContact N-O 2.92Å; L269-T424 VanDerWaalsContact CD1-CB 3.49Å; L269-T424 HydrophobicContact CD1-CG2 3.97Å; L269-K429 HydrophobicContact CD1-CB 3.89Å; L269-K429 HydrophobicContact CD1-CD 3.96Å; L269-I433 HydrophobicContact CD1-CD1 3.77Å | ||
| 270 | A | 98.7 | Very high | 98.6 | Very high | 37 Ų | 37 | 29 Ų | 29 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q302 P304 I305 | A270-Q302 HydrophobicContact CB-CB 4.24Å; A270-Q302 HydrophobicContact CB-CG 4.42Å; A270-P304 HydrophobicContact CB-CB 4.23Å; A270-P304 HydrophobicContact CB-CG 4.19Å; A270-I305 HydrophobicContact CB-CG1 4.5Å; A270-I305 HydrophobicContact CB-CG2 4.28Å |
| 271 | D | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.9 | 176.3 | 62.4 | 7.6 | 0 | 0 | 0 | 113.4 | L269 T424 S425 K429 | L269-D271 WeakPolarHBondContact CB-OD1 3.01Å; L269-D271 PolarHBondContact O-N 3.39Å; L269-D271 VanDerWaalsContact O-N 3.14Å; D271-T424 VanDerWaalsContact CG-OG1 3.23Å; D271-T424 WeakPolarHBondContact OD1-CA 2.79Å; D271-T424 WeakPolarHBondContact OD1-CB 3.07Å; D271-T424 PolarHBondContact OD1-OG1 2.96Å; D271-T424 PolarHBondContact OD2-OG1 3.09Å; D271-S425 WeakPolarHBondContact O-CB 3.3Å; D271-S425 PolarHBondContact O-OG 3.48Å; D271-K429 IonicContact OD2-NZ 2.79Å; D271-K429 PolarHBondContact OD2-NZ 3.15Å |
| 272 | A | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -69.2 | 150.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I268 L269 I274 A277 F423 | I268-A272 HydrophobicContact CG2-CB 4Å; L269-A272 WeakPolarHBondContact O-CB 3.45Å; L269-A272 PolarHBondContact O-N 3.46Å; A272-I274 PolarHBondContact O-N 3.22Å; A272-A277 HydrophobicContact CB-CB 4.43Å; A272-F423 HydrophobicContact CB-CB 3.85Å |
| 273 | D | 98.5 | Very high | 98.7 | Very high | 103 Ų | 103 | 32.5 Ų | 32.5 | 55% | 0.551 | 17% | 0.168 | S | C | * | . | trans | -63.2 | 103.3 | 159.1 | 178.5 | -17.3 | 0 | 0 | 0 | 108.4 | E275 K276 A277 | D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 3.5Å; D273-E275 PolarHBondContact OD1-N 3.3Å; D273-K276 HydrophobicContact CB-CB 4.01Å; D273-K276 PolarHBondContact O-N 3.07Å; D273-K276 PolarHBondContact OD1-N 2.65Å; D273-K276 VanDerWaalsContact OD1-N 3.16Å; D273-A277 WeakPolarHBondContact O-CB 3.47Å; D273-A277 PolarHBondContact O-N 3.42Å | ||
| 274 | I | 98.3 | Very high | 98.7 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69 | -28.3 | -172.9 | -160.9 | 179.6 | 0 | 0 | 0 | 112.8 | A272 S278 I305 Q308 M309 K312 | A272-I274 PolarHBondContact O-N 3.22Å; I274-S278 VanDerWaalsContact O-CB 3.24Å; I274-S278 WeakPolarHBondContact O-CB 3.38Å; I274-S278 PolarHBondContact O-N 2.8Å; I274-S278 PolarHBondContact O-OG 3.4Å; I274-I305 HydrophobicContact CD1-CB 4.15Å; I274-Q308 HydrophobicContact CD1-CB 3.75Å; I274-Q308 HydrophobicContact CD1-CG 3.58Å; I274-Q308 VanDerWaalsContact CD1-OE1 3.24Å; I274-M309 HydrophobicContact CD1-CE 4.37Å; I274-M309 HydrophobicContact CG1-CE 3.56Å; I274-K312 HydrophobicContact CD1-CD 4.33Å; I274-K312 HydrophobicContact CG1-CD 4.15Å |
| 275 | E | 98.4 | Very high | 98.6 | Very high | 98 Ų | 98 | 32.6 Ų | 32.6 | 46% | 0.458 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.8 | -56.6 | 176.6 | -59.7 | -59.6 | 157.6 | 0 | 0 | 108.8 | D273 A277 S278 E279 K312 | D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 3.5Å; D273-E275 PolarHBondContact OD1-N 3.3Å; E275-A277 VanDerWaalsContact C-N 3.33Å; E275-A277 PolarHBondContact O-N 3.12Å; E275-S278 PolarHBondContact O-N 2.76Å; E275-S278 PolarHBondContact O-OG 3.38Å; E275-E279 PolarHBondContact O-N 2.84Å; E275-E279 VanDerWaalsContact O-N 3.13Å; E275-K312 VanDerWaalsContact OE1-CE 3.32Å; E275-K312 WeakPolarHBondContact OE1-CE 3.48Å; E275-K312 IonicContact OE1-NZ 2.73Å; E275-K312 PolarHBondContact OE1-NZ 3Å; E275-K312 IonicContact OE2-NZ 2.64Å; E275-K312 PolarHBondContact OE2-NZ 3.28Å |
| 276 | K | 98.5 | Very high | 98.6 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 177 | -174.1 | 93.6 | -178.9 | -173 | 0 | 111.8 | D273 S278 E279 V280 F423 | D273-K276 HydrophobicContact CB-CB 4.01Å; D273-K276 PolarHBondContact O-N 3.07Å; D273-K276 PolarHBondContact OD1-N 2.65Å; D273-K276 VanDerWaalsContact OD1-N 3.16Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.38Å; K276-E279 PolarHBondContact O-N 3.29Å; K276-V280 WeakPolarHBondContact O-CG2 3.39Å; K276-V280 PolarHBondContact O-N 3.29Å; K276-F423 HydrophobicContact CG-CE1 4.18Å |
| 277 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I268 A272 D273 E275 A281 M309 F423 | I268-A277 HydrophobicContact CD1-CB 4.3Å; I268-A277 HydrophobicContact CG2-CB 3.87Å; A272-A277 HydrophobicContact CB-CB 4.43Å; D273-A277 WeakPolarHBondContact O-CB 3.47Å; D273-A277 PolarHBondContact O-N 3.42Å; E275-A277 VanDerWaalsContact C-N 3.33Å; E275-A277 PolarHBondContact O-N 3.12Å; A277-A281 WeakPolarHBondContact O-CB 3.47Å; A277-A281 PolarHBondContact O-N 2.76Å; A277-M309 HydrophobicContact CB-CE 4.03Å; A277-F423 HydrophobicContact CB-CB 3.95Å; A277-F423 HydrophobicContact CB-CD1 3.61Å; A277-F423 HydrophobicContact CB-CD2 4.45Å; A277-F423 HydrophobicContact CB-CE1 4.26Å; A277-F423 HydrophobicContact CB-CG 3.73Å |
| 278 | S | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 178.5 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | I274 E275 K276 A281 H282 M309 L313 L316 | I274-S278 VanDerWaalsContact O-CB 3.24Å; I274-S278 WeakPolarHBondContact O-CB 3.38Å; I274-S278 PolarHBondContact O-N 2.8Å; I274-S278 PolarHBondContact O-OG 3.4Å; E275-S278 PolarHBondContact O-N 2.76Å; E275-S278 PolarHBondContact O-OG 3.38Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.38Å; S278-A281 PolarHBondContact O-N 3.23Å; S278-H282 WeakPolarHBondContact O-CB 3.32Å; S278-H282 PolarHBondContact O-N 3.19Å; S278-M309 VanDerWaalsContact CB-SD 3.51Å; S278-L313 VanDerWaalsContact O-CD2 3.26Å; S278-L313 WeakPolarHBondContact O-CD2 3.41Å; S278-L316 WeakPolarHBondContact O-CD1 3.23Å |
| 279 | E | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 53% | 0.528 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 176.5 | -69.7 | 177.4 | 174.1 | 0 | 0 | 111.2 | E275 K276 H282 E283 | E275-E279 PolarHBondContact O-N 2.84Å; E275-E279 VanDerWaalsContact O-N 3.13Å; K276-E279 PolarHBondContact O-N 3.29Å; E279-H282 PolarHBondContact O-N 3.01Å; E279-E283 PolarHBondContact O-N 2.75Å |
| 280 | V | 98.7 | Very high | 98.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | -180 | 178 | 0 | 0 | 0 | 0 | 111.5 | K276 H282 E283 A284 F423 Y447 | K276-V280 WeakPolarHBondContact O-CG2 3.39Å; K276-V280 PolarHBondContact O-N 3.29Å; V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 2.88Å; V280-E283 PolarHBondContact O-N 3.06Å; V280-A284 WeakPolarHBondContact O-CB 3.49Å; V280-A284 PolarHBondContact O-N 3.32Å; V280-F423 HydrophobicContact CB-CE1 4.29Å; V280-F423 HydrophobicContact CB-CE2 4.15Å; V280-F423 HydrophobicContact CB-CZ 3.51Å; V280-F423 HydrophobicContact CG1-CE2 3.89Å; V280-F423 HydrophobicContact CG1-CZ 3.52Å; V280-F423 HydrophobicContact CG2-CE1 4.35Å; V280-F423 HydrophobicContact CG2-CZ 3.89Å; V280-Y447 VanDerWaalsContact CG1-CB 3.46Å |
| 281 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L266 I268 A277 S278 T285 I299 L313 | L266-A281 HydrophobicContact CD2-CB 3.6Å; I268-A281 HydrophobicContact CD1-CB 3.98Å; A277-A281 WeakPolarHBondContact O-CB 3.47Å; A277-A281 PolarHBondContact O-N 2.76Å; S278-A281 PolarHBondContact O-N 3.23Å; A281-T285 PolarHBondContact O-N 3.4Å; A281-T285 PolarHBondContact O-OG1 3.03Å; A281-I299 HydrophobicContact CB-CD1 4.24Å; A281-I299 HydrophobicContact CB-CG2 4.29Å; A281-L313 HydrophobicContact CB-CD2 4.19Å |
| 282 | H | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -54.5 | 173.4 | -175.4 | 66.8 | 0 | 0 | 0 | 111.3 | S278 E279 V280 A284 T285 M286 L313 L316 A317 Q396 | S278-H282 WeakPolarHBondContact O-CB 3.32Å; S278-H282 PolarHBondContact O-N 3.19Å; E279-H282 PolarHBondContact O-N 3.01Å; V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 2.88Å; H282-A284 VanDerWaalsContact C-N 3.35Å; H282-A284 PolarHBondContact O-N 3.5Å; H282-T285 PolarHBondContact O-N 3.08Å; H282-T285 VanDerWaalsContact O-N 3.17Å; H282-M286 VanDerWaalsContact CE1-CG 3.48Å; H282-M286 WeakPolarHBondContact CE1-CG 3.33Å; H282-M286 VanDerWaalsContact O-CB 3.31Å; H282-M286 WeakPolarHBondContact O-CB 3.48Å; H282-M286 VanDerWaalsContact O-CG 3.3Å; H282-M286 WeakPolarHBondContact O-CG 3.43Å; H282-M286 PolarHBondContact O-N 3.11Å; H282-L313 HydrophobicContact CB-CD2 4.09Å; H282-L316 HydrophobicContact CB-CB 4.2Å; H282-L316 HydrophobicContact CB-CD1 3.83Å; H282-A317 PolarHBondContact CE1-N 2.84Å; H282-Q396 PolarHBondContact ND1-NE2 2.73Å; H282-Q396 VanDerWaalsContact ND1-NE2 3.16Å |
| 283 | E | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 31.2 Ų | 31.2 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 179.9 | -71 | -54 | 133.9 | 0 | 0 | 112.7 | E279 V280 T285 M286 V287 R320 | E279-E283 PolarHBondContact O-N 2.75Å; V280-E283 PolarHBondContact O-N 3.06Å; E283-T285 PolarHBondContact O-N 3.17Å; E283-T285 VanDerWaalsContact O-N 3.1Å; E283-M286 PolarHBondContact O-N 2.99Å; E283-V287 VanDerWaalsContact O-CB 3.25Å; E283-V287 WeakPolarHBondContact O-CB 3.31Å; E283-V287 WeakPolarHBondContact O-CG1 3.49Å; E283-V287 PolarHBondContact O-N 2.83Å; E283-R320 IonicContact OE1-CZ 3.35Å; E283-R320 IonicContact OE1-NH1 3.07Å; E283-R320 PolarHBondContact OE1-NH1 2.79Å; E283-R320 IonicContact OE2-NH1 3.87Å; E283-R320 PolarHBondContact OE2-NH1 2.79Å; E283-R320 IonicContact OE2-NH2 2.79Å |
| 284 | A | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56 | -28.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L266 V280 H282 A295 G296 Y447 | L266-A284 HydrophobicContact CD2-CB 4.16Å; V280-A284 WeakPolarHBondContact O-CB 3.49Å; V280-A284 PolarHBondContact O-N 3.32Å; H282-A284 VanDerWaalsContact C-N 3.35Å; H282-A284 PolarHBondContact O-N 3.5Å; A284-A295 CarbonylContact O-C 3.4Å; A284-A295 WeakPolarHBondContact O-CA 3.4Å; A284-G296 PolarHBondContact O-N 3.42Å; A284-Y447 HydrophobicContact CB-CD1 3.27Å; A284-Y447 HydrophobicContact CB-CD2 4.45Å; A284-Y447 HydrophobicContact CB-CE1 3.76Å; A284-Y447 HydrophobicContact CB-CG 3.68Å |
| 285 | T | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -98.4 | -36.1 | 176 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | A281 H282 E283 G290 G296 T297 V395 Q396 | A281-T285 PolarHBondContact O-N 3.4Å; A281-T285 PolarHBondContact O-OG1 3.03Å; H282-T285 PolarHBondContact O-N 3.08Å; H282-T285 VanDerWaalsContact O-N 3.17Å; E283-T285 PolarHBondContact O-N 3.17Å; E283-T285 VanDerWaalsContact O-N 3.1Å; T285-G290 WeakPolarHBondContact O-CA 3.22Å; T285-G296 PolarHBondContact OG1-O 3.22Å; T285-T297 HydrophobicContact CG2-CG2 4.43Å; T285-V395 WeakPolarHBondContact CG2-O 3.25Å; T285-Q396 HydrophobicContact CG2-CB 4.41Å; T285-Q396 HydrophobicContact CG2-CG 3.63Å |
| 286 | M | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -95.3 | -9.8 | -168.4 | -64.5 | -65.2 | -172.5 | 0 | 0 | 114.6 | H282 E283 N288 H289 R320 P374 P394 Q396 | H282-M286 VanDerWaalsContact CE1-CG 3.48Å; H282-M286 WeakPolarHBondContact CE1-CG 3.33Å; H282-M286 VanDerWaalsContact O-CB 3.31Å; H282-M286 WeakPolarHBondContact O-CB 3.48Å; H282-M286 VanDerWaalsContact O-CG 3.3Å; H282-M286 WeakPolarHBondContact O-CG 3.43Å; H282-M286 PolarHBondContact O-N 3.11Å; E283-M286 PolarHBondContact O-N 2.99Å; M286-N288 PolarHBondContact O-N 3.03Å; M286-H289 WeakPolarHBondContact O-CA 3.08Å; M286-H289 PolarHBondContact O-N 2.91Å; M286-R320 PolarHBondContact O-NH2 3.44Å; M286-P374 HydrophobicContact CE-CB 3.69Å; M286-P374 HydrophobicContact SD-CB 4.21Å; M286-P394 HydrophobicContact CE-CB 4.41Å; M286-P394 WeakPolarHBondContact CE-O 3.43Å; M286-P394 VanDerWaalsContact SD-CA 3.58Å; M286-P394 HydrophobicContact SD-CB 3.52Å; M286-P394 VanDerWaalsContact SD-CB 3.52Å; M286-Q396 HydrophobicContact CE-CG 3.94Å |
| 287 | V | 97.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 16.1 Ų | 16.1 | 20% | 0.2 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -54.3 | 137.1 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 110.3 | E283 H289 G290 C292 | E283-V287 VanDerWaalsContact O-CB 3.25Å; E283-V287 WeakPolarHBondContact O-CB 3.31Å; E283-V287 WeakPolarHBondContact O-CG1 3.49Å; E283-V287 PolarHBondContact O-N 2.83Å; V287-H289 PolarHBondContact O-N 2.82Å; V287-G290 PolarHBondContact O-N 3.07Å; V287-C292 HydrophobicContact CG1-CB 4.02Å |
| 288 | N | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | 50.4 | 34.5 | -175.5 | -160.5 | 41.2 | 0 | 0 | 0 | 112.8 | K105 N161 Y162 M286 G290 Q291 | K105-N288 WeakPolarHBondContact CE-OD1 3.45Å; N161-N288 PolarHBondContact O-ND2 2.72Å; Y162-N288 HydrophobicContact CE1-CB 4.2Å; Y162-N288 WeakPolarHBondContact OH-CB 3.47Å; M286-N288 PolarHBondContact O-N 3.03Å; N288-G290 PolarHBondContact O-N 3.33Å; N288-Q291 PolarHBondContact ND2-O 3.48Å; N288-Q291 VanDerWaalsContact O-CB 3.26Å; N288-Q291 WeakPolarHBondContact O-CB 3.33Å; N288-Q291 WeakPolarHBondContact O-CG 3.26Å; N288-Q291 PolarHBondContact O-N 3.23Å; N288-Q291 PolarHBondContact O-NE2 3.36Å |
| 289 | H | 97.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | 61.3 | 29.6 | 177.8 | -33.6 | 6.3 | 0 | 0 | 0 | 112 | G104 M286 V287 Q291 Q332 G333 P334 Q335 G393 P394 | G104-H289 PolarHBondContact O-NE2 2.9Å; M286-H289 WeakPolarHBondContact O-CA 3.08Å; M286-H289 PolarHBondContact O-N 2.91Å; V287-H289 PolarHBondContact O-N 2.82Å; H289-Q291 VanDerWaalsContact C-N 3.33Å; H289-Q332 HydrophobicContact CB-CG 3.67Å; H289-Q332 VanDerWaalsContact CG-CG 3.42Å; H289-G333 VanDerWaalsContact CD2-CA 3.44Å; H289-G333 WeakPolarHBondContact CD2-CA 3.41Å; H289-G333 PolarHBondContact CD2-N 3.42Å; H289-G333 PolarHBondContact CD2-O 3.48Å; H289-G333 PolarHBondContact CE1-N 2.64Å; H289-G333 VanDerWaalsContact NE2-C 3.32Å; H289-G333 WeakPolarHBondContact NE2-CA 3.46Å; H289-G333 PolarHBondContact NE2-N 3.37Å; H289-P334 PolarHBondContact CD2-O 3.42Å; H289-Q335 PolarHBondContact O-OE1 2.93Å; H289-G393 CarbonylContact O-C 3.58Å; H289-P394 WeakPolarHBondContact O-CD 3.29Å |
| 290 | G | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | 82.6 | 3.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T285 V287 N288 C292 F392 G393 | T285-G290 WeakPolarHBondContact O-CA 3.22Å; V287-G290 PolarHBondContact O-N 3.07Å; N288-G290 PolarHBondContact O-N 3.33Å; G290-C292 PolarHBondContact O-N 2.95Å; G290-F392 CarbonylContact O-C 3.49Å; G290-F392 VanDerWaalsContact O-C 3.25Å; G290-F392 WeakPolarHBondContact O-CA 3.46Å; G290-G393 PolarHBondContact O-N 3.02Å |
| 291 | Q | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -87.5 | 56.5 | 178.9 | -53.3 | 170.5 | 124.3 | 0 | 0 | 110.1 | W160 N161 N288 H289 F392 | W160-Q291 HydrophobicContact CH2-CB 4.07Å; W160-Q291 HydrophobicContact CH2-CG 3.97Å; W160-Q291 HydrophobicContact CZ3-CB 3.81Å; W160-Q291 VanDerWaalsContact CZ3-CD 3.49Å; W160-Q291 HydrophobicContact CZ3-CG 3.9Å; W160-Q291 VanDerWaalsContact CZ3-OE1 3.23Å; N161-Q291 HydrophobicContact CB-CB 4.25Å; N161-Q291 WeakPolarHBondContact CB-O 3.4Å; N161-Q291 PolarHBondContact ND2-O 3.06Å; N288-Q291 PolarHBondContact ND2-O 3.48Å; N288-Q291 VanDerWaalsContact O-CB 3.26Å; N288-Q291 WeakPolarHBondContact O-CB 3.33Å; N288-Q291 WeakPolarHBondContact O-CG 3.26Å; N288-Q291 PolarHBondContact O-N 3.23Å; N288-Q291 PolarHBondContact O-NE2 3.36Å; H289-Q291 VanDerWaalsContact C-N 3.33Å; Q291-F392 VanDerWaalsContact C-CZ 3.49Å; Q291-F392 HydrophobicContact CB-CD1 3.96Å; Q291-F392 HydrophobicContact CB-CE1 3.75Å; Q291-F392 HydrophobicContact CB-CZ 4.35Å; Q291-F392 HydrophobicContact CG-CD1 4.28Å; Q291-F392 HydrophobicContact CG-CE1 4.49Å | ||
| 292 | C | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | trans | -132.7 | 124.7 | -178.8 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | Y162 V287 G290 V294 A295 F392 | Y162-C292 HydrophobicContact CE2-CB 4.42Å; V287-C292 HydrophobicContact CG1-CB 4.02Å; G290-C292 PolarHBondContact O-N 2.95Å; C292-V294 PolarHBondContact O-N 3.45Å; C292-V294 VanDerWaalsContact O-N 3.17Å; C292-A295 HydrophobicContact CB-CB 4.26Å; C292-A295 WeakPolarHBondContact O-CB 3.28Å; C292-A295 PolarHBondContact O-N 3.15Å; C292-A295 VanDerWaalsContact O-N 3.08Å; C292-F392 VanDerWaalsContact C-CE2 3.49Å | ||
| 293 | C | 97.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 12.6 Ų | 12.6 | 20% | 0.196 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.3 | -175.6 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | G262 L418 | G262-C293 WeakPolarHBondContact CA-O 3.22Å; G262-C293 PolarHBondContact N-O 3.24Å; C293-L418 HydrophobicContact CB-CD2 3.59Å; C293-L418 WeakPolarHBondContact O-CD2 3.21Å |
| 294 | V | 98 | Very high | 98.4 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 9.5 | -178.2 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | S264 C292 G296 L418 W443 Y447 N448 F456 | S264-V294 PolarHBondContact OG-O 2.83Å; C292-V294 PolarHBondContact O-N 3.45Å; C292-V294 VanDerWaalsContact O-N 3.17Å; V294-G296 PolarHBondContact O-N 3.17Å; V294-L418 HydrophobicContact CB-CD2 3.93Å; V294-L418 HydrophobicContact CB-CG 4.22Å; V294-L418 HydrophobicContact CG2-CB 4.48Å; V294-L418 HydrophobicContact CG2-CD2 4.35Å; V294-L418 HydrophobicContact CG2-CG 4.1Å; V294-W443 HydrophobicContact CB-CH2 4.39Å; V294-W443 HydrophobicContact CG1-CH2 4.14Å; V294-W443 HydrophobicContact CG2-CH2 3.43Å; V294-W443 VanDerWaalsContact CG2-CH2 3.43Å; V294-W443 HydrophobicContact CG2-CZ3 3.72Å; V294-Y447 WeakPolarHBondContact O-CE1 3.21Å; V294-Y447 PolarHBondContact O-OH 2.89Å; V294-N448 VanDerWaalsContact CG1-OD1 3.31Å; V294-N448 WeakPolarHBondContact CG1-OD1 3.43Å; V294-F456 HydrophobicContact CB-CE2 4.28Å; V294-F456 HydrophobicContact CB-CZ 4.06Å; V294-F456 HydrophobicContact CG1-CE2 4.36Å; V294-F456 HydrophobicContact CG1-CZ 4.37Å; V294-F456 HydrophobicContact CG2-CE2 4.26Å; V294-F456 HydrophobicContact CG2-CZ 4.37Å |
| 295 | A | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | trans | -50.2 | 135.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S264 A284 C292 T297 | S264-A295 WeakPolarHBondContact CB-O 3.36Å; A284-A295 CarbonylContact O-C 3.4Å; A284-A295 WeakPolarHBondContact O-CA 3.4Å; C292-A295 HydrophobicContact CB-CB 4.26Å; C292-A295 WeakPolarHBondContact O-CB 3.28Å; C292-A295 PolarHBondContact O-N 3.15Å; C292-A295 VanDerWaalsContact O-N 3.08Å; A295-T297 HydrophobicContact CB-CG2 3.75Å; A295-T297 PolarHBondContact O-N 3.15Å; A295-T297 PolarHBondContact O-OG1 3.42Å | ||
| 296 | G | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -71.3 | 57.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S264 A284 T285 V294 R298 I299 Y447 | S264-G296 CarbonylContact O-C 3.43Å; A284-G296 PolarHBondContact O-N 3.42Å; T285-G296 PolarHBondContact OG1-O 3.22Å; V294-G296 PolarHBondContact O-N 3.17Å; G296-R298 VanDerWaalsContact C-N 3.28Å; G296-R298 PolarHBondContact O-N 2.99Å; G296-I299 VanDerWaalsContact O-CG1 3.32Å; G296-I299 WeakPolarHBondContact O-CG1 3.03Å; G296-Y447 WeakPolarHBondContact CA-OH 3.39Å; G296-Y447 PolarHBondContact N-OH 2.87Å | ||
| 297 | T | 98.1 | Very high | 98.4 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | trans | -79.7 | -3.7 | -166.4 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | K263 S264 T285 A295 C397 | K263-T297 WeakPolarHBondContact CD-OG1 3.47Å; K263-T297 WeakPolarHBondContact CE-OG1 3.29Å; S264-T297 PolarHBondContact O-N 3Å; T285-T297 HydrophobicContact CG2-CG2 4.43Å; A295-T297 HydrophobicContact CB-CG2 3.75Å; A295-T297 PolarHBondContact O-N 3.15Å; A295-T297 PolarHBondContact O-OG1 3.42Å; T297-C397 WeakPolarHBondContact O-CB 3.49Å | ||
| 298 | R | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 3% | 0.034 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 94.9 | 167.3 | -67.4 | -174.4 | -63.6 | 146.7 | -0.7 | 109.5 | K263 S264 P265 L266 G296 F300 A387 L399 R410 A411 | K263-R298 HydrophobicContact CG-CG 3.97Å; K263-R298 PolarHBondContact O-NE 3.44Å; K263-R298 PolarHBondContact O-NH2 3.23Å; K263-R298 VanDerWaalsContact O-NH2 3.1Å; S264-R298 PolarHBondContact O-N 2.8Å; P265-R298 CarbonylContact C-O 3.51Å; P265-R298 WeakPolarHBondContact CA-O 3.21Å; L266-R298 PolarHBondContact N-O 3.1Å; G296-R298 VanDerWaalsContact C-N 3.28Å; G296-R298 PolarHBondContact O-N 2.99Å; R298-F300 HydrophobicContact CB-CD2 4.22Å; R298-F300 HydrophobicContact CB-CE2 3.67Å; R298-F300 HydrophobicContact CB-CZ 4.37Å; R298-F300 WeakPolarHBondContact O-CD2 3.24Å; R298-F300 PolarHBondContact O-N 3.14Å; R298-A387 VanDerWaalsContact CD-O 3.3Å; R298-A387 WeakPolarHBondContact CD-O 3.46Å; R298-L399 HydrophobicContact CB-CD1 3.95Å; R298-L399 HydrophobicContact CG-CD1 4.34Å; R298-R410 PolarHBondContact NH1-O 3.3Å; R298-A411 PolarHBondContact NH2-O 2.65Å |
| 299 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 97.6 | -179.3 | -52.3 | 170.2 | 0 | 0 | 0 | 107.8 | L266 I268 A281 G296 V301 L313 Q396 C397 I398 L399 | L266-I299 CarbonylContact O-C 3.25Å; L266-I299 WeakPolarHBondContact O-CA 3.5Å; I268-I299 HydrophobicContact CD1-CG2 3.76Å; I268-I299 HydrophobicContact CG1-CG2 4.39Å; A281-I299 HydrophobicContact CB-CD1 4.24Å; A281-I299 HydrophobicContact CB-CG2 4.29Å; G296-I299 VanDerWaalsContact O-CG1 3.32Å; G296-I299 WeakPolarHBondContact O-CG1 3.03Å; I299-V301 HydrophobicContact CG2-CG2 3.88Å; I299-L313 HydrophobicContact CD1-CD1 3.98Å; I299-L313 HydrophobicContact CG2-CD1 4.49Å; I299-Q396 HydrophobicContact CD1-CB 4.23Å; I299-Q396 HydrophobicContact CD1-CG 4.1Å; I299-C397 PolarHBondContact N-O 3.42Å; I299-I398 CarbonylContact O-C 3.6Å; I299-I398 WeakPolarHBondContact O-CA 3.47Å; I299-L399 PolarHBondContact O-N 3.46Å |
| 300 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.7 | 174.9 | -69.5 | -85.8 | 0 | 0 | 0 | 109.4 | P265 L266 I267 I268 R298 L399 F401 V407 R410 | P265-F300 HydrophobicContact CB-CD2 3.97Å; P265-F300 HydrophobicContact CB-CE2 3.82Å; L266-F300 PolarHBondContact O-N 2.85Å; I267-F300 CarbonylContact C-O 3.5Å; I267-F300 WeakPolarHBondContact CA-O 3.42Å; I267-F300 HydrophobicContact CG1-CB 4.31Å; I268-F300 PolarHBondContact N-O 3.42Å; R298-F300 HydrophobicContact CB-CD2 4.22Å; R298-F300 HydrophobicContact CB-CE2 3.67Å; R298-F300 HydrophobicContact CB-CZ 4.37Å; R298-F300 WeakPolarHBondContact O-CD2 3.24Å; R298-F300 PolarHBondContact O-N 3.14Å; F300-L399 CarbonylContact C-O 3.59Å; F300-L399 WeakPolarHBondContact CA-O 3.36Å; F300-L399 HydrophobicContact CD1-CB 3.73Å; F300-L399 HydrophobicContact CE1-CB 3.89Å; F300-L399 HydrophobicContact CE1-CD2 3.82Å; F300-L399 HydrophobicContact CE1-CG 4.29Å; F300-L399 HydrophobicContact CG-CB 4.41Å; F300-L399 HydrophobicContact CZ-CD2 4.07Å; F300-F401 HydrophobicContact CB-CD1 3.77Å; F300-F401 HydrophobicContact CB-CE1 4.02Å; F300-V407 HydrophobicContact CB-CG2 3.68Å; F300-V407 HydrophobicContact CD1-CG2 4Å; F300-V407 HydrophobicContact CD2-CG2 4.44Å; F300-V407 HydrophobicContact CG-CG2 3.8Å; F300-R410 HydrophobicContact CE1-CB 4.02Å; F300-R410 HydrophobicContact CZ-CB 4.22Å |
| 301 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.7 | -178.9 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | I268 I299 I305 Y306 M309 I398 L399 K400 F401 | I268-V301 HydrophobicContact CB-CG2 4.46Å; I268-V301 HydrophobicContact CD1-CG2 4.33Å; I299-V301 HydrophobicContact CG2-CG2 3.88Å; V301-I305 HydrophobicContact CG1-CD1 4.05Å; V301-I305 HydrophobicContact CG1-CG1 3.8Å; V301-Y306 HydrophobicContact CB-CD2 3.99Å; V301-Y306 HydrophobicContact CG1-CD2 4.5Å; V301-M309 HydrophobicContact CG1-CB 3.78Å; V301-M309 HydrophobicContact CG1-CG 4.08Å; V301-M309 HydrophobicContact CG2-CB 4.21Å; V301-M309 HydrophobicContact CG2-CG 3.69Å; V301-I398 HydrophobicContact CG2-CG2 3.77Å; V301-L399 PolarHBondContact N-O 3.34Å; V301-K400 WeakPolarHBondContact O-CA 3.26Å; V301-F401 WeakPolarHBondContact O-CD1 3.38Å; V301-F401 PolarHBondContact O-N 2.91Å; V301-F401 VanDerWaalsContact O-N 3.15Å |
| 302 | Q | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.6 | -178.2 | -158.2 | 177.1 | 13.7 | 0 | 0 | 110.8 | I268 A270 P304 I305 Y306 F401 N402 | I268-Q302 PolarHBondContact O-N 2.91Å; A270-Q302 HydrophobicContact CB-CB 4.24Å; A270-Q302 HydrophobicContact CB-CG 4.42Å; Q302-P304 WeakPolarHBondContact O-CD 3.14Å; Q302-P304 VanDerWaalsContact O-N 3.08Å; Q302-I305 WeakPolarHBondContact O-CG1 2.96Å; Q302-I305 PolarHBondContact O-N 3.46Å; Q302-I305 VanDerWaalsContact O-N 3.1Å; Q302-Y306 PolarHBondContact O-N 3.41Å; Q302-F401 WeakPolarHBondContact CA-O 3.44Å; Q302-F401 HydrophobicContact CB-CE1 3.92Å; Q302-F401 HydrophobicContact CB-CE2 3.98Å; Q302-F401 HydrophobicContact CB-CZ 3.61Å; Q302-F401 HydrophobicContact CG-CD2 4.3Å; Q302-F401 HydrophobicContact CG-CE2 3.82Å; Q302-F401 HydrophobicContact CG-CZ 4Å; Q302-N402 PolarHBondContact NE2-O 3.2Å |
| 303 | A | 98.7 | Very high | 98.6 | Very high | 32 Ų | 32 | 29.2 Ų | 29.2 | 26% | 0.264 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -45.9 | -42.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I305 Y306 K400 F401 | A303-I305 VanDerWaalsContact C-N 3.27Å; A303-I305 PolarHBondContact O-N 3.37Å; A303-Y306 WeakPolarHBondContact O-CB 3.34Å; A303-Y306 PolarHBondContact O-N 2.86Å; A303-K400 HydrophobicContact CB-CD 4.21Å; A303-K400 HydrophobicContact CB-CG 4.15Å; A303-F401 PolarHBondContact N-O 2.53Å |
| 304 | P | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 30.5 Ų | 30.5 | 67% | 0.669 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -62.9 | -26.2 | -177 | -25.3 | 36.3 | 0 | 0 | 0 | 115.5 | A270 Q302 | A270-P304 HydrophobicContact CB-CB 4.23Å; A270-P304 HydrophobicContact CB-CG 4.19Å; Q302-P304 WeakPolarHBondContact O-CD 3.14Å; Q302-P304 VanDerWaalsContact O-N 3.08Å |
| 305 | I | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -112.1 | 4.8 | -177.7 | 61 | 160.8 | 0 | 0 | 0 | 112.7 | I268 L269 A270 I274 V301 Q302 A303 Q308 M309 | I268-I305 HydrophobicContact CG2-CD1 3.92Å; L269-I305 WeakPolarHBondContact O-CD1 3.3Å; A270-I305 HydrophobicContact CB-CG1 4.5Å; A270-I305 HydrophobicContact CB-CG2 4.28Å; I274-I305 HydrophobicContact CD1-CB 4.15Å; V301-I305 HydrophobicContact CG1-CD1 4.05Å; V301-I305 HydrophobicContact CG1-CG1 3.8Å; Q302-I305 WeakPolarHBondContact O-CG1 2.96Å; Q302-I305 PolarHBondContact O-N 3.46Å; Q302-I305 VanDerWaalsContact O-N 3.1Å; A303-I305 VanDerWaalsContact C-N 3.27Å; A303-I305 PolarHBondContact O-N 3.37Å; I305-Q308 PolarHBondContact O-N 3.02Å; I305-M309 PolarHBondContact O-N 3.45Å |
| 306 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -53 | -169.8 | 178.4 | -90 | 0 | 0 | 0 | 113.1 | V301 Q302 A303 Q308 M309 V310 D379 I398 K400 | V301-Y306 HydrophobicContact CB-CD2 3.99Å; V301-Y306 HydrophobicContact CG1-CD2 4.5Å; Q302-Y306 PolarHBondContact O-N 3.41Å; A303-Y306 WeakPolarHBondContact O-CB 3.34Å; A303-Y306 PolarHBondContact O-N 2.86Å; Y306-Q308 VanDerWaalsContact C-N 3.27Å; Y306-Q308 PolarHBondContact O-N 3.07Å; Y306-M309 PolarHBondContact O-N 3.16Å; Y306-M309 VanDerWaalsContact O-N 3.14Å; Y306-V310 HydrophobicContact CD1-CG2 4.11Å; Y306-V310 HydrophobicContact CE1-CG2 3.77Å; Y306-V310 HydrophobicContact CE2-CG2 4.45Å; Y306-V310 WeakPolarHBondContact O-CG2 3.27Å; Y306-V310 PolarHBondContact O-N 3.26Å; Y306-D379 WeakPolarHBondContact CE1-OD1 3.17Å; Y306-D379 VanDerWaalsContact OH-CA 3.27Å; Y306-D379 WeakPolarHBondContact OH-CA 3.29Å; Y306-D379 PolarHBondContact OH-N 3.16Å; Y306-D379 PolarHBondContact OH-OD1 2.85Å; Y306-I398 HydrophobicContact CD2-CG2 4.42Å; Y306-I398 HydrophobicContact CE2-CG2 3.78Å; Y306-K400 HydrophobicContact CD1-CD 4.5Å; Y306-K400 HydrophobicContact CD2-CB 3.62Å; Y306-K400 HydrophobicContact CD2-CD 4.37Å; Y306-K400 HydrophobicContact CD2-CG 3.83Å; Y306-K400 VanDerWaalsContact CE1-CE 3.45Å; Y306-K400 HydrophobicContact CE2-CB 3.58Å; Y306-K400 HydrophobicContact CE2-CG 4.28Å; Y306-K400 HydrophobicContact CG-CB 4.32Å; Y306-K400 HydrophobicContact CG-CD 4.23Å; Y306-K400 HydrophobicContact CG-CG 4.13Å |
| 307 | D | 98.8 | Very high | 98.8 | Very high | 110 Ų | 110 | 37.6 Ų | 37.6 | 59% | 0.588 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -64.9 | -35.9 | -176.8 | -64.7 | -32.6 | 0 | 0 | 0 | 111.2 | V310 E311 | D307-V310 PolarHBondContact O-N 2.98Å; D307-E311 PolarHBondContact O-N 2.65Å; D307-E311 VanDerWaalsContact O-N 3.12Å |
| 308 | Q | 98.7 | Very high | 98.8 | Very high | 101 Ų | 101 | 42.4 Ų | 42.4 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.4 | -166.3 | -175.2 | 9 | 0 | 0 | 111.5 | I274 I305 Y306 K312 | I274-Q308 HydrophobicContact CD1-CB 3.75Å; I274-Q308 HydrophobicContact CD1-CG 3.58Å; I274-Q308 VanDerWaalsContact CD1-OE1 3.24Å; I305-Q308 PolarHBondContact O-N 3.02Å; Y306-Q308 VanDerWaalsContact C-N 3.27Å; Y306-Q308 PolarHBondContact O-N 3.07Å; Q308-K312 WeakPolarHBondContact O-CG 3.35Å; Q308-K312 PolarHBondContact O-N 3.37Å; Q308-K312 VanDerWaalsContact O-N 3.13Å |
| 309 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 176.3 | -174.8 | 54.1 | 76 | 0 | 0 | 111.8 | I268 I274 A277 S278 V301 I305 Y306 E311 K312 L313 | I268-M309 HydrophobicContact CD1-CE 3.69Å; I268-M309 HydrophobicContact CD1-SD 4.3Å; I268-M309 HydrophobicContact CG2-CE 3.9Å; I274-M309 HydrophobicContact CD1-CE 4.37Å; I274-M309 HydrophobicContact CG1-CE 3.56Å; A277-M309 HydrophobicContact CB-CE 4.03Å; S278-M309 VanDerWaalsContact CB-SD 3.51Å; V301-M309 HydrophobicContact CG1-CB 3.78Å; V301-M309 HydrophobicContact CG1-CG 4.08Å; V301-M309 HydrophobicContact CG2-CB 4.21Å; V301-M309 HydrophobicContact CG2-CG 3.69Å; I305-M309 PolarHBondContact O-N 3.45Å; Y306-M309 PolarHBondContact O-N 3.16Å; Y306-M309 VanDerWaalsContact O-N 3.14Å; M309-E311 VanDerWaalsContact C-N 3.32Å; M309-E311 PolarHBondContact O-N 2.89Å; M309-K312 PolarHBondContact O-N 3.18Å; M309-L313 HydrophobicContact CG-CD1 3.97Å; M309-L313 HydrophobicContact CG-CG 4.26Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 3.4Å; M309-L313 HydrophobicContact SD-CD1 4.11Å; M309-L313 HydrophobicContact SD-CD2 4.25Å; M309-L313 HydrophobicContact SD-CG 3.91Å |
| 310 | V | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | Y306 D307 K312 L313 K314 V359 A378 I398 | Y306-V310 HydrophobicContact CD1-CG2 4.11Å; Y306-V310 HydrophobicContact CE1-CG2 3.77Å; Y306-V310 HydrophobicContact CE2-CG2 4.45Å; Y306-V310 WeakPolarHBondContact O-CG2 3.27Å; Y306-V310 PolarHBondContact O-N 3.26Å; D307-V310 PolarHBondContact O-N 2.98Å; V310-K312 PolarHBondContact O-N 2.88Å; V310-L313 PolarHBondContact O-N 2.82Å; V310-K314 WeakPolarHBondContact O-CB 3.45Å; V310-K314 PolarHBondContact O-N 2.7Å; V310-V359 HydrophobicContact CG1-CG1 4.12Å; V310-V359 HydrophobicContact CG1-CG2 3.91Å; V310-A378 HydrophobicContact CG1-CB 3.99Å; V310-A378 HydrophobicContact CG2-CB 3.97Å; V310-I398 HydrophobicContact CB-CD1 4.44Å; V310-I398 HydrophobicContact CG2-CD1 3.94Å; V310-I398 HydrophobicContact CG2-CG2 4.23Å |
| 311 | E | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 179.2 | -174 | 57.9 | -156.1 | 0 | 0 | 112.3 | D307 M309 K314 K315 | D307-E311 PolarHBondContact O-N 2.65Å; D307-E311 VanDerWaalsContact O-N 3.12Å; M309-E311 VanDerWaalsContact C-N 3.32Å; M309-E311 PolarHBondContact O-N 2.89Å; E311-K314 WeakPolarHBondContact O-CB 3.34Å; E311-K315 PolarHBondContact O-N 3.1Å |
| 312 | K | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 175.3 | -74.5 | -178.4 | 177 | -60.6 | 0 | 112.4 | I274 E275 Q308 M309 V310 K314 K315 L316 | I274-K312 HydrophobicContact CD1-CD 4.33Å; I274-K312 HydrophobicContact CG1-CD 4.15Å; E275-K312 VanDerWaalsContact OE1-CE 3.32Å; E275-K312 WeakPolarHBondContact OE1-CE 3.48Å; E275-K312 IonicContact OE1-NZ 2.73Å; E275-K312 PolarHBondContact OE1-NZ 3Å; E275-K312 IonicContact OE2-NZ 2.64Å; E275-K312 PolarHBondContact OE2-NZ 3.28Å; Q308-K312 WeakPolarHBondContact O-CG 3.35Å; Q308-K312 PolarHBondContact O-N 3.37Å; Q308-K312 VanDerWaalsContact O-N 3.13Å; M309-K312 PolarHBondContact O-N 3.18Å; V310-K312 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact C-N 3.29Å; K312-K314 PolarHBondContact O-N 2.79Å; K312-K315 PolarHBondContact O-N 2.75Å; K312-L316 WeakPolarHBondContact O-CG 3.21Å; K312-L316 PolarHBondContact O-N 2.83Å |
| 313 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 179.8 | -65.9 | 179.8 | 0 | 0 | 0 | 112.1 | S278 A281 H282 I299 M309 V310 L316 A317 I398 | S278-L313 VanDerWaalsContact O-CD2 3.26Å; S278-L313 WeakPolarHBondContact O-CD2 3.41Å; A281-L313 HydrophobicContact CB-CD2 4.19Å; H282-L313 HydrophobicContact CB-CD2 4.09Å; I299-L313 HydrophobicContact CD1-CD1 3.98Å; I299-L313 HydrophobicContact CG2-CD1 4.49Å; M309-L313 HydrophobicContact CG-CD1 3.97Å; M309-L313 HydrophobicContact CG-CG 4.26Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 3.4Å; M309-L313 HydrophobicContact SD-CD1 4.11Å; M309-L313 HydrophobicContact SD-CD2 4.25Å; M309-L313 HydrophobicContact SD-CG 3.91Å; V310-L313 PolarHBondContact O-N 2.82Å; L313-L316 HydrophobicContact CD2-CD1 4.43Å; L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.38Å; L313-A317 PolarHBondContact O-N 2.89Å; L313-I398 HydrophobicContact CB-CD1 4.25Å; L313-I398 HydrophobicContact CD1-CD1 3.58Å; L313-I398 HydrophobicContact CD1-CG1 3.91Å |
| 314 | K | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -54.2 | 169.3 | 177.2 | -170.4 | 172.7 | -168.1 | 0 | 111.2 | V310 E311 K312 L316 A317 E318 V359 T360 | V310-K314 WeakPolarHBondContact O-CB 3.45Å; V310-K314 PolarHBondContact O-N 2.7Å; E311-K314 WeakPolarHBondContact O-CB 3.34Å; K312-K314 VanDerWaalsContact C-N 3.29Å; K312-K314 PolarHBondContact O-N 2.79Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 3.26Å; K314-A317 PolarHBondContact O-N 3.15Å; K314-A317 VanDerWaalsContact O-N 3.17Å; K314-E318 WeakPolarHBondContact CE-OE1 3.4Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 2.71Å; K314-V359 HydrophobicContact CB-CG1 3.74Å; K314-V359 HydrophobicContact CD-CG1 3.78Å; K314-V359 HydrophobicContact CG-CG1 3.83Å; K314-T360 HydrophobicContact CG-CG2 4.13Å |
| 315 | K | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 50.4 Ų | 50.4 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -44 | -178.2 | -177.3 | 178.9 | 176.1 | -175.5 | 0 | 111.8 | E311 K312 E318 Q319 | E311-K315 PolarHBondContact O-N 3.1Å; K312-K315 PolarHBondContact O-N 2.75Å; K315-E318 PolarHBondContact O-N 3.34Å; K315-Q319 VanDerWaalsContact CE-NE2 3.26Å; K315-Q319 WeakPolarHBondContact O-CB 3.48Å; K315-Q319 WeakPolarHBondContact O-CG 3.49Å; K315-Q319 PolarHBondContact O-N 3.09Å |
| 316 | L | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.8 | -69.7 | 168.3 | 0 | 0 | 0 | 111.6 | S278 H282 K312 L313 K314 E318 Q319 R320 | S278-L316 WeakPolarHBondContact O-CD1 3.23Å; H282-L316 HydrophobicContact CB-CB 4.2Å; H282-L316 HydrophobicContact CB-CD1 3.83Å; K312-L316 WeakPolarHBondContact O-CG 3.21Å; K312-L316 PolarHBondContact O-N 2.83Å; L313-L316 HydrophobicContact CD2-CD1 4.43Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 3.26Å; L316-E318 PolarHBondContact O-N 2.84Å; L316-Q319 PolarHBondContact O-N 2.97Å; L316-R320 PolarHBondContact O-N 3.3Å; L316-R320 VanDerWaalsContact O-N 3.1Å |
| 317 | A | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H282 L313 K314 Q319 R320 T360 P374 V376 | H282-A317 PolarHBondContact CE1-N 2.84Å; L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.38Å; L313-A317 PolarHBondContact O-N 2.89Å; K314-A317 PolarHBondContact O-N 3.15Å; K314-A317 VanDerWaalsContact O-N 3.17Å; A317-Q319 VanDerWaalsContact C-N 3.31Å; A317-Q319 PolarHBondContact O-N 2.81Å; A317-R320 PolarHBondContact O-N 2.79Å; A317-T360 HydrophobicContact CB-CG2 3.89Å; A317-P374 HydrophobicContact CB-CB 3.99Å; A317-V376 HydrophobicContact CB-CG2 3.66Å |
| 318 | E | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.4 | -26.3 | 177.6 | -71.4 | 173.3 | 173.9 | 0 | 0 | 113 | K314 K315 L316 T360 | K314-E318 WeakPolarHBondContact CE-OE1 3.4Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 2.71Å; K315-E318 PolarHBondContact O-N 3.34Å; L316-E318 PolarHBondContact O-N 2.84Å; E318-T360 HydrophobicContact CG-CG2 4.15Å; E318-T360 WeakPolarHBondContact CG-OG1 3.36Å; E318-T360 WeakPolarHBondContact OE1-CB 3.37Å; E318-T360 PolarHBondContact OE1-OG1 3.11Å |
| 319 | Q | 98.2 | Very high | 98.3 | Very high | 123 Ų | 123 | 46 Ų | 46 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -85.7 | -18 | 178.5 | -72.9 | 177.9 | -16 | 0 | 0 | 113.6 | K315 L316 A317 K321 | K315-Q319 VanDerWaalsContact CE-NE2 3.26Å; K315-Q319 WeakPolarHBondContact O-CB 3.48Å; K315-Q319 WeakPolarHBondContact O-CG 3.49Å; K315-Q319 PolarHBondContact O-N 3.09Å; L316-Q319 PolarHBondContact O-N 2.97Å; A317-Q319 VanDerWaalsContact C-N 3.31Å; A317-Q319 PolarHBondContact O-N 2.81Å; Q319-K321 PolarHBondContact O-N 2.9Å |
| 320 | R | 98.3 | Very high | 98.2 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -66 | 115.8 | -177.3 | -175.3 | 176.3 | -166.2 | 79.7 | -2.9 | 110.6 | E283 M286 L316 A317 V322 I331 Q332 P374 | E283-R320 IonicContact OE1-CZ 3.35Å; E283-R320 IonicContact OE1-NH1 3.07Å; E283-R320 PolarHBondContact OE1-NH1 2.79Å; E283-R320 IonicContact OE2-NH1 3.87Å; E283-R320 PolarHBondContact OE2-NH1 2.79Å; E283-R320 IonicContact OE2-NH2 2.79Å; M286-R320 PolarHBondContact O-NH2 3.44Å; L316-R320 PolarHBondContact O-N 3.3Å; L316-R320 VanDerWaalsContact O-N 3.1Å; A317-R320 PolarHBondContact O-N 2.79Å; R320-V322 PolarHBondContact O-N 2.98Å; R320-I331 HydrophobicContact CG-CB 4.37Å; R320-I331 HydrophobicContact CG-CG2 4.29Å; R320-I331 VanDerWaalsContact CZ-CG2 3.47Å; R320-Q332 VanDerWaalsContact CD-OE1 3.27Å; R320-Q332 HydrophobicContact CG-CB 4.35Å; R320-P374 HydrophobicContact CB-CG 4.05Å; R320-P374 HydrophobicContact CG-CG 4.28Å |
| 321 | K | 98 | Very high | 98.2 | Very high | 87 Ų | 87 | 50 Ų | 50 | 38% | 0.378 | 25% | 0.25 | S | C | . | . | trans | -72.8 | 110.3 | -179.5 | -166.8 | -178 | -172.6 | -174.4 | 0 | 111.1 | Q319 D329 I331 Q332 | Q319-K321 PolarHBondContact O-N 2.9Å; K321-D329 VanDerWaalsContact CD-O 3.29Å; K321-D329 WeakPolarHBondContact CD-O 3.32Å; K321-D329 IonicContact NZ-OD1 2.75Å; K321-D329 PolarHBondContact NZ-OD1 2.73Å; K321-D329 IonicContact NZ-OD2 2.87Å; K321-D329 PolarHBondContact NZ-OD2 2.88Å; K321-I331 HydrophobicContact CB-CG1 4.42Å; K321-I331 PolarHBondContact O-N 2.77Å; K321-Q332 PolarHBondContact O-N 3.27Å | ||
| 322 | V | 98.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 133.6 | 171.5 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | R320 Q332 I365 F371 P374 | R320-V322 PolarHBondContact O-N 2.98Å; V322-Q332 CarbonylContact C-O 3.51Å; V322-Q332 WeakPolarHBondContact CA-O 3.23Å; V322-Q332 HydrophobicContact CB-CB 4.48Å; V322-Q332 HydrophobicContact CG1-CB 4.38Å; V322-Q332 HydrophobicContact CG1-CG 4.36Å; V322-Q332 WeakPolarHBondContact CG1-O 3.42Å; V322-Q332 HydrophobicContact CG2-CB 4.09Å; V322-Q332 HydrophobicContact CG2-CG 4.37Å; V322-I365 HydrophobicContact CB-CD1 3.66Å; V322-I365 HydrophobicContact CG1-CD1 3.78Å; V322-I365 HydrophobicContact CG2-CD1 3.82Å; V322-F371 HydrophobicContact CG1-CD1 3.75Å; V322-P374 HydrophobicContact CG2-CG 3.86Å |
| 323 | G | 98 | Very high | 98.2 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 21% | 0.206 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 174.1 | -159.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T330 Q332 F371 | G323-T330 WeakPolarHBondContact O-CG2 3.26Å; G323-Q332 PolarHBondContact N-O 3.14Å; G323-F371 VanDerWaalsContact O-CE1 3.27Å; G323-F371 WeakPolarHBondContact O-CE1 3.25Å |
| 324 | D | 97.9 | Very high | 98.2 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | trans | -60.5 | 122.4 | 179.9 | 178.9 | -6.8 | 0 | 0 | 0 | 111 | F326 V327 T330 | D324-F326 PolarHBondContact O-N 2.76Å; D324-F326 VanDerWaalsContact O-N 3.17Å; D324-F326 WeakPolarHBondContact OD1-CB 3.43Å; D324-F326 PolarHBondContact OD1-N 3.37Å; D324-V327 HydrophobicContact CB-CG2 3.89Å; D324-V327 PolarHBondContact O-N 3.03Å; D324-V327 VanDerWaalsContact O-N 3.1Å; D324-T330 VanDerWaalsContact O-CB 3.27Å; D324-T330 WeakPolarHBondContact O-CB 3.37Å; D324-T330 PolarHBondContact O-OG1 2.87Å | ||
| 325 | P | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15 | -179.6 | 24.1 | -32.3 | 0 | 0 | 0 | 114.7 | T36 K105 T106 V107 V327 | T36-P325 WeakPolarHBondContact OG1-CD 3.38Å; T36-P325 WeakPolarHBondContact OG1-CG 3.39Å; K105-P325 WeakPolarHBondContact O-CB 3.3Å; T106-P325 HydrophobicContact CG2-CB 4.49Å; V107-P325 PolarHBondContact N-O 3.17Å; P325-V327 VanDerWaalsContact C-N 3.34Å |
| 326 | F | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.6 | 176 | -76.1 | -100.3 | 0 | 0 | 0 | 113.4 | T4 Y5 L7 R97 A100 M101 V107 D324 | T4-F326 CarbonylContact C-O 3.51Å; T4-F326 WeakPolarHBondContact CA-O 3.45Å; Y5-F326 WeakPolarHBondContact CD2-O 3.25Å; Y5-F326 PolarHBondContact N-O 3.1Å; L7-F326 HydrophobicContact CD2-CD1 4.35Å; L7-F326 HydrophobicContact CD2-CD2 4.19Å; L7-F326 HydrophobicContact CD2-CE1 3.92Å; L7-F326 HydrophobicContact CD2-CE2 3.74Å; L7-F326 HydrophobicContact CD2-CZ 3.61Å; R97-F326 HydrophobicContact CB-CE1 4.12Å; R97-F326 HydrophobicContact CG-CE1 4.25Å; R97-F326 WeakPolarHBondContact O-CZ 3.42Å; A100-F326 HydrophobicContact CB-CE2 3.95Å; A100-F326 HydrophobicContact CB-CZ 4.01Å; M101-F326 HydrophobicContact CB-CE2 4.2Å; M101-F326 HydrophobicContact CB-CZ 3.94Å; V107-F326 HydrophobicContact CG2-CD1 4.04Å; V107-F326 HydrophobicContact CG2-CE1 4.13Å; V107-F326 HydrophobicContact CG2-CG 4.3Å; V107-F326 HydrophobicContact CG2-CZ 4.47Å; D324-F326 PolarHBondContact O-N 2.76Å; D324-F326 VanDerWaalsContact O-N 3.17Å; D324-F326 WeakPolarHBondContact OD1-CB 3.43Å; D324-F326 PolarHBondContact OD1-N 3.37Å |
| 327 | V | 98 | Very high | 98.2 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -95.2 | 123 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | T2 D324 P325 D329 T330 | T2-V327 HydrophobicContact CG2-CG1 3.33Å; D324-V327 HydrophobicContact CB-CG2 3.89Å; D324-V327 PolarHBondContact O-N 3.03Å; D324-V327 VanDerWaalsContact O-N 3.1Å; P325-V327 VanDerWaalsContact C-N 3.34Å; V327-D329 VanDerWaalsContact CG1-OD1 3.24Å; V327-D329 WeakPolarHBondContact CG1-OD1 3.18Å; V327-D329 PolarHBondContact O-N 2.99Å; V327-D329 VanDerWaalsContact O-N 3.1Å; V327-T330 VanDerWaalsContact O-CB 3.26Å; V327-T330 WeakPolarHBondContact O-CB 3.33Å; V327-T330 PolarHBondContact O-N 3.26Å; V327-T330 PolarHBondContact O-OG1 2.86Å |
| 328 | S | 95.7 | Very high | 98.1 | Very high | 36 Ų | 36 | 38 Ų | 38 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.2 | -164.4 | 68.6 | 0 | 0 | 0 | 0 | 116.1 | K3 | K3-S328 PolarHBondContact N-OG 3.05Å; K3-S328 VanDerWaalsContact O-CB 3.28Å; K3-S328 WeakPolarHBondContact O-CB 3.09Å; K3-S328 PolarHBondContact O-N 3.38Å; K3-S328 PolarHBondContact O-OG 3.06Å |
| 329 | D | 96.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.3 | 177.7 | 68.7 | -14.9 | 0 | 0 | 0 | 112.8 | T2 K321 V327 | T2-D329 HydrophobicContact CG2-CB 4.18Å; T2-D329 VanDerWaalsContact CG2-CG 3.48Å; T2-D329 WeakPolarHBondContact CG2-OD1 3.19Å; K321-D329 VanDerWaalsContact CD-O 3.29Å; K321-D329 WeakPolarHBondContact CD-O 3.32Å; K321-D329 IonicContact NZ-OD1 2.75Å; K321-D329 PolarHBondContact NZ-OD1 2.73Å; K321-D329 IonicContact NZ-OD2 2.87Å; K321-D329 PolarHBondContact NZ-OD2 2.88Å; V327-D329 VanDerWaalsContact CG1-OD1 3.24Å; V327-D329 WeakPolarHBondContact CG1-OD1 3.18Å; V327-D329 PolarHBondContact O-N 2.99Å; V327-D329 VanDerWaalsContact O-N 3.1Å |
| 330 | T | 98 | Very high | 98.1 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | trans | -65.3 | 134.1 | 167.4 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | T106 G323 D324 V327 Q332 | T106-T330 HydrophobicContact CG2-CG2 3.83Å; T106-T330 WeakPolarHBondContact CG2-O 3.15Å; G323-T330 WeakPolarHBondContact O-CG2 3.26Å; D324-T330 VanDerWaalsContact O-CB 3.27Å; D324-T330 WeakPolarHBondContact O-CB 3.37Å; D324-T330 PolarHBondContact O-OG1 2.87Å; V327-T330 VanDerWaalsContact O-CB 3.26Å; V327-T330 WeakPolarHBondContact O-CB 3.33Å; V327-T330 PolarHBondContact O-N 3.26Å; V327-T330 PolarHBondContact O-OG1 2.86Å; T330-Q332 WeakPolarHBondContact CG2-O 3.25Å | ||
| 331 | I | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 32.1 Ų | 32.1 | 43% | 0.426 | 18% | 0.178 | S | C | . | . | trans | -103 | -38.1 | 177 | -55.4 | -178.5 | 0 | 0 | 0 | 110.3 | R320 K321 | R320-I331 HydrophobicContact CG-CB 4.37Å; R320-I331 HydrophobicContact CG-CG2 4.29Å; R320-I331 VanDerWaalsContact CZ-CG2 3.47Å; K321-I331 HydrophobicContact CB-CG1 4.42Å; K321-I331 PolarHBondContact O-N 2.77Å | ||
| 332 | Q | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 131.1 | -178.5 | -173 | 175.7 | -59.3 | 0 | 0 | 110.6 | H289 R320 K321 V322 G323 T330 I372 | H289-Q332 HydrophobicContact CB-CG 3.67Å; H289-Q332 VanDerWaalsContact CG-CG 3.42Å; R320-Q332 VanDerWaalsContact CD-OE1 3.27Å; R320-Q332 HydrophobicContact CG-CB 4.35Å; K321-Q332 PolarHBondContact O-N 3.27Å; V322-Q332 CarbonylContact C-O 3.51Å; V322-Q332 WeakPolarHBondContact CA-O 3.23Å; V322-Q332 HydrophobicContact CB-CB 4.48Å; V322-Q332 HydrophobicContact CG1-CB 4.38Å; V322-Q332 HydrophobicContact CG1-CG 4.36Å; V322-Q332 WeakPolarHBondContact CG1-O 3.42Å; V322-Q332 HydrophobicContact CG2-CB 4.09Å; V322-Q332 HydrophobicContact CG2-CG 4.37Å; G323-Q332 PolarHBondContact N-O 3.14Å; T330-Q332 WeakPolarHBondContact CG2-O 3.25Å; Q332-I372 PolarHBondContact NE2-O 3.38Å |
| 333 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -101.4 | -155.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H289 F371 | H289-G333 VanDerWaalsContact CD2-CA 3.44Å; H289-G333 WeakPolarHBondContact CD2-CA 3.41Å; H289-G333 PolarHBondContact CD2-N 3.42Å; H289-G333 PolarHBondContact CD2-O 3.48Å; H289-G333 PolarHBondContact CE1-N 2.64Å; H289-G333 VanDerWaalsContact NE2-C 3.32Å; H289-G333 WeakPolarHBondContact NE2-CA 3.46Å; H289-G333 PolarHBondContact NE2-N 3.37Å; G333-F371 VanDerWaalsContact C-CE1 3.46Å | ||
| 334 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -82.7 | 162.9 | 177.5 | 35.3 | -38.7 | 0 | 0 | 0 | 113 | P35 G104 H289 Y370 F371 | P35-P334 HydrophobicContact CB-CB 4.15Å; P35-P334 HydrophobicContact CB-CG 3.74Å; P35-P334 HydrophobicContact CG-CG 3.94Å; P35-P334 WeakPolarHBondContact O-CB 3.43Å; G104-P334 WeakPolarHBondContact O-CD 3.45Å; H289-P334 PolarHBondContact CD2-O 3.42Å; P334-Y370 WeakPolarHBondContact CA-O 3.42Å; P334-F371 HydrophobicContact CB-CD1 3.98Å; P334-F371 HydrophobicContact CB-CD2 4.32Å; P334-F371 HydrophobicContact CB-CE1 3.87Å; P334-F371 HydrophobicContact CB-CE2 4.2Å; P334-F371 HydrophobicContact CB-CG 4.22Å; P334-F371 HydrophobicContact CB-CZ 3.98Å; P334-F371 VanDerWaalsContact CD-CE1 3.4Å; P334-F371 HydrophobicContact CG-CE1 4.14Å; P334-F371 HydrophobicContact CG-CZ 4.12Å; P334-F371 VanDerWaalsContact N-CE1 3.32Å | ||
| 335 | Q | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -68.1 | 158.3 | 164.4 | -51 | -51.4 | -72.5 | 0 | 0 | 110.2 | P35 H289 D337 I344 Y370 I372 | P35-Q335 WeakPolarHBondContact CB-O 3.29Å; H289-Q335 PolarHBondContact O-OE1 2.93Å; Q335-D337 PolarHBondContact O-N 3Å; Q335-I344 HydrophobicContact CB-CD1 4.36Å; Q335-I344 HydrophobicContact CG-CD1 3.72Å; Q335-Y370 WeakPolarHBondContact CG-O 3.44Å; Q335-Y370 PolarHBondContact N-O 3.42Å; Q335-Y370 WeakPolarHBondContact O-CB 3.37Å; Q335-I372 HydrophobicContact CG-CD1 3.74Å; Q335-I372 HydrophobicContact CG-CG1 4.07Å | ||
| 336 | I | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -60.5 | -37 | -169.7 | -176 | 59.5 | 0 | 0 | 0 | 115.5 | P35 N103 W160 Q188 T189 Q340 | P35-I336 WeakPolarHBondContact CB-O 3.32Å; N103-I336 HydrophobicContact CB-CD1 4.32Å; W160-I336 HydrophobicContact CB-CG1 4.25Å; W160-I336 HydrophobicContact CD2-CB 4.04Å; W160-I336 HydrophobicContact CD2-CG1 3.87Å; W160-I336 HydrophobicContact CD2-CG2 3.75Å; W160-I336 HydrophobicContact CE3-CB 3.52Å; W160-I336 HydrophobicContact CE3-CD1 4.34Å; W160-I336 HydrophobicContact CE3-CG1 3.67Å; W160-I336 HydrophobicContact CE3-CG2 3.57Å; W160-I336 HydrophobicContact CG-CG1 4.11Å; W160-I336 HydrophobicContact CH2-CB 4.12Å; W160-I336 HydrophobicContact CH2-CG2 3.4Å; W160-I336 VanDerWaalsContact CH2-CG2 3.4Å; W160-I336 HydrophobicContact CZ2-CG2 3.63Å; W160-I336 HydrophobicContact CZ3-CB 3.59Å; W160-I336 HydrophobicContact CZ3-CG1 4.27Å; W160-I336 HydrophobicContact CZ3-CG2 3.41Å; W160-I336 VanDerWaalsContact CZ3-CG2 3.41Å; Q188-I336 HydrophobicContact CB-CD1 4.07Å; Q188-I336 HydrophobicContact CB-CG1 3.74Å; Q188-I336 HydrophobicContact CG-CG1 4.1Å; T189-I336 HydrophobicContact CG2-CD1 3.5Å; T189-I336 HydrophobicContact CG2-CG1 4.49Å; I336-Q340 HydrophobicContact CG2-CB 3.95Å; I336-Q340 HydrophobicContact CG2-CG 3.49Å; I336-Q340 VanDerWaalsContact CG2-CG 3.49Å |
| 337 | D | 98.6 | Very high | 98.3 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -157.9 | 176 | -175.4 | 65.3 | 20.3 | 0 | 0 | 0 | 111.1 | Q335 V339 Q340 F341 | Q335-D337 PolarHBondContact O-N 3Å; D337-V339 VanDerWaalsContact C-N 3.29Å; D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.36Å; D337-V339 PolarHBondContact OD1-N 3.45Å; D337-V339 VanDerWaalsContact OD1-N 3.08Å; D337-Q340 WeakPolarHBondContact OD1-CG 3.23Å; D337-Q340 PolarHBondContact OD1-N 2.87Å; D337-F341 WeakPolarHBondContact O-CB 3.47Å; D337-F341 PolarHBondContact O-N 3.48Å |
| 338 | N | 98 | Very high | 98.3 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.1 | -32.4 | 177.8 | 69.6 | -57.3 | 0 | 0 | 0 | 112.4 | F341 D342 Y370 | N338-F341 PolarHBondContact O-N 2.77Å; N338-D342 WeakPolarHBondContact O-CB 3.43Å; N338-D342 VanDerWaalsContact O-CG 3.28Å; N338-D342 PolarHBondContact O-N 3.43Å; N338-Y370 HydrophobicContact CB-CD1 4.42Å; N338-Y370 HydrophobicContact CB-CE1 3.71Å |
| 339 | V | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 53% | 0.533 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.7 | -47.7 | -178.8 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | D337 K343 | D337-V339 VanDerWaalsContact C-N 3.29Å; D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.36Å; D337-V339 PolarHBondContact OD1-N 3.45Å; D337-V339 VanDerWaalsContact OD1-N 3.08Å; V339-K343 VanDerWaalsContact O-CB 3.29Å; V339-K343 WeakPolarHBondContact O-CB 3.36Å; V339-K343 PolarHBondContact O-N 3.25Å |
| 340 | Q | 98.7 | Very high | 98.6 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 175.2 | -65.8 | -56.2 | -25.1 | 0 | 0 | 111.4 | W160 I336 D337 D342 K343 I344 | W160-Q340 HydrophobicContact CH2-CG 3.98Å; W160-Q340 HydrophobicContact CZ2-CG 3.63Å; I336-Q340 HydrophobicContact CG2-CB 3.95Å; I336-Q340 HydrophobicContact CG2-CG 3.49Å; I336-Q340 VanDerWaalsContact CG2-CG 3.49Å; D337-Q340 WeakPolarHBondContact OD1-CG 3.23Å; D337-Q340 PolarHBondContact OD1-N 2.87Å; Q340-D342 PolarHBondContact O-N 3.45Å; Q340-K343 PolarHBondContact O-N 2.91Å; Q340-I344 HydrophobicContact CB-CD1 4.45Å; Q340-I344 WeakPolarHBondContact O-CB 3.17Å; Q340-I344 VanDerWaalsContact O-CD1 3.31Å; Q340-I344 WeakPolarHBondContact O-CD1 3.08Å; Q340-I344 WeakPolarHBondContact O-CG1 3.18Å; Q340-I344 PolarHBondContact O-N 3.45Å |
| 341 | F | 98.7 | Very high | 98.6 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.6 | -53.7 | 175.3 | 178.6 | -91.6 | 0 | 0 | 0 | 111.7 | D337 N338 K343 I344 M345 R364 Y370 I372 | D337-F341 WeakPolarHBondContact O-CB 3.47Å; D337-F341 PolarHBondContact O-N 3.48Å; N338-F341 PolarHBondContact O-N 2.77Å; F341-K343 VanDerWaalsContact C-N 3.34Å; F341-K343 PolarHBondContact O-N 3.07Å; F341-I344 PolarHBondContact O-N 3.06Å; F341-M345 HydrophobicContact CD1-CG 4.26Å; F341-M345 HydrophobicContact CE1-CG 3.83Å; F341-M345 HydrophobicContact CE2-CG 4.27Å; F341-M345 HydrophobicContact CZ-CG 3.82Å; F341-M345 HydrophobicContact CZ-SD 4.37Å; F341-M345 WeakPolarHBondContact O-CB 3.41Å; F341-M345 VanDerWaalsContact O-CG 3.3Å; F341-M345 WeakPolarHBondContact O-CG 3.36Å; F341-M345 PolarHBondContact O-N 3.12Å; F341-R364 HydrophobicContact CE2-CB 4.39Å; F341-R364 HydrophobicContact CE2-CG 3.97Å; F341-R364 HydrophobicContact CZ-CB 3.93Å; F341-R364 HydrophobicContact CZ-CG 3.69Å; F341-Y370 HydrophobicContact CB-CD1 4.12Å; F341-Y370 HydrophobicContact CB-CG 4.31Å; F341-Y370 HydrophobicContact CG-CD1 4.26Å; F341-I372 HydrophobicContact CD2-CD1 3.82Å; F341-I372 HydrophobicContact CD2-CG1 3.64Å; F341-I372 HydrophobicContact CE2-CD1 4.11Å; F341-I372 HydrophobicContact CE2-CG1 3.55Å |
| 342 | D | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 35.5 Ų | 35.5 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.4 | -39.3 | -179.3 | -71.5 | -22.8 | 0 | 0 | 0 | 111.7 | N338 Q340 M345 S346 | N338-D342 WeakPolarHBondContact O-CB 3.43Å; N338-D342 VanDerWaalsContact O-CG 3.28Å; N338-D342 PolarHBondContact O-N 3.43Å; Q340-D342 PolarHBondContact O-N 3.45Å; D342-M345 PolarHBondContact O-N 3.44Å; D342-S346 WeakPolarHBondContact O-CB 3.25Å; D342-S346 PolarHBondContact O-N 2.65Å |
| 343 | K | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 37% | 0.365 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.5 | -179.7 | 178.2 | 173.3 | -174.8 | 0 | 111.5 | V339 Q340 F341 S346 Y347 | V339-K343 VanDerWaalsContact O-CB 3.29Å; V339-K343 WeakPolarHBondContact O-CB 3.36Å; V339-K343 PolarHBondContact O-N 3.25Å; Q340-K343 PolarHBondContact O-N 2.91Å; F341-K343 VanDerWaalsContact C-N 3.34Å; F341-K343 PolarHBondContact O-N 3.07Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 3Å; K343-Y347 HydrophobicContact CD-CE2 4.34Å; K343-Y347 HydrophobicContact CG-CD2 4.08Å; K343-Y347 HydrophobicContact CG-CE2 3.75Å; K343-Y347 VanDerWaalsContact O-CD2 3.22Å; K343-Y347 WeakPolarHBondContact O-CD2 3.28Å; K343-Y347 PolarHBondContact O-N 3.33Å |
| 344 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | -179.9 | -64.9 | 157 | 0 | 0 | 0 | 110.3 | Q335 Q340 F341 S346 Y347 I348 I372 I391 V395 | Q335-I344 HydrophobicContact CB-CD1 4.36Å; Q335-I344 HydrophobicContact CG-CD1 3.72Å; Q340-I344 HydrophobicContact CB-CD1 4.45Å; Q340-I344 WeakPolarHBondContact O-CB 3.17Å; Q340-I344 VanDerWaalsContact O-CD1 3.31Å; Q340-I344 WeakPolarHBondContact O-CD1 3.08Å; Q340-I344 WeakPolarHBondContact O-CG1 3.18Å; Q340-I344 PolarHBondContact O-N 3.45Å; F341-I344 PolarHBondContact O-N 3.06Å; I344-S346 VanDerWaalsContact C-N 3.26Å; I344-S346 PolarHBondContact O-N 2.86Å; I344-Y347 WeakPolarHBondContact O-CB 3.23Å; I344-Y347 PolarHBondContact O-N 3.29Å; I344-I348 HydrophobicContact CG2-CD1 4.16Å; I344-I348 WeakPolarHBondContact O-CG1 3.11Å; I344-I348 PolarHBondContact O-N 2.99Å; I344-I372 HydrophobicContact CB-CD1 3.66Å; I344-I372 HydrophobicContact CD1-CD1 4.11Å; I344-I372 HydrophobicContact CG2-CD1 3.48Å; I344-I372 VanDerWaalsContact CG2-CD1 3.48Å; I344-I391 HydrophobicContact CG1-CG2 4.31Å; I344-I391 HydrophobicContact CG2-CG2 4.14Å; I344-V395 HydrophobicContact CG2-CG2 4.11Å |
| 345 | M | 98.7 | Very high | 98.6 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 176 | -70.4 | -56.5 | -61 | 0 | 0 | 111.5 | F341 D342 Y347 I348 E349 I372 | F341-M345 HydrophobicContact CD1-CG 4.26Å; F341-M345 HydrophobicContact CE1-CG 3.83Å; F341-M345 HydrophobicContact CE2-CG 4.27Å; F341-M345 HydrophobicContact CZ-CG 3.82Å; F341-M345 HydrophobicContact CZ-SD 4.37Å; F341-M345 WeakPolarHBondContact O-CB 3.41Å; F341-M345 VanDerWaalsContact O-CG 3.3Å; F341-M345 WeakPolarHBondContact O-CG 3.36Å; F341-M345 PolarHBondContact O-N 3.12Å; D342-M345 PolarHBondContact O-N 3.44Å; M345-Y347 PolarHBondContact O-N 3.05Å; M345-I348 PolarHBondContact O-N 3.16Å; M345-I348 HydrophobicContact SD-CD1 4.07Å; M345-E349 PolarHBondContact O-N 2.86Å; M345-I372 HydrophobicContact CG-CD1 4.21Å; M345-I372 HydrophobicContact SD-CD1 4.13Å; M345-I372 HydrophobicContact SD-CG1 4.17Å; M345-I372 HydrophobicContact SD-CG2 4.3Å |
| 346 | S | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 173.1 | -173 | 0 | 0 | 0 | 0 | 112.7 | D342 K343 I344 E349 K350 | D342-S346 WeakPolarHBondContact O-CB 3.25Å; D342-S346 PolarHBondContact O-N 2.65Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 3Å; I344-S346 VanDerWaalsContact C-N 3.26Å; I344-S346 PolarHBondContact O-N 2.86Å; S346-E349 PolarHBondContact O-N 2.81Å; S346-K350 WeakPolarHBondContact O-CG 3.23Å; S346-K350 PolarHBondContact O-N 3.07Å |
| 347 | Y | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 174.7 | -81.5 | -64.6 | 0 | 0 | 0 | 113.2 | K343 I344 M345 E349 K350 G351 I386 E389 I391 | K343-Y347 HydrophobicContact CD-CE2 4.34Å; K343-Y347 HydrophobicContact CG-CD2 4.08Å; K343-Y347 HydrophobicContact CG-CE2 3.75Å; K343-Y347 VanDerWaalsContact O-CD2 3.22Å; K343-Y347 WeakPolarHBondContact O-CD2 3.28Å; K343-Y347 PolarHBondContact O-N 3.33Å; I344-Y347 WeakPolarHBondContact O-CB 3.23Å; I344-Y347 PolarHBondContact O-N 3.29Å; M345-Y347 PolarHBondContact O-N 3.05Å; Y347-E349 VanDerWaalsContact C-N 3.3Å; Y347-E349 PolarHBondContact O-N 3.41Å; Y347-K350 HydrophobicContact CD1-CD 4.08Å; Y347-K350 HydrophobicContact CE1-CD 4.36Å; Y347-K350 PolarHBondContact O-N 2.78Å; Y347-G351 PolarHBondContact O-N 3.34Å; Y347-I386 VanDerWaalsContact O-CG2 3.25Å; Y347-I386 WeakPolarHBondContact O-CG2 3.31Å; Y347-E389 HydrophobicContact CE1-CB 3.76Å; Y347-E389 HydrophobicContact CE1-CG 4.43Å; Y347-E389 WeakPolarHBondContact CE1-OE2 3.21Å; Y347-E389 VanDerWaalsContact CZ-OE2 3.27Å; Y347-E389 PolarHBondContact OH-OE2 3.05Å; Y347-I391 HydrophobicContact CD1-CG1 4.26Å; Y347-I391 HydrophobicContact CD2-CB 4.28Å; Y347-I391 HydrophobicContact CD2-CG1 4.23Å; Y347-I391 HydrophobicContact CD2-CG2 4.05Å; Y347-I391 HydrophobicContact CG-CB 4.44Å; Y347-I391 HydrophobicContact CG-CG1 3.95Å; Y347-I391 HydrophobicContact CG-CG2 4.22Å |
| 348 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 174.2 | -69.5 | 168.5 | 0 | 0 | 0 | 109.9 | I344 M345 G351 K352 I372 T375 F377 V395 | I344-I348 HydrophobicContact CG2-CD1 4.16Å; I344-I348 WeakPolarHBondContact O-CG1 3.11Å; I344-I348 PolarHBondContact O-N 2.99Å; M345-I348 PolarHBondContact O-N 3.16Å; M345-I348 HydrophobicContact SD-CD1 4.07Å; I348-G351 PolarHBondContact O-N 3.29Å; I348-K352 WeakPolarHBondContact O-CG 3.49Å; I348-K352 PolarHBondContact O-N 3.15Å; I348-K352 VanDerWaalsContact O-N 3.1Å; I348-I372 HydrophobicContact CD1-CG2 3.91Å; I348-T375 HydrophobicContact CG1-CG2 4.44Å; I348-F377 HydrophobicContact CG2-CE2 4.49Å; I348-F377 HydrophobicContact CG2-CZ 4.32Å; I348-F377 WeakPolarHBondContact O-CZ 3.35Å; I348-V395 HydrophobicContact CD1-CG2 4.07Å; I348-V395 HydrophobicContact CG1-CG2 3.83Å |
| 349 | E | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.6 | -70 | -53.9 | 125.2 | 0 | 0 | 113.1 | M345 S346 Y347 G351 K352 K353 | M345-E349 PolarHBondContact O-N 2.86Å; S346-E349 PolarHBondContact O-N 2.81Å; Y347-E349 VanDerWaalsContact C-N 3.3Å; Y347-E349 PolarHBondContact O-N 3.41Å; E349-G351 VanDerWaalsContact C-N 3.33Å; E349-G351 PolarHBondContact O-N 3.48Å; E349-K352 PolarHBondContact O-N 3.36Å; E349-K352 IonicContact OE1-NZ 2.71Å; E349-K352 PolarHBondContact OE1-NZ 3.46Å; E349-K353 WeakPolarHBondContact O-CB 3.46Å; E349-K353 VanDerWaalsContact O-CG 3.31Å; E349-K353 WeakPolarHBondContact O-CG 3.26Å; E349-K353 PolarHBondContact O-N 3.47Å |
| 350 | K | 98.6 | Very high | 98.7 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 172.3 | -72.5 | 174 | -176 | 178.2 | 0 | 111.1 | S346 Y347 K352 K353 Q354 C385 | S346-K350 WeakPolarHBondContact O-CG 3.23Å; S346-K350 PolarHBondContact O-N 3.07Å; Y347-K350 HydrophobicContact CD1-CD 4.08Å; Y347-K350 HydrophobicContact CE1-CD 4.36Å; Y347-K350 PolarHBondContact O-N 2.78Å; K350-K352 PolarHBondContact O-N 3.13Å; K350-K353 PolarHBondContact O-N 3.47Å; K350-Q354 WeakPolarHBondContact O-CB 3.38Å; K350-Q354 WeakPolarHBondContact O-CG 3.36Å; K350-Q354 PolarHBondContact O-N 2.93Å; K350-C385 HydrophobicContact CD-CB 4.19Å |
| 351 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y347 I348 E349 K353 Q354 G355 A356 | Y347-G351 PolarHBondContact O-N 3.34Å; I348-G351 PolarHBondContact O-N 3.29Å; E349-G351 VanDerWaalsContact C-N 3.33Å; E349-G351 PolarHBondContact O-N 3.48Å; G351-K353 PolarHBondContact O-N 2.91Å; G351-Q354 PolarHBondContact O-N 3.34Å; G351-G355 PolarHBondContact O-N 3.07Å; G351-A356 WeakPolarHBondContact O-CB 3.39Å; G351-A356 PolarHBondContact O-N 3.16Å; G351-A356 VanDerWaalsContact O-N 3.11Å |
| 352 | K | 98.5 | Very high | 98.7 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 175.3 | -64.9 | 170.4 | -170.7 | 167.6 | 0 | 111.6 | I348 E349 K350 Q354 G355 G362 F377 | I348-K352 WeakPolarHBondContact O-CG 3.49Å; I348-K352 PolarHBondContact O-N 3.15Å; I348-K352 VanDerWaalsContact O-N 3.1Å; E349-K352 PolarHBondContact O-N 3.36Å; E349-K352 IonicContact OE1-NZ 2.71Å; E349-K352 PolarHBondContact OE1-NZ 3.46Å; K350-K352 PolarHBondContact O-N 3.13Å; K352-Q354 PolarHBondContact O-N 2.98Å; K352-G355 PolarHBondContact O-N 2.69Å; K352-G362 PolarHBondContact NZ-O 3.11Å; K352-G362 VanDerWaalsContact NZ-O 3.09Å; K352-F377 HydrophobicContact CG-CE1 4.1Å; K352-F377 HydrophobicContact CG-CZ 4.06Å |
| 353 | K | 98.6 | Very high | 98.6 | Very high | 171 Ų | 171 | 49.8 Ų | 49.8 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.7 | -32.3 | -177.2 | -73.4 | 174.3 | -177.5 | 175.6 | 0 | 113.8 | E349 K350 G351 G355 | E349-K353 WeakPolarHBondContact O-CB 3.46Å; E349-K353 VanDerWaalsContact O-CG 3.31Å; E349-K353 WeakPolarHBondContact O-CG 3.26Å; E349-K353 PolarHBondContact O-N 3.47Å; K350-K353 PolarHBondContact O-N 3.47Å; G351-K353 PolarHBondContact O-N 2.91Å; K353-G355 PolarHBondContact O-N 3.18Å |
| 354 | Q | 98.5 | Very high | 98.6 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.5 | 179 | -70.1 | 178.8 | -35.6 | 0 | 0 | 113.1 | K350 G351 K352 M384 C385 | K350-Q354 WeakPolarHBondContact O-CB 3.38Å; K350-Q354 WeakPolarHBondContact O-CG 3.36Å; K350-Q354 PolarHBondContact O-N 2.93Å; G351-Q354 PolarHBondContact O-N 3.34Å; K352-Q354 PolarHBondContact O-N 2.98Å; Q354-M384 HydrophobicContact CB-CG 4.19Å; Q354-M384 WeakPolarHBondContact O-CE 3.49Å; Q354-C385 PolarHBondContact NE2-SG 3.48Å; Q354-C385 VanDerWaalsContact NE2-SG 3.36Å |
| 355 | G | 98.1 | Very high | 98.6 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 11 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | G351 K352 K353 | G351-G355 PolarHBondContact O-N 3.07Å; K352-G355 PolarHBondContact O-N 2.69Å; K353-G355 PolarHBondContact O-N 3.18Å |
| 356 | A | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -65 | 138.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G351 L358 F377 V380 M384 I386 | G351-A356 WeakPolarHBondContact O-CB 3.39Å; G351-A356 PolarHBondContact O-N 3.16Å; G351-A356 VanDerWaalsContact O-N 3.11Å; A356-L358 PolarHBondContact O-N 3.34Å; A356-F377 HydrophobicContact CB-CB 4.2Å; A356-F377 HydrophobicContact CB-CD1 3.53Å; A356-F377 HydrophobicContact CB-CE1 4.17Å; A356-F377 HydrophobicContact CB-CG 4.07Å; A356-V380 HydrophobicContact CB-CG2 4.14Å; A356-M384 HydrophobicContact CB-CE 4.26Å; A356-M384 HydrophobicContact CB-SD 3.76Å; A356-I386 HydrophobicContact CB-CD1 3.82Å | ||
| 357 | R | 98.8 | Very high | 98.3 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.9 | 178.2 | -179.6 | 167.4 | 59 | 119.1 | -2.8 | 109.6 | V359 F377 A378 D379 | R357-V359 PolarHBondContact O-N 3.26Å; R357-F377 WeakPolarHBondContact O-CA 3.47Å; R357-A378 PolarHBondContact N-O 2.94Å; R357-A378 PolarHBondContact O-N 2.96Å; R357-D379 IonicContact CZ-OD2 2.99Å; R357-D379 IonicContact NE-OD2 2.69Å; R357-D379 PolarHBondContact NE-OD2 2.78Å; R357-D379 IonicContact NH2-OD2 2.72Å; R357-D379 PolarHBondContact NH2-OD2 2.98Å |
| 358 | L | 98.9 | Very high | 98.2 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 114 | 169.9 | -177.3 | 70 | 0 | 0 | 0 | 109.4 | A356 T375 F377 | A356-L358 PolarHBondContact O-N 3.34Å; L358-T375 HydrophobicContact CD1-CG2 3.74Å; L358-F377 HydrophobicContact CB-CD1 4.25Å; L358-F377 HydrophobicContact CB-CE1 3.82Å; L358-F377 HydrophobicContact CD1-CD1 4.32Å; L358-F377 HydrophobicContact CD1-CE1 3.82Å; L358-F377 HydrophobicContact CD1-CE2 4.36Å; L358-F377 HydrophobicContact CD1-CZ 3.84Å; L358-F377 HydrophobicContact CG-CE1 4.44Å |
| 359 | V | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -43.4 | -177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | V310 K314 R357 V376 A378 | V310-V359 HydrophobicContact CG1-CG1 4.12Å; V310-V359 HydrophobicContact CG1-CG2 3.91Å; K314-V359 HydrophobicContact CB-CG1 3.74Å; K314-V359 HydrophobicContact CD-CG1 3.78Å; K314-V359 HydrophobicContact CG-CG1 3.83Å; R357-V359 PolarHBondContact O-N 3.26Å; V359-V376 HydrophobicContact CB-CB 4.17Å; V359-V376 HydrophobicContact CB-CG1 4.12Å; V359-V376 WeakPolarHBondContact CB-O 3.49Å; V359-V376 HydrophobicContact CG2-CG1 4.34Å; V359-V376 PolarHBondContact N-O 3.36Å; V359-A378 HydrophobicContact CG2-CB 3.51Å |
| 360 | T | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 165.3 | 175.7 | -162.1 | 0 | 0 | 0 | 0 | 110.8 | K314 A317 E318 T375 V376 | K314-T360 HydrophobicContact CG-CG2 4.13Å; A317-T360 HydrophobicContact CB-CG2 3.89Å; E318-T360 HydrophobicContact CG-CG2 4.15Å; E318-T360 WeakPolarHBondContact CG-OG1 3.36Å; E318-T360 WeakPolarHBondContact OE1-CB 3.37Å; E318-T360 PolarHBondContact OE1-OG1 3.11Å; T360-T375 WeakPolarHBondContact O-CA 3.39Å; T360-V376 HydrophobicContact CG2-CB 4.14Å; T360-V376 HydrophobicContact CG2-CG2 3.91Å; T360-V376 PolarHBondContact O-N 3.35Å; T360-V376 VanDerWaalsContact O-N 3.09Å |
| 361 | G | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | trans | 71.9 | -141.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 362 | G | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | trans | 87.7 | 13.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | K352 T375 | K352-G362 PolarHBondContact NZ-O 3.11Å; K352-G362 VanDerWaalsContact NZ-O 3.09Å; G362-T375 WeakPolarHBondContact CA-OG1 3.37Å; G362-T375 PolarHBondContact N-OG1 3.31Å | ||
| 363 | C | 98.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -134.4 | 163.7 | -179.5 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | Q373 | C363-Q373 WeakPolarHBondContact O-CB 3.47Å; C363-Q373 WeakPolarHBondContact O-CG 3.44Å; C363-Q373 PolarHBondContact O-N 2.76Å |
| 364 | R | 98.2 | Very high | 98.2 | Very high | 82 Ų | 82 | 51 Ų | 51 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 149 | 165.2 | -175 | 178.5 | 179.3 | 133.6 | -0.2 | 110.6 | E38 F341 G366 E367 G369 F371 | E38-R364 IonicContact OE1-NH2 2.88Å; E38-R364 PolarHBondContact OE1-NH2 3.36Å; F341-R364 HydrophobicContact CE2-CB 4.39Å; F341-R364 HydrophobicContact CE2-CG 3.97Å; F341-R364 HydrophobicContact CZ-CB 3.93Å; F341-R364 HydrophobicContact CZ-CG 3.69Å; R364-G366 VanDerWaalsContact CD-O 3.27Å; R364-G366 WeakPolarHBondContact CD-O 3.37Å; R364-G366 WeakPolarHBondContact CG-O 3.47Å; R364-G366 PolarHBondContact NE-O 3.22Å; R364-E367 VanDerWaalsContact NH2-C 3.28Å; R364-E367 PolarHBondContact NH2-O 3.43Å; R364-E367 VanDerWaalsContact NH2-O 3.07Å; R364-G369 PolarHBondContact NH2-O 3.4Å; R364-F371 WeakPolarHBondContact CA-O 3.37Å |
| 365 | I | 98.2 | Very high | 98.2 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | trans | -103.6 | 125 | 165.5 | -60.7 | 173.9 | 0 | 0 | 0 | 109.1 | V322 F371 Q373 | V322-I365 HydrophobicContact CB-CD1 3.66Å; V322-I365 HydrophobicContact CG1-CD1 3.78Å; V322-I365 HydrophobicContact CG2-CD1 3.82Å; I365-F371 HydrophobicContact CB-CB 3.85Å; I365-F371 PolarHBondContact N-O 3.48Å; I365-Q373 HydrophobicContact CD1-CB 4.47Å; I365-Q373 HydrophobicContact CD1-CG 3.79Å; I365-Q373 HydrophobicContact CG1-CB 4.42Å; I365-Q373 HydrophobicContact CG1-CG 3.41Å; I365-Q373 VanDerWaalsContact CG1-CG 3.41Å | ||
| 366 | G | 96.2 | Very high | 98.3 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 66.3 | -174.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R364 | R364-G366 VanDerWaalsContact CD-O 3.27Å; R364-G366 WeakPolarHBondContact CD-O 3.37Å; R364-G366 WeakPolarHBondContact CG-O 3.47Å; R364-G366 PolarHBondContact NE-O 3.22Å |
| 367 | E | 95.5 | Very high | 98.3 | Very high | 190 Ų | 190 | 44 Ų | 44 | 89% | 0.888 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -108.4 | -10.4 | -177.3 | -62.8 | -176.6 | 171.7 | 0 | 0 | 113.5 | R364 | R364-E367 VanDerWaalsContact NH2-C 3.28Å; R364-E367 PolarHBondContact NH2-O 3.43Å; R364-E367 VanDerWaalsContact NH2-O 3.07Å |
| 368 | K | 96.7 | Very high | 98.3 | Very high | 108 Ų | 108 | 38.7 Ų | 38.7 | 47% | 0.47 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -129.1 | 139.3 | -177.7 | -171.4 | 173.8 | -177.2 | 178.1 | 0 | 110.3 | T37 E39 | T37-K368 WeakPolarHBondContact O-CE 3.49Å; E39-K368 IonicContact OE1-NZ 3.2Å; E39-K368 PolarHBondContact OE1-NZ 2.57Å |
| 369 | G | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 78.5 | 158.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P35 T36 E38 R364 F371 | P35-G369 WeakPolarHBondContact O-CA 3.32Å; T36-G369 WeakPolarHBondContact O-CA 3.49Å; E38-G369 PolarHBondContact OE1-N 3.43Å; R364-G369 PolarHBondContact NH2-O 3.4Å; G369-F371 PolarHBondContact O-N 2.88Å |
| 370 | Y | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | trans | -87.5 | 50.7 | -170.5 | -52.6 | -54 | 0 | 0 | 0 | 113.1 | P35 E38 P334 Q335 N338 F341 | P35-Y370 HydrophobicContact CB-CD2 3.69Å; P35-Y370 HydrophobicContact CB-CE2 4.18Å; P35-Y370 PolarHBondContact O-N 3.1Å; E38-Y370 HydrophobicContact CG-CE1 3.89Å; E38-Y370 HydrophobicContact CG-CE2 4.34Å; P334-Y370 WeakPolarHBondContact CA-O 3.42Å; Q335-Y370 WeakPolarHBondContact CG-O 3.44Å; Q335-Y370 PolarHBondContact N-O 3.42Å; Q335-Y370 WeakPolarHBondContact O-CB 3.37Å; N338-Y370 HydrophobicContact CB-CD1 4.42Å; N338-Y370 HydrophobicContact CB-CE1 3.71Å; F341-Y370 HydrophobicContact CB-CD1 4.12Å; F341-Y370 HydrophobicContact CB-CG 4.31Å; F341-Y370 HydrophobicContact CG-CD1 4.26Å | ||
| 371 | F | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | trans | -86.4 | 128.6 | -175 | -62.3 | -84.1 | 0 | 0 | 0 | 112.8 | T36 V322 G323 G333 P334 R364 I365 G369 | T36-F371 HydrophobicContact CG2-CE2 4.46Å; T36-F371 HydrophobicContact CG2-CZ 4.04Å; V322-F371 HydrophobicContact CG1-CD1 3.75Å; G323-F371 VanDerWaalsContact O-CE1 3.27Å; G323-F371 WeakPolarHBondContact O-CE1 3.25Å; G333-F371 VanDerWaalsContact C-CE1 3.46Å; P334-F371 HydrophobicContact CB-CD1 3.98Å; P334-F371 HydrophobicContact CB-CD2 4.32Å; P334-F371 HydrophobicContact CB-CE1 3.87Å; P334-F371 HydrophobicContact CB-CE2 4.2Å; P334-F371 HydrophobicContact CB-CG 4.22Å; P334-F371 HydrophobicContact CB-CZ 3.98Å; P334-F371 VanDerWaalsContact CD-CE1 3.4Å; P334-F371 HydrophobicContact CG-CE1 4.14Å; P334-F371 HydrophobicContact CG-CZ 4.12Å; P334-F371 VanDerWaalsContact N-CE1 3.32Å; R364-F371 WeakPolarHBondContact CA-O 3.37Å; I365-F371 HydrophobicContact CB-CB 3.85Å; I365-F371 PolarHBondContact N-O 3.48Å; G369-F371 PolarHBondContact O-N 2.88Å | ||
| 372 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -119.4 | 137.2 | 177.1 | -59.9 | -179 | 0 | 0 | 0 | 109 | Q332 Q335 F341 I344 M345 I348 P394 | Q332-I372 PolarHBondContact NE2-O 3.38Å; Q335-I372 HydrophobicContact CG-CD1 3.74Å; Q335-I372 HydrophobicContact CG-CG1 4.07Å; F341-I372 HydrophobicContact CD2-CD1 3.82Å; F341-I372 HydrophobicContact CD2-CG1 3.64Å; F341-I372 HydrophobicContact CE2-CD1 4.11Å; F341-I372 HydrophobicContact CE2-CG1 3.55Å; I344-I372 HydrophobicContact CB-CD1 3.66Å; I344-I372 HydrophobicContact CD1-CD1 4.11Å; I344-I372 HydrophobicContact CG2-CD1 3.48Å; I344-I372 VanDerWaalsContact CG2-CD1 3.48Å; M345-I372 HydrophobicContact CG-CD1 4.21Å; M345-I372 HydrophobicContact SD-CD1 4.13Å; M345-I372 HydrophobicContact SD-CG1 4.17Å; M345-I372 HydrophobicContact SD-CG2 4.3Å; I348-I372 HydrophobicContact CD1-CG2 3.91Å; I372-P394 HydrophobicContact CB-CG 3.98Å; I372-P394 HydrophobicContact CG2-CG 3.92Å |
| 373 | Q | 98.7 | Very high | 98.3 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | trans | -62.4 | 139.6 | 174.3 | -71.3 | -177.6 | -37.1 | 0 | 0 | 111.2 | C363 I365 T375 | C363-Q373 WeakPolarHBondContact O-CB 3.47Å; C363-Q373 WeakPolarHBondContact O-CG 3.44Å; C363-Q373 PolarHBondContact O-N 2.76Å; I365-Q373 HydrophobicContact CD1-CB 4.47Å; I365-Q373 HydrophobicContact CD1-CG 3.79Å; I365-Q373 HydrophobicContact CG1-CB 4.42Å; I365-Q373 HydrophobicContact CG1-CG 3.41Å; I365-Q373 VanDerWaalsContact CG1-CG 3.41Å; Q373-T375 PolarHBondContact O-N 3.23Å; Q373-T375 PolarHBondContact O-OG1 3.08Å | ||
| 374 | P | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | trans | -55.8 | 113.9 | 168.2 | -21.4 | 34 | 0 | 0 | 0 | 109.1 | M286 A317 R320 V322 | M286-P374 HydrophobicContact CE-CB 3.69Å; M286-P374 HydrophobicContact SD-CB 4.21Å; A317-P374 HydrophobicContact CB-CB 3.99Å; R320-P374 HydrophobicContact CB-CG 4.05Å; R320-P374 HydrophobicContact CG-CG 4.28Å; V322-P374 HydrophobicContact CG2-CG 3.86Å | ||
| 375 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.6 | -168.5 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | I348 L358 T360 G362 Q373 F377 P394 V395 Q396 | I348-T375 HydrophobicContact CG1-CG2 4.44Å; L358-T375 HydrophobicContact CD1-CG2 3.74Å; T360-T375 WeakPolarHBondContact O-CA 3.39Å; G362-T375 WeakPolarHBondContact CA-OG1 3.37Å; G362-T375 PolarHBondContact N-OG1 3.31Å; Q373-T375 PolarHBondContact O-N 3.23Å; Q373-T375 PolarHBondContact O-OG1 3.08Å; T375-F377 HydrophobicContact CG2-CD2 4.17Å; T375-F377 HydrophobicContact CG2-CE2 3.89Å; T375-P394 PolarHBondContact N-O 3.1Å; T375-V395 HydrophobicContact CG2-CG1 4.27Å; T375-V395 WeakPolarHBondContact O-CA 3.4Å; T375-Q396 PolarHBondContact O-N 3.15Å |
| 376 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.2 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | A317 V359 T360 Q396 I398 | A317-V376 HydrophobicContact CB-CG2 3.66Å; V359-V376 HydrophobicContact CB-CB 4.17Å; V359-V376 HydrophobicContact CB-CG1 4.12Å; V359-V376 WeakPolarHBondContact CB-O 3.49Å; V359-V376 HydrophobicContact CG2-CG1 4.34Å; V359-V376 PolarHBondContact N-O 3.36Å; T360-V376 HydrophobicContact CG2-CB 4.14Å; T360-V376 HydrophobicContact CG2-CG2 3.91Å; T360-V376 PolarHBondContact O-N 3.35Å; T360-V376 VanDerWaalsContact O-N 3.09Å; V376-Q396 HydrophobicContact CG2-CB 4.35Å; V376-I398 HydrophobicContact CG1-CD1 3.54Å; V376-I398 HydrophobicContact CG1-CG1 4.35Å |
| 377 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.4 | 166.2 | -76.8 | -73.5 | 0 | 0 | 0 | 110.2 | I348 K352 A356 R357 L358 T375 V380 I386 V395 Q396 I398 | I348-F377 HydrophobicContact CG2-CE2 4.49Å; I348-F377 HydrophobicContact CG2-CZ 4.32Å; I348-F377 WeakPolarHBondContact O-CZ 3.35Å; K352-F377 HydrophobicContact CG-CE1 4.1Å; K352-F377 HydrophobicContact CG-CZ 4.06Å; A356-F377 HydrophobicContact CB-CB 4.2Å; A356-F377 HydrophobicContact CB-CD1 3.53Å; A356-F377 HydrophobicContact CB-CE1 4.17Å; A356-F377 HydrophobicContact CB-CG 4.07Å; R357-F377 WeakPolarHBondContact O-CA 3.47Å; L358-F377 HydrophobicContact CB-CD1 4.25Å; L358-F377 HydrophobicContact CB-CE1 3.82Å; L358-F377 HydrophobicContact CD1-CD1 4.32Å; L358-F377 HydrophobicContact CD1-CE1 3.82Å; L358-F377 HydrophobicContact CD1-CE2 4.36Å; L358-F377 HydrophobicContact CD1-CZ 3.84Å; L358-F377 HydrophobicContact CG-CE1 4.44Å; T375-F377 HydrophobicContact CG2-CD2 4.17Å; T375-F377 HydrophobicContact CG2-CE2 3.89Å; F377-V380 HydrophobicContact CB-CG2 3.74Å; F377-I386 HydrophobicContact CB-CD1 4Å; F377-I386 HydrophobicContact CD1-CD1 4.48Å; F377-I386 HydrophobicContact CD2-CD1 3.86Å; F377-I386 HydrophobicContact CE2-CD1 4.47Å; F377-I386 HydrophobicContact CG-CD1 3.87Å; F377-V395 HydrophobicContact CD2-CG1 3.8Å; F377-V395 HydrophobicContact CE2-CG1 4.08Å; F377-Q396 PolarHBondContact N-O 2.66Å; F377-I398 PolarHBondContact O-N 3.24Å |
| 378 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 167.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | V310 R357 V359 V380 | V310-A378 HydrophobicContact CG1-CB 3.99Å; V310-A378 HydrophobicContact CG2-CB 3.97Å; R357-A378 PolarHBondContact N-O 2.94Å; R357-A378 PolarHBondContact O-N 2.96Å; V359-A378 HydrophobicContact CG2-CB 3.51Å; A378-V380 PolarHBondContact O-N 3.23Å |
| 379 | D | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 35% | 0.348 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 60.1 | 35.5 | 176.6 | -49.3 | -49.2 | 0 | 0 | 0 | 111.2 | Y306 R357 I398 | Y306-D379 WeakPolarHBondContact CE1-OD1 3.17Å; Y306-D379 VanDerWaalsContact OH-CA 3.27Å; Y306-D379 WeakPolarHBondContact OH-CA 3.29Å; Y306-D379 PolarHBondContact OH-N 3.16Å; Y306-D379 PolarHBondContact OH-OD1 2.85Å; R357-D379 IonicContact CZ-OD2 2.99Å; R357-D379 IonicContact NE-OD2 2.69Å; R357-D379 PolarHBondContact NE-OD2 2.78Å; R357-D379 IonicContact NH2-OD2 2.72Å; R357-D379 PolarHBondContact NH2-OD2 2.98Å; D379-I398 PolarHBondContact N-O 3.06Å |
| 380 | V | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | trans | -74.7 | 133.1 | 177.4 | 178 | 0 | 0 | 0 | 0 | 108.9 | A356 F377 A378 M384 I386 A387 C397 I398 L399 | A356-V380 HydrophobicContact CB-CG2 4.14Å; F377-V380 HydrophobicContact CB-CG2 3.74Å; A378-V380 PolarHBondContact O-N 3.23Å; V380-M384 HydrophobicContact CB-SD 4.29Å; V380-M384 HydrophobicContact CG1-CB 4.48Å; V380-M384 HydrophobicContact CG1-SD 3.92Å; V380-I386 HydrophobicContact CG1-CD1 4.28Å; V380-I386 HydrophobicContact CG1-CG1 4.25Å; V380-I386 HydrophobicContact CG2-CD1 3.86Å; V380-A387 HydrophobicContact CG1-CB 3.77Å; V380-C397 HydrophobicContact CB-CB 4.46Å; V380-C397 HydrophobicContact CG1-CB 4.27Å; V380-C397 HydrophobicContact CG2-CB 4.04Å; V380-I398 PolarHBondContact N-O 3.39Å; V380-L399 HydrophobicContact CB-CG 4.04Å; V380-L399 HydrophobicContact CG1-CD2 4.27Å; V380-L399 HydrophobicContact CG1-CG 4.16Å | ||
| 381 | S | 98.5 | Very high | 98.6 | Very high | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | trans | -102.6 | 154.8 | 172.4 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | E383 M384 A387 | S381-E383 PolarHBondContact O-N 2.87Å; S381-E383 VanDerWaalsContact O-N 3.11Å; S381-M384 PolarHBondContact N-SD 3.26Å; S381-M384 VanDerWaalsContact N-SD 3.43Å; S381-M384 WeakPolarHBondContact O-CB 3.43Å; S381-M384 PolarHBondContact O-N 3.04Å; S381-M384 VanDerWaalsContact O-N 3.11Å; S381-M384 WeakPolarHBondContact OG-CG 3.29Å; S381-A387 VanDerWaalsContact O-CB 3.29Å; S381-A387 WeakPolarHBondContact O-CB 3.22Å | ||
| 382 | D | 98.5 | Very high | 98.6 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.2 | -175.8 | -55.7 | -28.7 | 0 | 0 | 0 | 112.7 | M384 K388 L399 R410 | D382-M384 VanDerWaalsContact C-N 3.35Å; D382-K388 WeakPolarHBondContact O-CE 3.48Å; D382-K388 WeakPolarHBondContact O-CG 3.48Å; D382-L399 WeakPolarHBondContact OD1-CD2 3.49Å; D382-R410 IonicContact OD1-CZ 2.71Å; D382-R410 IonicContact OD1-NE 2.83Å; D382-R410 PolarHBondContact OD1-NE 2.86Å; D382-R410 IonicContact OD1-NH2 3.37Å; D382-R410 PolarHBondContact OD1-NH2 3.02Å; D382-R410 IonicContact OD2-CZ 2.66Å; D382-R410 IonicContact OD2-NE 2.59Å; D382-R410 PolarHBondContact OD2-NE 3.3Å; D382-R410 IonicContact OD2-NH2 3.67Å; D382-R410 PolarHBondContact OD2-NH2 2.61Å |
| 383 | E | 98.1 | Very high | 98.6 | Very high | 140 Ų | 140 | 31.3 Ų | 31.3 | 65% | 0.654 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.3 | 179.7 | -64.1 | -52.2 | 137.4 | 0 | 0 | 114.3 | S381 K388 | S381-E383 PolarHBondContact O-N 2.87Å; S381-E383 VanDerWaalsContact O-N 3.11Å; E383-K388 IonicContact OE1-NZ 3.83Å; E383-K388 IonicContact OE2-NZ 2.67Å; E383-K388 PolarHBondContact OE2-NZ 3.16Å |
| 384 | M | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -70.3 | 145 | -177.6 | -62.5 | 176 | -179.2 | 0 | 0 | 111.4 | Q354 A356 V380 S381 D382 I386 A387 K388 | Q354-M384 HydrophobicContact CB-CG 4.19Å; Q354-M384 WeakPolarHBondContact O-CE 3.49Å; A356-M384 HydrophobicContact CB-CE 4.26Å; A356-M384 HydrophobicContact CB-SD 3.76Å; V380-M384 HydrophobicContact CB-SD 4.29Å; V380-M384 HydrophobicContact CG1-CB 4.48Å; V380-M384 HydrophobicContact CG1-SD 3.92Å; S381-M384 PolarHBondContact N-SD 3.26Å; S381-M384 VanDerWaalsContact N-SD 3.43Å; S381-M384 WeakPolarHBondContact O-CB 3.43Å; S381-M384 PolarHBondContact O-N 3.04Å; S381-M384 VanDerWaalsContact O-N 3.11Å; S381-M384 WeakPolarHBondContact OG-CG 3.29Å; D382-M384 VanDerWaalsContact C-N 3.35Å; M384-I386 HydrophobicContact CB-CG1 4.02Å; M384-I386 PolarHBondContact O-N 2.97Å; M384-A387 HydrophobicContact CB-CB 4.43Å; M384-A387 WeakPolarHBondContact O-CA 3.47Å; M384-A387 WeakPolarHBondContact O-CB 3.45Å; M384-A387 PolarHBondContact O-N 3.39Å; M384-K388 PolarHBondContact O-N 2.78Å |
| 385 | C | 98.2 | Very high | 98.6 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 18% | 0.176 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.3 | -41.2 | 176.2 | -76.1 | 0 | 0 | 0 | 0 | 111.4 | K350 Q354 A387 K388 E389 | K350-C385 HydrophobicContact CD-CB 4.19Å; Q354-C385 PolarHBondContact NE2-SG 3.48Å; Q354-C385 VanDerWaalsContact NE2-SG 3.36Å; C385-A387 PolarHBondContact O-N 2.88Å; C385-K388 PolarHBondContact O-N 3.06Å; C385-K388 VanDerWaalsContact O-N 3.1Å; C385-E389 PolarHBondContact O-N 3Å; C385-E389 PolarHBondContact SG-OE1 2.96Å |
| 386 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66 | -18.3 | 178.4 | 60.2 | 164.5 | 0 | 0 | 0 | 113.2 | K263 Y347 A356 F377 V380 M384 I391 C397 | K263-I386 WeakPolarHBondContact CE-O 3.48Å; K263-I386 PolarHBondContact NZ-O 3.17Å; Y347-I386 VanDerWaalsContact O-CG2 3.25Å; Y347-I386 WeakPolarHBondContact O-CG2 3.31Å; A356-I386 HydrophobicContact CB-CD1 3.82Å; F377-I386 HydrophobicContact CB-CD1 4Å; F377-I386 HydrophobicContact CD1-CD1 4.48Å; F377-I386 HydrophobicContact CD2-CD1 3.86Å; F377-I386 HydrophobicContact CE2-CD1 4.47Å; F377-I386 HydrophobicContact CG-CD1 3.87Å; V380-I386 HydrophobicContact CG1-CD1 4.28Å; V380-I386 HydrophobicContact CG1-CG1 4.25Å; V380-I386 HydrophobicContact CG2-CD1 3.86Å; M384-I386 HydrophobicContact CB-CG1 4.02Å; M384-I386 PolarHBondContact O-N 2.97Å; I386-I391 HydrophobicContact CB-CD1 4Å; I386-I391 HydrophobicContact CG2-CD1 4.07Å; I386-C397 PolarHBondContact O-SG 2.97Å; I386-C397 VanDerWaalsContact O-SG 3.4Å |
| 387 | A | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -88.6 | -26.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K263 R298 V380 S381 M384 C385 | K263-A387 VanDerWaalsContact CE-O 3.27Å; K263-A387 WeakPolarHBondContact CE-O 3.48Å; K263-A387 WeakPolarHBondContact CG-O 3.2Å; R298-A387 VanDerWaalsContact CD-O 3.3Å; R298-A387 WeakPolarHBondContact CD-O 3.46Å; V380-A387 HydrophobicContact CG1-CB 3.77Å; S381-A387 VanDerWaalsContact O-CB 3.29Å; S381-A387 WeakPolarHBondContact O-CB 3.22Å; M384-A387 HydrophobicContact CB-CB 4.43Å; M384-A387 WeakPolarHBondContact O-CA 3.47Å; M384-A387 WeakPolarHBondContact O-CB 3.45Å; M384-A387 PolarHBondContact O-N 3.39Å; C385-A387 PolarHBondContact O-N 2.88Å |
| 388 | K | 98.5 | Very high | 98.6 | Very high | 97 Ų | 97 | 27.5 Ų | 27.5 | 42% | 0.422 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -97.8 | -39.9 | -174.9 | -66 | -175.7 | 179.1 | 175.4 | 0 | 114.2 | D382 E383 M384 C385 | D382-K388 WeakPolarHBondContact O-CE 3.48Å; D382-K388 WeakPolarHBondContact O-CG 3.48Å; E383-K388 IonicContact OE1-NZ 3.83Å; E383-K388 IonicContact OE2-NZ 2.67Å; E383-K388 PolarHBondContact OE2-NZ 3.16Å; M384-K388 PolarHBondContact O-N 2.78Å; C385-K388 PolarHBondContact O-N 3.06Å; C385-K388 VanDerWaalsContact O-N 3.1Å |
| 389 | E | 98.2 | Very high | 98.6 | Very high | 68 Ų | 68 | 27.5 Ų | 27.5 | 32% | 0.318 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -99.2 | 145.9 | -169 | -62.6 | 173.5 | -136.8 | 0 | 0 | 111.8 | K263 Y347 C385 I391 | K263-E389 WeakPolarHBondContact CD-O 3.4Å; K263-E389 WeakPolarHBondContact CE-O 3.18Å; K263-E389 PolarHBondContact NZ-O 3.13Å; Y347-E389 HydrophobicContact CE1-CB 3.76Å; Y347-E389 HydrophobicContact CE1-CG 4.43Å; Y347-E389 WeakPolarHBondContact CE1-OE2 3.21Å; Y347-E389 VanDerWaalsContact CZ-OE2 3.27Å; Y347-E389 PolarHBondContact OH-OE2 3.05Å; C385-E389 PolarHBondContact O-N 3Å; C385-E389 PolarHBondContact SG-OE1 2.96Å; E389-I391 PolarHBondContact O-N 3.17Å |
| 390 | E | 98.4 | Very high | 98.6 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 13% | 0.131 | 14% | 0.142 | C | C | . | . | trans | -70.9 | 111.9 | 174 | -174.6 | 177.4 | -124.1 | 0 | 0 | 110.2 | G261 G262 F392 | G261-E390 WeakPolarHBondContact CA-OE1 3.21Å; G261-E390 WeakPolarHBondContact CA-OE2 3.17Å; G262-E390 PolarHBondContact N-OE1 3.39Å; E390-F392 HydrophobicContact CG-CB 4.29Å; E390-F392 HydrophobicContact CG-CD2 4.02Å | ||
| 391 | I | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | trans | -78.7 | -40.9 | -179.6 | -58.6 | 173.2 | 0 | 0 | 0 | 110.6 | I344 Y347 I386 E389 G393 V395 | I344-I391 HydrophobicContact CG1-CG2 4.31Å; I344-I391 HydrophobicContact CG2-CG2 4.14Å; Y347-I391 HydrophobicContact CD1-CG1 4.26Å; Y347-I391 HydrophobicContact CD2-CB 4.28Å; Y347-I391 HydrophobicContact CD2-CG1 4.23Å; Y347-I391 HydrophobicContact CD2-CG2 4.05Å; Y347-I391 HydrophobicContact CG-CB 4.44Å; Y347-I391 HydrophobicContact CG-CG1 3.95Å; Y347-I391 HydrophobicContact CG-CG2 4.22Å; I386-I391 HydrophobicContact CB-CD1 4Å; I386-I391 HydrophobicContact CG2-CD1 4.07Å; E389-I391 PolarHBondContact O-N 3.17Å; I391-G393 VanDerWaalsContact C-N 3.34Å; I391-G393 PolarHBondContact O-N 3.29Å; I391-V395 HydrophobicContact CD1-CB 4.01Å; I391-V395 HydrophobicContact CD1-CG1 3.92Å; I391-V395 HydrophobicContact CG2-CB 4.26Å; I391-V395 HydrophobicContact CG2-CG2 4.01Å | ||
| 392 | F | 98.5 | Very high | 98.6 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 11% | 0.114 | 15% | 0.148 | C | C | . | . | trans | 60 | 38 | -179.5 | -141.6 | -113.8 | 0 | 0 | 0 | 114.5 | W160 N161 G290 Q291 C292 E390 | W160-F392 AromaticContact CH2-CD1 3.41Å; W160-F392 HydrophobicContact CH2-CD1 3.41Å; W160-F392 VanDerWaalsContact CH2-CD1 3.41Å; W160-F392 AromaticContact CH2-CE1 3.28Å; W160-F392 HydrophobicContact CH2-CE1 3.28Å; W160-F392 AromaticContact CZ2-CD1 3.74Å; W160-F392 HydrophobicContact CZ2-CD1 3.74Å; W160-F392 AromaticContact CZ2-CE1 3.6Å; W160-F392 HydrophobicContact CZ2-CE1 3.6Å; W160-F392 HydrophobicContact CZ3-CD1 4.36Å; W160-F392 AromaticContact CZ3-CE1 3.9Å; W160-F392 HydrophobicContact CZ3-CE1 3.9Å; N161-F392 HydrophobicContact CB-CE1 4Å; N161-F392 HydrophobicContact CB-CZ 4.02Å; G290-F392 CarbonylContact O-C 3.49Å; G290-F392 VanDerWaalsContact O-C 3.25Å; G290-F392 WeakPolarHBondContact O-CA 3.46Å; Q291-F392 VanDerWaalsContact C-CZ 3.49Å; Q291-F392 HydrophobicContact CB-CD1 3.96Å; Q291-F392 HydrophobicContact CB-CE1 3.75Å; Q291-F392 HydrophobicContact CB-CZ 4.35Å; Q291-F392 HydrophobicContact CG-CD1 4.28Å; Q291-F392 HydrophobicContact CG-CE1 4.49Å; C292-F392 VanDerWaalsContact C-CE2 3.49Å; E390-F392 HydrophobicContact CG-CB 4.29Å; E390-F392 HydrophobicContact CG-CD2 4.02Å | ||
| 393 | G | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -152.4 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H289 G290 I391 V395 | H289-G393 CarbonylContact O-C 3.58Å; G290-G393 PolarHBondContact O-N 3.02Å; I391-G393 VanDerWaalsContact C-N 3.34Å; I391-G393 PolarHBondContact O-N 3.29Å; G393-V395 PolarHBondContact O-N 2.59Å |
| 394 | P | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -80.4 | 62.8 | -166.8 | 33.7 | -36.1 | 0 | 0 | 0 | 112 | M286 H289 I372 T375 | M286-P394 HydrophobicContact CE-CB 4.41Å; M286-P394 WeakPolarHBondContact CE-O 3.43Å; M286-P394 VanDerWaalsContact SD-CA 3.58Å; M286-P394 HydrophobicContact SD-CB 3.52Å; M286-P394 VanDerWaalsContact SD-CB 3.52Å; H289-P394 WeakPolarHBondContact O-CD 3.29Å; I372-P394 HydrophobicContact CB-CG 3.98Å; I372-P394 HydrophobicContact CG2-CG 3.92Å; T375-P394 PolarHBondContact N-O 3.1Å |
| 395 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 107.7 | -173.5 | -173 | 0 | 0 | 0 | 0 | 110.8 | T285 I344 I348 T375 F377 I391 G393 | T285-V395 WeakPolarHBondContact CG2-O 3.25Å; I344-V395 HydrophobicContact CG2-CG2 4.11Å; I348-V395 HydrophobicContact CD1-CG2 4.07Å; I348-V395 HydrophobicContact CG1-CG2 3.83Å; T375-V395 HydrophobicContact CG2-CG1 4.27Å; T375-V395 WeakPolarHBondContact O-CA 3.4Å; F377-V395 HydrophobicContact CD2-CG1 3.8Å; F377-V395 HydrophobicContact CE2-CG1 4.08Å; I391-V395 HydrophobicContact CD1-CB 4.01Å; I391-V395 HydrophobicContact CD1-CG1 3.92Å; I391-V395 HydrophobicContact CG2-CB 4.26Å; I391-V395 HydrophobicContact CG2-CG2 4.01Å; G393-V395 PolarHBondContact O-N 2.59Å |
| 396 | Q | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132.3 | 173.6 | -74.2 | 171.2 | 91.6 | 0 | 0 | 111 | H282 T285 M286 I299 T375 V376 F377 | H282-Q396 PolarHBondContact ND1-NE2 2.73Å; H282-Q396 VanDerWaalsContact ND1-NE2 3.16Å; T285-Q396 HydrophobicContact CG2-CB 4.41Å; T285-Q396 HydrophobicContact CG2-CG 3.63Å; M286-Q396 HydrophobicContact CE-CG 3.94Å; I299-Q396 HydrophobicContact CD1-CB 4.23Å; I299-Q396 HydrophobicContact CD1-CG 4.1Å; T375-Q396 PolarHBondContact O-N 3.15Å; V376-Q396 HydrophobicContact CG2-CB 4.35Å; F377-Q396 PolarHBondContact N-O 2.66Å |
| 397 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.6 | 173.3 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | T297 I299 V380 I386 L399 | T297-C397 WeakPolarHBondContact O-CB 3.49Å; I299-C397 PolarHBondContact N-O 3.42Å; V380-C397 HydrophobicContact CB-CB 4.46Å; V380-C397 HydrophobicContact CG1-CB 4.27Å; V380-C397 HydrophobicContact CG2-CB 4.04Å; I386-C397 PolarHBondContact O-SG 2.97Å; I386-C397 VanDerWaalsContact O-SG 3.4Å; C397-L399 WeakPolarHBondContact O-CD1 3.49Å |
| 398 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.3 | -177.3 | -47.8 | 167.8 | 0 | 0 | 0 | 109.2 | I299 V301 Y306 V310 L313 V376 F377 D379 V380 | I299-I398 CarbonylContact O-C 3.6Å; I299-I398 WeakPolarHBondContact O-CA 3.47Å; V301-I398 HydrophobicContact CG2-CG2 3.77Å; Y306-I398 HydrophobicContact CD2-CG2 4.42Å; Y306-I398 HydrophobicContact CE2-CG2 3.78Å; V310-I398 HydrophobicContact CB-CD1 4.44Å; V310-I398 HydrophobicContact CG2-CD1 3.94Å; V310-I398 HydrophobicContact CG2-CG2 4.23Å; L313-I398 HydrophobicContact CB-CD1 4.25Å; L313-I398 HydrophobicContact CD1-CD1 3.58Å; L313-I398 HydrophobicContact CD1-CG1 3.91Å; V376-I398 HydrophobicContact CG1-CD1 3.54Å; V376-I398 HydrophobicContact CG1-CG1 4.35Å; F377-I398 PolarHBondContact O-N 3.24Å; D379-I398 PolarHBondContact N-O 3.06Å; V380-I398 PolarHBondContact N-O 3.39Å |
| 399 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.3 | -177.6 | -58.2 | 92.6 | 0 | 0 | 0 | 109.4 | R298 I299 F300 V301 V380 D382 C397 | R298-L399 HydrophobicContact CB-CD1 3.95Å; R298-L399 HydrophobicContact CG-CD1 4.34Å; I299-L399 PolarHBondContact O-N 3.46Å; F300-L399 CarbonylContact C-O 3.59Å; F300-L399 WeakPolarHBondContact CA-O 3.36Å; F300-L399 HydrophobicContact CD1-CB 3.73Å; F300-L399 HydrophobicContact CE1-CB 3.89Å; F300-L399 HydrophobicContact CE1-CD2 3.82Å; F300-L399 HydrophobicContact CE1-CG 4.29Å; F300-L399 HydrophobicContact CG-CB 4.41Å; F300-L399 HydrophobicContact CZ-CD2 4.07Å; V301-L399 PolarHBondContact N-O 3.34Å; V380-L399 HydrophobicContact CB-CG 4.04Å; V380-L399 HydrophobicContact CG1-CD2 4.27Å; V380-L399 HydrophobicContact CG1-CG 4.16Å; D382-L399 WeakPolarHBondContact OD1-CD2 3.49Å; C397-L399 WeakPolarHBondContact O-CD1 3.49Å |
| 400 | K | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 37% | 0.374 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141 | 176.4 | -169.6 | 174.3 | -70.5 | 177.8 | 0 | 110.3 | V301 A303 Y306 R410 | V301-K400 WeakPolarHBondContact O-CA 3.26Å; A303-K400 HydrophobicContact CB-CD 4.21Å; A303-K400 HydrophobicContact CB-CG 4.15Å; Y306-K400 HydrophobicContact CD1-CD 4.5Å; Y306-K400 HydrophobicContact CD2-CB 3.62Å; Y306-K400 HydrophobicContact CD2-CD 4.37Å; Y306-K400 HydrophobicContact CD2-CG 3.83Å; Y306-K400 VanDerWaalsContact CE1-CE 3.45Å; Y306-K400 HydrophobicContact CE2-CB 3.58Å; Y306-K400 HydrophobicContact CE2-CG 4.28Å; Y306-K400 HydrophobicContact CG-CB 4.32Å; Y306-K400 HydrophobicContact CG-CD 4.23Å; Y306-K400 HydrophobicContact CG-CG 4.13Å; K400-R410 PolarHBondContact O-NH1 3.44Å |
| 401 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 165.8 | 170.2 | 76.9 | -86.8 | 0 | 0 | 0 | 111.5 | I267 L269 F300 V301 Q302 A303 T403 V407 | I267-F401 HydrophobicContact CG2-CE1 4.09Å; I267-F401 HydrophobicContact CG2-CZ 3.86Å; L269-F401 HydrophobicContact CD2-CE2 4.06Å; L269-F401 HydrophobicContact CD2-CZ 3.89Å; F300-F401 HydrophobicContact CB-CD1 3.77Å; F300-F401 HydrophobicContact CB-CE1 4.02Å; V301-F401 WeakPolarHBondContact O-CD1 3.38Å; V301-F401 PolarHBondContact O-N 2.91Å; V301-F401 VanDerWaalsContact O-N 3.15Å; Q302-F401 WeakPolarHBondContact CA-O 3.44Å; Q302-F401 HydrophobicContact CB-CE1 3.92Å; Q302-F401 HydrophobicContact CB-CE2 3.98Å; Q302-F401 HydrophobicContact CB-CZ 3.61Å; Q302-F401 HydrophobicContact CG-CD2 4.3Å; Q302-F401 HydrophobicContact CG-CE2 3.82Å; Q302-F401 HydrophobicContact CG-CZ 4Å; A303-F401 PolarHBondContact N-O 2.53Å; F401-T403 WeakPolarHBondContact CD2-O 3.24Å; F401-V407 HydrophobicContact CB-CB 4.2Å; F401-V407 HydrophobicContact CB-CG2 4.36Å; F401-V407 HydrophobicContact CD1-CB 4.27Å; F401-V407 HydrophobicContact CD1-CG2 3.88Å; F401-V407 HydrophobicContact CD2-CB 3.54Å; F401-V407 HydrophobicContact CD2-CG1 3.92Å; F401-V407 HydrophobicContact CD2-CG2 4.08Å; F401-V407 HydrophobicContact CE1-CG2 4.09Å; F401-V407 HydrophobicContact CE2-CB 3.86Å; F401-V407 HydrophobicContact CE2-CG1 3.73Å; F401-V407 HydrophobicContact CE2-CG2 4.29Å; F401-V407 HydrophobicContact CG-CB 3.75Å; F401-V407 HydrophobicContact CG-CG2 3.85Å; F401-V407 HydrophobicContact CZ-CB 4.34Å; F401-V407 HydrophobicContact CZ-CG1 4.21Å; F401-V407 HydrophobicContact CZ-CG2 4.29Å |
| 402 | N | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 52% | 0.519 | 16% | 0.16 | S | C | . | . | trans | -114.1 | -47.8 | -178.6 | -60.6 | -79.8 | 0 | 0 | 0 | 113.2 | Q302 E406 | Q302-N402 PolarHBondContact NE2-O 3.2Å; N402-E406 PolarHBondContact N-OE2 3.46Å | ||
| 403 | T | 98.4 | Very high | 98.7 | Very high | 67 Ų | 67 | 35 Ų | 35 | 41% | 0.411 | 18% | 0.184 | S | C | . | . | trans | -117.2 | 160.8 | -170.8 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | F401 E406 V407 | F401-T403 WeakPolarHBondContact CD2-O 3.24Å; T403-E406 PolarHBondContact N-OE2 3.27Å; T403-E406 WeakPolarHBondContact OG1-CB 3.26Å; T403-E406 PolarHBondContact OG1-N 2.89Å; T403-V407 PolarHBondContact O-N 2.97Å; T403-V407 VanDerWaalsContact O-N 3.17Å | ||
| 404 | L | 97.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 12% | 0.12 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 178.9 | -164.6 | 66.4 | 0 | 0 | 0 | 111.4 | L269 V407 I408 R432 I433 | L269-L404 HydrophobicContact CD2-CD1 4.3Å; L404-V407 WeakPolarHBondContact O-CG1 3.38Å; L404-V407 PolarHBondContact O-N 3.5Å; L404-I408 HydrophobicContact CG-CD1 3.97Å; L404-I408 WeakPolarHBondContact O-CB 3.31Å; L404-I408 WeakPolarHBondContact O-CD1 3.48Å; L404-I408 VanDerWaalsContact O-CG1 3.24Å; L404-I408 WeakPolarHBondContact O-CG1 3.44Å; L404-I408 PolarHBondContact O-N 2.89Å; L404-R432 HydrophobicContact CD2-CB 4.44Å; L404-R432 HydrophobicContact CD2-CG 4.14Å; L404-I433 HydrophobicContact CD1-CD1 3.3Å; L404-I433 HydrophobicContact CD1-CG1 3.31Å; L404-I433 HydrophobicContact CG-CG1 4.11Å |
| 405 | E | 98.3 | Very high | 98.6 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 46% | 0.458 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -46.6 | -179.8 | -66.1 | 69.5 | -154.8 | 0 | 0 | 110.7 | I408 E409 R432 | E405-I408 PolarHBondContact O-N 3.3Å; E405-E409 PolarHBondContact O-N 3.05Å; E405-E409 VanDerWaalsContact O-N 3.12Å; E405-R432 IonicContact OE1-CZ 2.83Å; E405-R432 IonicContact OE1-NH1 2.79Å; E405-R432 PolarHBondContact OE1-NH1 3.18Å; E405-R432 IonicContact OE1-NH2 3.89Å; E405-R432 PolarHBondContact OE1-NH2 3.05Å |
| 406 | E | 98.5 | Very high | 98.6 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | 176.4 | -178.7 | -153.3 | 150.9 | 0 | 0 | 111.6 | N402 T403 I408 E409 R410 | N402-E406 PolarHBondContact N-OE2 3.46Å; T403-E406 PolarHBondContact N-OE2 3.27Å; T403-E406 WeakPolarHBondContact OG1-CB 3.26Å; T403-E406 PolarHBondContact OG1-N 2.89Å; E406-I408 VanDerWaalsContact C-N 3.33Å; E406-I408 PolarHBondContact O-N 3.3Å; E406-E409 PolarHBondContact O-N 3.29Å; E406-R410 WeakPolarHBondContact O-CB 3.3Å; E406-R410 VanDerWaalsContact O-CG 3.25Å; E406-R410 WeakPolarHBondContact O-CG 3.35Å; E406-R410 PolarHBondContact O-N 3.26Å; E406-R410 IonicContact OE1-CZ 2.7Å; E406-R410 IonicContact OE1-NH1 2.56Å; E406-R410 PolarHBondContact OE1-NH1 3.27Å |
| 407 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -31.5 | -175.5 | 73.4 | 0 | 0 | 0 | 0 | 112.3 | I267 F300 F401 T403 L404 A411 | I267-V407 HydrophobicContact CD1-CG1 4.35Å; I267-V407 HydrophobicContact CD1-CG2 3.99Å; I267-V407 HydrophobicContact CG1-CG2 3.82Å; I267-V407 HydrophobicContact CG2-CG1 4.08Å; I267-V407 HydrophobicContact CG2-CG2 3.98Å; F300-V407 HydrophobicContact CB-CG2 3.68Å; F300-V407 HydrophobicContact CD1-CG2 4Å; F300-V407 HydrophobicContact CD2-CG2 4.44Å; F300-V407 HydrophobicContact CG-CG2 3.8Å; F401-V407 HydrophobicContact CB-CB 4.2Å; F401-V407 HydrophobicContact CB-CG2 4.36Å; F401-V407 HydrophobicContact CD1-CB 4.27Å; F401-V407 HydrophobicContact CD1-CG2 3.88Å; F401-V407 HydrophobicContact CD2-CB 3.54Å; F401-V407 HydrophobicContact CD2-CG1 3.92Å; F401-V407 HydrophobicContact CD2-CG2 4.08Å; F401-V407 HydrophobicContact CE1-CG2 4.09Å; F401-V407 HydrophobicContact CE2-CB 3.86Å; F401-V407 HydrophobicContact CE2-CG1 3.73Å; F401-V407 HydrophobicContact CE2-CG2 4.29Å; F401-V407 HydrophobicContact CG-CB 3.75Å; F401-V407 HydrophobicContact CG-CG2 3.85Å; F401-V407 HydrophobicContact CZ-CB 4.34Å; F401-V407 HydrophobicContact CZ-CG1 4.21Å; F401-V407 HydrophobicContact CZ-CG2 4.29Å; T403-V407 PolarHBondContact O-N 2.97Å; T403-V407 VanDerWaalsContact O-N 3.17Å; L404-V407 WeakPolarHBondContact O-CG1 3.38Å; L404-V407 PolarHBondContact O-N 3.5Å; V407-A411 WeakPolarHBondContact O-CB 3.1Å; V407-A411 PolarHBondContact O-N 3.47Å |
| 408 | I | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 173.9 | -73.2 | 167 | 0 | 0 | 0 | 110.2 | L404 E405 E406 R410 A411 N412 I433 C436 | L404-I408 HydrophobicContact CG-CD1 3.97Å; L404-I408 WeakPolarHBondContact O-CB 3.31Å; L404-I408 WeakPolarHBondContact O-CD1 3.48Å; L404-I408 VanDerWaalsContact O-CG1 3.24Å; L404-I408 WeakPolarHBondContact O-CG1 3.44Å; L404-I408 PolarHBondContact O-N 2.89Å; E405-I408 PolarHBondContact O-N 3.3Å; E406-I408 VanDerWaalsContact C-N 3.33Å; E406-I408 PolarHBondContact O-N 3.3Å; I408-R410 PolarHBondContact O-N 3.06Å; I408-A411 PolarHBondContact O-N 3.5Å; I408-N412 PolarHBondContact O-N 2.76Å; I408-N412 VanDerWaalsContact O-N 3.08Å; I408-I433 HydrophobicContact CD1-CG1 4.32Å; I408-I433 HydrophobicContact CG1-CG1 4.36Å; I408-C436 HydrophobicContact CD1-CB 3.99Å; I408-C436 HydrophobicContact CG1-CB 4.32Å; I408-C436 HydrophobicContact CG2-CB 3.59Å |
| 409 | E | 98.7 | Very high | 98.5 | Very high | 146 Ų | 146 | 45.9 Ų | 45.9 | 68% | 0.682 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.2 | -49.5 | 177.7 | -176 | 177.3 | -179 | 0 | 0 | 111 | E405 E406 A411 N412 A413 | E405-E409 PolarHBondContact O-N 3.05Å; E405-E409 VanDerWaalsContact O-N 3.12Å; E406-E409 PolarHBondContact O-N 3.29Å; E409-A411 PolarHBondContact O-N 3.33Å; E409-N412 CarbonylContact O-C 3.48Å; E409-N412 PolarHBondContact O-N 3.3Å; E409-A413 WeakPolarHBondContact O-CB 3.32Å; E409-A413 PolarHBondContact O-N 2.89Å |
| 410 | R | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | -179.8 | -65.4 | 171.8 | 65.9 | -164.5 | -5.1 | 112.8 | R298 F300 D382 K400 E406 I408 N412 A413 | R298-R410 PolarHBondContact NH1-O 3.3Å; F300-R410 HydrophobicContact CE1-CB 4.02Å; F300-R410 HydrophobicContact CZ-CB 4.22Å; D382-R410 IonicContact OD1-CZ 2.71Å; D382-R410 IonicContact OD1-NE 2.83Å; D382-R410 PolarHBondContact OD1-NE 2.86Å; D382-R410 IonicContact OD1-NH2 3.37Å; D382-R410 PolarHBondContact OD1-NH2 3.02Å; D382-R410 IonicContact OD2-CZ 2.66Å; D382-R410 IonicContact OD2-NE 2.59Å; D382-R410 PolarHBondContact OD2-NE 3.3Å; D382-R410 IonicContact OD2-NH2 3.67Å; D382-R410 PolarHBondContact OD2-NH2 2.61Å; K400-R410 PolarHBondContact O-NH1 3.44Å; E406-R410 WeakPolarHBondContact O-CB 3.3Å; E406-R410 VanDerWaalsContact O-CG 3.25Å; E406-R410 WeakPolarHBondContact O-CG 3.35Å; E406-R410 PolarHBondContact O-N 3.26Å; E406-R410 IonicContact OE1-CZ 2.7Å; E406-R410 IonicContact OE1-NH1 2.56Å; E406-R410 PolarHBondContact OE1-NH1 3.27Å; I408-R410 PolarHBondContact O-N 3.06Å; R410-N412 VanDerWaalsContact C-N 3.29Å; R410-N412 PolarHBondContact O-N 2.84Å; R410-A413 PolarHBondContact O-N 2.85Å |
| 411 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | P265 I267 R298 V407 I408 E409 V437 | P265-A411 HydrophobicContact CB-CB 3.95Å; P265-A411 HydrophobicContact CG-CB 3.87Å; I267-A411 HydrophobicContact CD1-CB 4.17Å; R298-A411 PolarHBondContact NH2-O 2.65Å; V407-A411 WeakPolarHBondContact O-CB 3.1Å; V407-A411 PolarHBondContact O-N 3.47Å; I408-A411 PolarHBondContact O-N 3.5Å; E409-A411 PolarHBondContact O-N 3.33Å; A411-V437 HydrophobicContact CB-CG1 4.46Å; A411-V437 HydrophobicContact CB-CG2 4.13Å |
| 412 | N | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -83.1 | -16.2 | -180 | -72.6 | -18 | 0 | 0 | 0 | 114.6 | I408 E409 R410 T414 C436 V437 E438 K460 | I408-N412 PolarHBondContact O-N 2.76Å; I408-N412 VanDerWaalsContact O-N 3.08Å; E409-N412 CarbonylContact O-C 3.48Å; E409-N412 PolarHBondContact O-N 3.3Å; R410-N412 VanDerWaalsContact C-N 3.29Å; R410-N412 PolarHBondContact O-N 2.84Å; N412-T414 PolarHBondContact O-N 2.88Å; N412-C436 PolarHBondContact ND2-O 3.47Å; N412-V437 WeakPolarHBondContact OD1-CA 3.44Å; N412-E438 PolarHBondContact OD1-N 3.31Å; N412-K460 PolarHBondContact O-NZ 3.45Å |
| 413 | A | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 62% | 0.62 | 20% | 0.195 | S | C | * | . | trans | -70.9 | 59.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E409 R410 | E409-A413 WeakPolarHBondContact O-CB 3.32Å; E409-A413 PolarHBondContact O-N 2.89Å; R410-A413 PolarHBondContact O-N 2.85Å | ||
| 414 | T | 98.3 | Very high | 98.6 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -154 | 153.7 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | N412 Y416 K460 | N412-T414 PolarHBondContact O-N 2.88Å; T414-Y416 VanDerWaalsContact C-N 3.26Å; T414-Y416 WeakPolarHBondContact CG2-O 3.43Å; T414-Y416 PolarHBondContact OG1-N 3.44Å; T414-K460 WeakPolarHBondContact O-CD 3.32Å; T414-K460 PolarHBondContact O-NZ 3.28Å |
| 415 | H | 97.9 | Very high | 98.6 | Very high | 146 Ų | 146 | 37.7 Ų | 37.7 | 68% | 0.676 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -78.5 | -12.5 | 171.6 | -59.8 | -56.2 | 0 | 0 | 0 | 112.8 | K460 M461 | H415-K460 WeakPolarHBondContact O-CB 3.43Å; H415-M461 HydrophobicContact CB-CG 4.37Å; H415-M461 HydrophobicContact CB-SD 3.86Å; H415-M461 WeakPolarHBondContact O-CB 3.45Å; H415-M461 PolarHBondContact O-N 2.94Å |
| 416 | Y | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 18% | 0.18 | 19% | 0.194 | C | C | . | . | trans | -85.5 | 166.6 | 175.4 | -65.2 | -65.9 | 0 | 0 | 0 | 112.4 | T239 G261 K263 T414 K460 S462 | T239-Y416 WeakPolarHBondContact OG1-CE1 3.17Å; G261-Y416 WeakPolarHBondContact O-CD1 3.16Å; K263-Y416 HydrophobicContact CB-CD2 3.53Å; K263-Y416 HydrophobicContact CB-CE2 4.14Å; K263-Y416 HydrophobicContact CB-CG 4.26Å; T414-Y416 VanDerWaalsContact C-N 3.26Å; T414-Y416 WeakPolarHBondContact CG2-O 3.43Å; T414-Y416 PolarHBondContact OG1-N 3.44Å; Y416-K460 WeakPolarHBondContact O-CD 3.4Å; Y416-S462 WeakPolarHBondContact CA-OG 3.32Å; Y416-S462 WeakPolarHBondContact CB-OG 3.19Å; Y416-S462 WeakPolarHBondContact CD1-OG 3.19Å | ||
| 417 | G | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | trans | -171.1 | 41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A439 G440 Y459 S462 | G417-A439 WeakPolarHBondContact O-CA 3.41Å; G417-G440 PolarHBondContact O-N 2.85Å; G417-Y459 WeakPolarHBondContact O-CB 3.48Å; G417-Y459 PolarHBondContact O-N 3.28Å; G417-S462 PolarHBondContact N-OG 2.9Å | ||
| 418 | L | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -76.5 | -58.3 | -175.9 | -168.9 | 58 | 0 | 0 | 0 | 112.5 | C293 V294 G440 S441 F456 S462 | C293-L418 HydrophobicContact CB-CD2 3.59Å; C293-L418 WeakPolarHBondContact O-CD2 3.21Å; V294-L418 HydrophobicContact CB-CD2 3.93Å; V294-L418 HydrophobicContact CB-CG 4.22Å; V294-L418 HydrophobicContact CG2-CB 4.48Å; V294-L418 HydrophobicContact CG2-CD2 4.35Å; V294-L418 HydrophobicContact CG2-CG 4.1Å; L418-G440 WeakPolarHBondContact O-CA 3.46Å; L418-G440 PolarHBondContact O-N 3.04Å; L418-G440 VanDerWaalsContact O-N 3.13Å; L418-S441 PolarHBondContact O-N 3.41Å; L418-S441 VanDerWaalsContact O-N 3.11Å; L418-F456 HydrophobicContact CD1-CE1 3.72Å; L418-F456 HydrophobicContact CD1-CZ 3.82Å; L418-F456 HydrophobicContact CD2-CE1 4.27Å; L418-F456 HydrophobicContact CD2-CZ 3.92Å; L418-F456 HydrophobicContact CG-CE1 4.2Å; L418-F456 HydrophobicContact CG-CZ 3.8Å; L418-S462 PolarHBondContact N-OG 2.98Å |
| 419 | G | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 167.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S264 P265 S441 | S264-G419 WeakPolarHBondContact CA-O 3.36Å; S264-G419 WeakPolarHBondContact CB-O 3.49Å; S264-G419 PolarHBondContact OG-N 3.03Å; S264-G419 PolarHBondContact OG-O 3.44Å; P265-G419 WeakPolarHBondContact CD-O 3.36Å; G419-S441 CarbonylContact C-O 3.54Å; G419-S441 WeakPolarHBondContact CA-O 3.28Å |
| 420 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P265 V437 A439 S441 F442 W443 | P265-A420 HydrophobicContact CG-CB 3.81Å; P265-A420 CarbonylContact O-C 3.55Å; P265-A420 WeakPolarHBondContact O-CA 3.4Å; A420-V437 HydrophobicContact CB-CG1 3.59Å; A420-A439 HydrophobicContact CB-CB 3.66Å; A420-S441 PolarHBondContact N-O 3.1Å; A420-F442 HydrophobicContact CB-CD2 3.7Å; A420-F442 HydrophobicContact CB-CE2 3.84Å; A420-F442 CarbonylContact O-C 3.6Å; A420-F442 VanDerWaalsContact O-CA 3.32Å; A420-F442 WeakPolarHBondContact O-CA 3.49Å; A420-W443 PolarHBondContact O-N 3.18Å |
| 421 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 165.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P265 I267 W443 | P265-G421 PolarHBondContact O-N 2.8Å; I267-G421 PolarHBondContact N-O 3.12Å; G421-W443 CarbonylContact C-O 3.47Å; G421-W443 WeakPolarHBondContact CA-O 3.34Å |
| 422 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.9 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | I267 L269 T424 A430 I433 F442 W443 I444 N445 | I267-V422 HydrophobicContact CB-CG2 4.4Å; I267-V422 HydrophobicContact CG2-CG2 4.37Å; I267-V422 CarbonylContact O-C 3.51Å; I267-V422 VanDerWaalsContact O-CA 3.23Å; I267-V422 WeakPolarHBondContact O-CA 3.36Å; L269-V422 HydrophobicContact CD1-CG2 4.02Å; V422-T424 HydrophobicContact CG2-CG2 4.04Å; V422-A430 HydrophobicContact CG1-CB 4.35Å; V422-I433 HydrophobicContact CB-CD1 4.22Å; V422-I433 HydrophobicContact CB-CG2 4.44Å; V422-I433 HydrophobicContact CG2-CD1 3.42Å; V422-I433 VanDerWaalsContact CG2-CD1 3.42Å; V422-F442 HydrophobicContact CB-CE1 4.22Å; V422-F442 HydrophobicContact CB-CZ 4Å; V422-F442 HydrophobicContact CG1-CE1 3.63Å; V422-F442 HydrophobicContact CG1-CZ 3.9Å; V422-W443 PolarHBondContact N-O 3.41Å; V422-I444 HydrophobicContact CG1-CB 4.39Å; V422-I444 HydrophobicContact CG1-CG1 3.97Å; V422-I444 HydrophobicContact CG1-CG2 4.3Å; V422-N445 PolarHBondContact O-N 3.01Å |
| 423 | F | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.3 | 165.5 | -80.9 | -96.5 | 0 | 0 | 0 | 110.1 | L266 I267 I268 L269 A272 K276 A277 V280 N445 | L266-F423 HydrophobicContact CD1-CD2 3.81Å; L266-F423 HydrophobicContact CD1-CE2 3.89Å; I267-F423 PolarHBondContact O-N 2.91Å; I268-F423 HydrophobicContact CG2-CB 4.22Å; L269-F423 WeakPolarHBondContact CB-O 3.43Å; L269-F423 PolarHBondContact N-O 2.92Å; A272-F423 HydrophobicContact CB-CB 3.85Å; K276-F423 HydrophobicContact CG-CE1 4.18Å; A277-F423 HydrophobicContact CB-CB 3.95Å; A277-F423 HydrophobicContact CB-CD1 3.61Å; A277-F423 HydrophobicContact CB-CD2 4.45Å; A277-F423 HydrophobicContact CB-CE1 4.26Å; A277-F423 HydrophobicContact CB-CG 3.73Å; V280-F423 HydrophobicContact CB-CE1 4.29Å; V280-F423 HydrophobicContact CB-CE2 4.15Å; V280-F423 HydrophobicContact CB-CZ 3.51Å; V280-F423 HydrophobicContact CG1-CE2 3.89Å; V280-F423 HydrophobicContact CG1-CZ 3.52Å; V280-F423 HydrophobicContact CG2-CE1 4.35Å; V280-F423 HydrophobicContact CG2-CZ 3.89Å; F423-N445 VanDerWaalsContact CA-OD1 3.29Å; F423-N445 WeakPolarHBondContact CA-OD1 3.15Å; F423-N445 HydrophobicContact CD1-CB 4.49Å; F423-N445 VanDerWaalsContact CE1-C 3.5Å; F423-N445 HydrophobicContact CE1-CB 4.5Å |
| 424 | T | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | trans | -167.3 | 152.2 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | L269 D271 V422 D426 A430 N445 | L269-T424 VanDerWaalsContact CD1-CB 3.49Å; L269-T424 HydrophobicContact CD1-CG2 3.97Å; D271-T424 VanDerWaalsContact CG-OG1 3.23Å; D271-T424 WeakPolarHBondContact OD1-CA 2.79Å; D271-T424 WeakPolarHBondContact OD1-CB 3.07Å; D271-T424 PolarHBondContact OD1-OG1 2.96Å; D271-T424 PolarHBondContact OD2-OG1 3.09Å; V422-T424 HydrophobicContact CG2-CG2 4.04Å; T424-D426 WeakPolarHBondContact CG2-O 3.27Å; T424-D426 PolarHBondContact OG1-N 2.84Å; T424-D426 VanDerWaalsContact OG1-N 3.08Å; T424-A430 HydrophobicContact CG2-CB 3.68Å; T424-N445 PolarHBondContact N-OD1 3Å; T424-N445 PolarHBondContact O-ND2 3.35Å; T424-N445 PolarHBondContact O-OD1 3.14Å; T424-N445 VanDerWaalsContact O-OD1 3.08Å | ||
| 425 | S | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -89.3 | -4.7 | 169.4 | 52 | 0 | 0 | 0 | 0 | 113.3 | D271 | D271-S425 WeakPolarHBondContact O-CB 3.3Å; D271-S425 PolarHBondContact O-OG 3.48Å |
| 426 | D | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | trans | -99.1 | 117.2 | -178.1 | -172.4 | -42.8 | 0 | 0 | 0 | 111.5 | T424 D428 K429 A430 | T424-D426 WeakPolarHBondContact CG2-O 3.27Å; T424-D426 PolarHBondContact OG1-N 2.84Å; T424-D426 VanDerWaalsContact OG1-N 3.08Å; D426-D428 WeakPolarHBondContact OD1-CB 3.25Å; D426-D428 PolarHBondContact OD1-N 3.01Å; D426-K429 HydrophobicContact CB-CB 4.12Å; D426-K429 HydrophobicContact CB-CD 3.84Å; D426-K429 HydrophobicContact CB-CG 4Å; D426-K429 PolarHBondContact OD1-N 3.06Å; D426-K429 VanDerWaalsContact OD1-N 3.13Å; D426-K429 VanDerWaalsContact OD2-CE 3.24Å; D426-K429 WeakPolarHBondContact OD2-CE 3.48Å; D426-K429 IonicContact OD2-NZ 3.98Å; D426-A430 WeakPolarHBondContact O-CB 3.36Å; D426-A430 PolarHBondContact O-N 3.45Å | ||
| 427 | M | 98 | Very high | 98.5 | Very high | 155 Ų | 155 | 45 Ų | 45 | 76% | 0.764 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68.8 | -33.5 | -177.4 | -172.7 | 175 | 67.2 | 0 | 0 | 113.3 | A430 M431 | M427-A430 PolarHBondContact O-N 3.13Å; M427-M431 HydrophobicContact CG-CG 4.43Å; M427-M431 WeakPolarHBondContact O-CB 3.39Å; M427-M431 WeakPolarHBondContact O-CG 3.34Å; M427-M431 PolarHBondContact O-N 2.93Å |
| 428 | D | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 49 Ų | 49 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.3 | -47 | 178.4 | -177.6 | 66.5 | 0 | 0 | 0 | 109.8 | D426 A430 M431 R432 | D426-D428 WeakPolarHBondContact OD1-CB 3.25Å; D426-D428 PolarHBondContact OD1-N 3.01Å; D428-A430 PolarHBondContact O-N 2.78Å; D428-M431 PolarHBondContact O-N 3.04Å; D428-R432 WeakPolarHBondContact O-CB 3.39Å; D428-R432 PolarHBondContact O-N 2.82Å |
| 429 | K | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.8 | -62.9 | 179.5 | -158.5 | 156 | 0 | 111.8 | L269 D271 D426 M431 R432 I433 | L269-K429 HydrophobicContact CD1-CB 3.89Å; L269-K429 HydrophobicContact CD1-CD 3.96Å; D271-K429 IonicContact OD2-NZ 2.79Å; D271-K429 PolarHBondContact OD2-NZ 3.15Å; D426-K429 HydrophobicContact CB-CB 4.12Å; D426-K429 HydrophobicContact CB-CD 3.84Å; D426-K429 HydrophobicContact CB-CG 4Å; D426-K429 PolarHBondContact OD1-N 3.06Å; D426-K429 VanDerWaalsContact OD1-N 3.13Å; D426-K429 VanDerWaalsContact OD2-CE 3.24Å; D426-K429 WeakPolarHBondContact OD2-CE 3.48Å; D426-K429 IonicContact OD2-NZ 3.98Å; K429-M431 PolarHBondContact O-N 2.97Å; K429-R432 PolarHBondContact O-N 3.41Å; K429-I433 VanDerWaalsContact O-CG1 3.32Å; K429-I433 WeakPolarHBondContact O-CG1 3.37Å; K429-I433 PolarHBondContact O-N 3.39Å |
| 430 | A | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V422 T424 D426 M427 D428 A434 I444 | V422-A430 HydrophobicContact CG1-CB 4.35Å; T424-A430 HydrophobicContact CG2-CB 3.68Å; D426-A430 WeakPolarHBondContact O-CB 3.36Å; D426-A430 PolarHBondContact O-N 3.45Å; M427-A430 PolarHBondContact O-N 3.13Å; D428-A430 PolarHBondContact O-N 2.78Å; A430-A434 VanDerWaalsContact O-CB 3.26Å; A430-A434 WeakPolarHBondContact O-CB 3.47Å; A430-A434 PolarHBondContact O-N 3.45Å; A430-I444 HydrophobicContact CB-CD1 4.24Å; A430-I444 HydrophobicContact CB-CG2 3.93Å |
| 431 | M | 98.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 51.3 Ų | 51.3 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -178.7 | -69.3 | -55.3 | -60.5 | 0 | 0 | 112.3 | M427 D428 K429 A434 Q435 I444 | M427-M431 HydrophobicContact CG-CG 4.43Å; M427-M431 WeakPolarHBondContact O-CB 3.39Å; M427-M431 WeakPolarHBondContact O-CG 3.34Å; M427-M431 PolarHBondContact O-N 2.93Å; D428-M431 PolarHBondContact O-N 3.04Å; K429-M431 PolarHBondContact O-N 2.97Å; M431-A434 PolarHBondContact O-N 3.19Å; M431-Q435 WeakPolarHBondContact O-CB 3.49Å; M431-Q435 VanDerWaalsContact O-CG 3.3Å; M431-Q435 WeakPolarHBondContact O-CG 3.47Å; M431-Q435 PolarHBondContact O-N 2.97Å; M431-I444 HydrophobicContact SD-CD1 4.14Å |
| 432 | R | 98.2 | Very high | 98.4 | Very high | 104 Ų | 104 | 53.6 Ų | 53.6 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 176.5 | -175.2 | 170.1 | 176.2 | -150.1 | -6.8 | 111.5 | L404 E405 D428 K429 Q435 C436 | L404-R432 HydrophobicContact CD2-CB 4.44Å; L404-R432 HydrophobicContact CD2-CG 4.14Å; E405-R432 IonicContact OE1-CZ 2.83Å; E405-R432 IonicContact OE1-NH1 2.79Å; E405-R432 PolarHBondContact OE1-NH1 3.18Å; E405-R432 IonicContact OE1-NH2 3.89Å; E405-R432 PolarHBondContact OE1-NH2 3.05Å; D428-R432 WeakPolarHBondContact O-CB 3.39Å; D428-R432 PolarHBondContact O-N 2.82Å; K429-R432 PolarHBondContact O-N 3.41Å; R432-Q435 PolarHBondContact O-N 3.49Å; R432-C436 WeakPolarHBondContact O-CB 3.3Å; R432-C436 PolarHBondContact O-N 3.21Å; R432-C436 PolarHBondContact O-SG 3.45Å |
| 433 | I | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 175.6 | -63.1 | 163.5 | 0 | 0 | 0 | 110.3 | I267 L269 L404 I408 V422 K429 Q435 C436 V437 F442 | I267-I433 HydrophobicContact CD1-CG2 3.67Å; I267-I433 HydrophobicContact CG2-CD1 4.32Å; L269-I433 HydrophobicContact CD1-CD1 3.77Å; L404-I433 HydrophobicContact CD1-CD1 3.3Å; L404-I433 HydrophobicContact CD1-CG1 3.31Å; L404-I433 HydrophobicContact CG-CG1 4.11Å; I408-I433 HydrophobicContact CD1-CG1 4.32Å; I408-I433 HydrophobicContact CG1-CG1 4.36Å; V422-I433 HydrophobicContact CB-CD1 4.22Å; V422-I433 HydrophobicContact CB-CG2 4.44Å; V422-I433 HydrophobicContact CG2-CD1 3.42Å; V422-I433 VanDerWaalsContact CG2-CD1 3.42Å; K429-I433 VanDerWaalsContact O-CG1 3.32Å; K429-I433 WeakPolarHBondContact O-CG1 3.37Å; K429-I433 PolarHBondContact O-N 3.39Å; I433-Q435 PolarHBondContact O-N 3.02Å; I433-C436 PolarHBondContact O-N 3.17Å; I433-V437 HydrophobicContact CG2-CG2 3.59Å; I433-V437 WeakPolarHBondContact O-CG2 3.34Å; I433-V437 PolarHBondContact O-N 3.11Å; I433-F442 HydrophobicContact CB-CZ 4.32Å; I433-F442 HydrophobicContact CG2-CE2 4.01Å; I433-F442 HydrophobicContact CG2-CZ 3.63Å |
| 434 | A | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -35.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A430 M431 F442 I444 | A430-A434 VanDerWaalsContact O-CB 3.26Å; A430-A434 WeakPolarHBondContact O-CB 3.47Å; A430-A434 PolarHBondContact O-N 3.45Å; M431-A434 PolarHBondContact O-N 3.19Å; A434-F442 HydrophobicContact CB-CD1 3.44Å; A434-F442 VanDerWaalsContact CB-CD1 3.44Å; A434-F442 HydrophobicContact CB-CE1 3.43Å; A434-F442 VanDerWaalsContact CB-CE1 3.43Å; A434-F442 HydrophobicContact CB-CG 4.05Å; A434-F442 HydrophobicContact CB-CZ 4.05Å; A434-I444 HydrophobicContact CB-CD1 4.36Å |
| 435 | Q | 98.2 | Very high | 98.4 | Very high | 153 Ų | 153 | 60.7 Ų | 60.7 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.8 | -32.7 | 176.1 | -72.8 | 178 | 17.5 | 0 | 0 | 113.3 | M431 R432 I433 | M431-Q435 WeakPolarHBondContact O-CB 3.49Å; M431-Q435 VanDerWaalsContact O-CG 3.3Å; M431-Q435 WeakPolarHBondContact O-CG 3.47Å; M431-Q435 PolarHBondContact O-N 2.97Å; R432-Q435 PolarHBondContact O-N 3.49Å; I433-Q435 PolarHBondContact O-N 3.02Å |
| 436 | C | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.1 | -28.1 | -173.8 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | I408 N412 R432 I433 | I408-C436 HydrophobicContact CD1-CB 3.99Å; I408-C436 HydrophobicContact CG1-CB 4.32Å; I408-C436 HydrophobicContact CG2-CB 3.59Å; N412-C436 PolarHBondContact ND2-O 3.47Å; R432-C436 WeakPolarHBondContact O-CB 3.3Å; R432-C436 PolarHBondContact O-N 3.21Å; R432-C436 PolarHBondContact O-SG 3.45Å; I433-C436 PolarHBondContact O-N 3.17Å |
| 437 | V | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -79 | 124.7 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | P265 I267 A411 N412 A420 I433 A439 F442 | P265-V437 HydrophobicContact CG-CG1 4.31Å; I267-V437 HydrophobicContact CD1-CG2 4.25Å; A411-V437 HydrophobicContact CB-CG1 4.46Å; A411-V437 HydrophobicContact CB-CG2 4.13Å; N412-V437 WeakPolarHBondContact OD1-CA 3.44Å; A420-V437 HydrophobicContact CB-CG1 3.59Å; I433-V437 HydrophobicContact CG2-CG2 3.59Å; I433-V437 WeakPolarHBondContact O-CG2 3.34Å; I433-V437 PolarHBondContact O-N 3.11Å; V437-A439 HydrophobicContact CG1-CB 4.42Å; V437-A439 PolarHBondContact O-N 3.1Å; V437-A439 VanDerWaalsContact O-N 3.08Å; V437-F442 HydrophobicContact CB-CD2 4.13Å; V437-F442 HydrophobicContact CB-CE2 3.73Å; V437-F442 HydrophobicContact CG1-CD2 4.29Å; V437-F442 HydrophobicContact CG1-CE2 4.05Å; V437-F442 HydrophobicContact CG2-CE2 4.14Å |
| 438 | E | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | trans | -83.7 | 81.6 | -175.5 | -62.2 | 175.9 | 139.5 | 0 | 0 | 110.9 | N412 Y459 K460 | N412-E438 PolarHBondContact OD1-N 3.31Å; E438-Y459 HydrophobicContact CB-CD2 4.23Å; E438-K460 WeakPolarHBondContact OE2-CE 3.32Å; E438-K460 IonicContact OE2-NZ 3.83Å; E438-K460 PolarHBondContact OE2-NZ 2.9Å | ||
| 439 | A | 98.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | trans | -135.2 | 150.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G417 A420 V437 Y459 | G417-A439 WeakPolarHBondContact O-CA 3.41Å; A420-A439 HydrophobicContact CB-CB 3.66Å; V437-A439 HydrophobicContact CG1-CB 4.42Å; V437-A439 PolarHBondContact O-N 3.1Å; V437-A439 VanDerWaalsContact O-N 3.08Å; A439-Y459 VanDerWaalsContact C-CD1 3.49Å; A439-Y459 VanDerWaalsContact O-CE1 3.3Å; A439-Y459 WeakPolarHBondContact O-CE1 3.49Å | ||
| 440 | G | 97.9 | Very high | 98 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -63.9 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G417 L418 G457 | G417-G440 PolarHBondContact O-N 2.85Å; L418-G440 WeakPolarHBondContact O-CA 3.46Å; L418-G440 PolarHBondContact O-N 3.04Å; L418-G440 VanDerWaalsContact O-N 3.13Å; G440-G457 WeakPolarHBondContact CA-O 3.43Å |
| 441 | S | 97.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | L418 G419 A420 | L418-S441 PolarHBondContact O-N 3.41Å; L418-S441 VanDerWaalsContact O-N 3.11Å; G419-S441 CarbonylContact C-O 3.54Å; G419-S441 WeakPolarHBondContact CA-O 3.28Å; A420-S441 PolarHBondContact N-O 3.1Å |
| 442 | F | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.7 | -179.9 | -165.1 | -79.1 | 0 | 0 | 0 | 110.2 | A420 V422 I433 A434 V437 I444 | A420-F442 HydrophobicContact CB-CD2 3.7Å; A420-F442 HydrophobicContact CB-CE2 3.84Å; A420-F442 CarbonylContact O-C 3.6Å; A420-F442 VanDerWaalsContact O-CA 3.32Å; A420-F442 WeakPolarHBondContact O-CA 3.49Å; V422-F442 HydrophobicContact CB-CE1 4.22Å; V422-F442 HydrophobicContact CB-CZ 4Å; V422-F442 HydrophobicContact CG1-CE1 3.63Å; V422-F442 HydrophobicContact CG1-CZ 3.9Å; I433-F442 HydrophobicContact CB-CZ 4.32Å; I433-F442 HydrophobicContact CG2-CE2 4.01Å; I433-F442 HydrophobicContact CG2-CZ 3.63Å; A434-F442 HydrophobicContact CB-CD1 3.44Å; A434-F442 VanDerWaalsContact CB-CD1 3.44Å; A434-F442 HydrophobicContact CB-CE1 3.43Å; A434-F442 VanDerWaalsContact CB-CE1 3.43Å; A434-F442 HydrophobicContact CB-CG 4.05Å; A434-F442 HydrophobicContact CB-CZ 4.05Å; V437-F442 HydrophobicContact CB-CD2 4.13Å; V437-F442 HydrophobicContact CB-CE2 3.73Å; V437-F442 HydrophobicContact CG1-CD2 4.29Å; V437-F442 HydrophobicContact CG1-CE2 4.05Å; V437-F442 HydrophobicContact CG2-CE2 4.14Å; F442-I444 HydrophobicContact CD1-CG1 4.14Å; F442-I444 HydrophobicContact CE1-CG1 3.96Å |
| 443 | W | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 8% | 0.076 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.8 | -179.4 | -59.4 | -79.4 | 0 | 0 | 0 | 112 | V294 A420 G421 V422 S446 Y447 F449 | V294-W443 HydrophobicContact CB-CH2 4.39Å; V294-W443 HydrophobicContact CG1-CH2 4.14Å; V294-W443 HydrophobicContact CG2-CH2 3.43Å; V294-W443 VanDerWaalsContact CG2-CH2 3.43Å; V294-W443 HydrophobicContact CG2-CZ3 3.72Å; A420-W443 PolarHBondContact O-N 3.18Å; G421-W443 CarbonylContact C-O 3.47Å; G421-W443 WeakPolarHBondContact CA-O 3.34Å; V422-W443 PolarHBondContact N-O 3.41Å; W443-S446 WeakPolarHBondContact CB-O 3.42Å; W443-Y447 HydrophobicContact CE3-CD1 4.31Å; W443-Y447 AromaticContact CE3-CD2 3.75Å; W443-Y447 HydrophobicContact CE3-CD2 3.75Å; W443-Y447 HydrophobicContact CE3-CE1 4.28Å; W443-Y447 AromaticContact CE3-CE2 3.75Å; W443-Y447 HydrophobicContact CE3-CE2 3.75Å; W443-Y447 HydrophobicContact CE3-CG 4.05Å; W443-Y447 HydrophobicContact CZ3-CD1 4.33Å; W443-Y447 HydrophobicContact CZ3-CD2 4.33Å; W443-Y447 AromaticContact CZ3-CE1 3.94Å; W443-Y447 HydrophobicContact CZ3-CE1 3.94Å; W443-Y447 AromaticContact CZ3-CE2 3.98Å; W443-Y447 HydrophobicContact CZ3-CE2 3.98Å; W443-Y447 AromaticContact CZ3-CZ 3.76Å; W443-F449 PolarHBondContact NE1-O 2.76Å |
| 444 | I | 98.6 | Very high | 97.8 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 32% | 0.323 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.7 | 174.1 | -60.7 | 169.3 | 0 | 0 | 0 | 107.9 | V422 A430 M431 A434 F442 S446 | V422-I444 HydrophobicContact CG1-CB 4.39Å; V422-I444 HydrophobicContact CG1-CG1 3.97Å; V422-I444 HydrophobicContact CG1-CG2 4.3Å; A430-I444 HydrophobicContact CB-CD1 4.24Å; A430-I444 HydrophobicContact CB-CG2 3.93Å; M431-I444 HydrophobicContact SD-CD1 4.14Å; A434-I444 HydrophobicContact CB-CD1 4.36Å; F442-I444 HydrophobicContact CD1-CG1 4.14Å; F442-I444 HydrophobicContact CE1-CG1 3.96Å; I444-S446 PolarHBondContact O-N 3.27Å; I444-S446 PolarHBondContact O-OG 3.19Å; I444-S446 VanDerWaalsContact O-OG 3.04Å |
| 445 | N | 98.4 | Very high | 97.8 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 51.6 | 27.3 | -179.6 | -64.7 | -35.3 | 0 | 0 | 0 | 114.5 | V422 F423 T424 | V422-N445 PolarHBondContact O-N 3.01Å; F423-N445 VanDerWaalsContact CA-OD1 3.29Å; F423-N445 WeakPolarHBondContact CA-OD1 3.15Å; F423-N445 HydrophobicContact CD1-CB 4.49Å; F423-N445 VanDerWaalsContact CE1-C 3.5Å; F423-N445 HydrophobicContact CE1-CB 4.5Å; T424-N445 PolarHBondContact N-OD1 3Å; T424-N445 PolarHBondContact O-ND2 3.35Å; T424-N445 PolarHBondContact O-OD1 3.14Å; T424-N445 VanDerWaalsContact O-OD1 3.08Å |
| 446 | S | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | trans | -159.3 | 172.8 | -179.5 | 54.4 | 0 | 0 | 0 | 0 | 108.1 | W443 I444 | W443-S446 WeakPolarHBondContact CB-O 3.42Å; I444-S446 PolarHBondContact O-N 3.27Å; I444-S446 PolarHBondContact O-OG 3.19Å; I444-S446 VanDerWaalsContact O-OG 3.04Å | ||
| 447 | Y | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | trans | -156 | 149.6 | 174 | -157 | -90.3 | 0 | 0 | 0 | 110.2 | S264 L266 V280 A284 V294 G296 W443 F449 | S264-Y447 WeakPolarHBondContact CB-OH 3.36Å; L266-Y447 HydrophobicContact CB-CE2 4.21Å; L266-Y447 HydrophobicContact CD1-CD2 3.64Å; L266-Y447 HydrophobicContact CD1-CE2 4.01Å; L266-Y447 HydrophobicContact CD2-CD2 4.24Å; L266-Y447 HydrophobicContact CG-CD2 4.37Å; V280-Y447 VanDerWaalsContact CG1-CB 3.46Å; A284-Y447 HydrophobicContact CB-CD1 3.27Å; A284-Y447 HydrophobicContact CB-CD2 4.45Å; A284-Y447 HydrophobicContact CB-CE1 3.76Å; A284-Y447 HydrophobicContact CB-CG 3.68Å; V294-Y447 WeakPolarHBondContact O-CE1 3.21Å; V294-Y447 PolarHBondContact O-OH 2.89Å; G296-Y447 WeakPolarHBondContact CA-OH 3.39Å; G296-Y447 PolarHBondContact N-OH 2.87Å; W443-Y447 HydrophobicContact CE3-CD1 4.31Å; W443-Y447 AromaticContact CE3-CD2 3.75Å; W443-Y447 HydrophobicContact CE3-CD2 3.75Å; W443-Y447 HydrophobicContact CE3-CE1 4.28Å; W443-Y447 AromaticContact CE3-CE2 3.75Å; W443-Y447 HydrophobicContact CE3-CE2 3.75Å; W443-Y447 HydrophobicContact CE3-CG 4.05Å; W443-Y447 HydrophobicContact CZ3-CD1 4.33Å; W443-Y447 HydrophobicContact CZ3-CD2 4.33Å; W443-Y447 AromaticContact CZ3-CE1 3.94Å; W443-Y447 HydrophobicContact CZ3-CE1 3.94Å; W443-Y447 AromaticContact CZ3-CE2 3.98Å; W443-Y447 HydrophobicContact CZ3-CE2 3.98Å; W443-Y447 AromaticContact CZ3-CZ 3.76Å; Y447-F449 PolarHBondContact O-N 3.17Å | ||
| 448 | N | 96.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 52.2 | 30 | 177.2 | -163.4 | 34.9 | 0 | 0 | 0 | 114.2 | V294 V450 | V294-N448 VanDerWaalsContact CG1-OD1 3.31Å; V294-N448 WeakPolarHBondContact CG1-OD1 3.43Å; N448-V450 PolarHBondContact O-N 3.1Å |
| 449 | F | 95.9 | Very high | 97.6 | Very high | 142 Ų | 142 | 43.3 Ų | 43.3 | 62% | 0.623 | 23% | 0.228 | S | C | * | . | trans | -78.3 | 112.8 | 169 | -178.6 | -93.4 | 0 | 0 | 0 | 108.3 | W443 Y447 | W443-F449 PolarHBondContact NE1-O 2.76Å; Y447-F449 PolarHBondContact O-N 3.17Å | ||
| 450 | V | 95.2 | Very high | 97.6 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | trans | -120.9 | 139.1 | -178.4 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | F116 N448 F468 | F116-V450 HydrophobicContact CE1-CG1 4.19Å; F116-V450 HydrophobicContact CZ-CB 4.27Å; F116-V450 HydrophobicContact CZ-CG1 4.01Å; N448-V450 PolarHBondContact O-N 3.1Å; V450-F468 HydrophobicContact CG1-CD2 4.32Å; V450-F468 HydrophobicContact CG1-CE1 4.25Å; V450-F468 HydrophobicContact CG1-CE2 3.79Å; V450-F468 HydrophobicContact CG1-CZ 3.72Å | ||
| 451 | S | 96.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | trans | -140.9 | 146.3 | -179.7 | -156.5 | 0 | 0 | 0 | 0 | 110.5 | Q453 T454 | S451-Q453 PolarHBondContact O-N 3.33Å; S451-Q453 PolarHBondContact OG-OE1 3.02Å; S451-T454 PolarHBondContact N-OG1 3.1Å; S451-T454 PolarHBondContact O-N 2.64Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 PolarHBondContact O-OG1 2.86Å | ||
| 452 | P | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.9 | -177 | -27.1 | 37.4 | 0 | 0 | 0 | 114.5 | F116 Q119 Y123 G469 | F116-P452 HydrophobicContact CE2-CG 4.05Å; F116-P452 HydrophobicContact CZ-CG 4.38Å; Q119-P452 HydrophobicContact CG-CG 4.15Å; Y123-P452 HydrophobicContact CD1-CB 4.06Å; Y123-P452 WeakPolarHBondContact CD1-O 3.39Å; Y123-P452 HydrophobicContact CD2-CB 4.32Å; Y123-P452 VanDerWaalsContact CE1-O 3.24Å; Y123-P452 WeakPolarHBondContact CE1-O 3.41Å; Y123-P452 HydrophobicContact CG-CB 3.72Å; P452-G469 PolarHBondContact O-N 3.11Å |
| 453 | Q | 97.5 | Very high | 97.7 | Very high | 92 Ų | 92 | 46.7 Ų | 46.7 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18 | -176.5 | -51.8 | 74.1 | 14.4 | 0 | 0 | 113 | Y123 S451 | Y123-Q453 HydrophobicContact CD2-CG 3.81Å; Y123-Q453 HydrophobicContact CE2-CB 4.05Å; Y123-Q453 HydrophobicContact CE2-CG 3.67Å; S451-Q453 PolarHBondContact O-N 3.33Å; S451-Q453 PolarHBondContact OG-OE1 3.02Å |
| 454 | T | 97.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -104.3 | 123.4 | -174.2 | 53.3 | 0 | 0 | 0 | 0 | 110 | S451 F468 | S451-T454 PolarHBondContact N-OG1 3.1Å; S451-T454 PolarHBondContact O-N 2.64Å; S451-T454 VanDerWaalsContact O-N 3.1Å; S451-T454 PolarHBondContact O-OG1 2.86Å; T454-F468 WeakPolarHBondContact O-CB 3.49Å |
| 455 | P | 97.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 34% | 0.338 | 25% | 0.252 | S | S | . | . | trans | -63 | 142.1 | 179.3 | 27.6 | -34.9 | 0 | 0 | 0 | 111.2 | R466 E467 E471 | P455-R466 HydrophobicContact CB-CB 4.12Å; P455-R466 HydrophobicContact CB-CG 4.27Å; P455-E467 CarbonylContact C-O 3.56Å; P455-E467 WeakPolarHBondContact CA-O 3.38Å; P455-E471 HydrophobicContact CB-CB 4.12Å; P455-E471 HydrophobicContact CB-CG 4.22Å; P455-E471 HydrophobicContact CG-CG 4.4Å | ||
| 456 | F | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -122 | 146.4 | 174.2 | -177.3 | -93.8 | 0 | 0 | 0 | 108.8 | V294 L418 R466 E467 F468 | V294-F456 HydrophobicContact CB-CE2 4.28Å; V294-F456 HydrophobicContact CB-CZ 4.06Å; V294-F456 HydrophobicContact CG1-CE2 4.36Å; V294-F456 HydrophobicContact CG1-CZ 4.37Å; V294-F456 HydrophobicContact CG2-CE2 4.26Å; V294-F456 HydrophobicContact CG2-CZ 4.37Å; L418-F456 HydrophobicContact CD1-CE1 3.72Å; L418-F456 HydrophobicContact CD1-CZ 3.82Å; L418-F456 HydrophobicContact CD2-CE1 4.27Å; L418-F456 HydrophobicContact CD2-CZ 3.92Å; L418-F456 HydrophobicContact CG-CE1 4.2Å; L418-F456 HydrophobicContact CG-CZ 3.8Å; F456-R466 CarbonylContact O-C 3.44Å; F456-R466 WeakPolarHBondContact O-CA 3.29Å; F456-R466 WeakPolarHBondContact O-CB 3.26Å; F456-R466 VanDerWaalsContact O-CD 3.27Å; F456-R466 WeakPolarHBondContact O-CD 3.24Å; F456-E467 PolarHBondContact N-O 2.9Å; F456-E467 PolarHBondContact O-N 3.27Å; F456-F468 HydrophobicContact CB-CD2 3.45Å; F456-F468 VanDerWaalsContact CB-CD2 3.45Å; F456-F468 HydrophobicContact CB-CE2 3.79Å; F456-F468 HydrophobicContact CG-CD2 4.39Å; F456-F468 HydrophobicContact CG-CE2 4.27Å |
| 457 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 151.3 | 158.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E259 G440 R466 | E259-G457 WeakPolarHBondContact OE1-CA 3.38Å; E259-G457 VanDerWaalsContact OE2-CA 3.27Å; E259-G457 WeakPolarHBondContact OE2-CA 3.28Å; G440-G457 WeakPolarHBondContact CA-O 3.43Å; G457-R466 PolarHBondContact O-NH1 2.89Å | ||
| 458 | G | 97.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | trans | -73 | 154.8 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117 | R466 | G458-R466 PolarHBondContact O-NH1 2.83Š| ||
| 459 | Y | 97.9 | Very high | 97.4 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 43% | 0.427 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -89.8 | 165.5 | 154.1 | -81.3 | 45.6 | 0 | 0 | 0 | 109.4 | G417 E438 A439 M461 S462 | G417-Y459 WeakPolarHBondContact O-CB 3.48Å; G417-Y459 PolarHBondContact O-N 3.28Å; E438-Y459 HydrophobicContact CB-CD2 4.23Å; A439-Y459 VanDerWaalsContact C-CD1 3.49Å; A439-Y459 VanDerWaalsContact O-CE1 3.3Å; A439-Y459 WeakPolarHBondContact O-CE1 3.49Å; Y459-M461 PolarHBondContact O-N 3.42Å; Y459-S462 WeakPolarHBondContact O-CB 3.27Å; Y459-S462 PolarHBondContact O-N 2.96Å |
| 460 | K | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 41.7 Ų | 41.7 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 52.1 | -127.1 | 173.6 | -57.4 | 174.6 | -179.3 | 167.6 | 0 | 111.6 | N412 T414 H415 Y416 E438 S462 | N412-K460 PolarHBondContact O-NZ 3.45Å; T414-K460 WeakPolarHBondContact O-CD 3.32Å; T414-K460 PolarHBondContact O-NZ 3.28Å; H415-K460 WeakPolarHBondContact O-CB 3.43Å; Y416-K460 WeakPolarHBondContact O-CD 3.4Å; E438-K460 WeakPolarHBondContact OE2-CE 3.32Å; E438-K460 IonicContact OE2-NZ 3.83Å; E438-K460 PolarHBondContact OE2-NZ 2.9Å; K460-S462 VanDerWaalsContact C-N 3.33Å |
| 461 | M | 98.5 | Very high | 97.5 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -88.7 | 4.3 | -179.6 | -59.6 | -176.8 | 56 | 0 | 0 | 113.6 | T239 L260 H415 Y459 G463 | T239-M461 HydrophobicContact CG2-CB 3.96Å; T239-M461 HydrophobicContact CG2-CE 3.72Å; T239-M461 WeakPolarHBondContact CG2-O 3.36Å; L260-M461 WeakPolarHBondContact CD1-O 3.12Å; H415-M461 HydrophobicContact CB-CG 4.37Å; H415-M461 HydrophobicContact CB-SD 3.86Å; H415-M461 WeakPolarHBondContact O-CB 3.45Å; H415-M461 PolarHBondContact O-N 2.94Å; Y459-M461 PolarHBondContact O-N 3.42Å; M461-G463 VanDerWaalsContact C-N 3.28Å |
| 462 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -80.9 | -7 | 173 | -75 | 0 | 0 | 0 | 0 | 113.4 | L260 G261 Y416 G417 L418 Y459 K460 | L260-S462 WeakPolarHBondContact CA-O 3.2Å; L260-S462 WeakPolarHBondContact CB-O 3.39Å; L260-S462 PolarHBondContact N-O 3.47Å; G261-S462 WeakPolarHBondContact O-CB 3.5Å; G261-S462 PolarHBondContact O-OG 3.41Å; Y416-S462 WeakPolarHBondContact CA-OG 3.32Å; Y416-S462 WeakPolarHBondContact CB-OG 3.19Å; Y416-S462 WeakPolarHBondContact CD1-OG 3.19Å; G417-S462 PolarHBondContact N-OG 2.9Å; L418-S462 PolarHBondContact N-OG 2.98Å; Y459-S462 WeakPolarHBondContact O-CB 3.27Å; Y459-S462 PolarHBondContact O-N 2.96Å; K460-S462 VanDerWaalsContact C-N 3.33Å |
| 463 | G | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L258 M461 | L258-G463 CarbonylContact O-C 3.45Å; L258-G463 WeakPolarHBondContact O-CA 3.43Å; M461-G463 VanDerWaalsContact C-N 3.28Å |
| 464 | M | 97.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 129.3 | 175.1 | -176.2 | 177.9 | 72.5 | 0 | 0 | 109.1 | M246 V256 K257 L258 | M246-M464 HydrophobicContact CE-CE 4.07Å; M246-M464 HydrophobicContact CE-SD 4Å; V256-M464 HydrophobicContact CB-CE 3.8Å; V256-M464 HydrophobicContact CG1-CE 4.29Å; V256-M464 VanDerWaalsContact O-CE 3.3Å; V256-M464 WeakPolarHBondContact O-CE 3.27Å; K257-M464 WeakPolarHBondContact CA-O 3.44Å; L258-M464 PolarHBondContact N-O 3.41Å; L258-M464 PolarHBondContact O-N 3.47Å |
| 465 | G | 96.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 32% | 0.32 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 87.7 | -172.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 466 | R | 97.5 | Very high | 97.1 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 24% | 0.242 | 19% | 0.185 | C | C | . | . | trans | -136.9 | 146.4 | 176.9 | -63.2 | -65.7 | 178.7 | -102 | 8.4 | 110.5 | K257 P455 F456 G457 G458 E471 A472 | K257-R466 PolarHBondContact NZ-O 3.49Å; P455-R466 HydrophobicContact CB-CB 4.12Å; P455-R466 HydrophobicContact CB-CG 4.27Å; F456-R466 CarbonylContact O-C 3.44Å; F456-R466 WeakPolarHBondContact O-CA 3.29Å; F456-R466 WeakPolarHBondContact O-CB 3.26Å; F456-R466 VanDerWaalsContact O-CD 3.27Å; F456-R466 WeakPolarHBondContact O-CD 3.24Å; G457-R466 PolarHBondContact O-NH1 2.89Å; G458-R466 PolarHBondContact O-NH1 2.83Å; R466-E471 HydrophobicContact CB-CB 4.12Å; R466-A472 WeakPolarHBondContact O-CA 3.21Å | ||
| 467 | E | 96.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 169.3 | 161.7 | -66 | -169 | 153.7 | 0 | 0 | 110.2 | L169 K170 E259 P455 F456 | L169-E467 HydrophobicContact CD2-CB 4.43Å; L169-E467 WeakPolarHBondContact CD2-OE2 3.44Å; K170-E467 IonicContact NZ-OE1 2.74Å; K170-E467 PolarHBondContact NZ-OE1 3.45Å; E259-E467 HydrophobicContact CG-CG 3.74Å; P455-E467 CarbonylContact C-O 3.56Å; P455-E467 WeakPolarHBondContact CA-O 3.38Å; F456-E467 PolarHBondContact N-O 2.9Å; F456-E467 PolarHBondContact O-N 3.27Å |
| 468 | F | 97.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 54.3 | 178.4 | -169.4 | -49.6 | -81.9 | 0 | 0 | 0 | 115 | F116 T120 Y124 F165 L169 V450 T454 F456 A472 | F116-F468 HydrophobicContact CE1-CE1 4.12Å; F116-F468 HydrophobicContact CE1-CZ 4.37Å; F116-F468 HydrophobicContact CZ-CE1 4.35Å; T120-F468 HydrophobicContact CG2-CD1 4.47Å; T120-F468 HydrophobicContact CG2-CE1 4.49Å; Y124-F468 WeakPolarHBondContact OH-CA 3.31Å; Y124-F468 PolarHBondContact OH-N 3.25Å; F165-F468 HydrophobicContact CE1-CZ 4.14Å; F165-F468 HydrophobicContact CE2-CE1 4.4Å; F165-F468 AromaticContact CZ-CE1 3.7Å; F165-F468 HydrophobicContact CZ-CE1 3.7Å; F165-F468 AromaticContact CZ-CZ 3.58Å; F165-F468 HydrophobicContact CZ-CZ 3.58Å; L169-F468 HydrophobicContact CD1-CD1 3.54Å; L169-F468 HydrophobicContact CD1-CD2 4.38Å; L169-F468 HydrophobicContact CD1-CE1 3.35Å; L169-F468 HydrophobicContact CD1-CE2 4.23Å; L169-F468 HydrophobicContact CD1-CG 4.1Å; L169-F468 HydrophobicContact CD1-CZ 3.73Å; L169-F468 HydrophobicContact CD2-CE1 3.95Å; L169-F468 HydrophobicContact CD2-CE2 3.78Å; L169-F468 HydrophobicContact CD2-CZ 3.42Å; L169-F468 VanDerWaalsContact CD2-CZ 3.42Å; L169-F468 HydrophobicContact CG-CE1 4.27Å; L169-F468 HydrophobicContact CG-CZ 4.23Å; V450-F468 HydrophobicContact CG1-CD2 4.32Å; V450-F468 HydrophobicContact CG1-CE1 4.25Å; V450-F468 HydrophobicContact CG1-CE2 3.79Å; V450-F468 HydrophobicContact CG1-CZ 3.72Å; T454-F468 WeakPolarHBondContact O-CB 3.49Å; F456-F468 HydrophobicContact CB-CD2 3.45Å; F456-F468 VanDerWaalsContact CB-CD2 3.45Å; F456-F468 HydrophobicContact CB-CE2 3.79Å; F456-F468 HydrophobicContact CG-CD2 4.39Å; F456-F468 HydrophobicContact CG-CE2 4.27Å; F468-A472 WeakPolarHBondContact O-CB 3.48Å; F468-A472 PolarHBondContact O-N 3.04Å; F468-A472 VanDerWaalsContact O-N 3.12Å |
| 469 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -167.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y123 Y124 P452 E471 | Y123-G469 VanDerWaalsContact OH-C 3.22Å; Y123-G469 WeakPolarHBondContact OH-CA 3.36Å; Y124-G469 WeakPolarHBondContact CE1-O 3.44Å; P452-G469 PolarHBondContact O-N 3.11Å; G469-E471 VanDerWaalsContact C-N 3.33Å |
| 470 | K | 96.7 | Very high | 97.2 | Very high | 118 Ų | 118 | 43.2 Ų | 43.2 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.2 | 173.3 | 65.9 | 178.7 | -178.7 | -174.3 | 0 | 111.2 | Y123 Y127 A472 L473 | Y123-K470 PolarHBondContact OH-N 3.1Å; Y127-K470 HydrophobicContact CE1-CB 3.97Å; K470-A472 PolarHBondContact O-N 3.07Å; K470-L473 WeakPolarHBondContact O-CB 3.48Å; K470-L473 PolarHBondContact O-N 2.75Å |
| 471 | E | 96.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -61.8 | -27.5 | -178.7 | -65.7 | 70.9 | -159.7 | 0 | 0 | 111.1 | K257 P455 R466 G469 L473 D474 | K257-E471 PolarHBondContact NZ-O 3.35Å; P455-E471 HydrophobicContact CB-CB 4.12Å; P455-E471 HydrophobicContact CB-CG 4.22Å; P455-E471 HydrophobicContact CG-CG 4.4Å; R466-E471 HydrophobicContact CB-CB 4.12Å; G469-E471 VanDerWaalsContact C-N 3.33Å; E471-L473 PolarHBondContact O-N 3.26Å; E471-D474 PolarHBondContact O-N 3.09Å |
| 472 | A | 96.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -56 | -28.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y124 P173 K257 R466 F468 K470 Y476 | Y124-A472 HydrophobicContact CE1-CB 4.15Å; Y124-A472 WeakPolarHBondContact OH-CB 3.42Å; P173-A472 HydrophobicContact CB-CB 4.33Å; K257-A472 VanDerWaalsContact NZ-CA 3.27Å; K257-A472 PolarHBondContact NZ-O 3.25Å; R466-A472 WeakPolarHBondContact O-CA 3.21Å; F468-A472 WeakPolarHBondContact O-CB 3.48Å; F468-A472 PolarHBondContact O-N 3.04Å; F468-A472 VanDerWaalsContact O-N 3.12Å; K470-A472 PolarHBondContact O-N 3.07Å; A472-Y476 WeakPolarHBondContact O-CD2 3.47Å; A472-Y476 WeakPolarHBondContact O-CE2 3.49Å |
| 473 | L | 97.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -77.5 | -21.3 | -177.9 | -56.4 | 178.3 | 0 | 0 | 0 | 113 | Y124 Y127 I131 P173 C176 K470 E471 G475 Y476 L477 | Y124-L473 HydrophobicContact CD1-CD2 4.17Å; Y124-L473 HydrophobicContact CE1-CD2 4.14Å; Y127-L473 HydrophobicContact CD1-CD1 4.02Å; I131-L473 HydrophobicContact CD1-CD1 4.03Å; I131-L473 HydrophobicContact CG1-CD1 4.03Å; P173-L473 HydrophobicContact CB-CD2 4.02Å; C176-L473 HydrophobicContact CB-CD2 4.4Å; K470-L473 WeakPolarHBondContact O-CB 3.48Å; K470-L473 PolarHBondContact O-N 2.75Å; E471-L473 PolarHBondContact O-N 3.26Å; L473-G475 VanDerWaalsContact C-N 3.34Å; L473-G475 PolarHBondContact O-N 2.94Å; L473-Y476 PolarHBondContact O-N 2.93Å; L473-L477 HydrophobicContact CB-CD1 3.88Å; L473-L477 VanDerWaalsContact O-CG 3.3Å; L473-L477 WeakPolarHBondContact O-CG 3.42Å; L473-L477 PolarHBondContact O-N 3.07Å |
| 474 | D | 94.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -63.1 | -34.5 | -170.5 | -79.3 | -37.9 | 0 | 0 | 0 | 114.2 | R148 E471 Y476 | R148-D474 IonicContact CZ-OD1 3.62Å; R148-D474 IonicContact NH2-OD1 3.48Å; R148-D474 PolarHBondContact NH2-OD1 2.88Å; E471-D474 PolarHBondContact O-N 3.09Å; D474-Y476 VanDerWaalsContact C-N 3.28Å; D474-Y476 PolarHBondContact O-N 3Å |
| 475 | G | 92.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -83.5 | -1.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L473 | L473-G475 VanDerWaalsContact C-N 3.34Å; L473-G475 PolarHBondContact O-N 2.94Å |
| 476 | Y | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -110 | 3.1 | 176.6 | -51.6 | -48.1 | 0 | 0 | 0 | 112.3 | P150 V151 V154 P173 C174 C179 S234 A472 L473 D474 | P150-Y476 WeakPolarHBondContact CA-O 3.42Å; V151-Y476 PolarHBondContact N-O 3.48Å; V154-Y476 HydrophobicContact CG1-CD1 4.19Å; V154-Y476 HydrophobicContact CG1-CE1 3.93Å; V154-Y476 HydrophobicContact CG2-CD1 4.26Å; P173-Y476 HydrophobicContact CB-CD2 4.01Å; P173-Y476 HydrophobicContact CB-CE2 3.78Å; P173-Y476 HydrophobicContact CG-CD2 4.44Å; P173-Y476 HydrophobicContact CG-CE2 3.75Å; C174-Y476 WeakPolarHBondContact SG-CE1 3.47Å; C174-Y476 VanDerWaalsContact SG-CZ 3.52Å; C179-Y476 PolarHBondContact SG-O 2.78Å; S234-Y476 WeakPolarHBondContact CB-OH 3.35Å; S234-Y476 PolarHBondContact OG-OH 2.82Å; S234-Y476 VanDerWaalsContact OG-OH 3.14Å; A472-Y476 WeakPolarHBondContact O-CD2 3.47Å; A472-Y476 WeakPolarHBondContact O-CE2 3.49Å; L473-Y476 PolarHBondContact O-N 2.93Å; D474-Y476 VanDerWaalsContact C-N 3.28Å; D474-Y476 PolarHBondContact O-N 3Å |
| 477 | L | 98.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.4 | -179.4 | -64.7 | 168.9 | 0 | 0 | 0 | 111.6 | I131 R148 E149 A177 L473 | I131-L477 HydrophobicContact CD1-CD2 4.45Å; I131-L477 HydrophobicContact CG2-CD1 3.5Å; I131-L477 VanDerWaalsContact CG2-CD1 3.5Å; I131-L477 HydrophobicContact CG2-CD2 3.92Å; I131-L477 HydrophobicContact CG2-CG 4.38Å; R148-L477 HydrophobicContact CB-CD1 4.39Å; R148-L477 HydrophobicContact CB-CD2 4.32Å; E149-L477 CarbonylContact O-C 3.55Å; E149-L477 VanDerWaalsContact O-CA 3.3Å; E149-L477 WeakPolarHBondContact O-CA 3.42Å; A177-L477 HydrophobicContact CB-CD2 3.94Å; A177-L477 HydrophobicContact CB-CG 4.4Å; L473-L477 HydrophobicContact CB-CD1 3.88Å; L473-L477 VanDerWaalsContact O-CG 3.3Å; L473-L477 WeakPolarHBondContact O-CG 3.42Å; L473-L477 PolarHBondContact O-N 3.07Å |
| 478 | Q | 97.6 | Very high | 97.3 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.7 | 168.8 | -170.4 | 62.6 | 32.5 | 0 | 0 | 109.5 | E149 V151 H255 | E149-Q478 PolarHBondContact N-O 2.77Å; E149-Q478 PolarHBondContact O-N 2.99Å; V151-Q478 HydrophobicContact CG1-CB 4.23Å; H255-Q478 PolarHBondContact NE2-OE1 2.77Å |
| 479 | T | 98 | Very high | 97.2 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.3 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | T146 R147 R148 | T146-T479 HydrophobicContact CG2-CG2 4.04Å; R147-T479 WeakPolarHBondContact O-CA 3.34Å; R148-T479 WeakPolarHBondContact CD-OG1 3.44Å; R148-T479 PolarHBondContact NH1-OG1 2.88Å |
| 480 | K | 98.4 | Very high | 97.2 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.7 | 171.9 | 178.9 | -178.2 | -67.8 | 162 | 0 | 109.3 | T146 R147 E149 I482 | T146-K480 CarbonylContact C-O 3.43Å; T146-K480 VanDerWaalsContact CA-O 3.26Å; T146-K480 WeakPolarHBondContact CA-O 3.33Å; R147-K480 HydrophobicContact CB-CB 4.43Å; R147-K480 PolarHBondContact N-O 2.93Å; R147-K480 PolarHBondContact O-N 3.38Å; E149-K480 IonicContact OE1-NZ 2.86Å; E149-K480 PolarHBondContact OE1-NZ 3.48Å; E149-K480 VanDerWaalsContact OE2-CE 3.31Å; E149-K480 WeakPolarHBondContact OE2-CE 3.04Å; E149-K480 IonicContact OE2-NZ 2.7Å; E149-K480 PolarHBondContact OE2-NZ 3.39Å; K480-I482 HydrophobicContact CD-CG1 4.49Å; K480-I482 HydrophobicContact CG-CG1 4.41Å |
| 481 | V | 98.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.1 | 173 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | T144 T146 | T144-V481 HydrophobicContact CG2-CG1 3.64Å; T146-V481 HydrophobicContact CG2-CG2 4.16Å |
| 482 | I | 98.6 | Very high | 97.1 | Very high | 60 Ų | 60 | 72.3 Ų | 72.3 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.3 | 171.7 | -61 | 178.2 | 0 | 0 | 0 | 107 | T144 F145 R147 K480 | T144-I482 WeakPolarHBondContact CA-O 3.49Å; F145-I482 HydrophobicContact CD2-CB 4.48Å; F145-I482 HydrophobicContact CE1-CB 4.15Å; F145-I482 HydrophobicContact CE1-CG2 3.96Å; F145-I482 HydrophobicContact CE2-CB 4.02Å; F145-I482 HydrophobicContact CE2-CD1 3.87Å; F145-I482 HydrophobicContact CE2-CG1 4.39Å; F145-I482 HydrophobicContact CE2-CG2 4.43Å; F145-I482 HydrophobicContact CZ-CB 3.84Å; F145-I482 HydrophobicContact CZ-CD1 4.05Å; F145-I482 HydrophobicContact CZ-CG2 3.76Å; F145-I482 PolarHBondContact N-O 2.69Å; F145-I482 PolarHBondContact O-N 2.72Å; R147-I482 VanDerWaalsContact CD-CD1 3.48Å; R147-I482 HydrophobicContact CG-CD1 4.12Å; K480-I482 HydrophobicContact CD-CG1 4.49Å; K480-I482 HydrophobicContact CG-CG1 4.41Å |
| 483 | S | 98.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 75.9 Ų | 75.9 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.2 | 177 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | I143 T144 | I143-S483 WeakPolarHBondContact O-CA 3.45Å; T144-S483 WeakPolarHBondContact CG2-OG 2.75Å; T144-S483 WeakPolarHBondContact OG1-CB 3.2Å; T144-S483 PolarHBondContact OG1-OG 3.38Å |
| 484 | M | 98 | Very high | 97.1 | Very high | 107 Ų | 107 | 79.7 Ų | 79.7 | 53% | 0.527 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.3 | 177.7 | -176.9 | -177.3 | 74 | 0 | 0 | 109 | M142 I143 I486 | M142-M484 WeakPolarHBondContact CA-O 3.27Å; I143-M484 HydrophobicContact CG2-CB 3.87Å; I143-M484 HydrophobicContact CG2-CE 3.78Å; I143-M484 PolarHBondContact N-O 3.06Å; I143-M484 PolarHBondContact O-N 2.71Å; M484-I486 HydrophobicContact CE-CG2 3.94Å |
| 485 | P | 97.8 | Very high | 97.2 | Very high | 99 Ų | 99 | 79.1 Ų | 79.1 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 139 | 171.2 | 27.6 | -33.4 | 0 | 0 | 0 | 110.1 | M142 | M142-P485 WeakPolarHBondContact SD-CA 3.27Å; M142-P485 HydrophobicContact SD-CB 3.86Å |
| 486 | I | 97.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 83.3 Ų | 83.3 | 29% | 0.287 | 48% | 0.482 | S | S | . | . | trans | -124.3 | 163 | 173.5 | 58.3 | 172.8 | 0 | 0 | 0 | 109.1 | N141 I143 M484 K489 | N141-I486 HydrophobicContact CB-CG1 4.48Å; N141-I486 VanDerWaalsContact CB-O 3.32Å; N141-I486 WeakPolarHBondContact CB-O 2.95Å; N141-I486 WeakPolarHBondContact O-CG1 3.24Å; N141-I486 PolarHBondContact O-N 2.94Å; I143-I486 HydrophobicContact CB-CD1 4.46Å; I143-I486 HydrophobicContact CB-CG2 4.2Å; I143-I486 HydrophobicContact CG2-CG2 3.79Å; M484-I486 HydrophobicContact CE-CG2 3.94Å; I486-K489 HydrophobicContact CD1-CB 3.95Å; I486-K489 HydrophobicContact CD1-CG 4.44Å | ||
| 487 | S | 97.6 | Very high | 97.5 | Very high | 110 Ų | 110 | 88.6 Ų | 88.6 | 77% | 0.769 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -65.8 | -47.6 | -178 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | N141 | N141-S487 PolarHBondContact ND2-O 3.37Å; N141-S487 VanDerWaalsContact ND2-O 3.16Å |
| 488 | V | 96.9 | Very high | 97.4 | Very high | 90 Ų | 90 | 94.2 Ų | 94.2 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | trans | -146.3 | 124.2 | 179.4 | -176 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 489 | K | 96.7 | Very high | 97.4 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | trans | -85.6 | 137.2 | 169.7 | -175.7 | -166.1 | 73.4 | -156.6 | 0 | 109.8 | V138 G140 N141 I486 | V138-K489 PolarHBondContact O-NZ 2.89Å; G140-K489 WeakPolarHBondContact O-CD 3.38Å; G140-K489 WeakPolarHBondContact O-CE 3.49Å; G140-K489 PolarHBondContact O-NZ 2.92Å; N141-K489 PolarHBondContact OD1-N 3.03Å; I486-K489 HydrophobicContact CD1-CB 3.95Å; I486-K489 HydrophobicContact CD1-CG 4.44Å | ||
| 490 | N | 95.9 | Very high | 97.4 | Very high | 134 Ų | 134 | 97.5 Ų | 97.5 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | trans | -123.4 | 154.8 | 169.9 | -71.2 | -86.4 | 0 | 0 | 0 | 109.8 | ||||
| 491 | S | 94.1 | Very high | 97.3 | Very high | 193 Ų | 193 | 97.6 Ų | 97.6 | 100% | 1.35 | 59% | 0.586 | S | S | * | * | trans | -77.7 | 0 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 491 of 491 residues in 251.5 ms
(Link to these results)