| 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 | 90.9 | Very high | 92 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | 0 | 148.7 | 0 | -71.2 | -169.6 | -69.4 | 0 | 0 | 109.1 | L120 | M1-L120 HydrophobicContact CE-CD1 4.46Å; M1-L120 HydrophobicContact SD-CB 4.01Å; M1-L120 HydrophobicContact SD-CD1 4.32Å | |||
| 2 | K | 93.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -68.9 | 146 | 171.3 | -57.4 | -176.6 | 79 | 81.2 | 0 | 110.1 | W87 K88 A90 C112 F115 N116 T166 D168 L169 | K2-W87 HydrophobicContact CB-CE3 3.62Å; K2-W87 HydrophobicContact CB-CZ3 4.08Å; K2-K88 WeakPolarHBondContact CB-O 3.5Å; K2-A90 HydrophobicContact CG-CB 3.93Å; K2-C112 HydrophobicContact CD-CB 4.27Å; K2-F115 HydrophobicContact CD-CB 4.47Å; K2-F115 HydrophobicContact CD-CD1 3.86Å; K2-F115 HydrophobicContact CD-CE1 4.43Å; K2-F115 HydrophobicContact CD-CG 4.24Å; K2-F115 HydrophobicContact CG-CD1 3.66Å; K2-F115 HydrophobicContact CG-CE1 3.88Å; K2-N116 WeakPolarHBondContact CB-OD1 3.34Å; K2-N116 PolarHBondContact N-OD1 3.03Å; K2-N116 PolarHBondContact O-ND2 2.9Å; K2-T166 PolarHBondContact NZ-OG1 2.96Å; K2-D168 WeakPolarHBondContact CD-OD2 3.31Å; K2-D168 VanDerWaalsContact CG-OD2 3.25Å; K2-D168 WeakPolarHBondContact CG-OD2 3.39Å; K2-D168 IonicContact NZ-OD1 3.88Å; K2-D168 PolarHBondContact NZ-OD1 3.43Å; K2-D168 IonicContact NZ-OD2 3.8Å; K2-D168 PolarHBondContact NZ-OD2 3.3Å; K2-L169 HydrophobicContact CD-CD1 4.38Å; K2-L169 HydrophobicContact CD-CG 4.5Å | ||
| 3 | K | 92.3 | Very high | 92.3 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.535 | 26% | 0.262 | S | S | . | . | trans | -106.6 | 127.7 | 174.5 | -64.3 | 174.5 | -178.3 | 165.1 | 0 | 108.9 | K88 E92 | K3-K88 HydrophobicContact CB-CB 4.27Å; K3-K88 PolarHBondContact O-N 2.94Å; K3-E92 IonicContact NZ-OE1 3.25Å | ||
| 4 | S | 93.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 170.8 | 172 | -157.1 | 0 | 0 | 0 | 0 | 110.7 | R40 K86 | S4-R40 PolarHBondContact OG-NH2 3.36Å; S4-K86 PolarHBondContact OG-O 2.65Å |
| 5 | Y | 88.5 | Confident | 92.2 | Very high | 93 Ų | 93 | 57 Ų | 57 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | trans | -116.2 | 164.9 | 173 | -65.1 | -87.1 | 0 | 0 | 0 | 110.4 | V7 R40 K86 K88 | Y5-V7 PolarHBondContact O-N 3.25Å; Y5-R40 PolarHBondContact O-NH1 2.85Å; Y5-R40 PolarHBondContact O-NH2 3.17Å; Y5-K86 HydrophobicContact CD2-CB 4.21Å; Y5-K86 HydrophobicContact CD2-CD 3.94Å; Y5-K86 HydrophobicContact CD2-CG 3.83Å; Y5-K86 HydrophobicContact CE2-CD 4.14Å; Y5-K86 HydrophobicContact CE2-CG 4.15Å; Y5-K88 HydrophobicContact CE2-CD 4.26Å; Y5-K88 HydrophobicContact CE2-CG 4.09Å; Y5-K88 WeakPolarHBondContact OH-CD 3.31Å; Y5-K88 WeakPolarHBondContact OH-CE 3.46Å; Y5-K88 PolarHBondContact OH-NZ 3.01Å | ||
| 6 | E | 89.5 | Confident | 92.2 | Very high | 167 Ų | 167 | 56 Ų | 56 | 78% | 0.78 | 28% | 0.281 | S | S | * | . | trans | -57.9 | 137.9 | 165.7 | -69 | -167.7 | 163.6 | 0 | 0 | 109.9 | ||||
| 7 | V | 92 | Very high | 92.1 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -137.2 | 132.9 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 106.4 | Y5 L9 V83 F85 | Y5-V7 PolarHBondContact O-N 3.25Å; V7-L9 PolarHBondContact O-N 3.03Å; V7-V83 HydrophobicContact CG1-CG1 3.29Å; V7-F85 HydrophobicContact CG1-CD1 4.43Å | ||
| 8 | D | 93.2 | Very high | 91.9 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | trans | -74.3 | 97.2 | 171 | -178.9 | 20.2 | 0 | 0 | 0 | 109.9 | G10 G11 P12 | D8-G10 PolarHBondContact OD1-N 3.37Å; D8-G11 PolarHBondContact OD1-N 3.43Å; D8-P12 WeakPolarHBondContact O-CD 3.42Å | ||
| 9 | L | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | trans | -85.3 | -31.2 | 167.8 | -87.7 | 171.9 | 0 | 0 | 0 | 111.9 | V7 L13 F36 R40 L76 V83 F85 | V7-L9 PolarHBondContact O-N 3.03Å; L9-L13 HydrophobicContact CB-CD1 4.21Å; L9-L13 HydrophobicContact CD2-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.47Å; L9-L13 VanDerWaalsContact O-N 3.17Å; L9-F36 HydrophobicContact CD1-CD1 4.1Å; L9-F36 HydrophobicContact CD1-CE1 3.83Å; L9-F36 HydrophobicContact CD2-CE1 4.26Å; L9-R40 HydrophobicContact CD1-CB 4.13Å; L9-R40 HydrophobicContact CD1-CG 4.31Å; L9-L76 HydrophobicContact CD2-CD2 4.2Å; L9-V83 HydrophobicContact CD2-CB 4.3Å; L9-V83 HydrophobicContact CD2-CG1 3.75Å; L9-V83 HydrophobicContact CD2-CG2 4Å; L9-V83 HydrophobicContact CG-CG1 4.25Å; L9-F85 HydrophobicContact CD2-CE1 4.07Å; L9-F85 HydrophobicContact CD2-CZ 3.9Å; L9-F85 HydrophobicContact CG-CE1 4.43Å | ||
| 10 | G | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -44.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D8 R14 | D8-G10 PolarHBondContact OD1-N 3.37Å; G10-R14 VanDerWaalsContact C-CZ 3.41Å; G10-R14 WeakPolarHBondContact O-CB 3.41Å; G10-R14 WeakPolarHBondContact O-CG 3.17Å; G10-R14 VanDerWaalsContact O-CZ 3.27Å; G10-R14 PolarHBondContact O-N 3Å; G10-R14 PolarHBondContact O-NE 3.36Å; G10-R14 VanDerWaalsContact O-NE 3.17Å |
| 11 | G | 93 | Very high | 91.2 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.8 | -62.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D8 L13 R14 S15 | D8-G11 PolarHBondContact OD1-N 3.43Å; G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 2.8Å; G11-R14 PolarHBondContact O-N 3.17Å; G11-S15 PolarHBondContact O-N 3.43Å; G11-S15 PolarHBondContact O-OG 2.78Å |
| 12 | P | 94.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | -179.1 | -28.9 | 37.2 | 0 | 0 | 0 | 114.1 | D8 S15 Y16 I81 V83 | D8-P12 WeakPolarHBondContact O-CD 3.42Å; P12-S15 PolarHBondContact O-N 3.27Å; P12-Y16 WeakPolarHBondContact O-CB 3.24Å; P12-Y16 PolarHBondContact O-N 3.18Å; P12-I81 HydrophobicContact CB-CG2 3.78Å; P12-V83 HydrophobicContact CB-CG2 3.82Å; P12-V83 HydrophobicContact CG-CG2 4.03Å |
| 13 | L | 93.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.3 | -70.4 | 172.3 | 0 | 0 | 0 | 111.7 | L9 G11 S15 Y16 I17 V33 F36 L74 L76 I81 | L9-L13 HydrophobicContact CB-CD1 4.21Å; L9-L13 HydrophobicContact CD2-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.47Å; L9-L13 VanDerWaalsContact O-N 3.17Å; G11-L13 VanDerWaalsContact C-N 3.34Å; G11-L13 PolarHBondContact O-N 2.8Å; L13-S15 PolarHBondContact O-N 2.82Å; L13-Y16 PolarHBondContact O-N 2.98Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 2.66Å; L13-V33 HydrophobicContact CB-CG1 4.21Å; L13-V33 HydrophobicContact CB-CG2 4.21Å; L13-V33 HydrophobicContact CD1-CG1 4.29Å; L13-F36 HydrophobicContact CD1-CD1 3.7Å; L13-F36 HydrophobicContact CD1-CE1 4.07Å; L13-L74 HydrophobicContact CD2-CB 4.06Å; L13-L74 HydrophobicContact CD2-CD1 4.03Å; L13-L74 HydrophobicContact CD2-CG 4.49Å; L13-L76 HydrophobicContact CD2-CD2 4.2Å; L13-I81 HydrophobicContact CD2-CD1 4.04Å; L13-I81 HydrophobicContact CD2-CG2 4.16Å |
| 14 | R | 91.6 | Very high | 87.5 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 36% | 0.362 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 178.2 | -76.5 | -178.1 | -73.4 | -99.2 | 2.8 | 112.1 | G10 G11 I17 A18 V33 N34 | G10-R14 VanDerWaalsContact C-CZ 3.41Å; G10-R14 WeakPolarHBondContact O-CB 3.41Å; G10-R14 WeakPolarHBondContact O-CG 3.17Å; G10-R14 VanDerWaalsContact O-CZ 3.27Å; G10-R14 PolarHBondContact O-N 3Å; G10-R14 PolarHBondContact O-NE 3.36Å; G10-R14 VanDerWaalsContact O-NE 3.17Å; G11-R14 PolarHBondContact O-N 3.17Å; R14-I17 PolarHBondContact O-N 3.21Å; R14-A18 WeakPolarHBondContact O-CB 3.36Å; R14-A18 PolarHBondContact O-N 2.88Å; R14-V33 HydrophobicContact CG-CG1 4.24Å; R14-V33 HydrophobicContact CG-CG2 4.41Å; R14-N34 PolarHBondContact NH1-OD1 3.09Å; R14-N34 VanDerWaalsContact NH1-OD1 3.13Å |
| 15 | S | 92 | Very high | 85.8 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 57% | 0.573 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 176 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | G11 P12 L13 S19 | G11-S15 PolarHBondContact O-N 3.43Å; G11-S15 PolarHBondContact O-OG 2.78Å; P12-S15 PolarHBondContact O-N 3.27Å; L13-S15 PolarHBondContact O-N 2.82Å; S15-S19 WeakPolarHBondContact O-CB 3.42Å; S15-S19 PolarHBondContact O-N 3.41Å; S15-S19 PolarHBondContact O-OG 3.46Å |
| 16 | Y | 91.8 | Very high | 84.3 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 176.9 | -174.5 | -93.7 | 0 | 0 | 0 | 111.5 | P12 L13 A18 S19 S20 Y21 L74 Q80 I81 | P12-Y16 WeakPolarHBondContact O-CB 3.24Å; P12-Y16 PolarHBondContact O-N 3.18Å; L13-Y16 PolarHBondContact O-N 2.98Å; Y16-A18 PolarHBondContact O-N 3.31Å; Y16-S19 PolarHBondContact O-N 3.24Å; Y16-S19 VanDerWaalsContact O-N 3.11Å; Y16-S19 PolarHBondContact O-OG 3.23Å; Y16-S20 WeakPolarHBondContact O-CB 3.17Å; Y16-S20 PolarHBondContact O-N 2.88Å; Y16-S20 PolarHBondContact O-OG 3.37Å; Y16-Y21 HydrophobicContact CD1-CE2 4.45Å; Y16-Y21 HydrophobicContact CE1-CE2 4.17Å; Y16-L74 HydrophobicContact CD1-CD2 3.93Å; Y16-L74 HydrophobicContact CE1-CD2 4.33Å; Y16-Q80 HydrophobicContact CE2-CB 3.93Å; Y16-Q80 HydrophobicContact CE2-CG 4.47Å; Y16-I81 HydrophobicContact CD1-CD1 3.62Å; Y16-I81 HydrophobicContact CD1-CG1 4.12Å; Y16-I81 HydrophobicContact CD2-CD1 4.03Å; Y16-I81 HydrophobicContact CD2-CG1 3.56Å; Y16-I81 HydrophobicContact CE1-CD1 4.15Å; Y16-I81 HydrophobicContact CE2-CG1 4.12Å; Y16-I81 HydrophobicContact CG-CD1 3.53Å; Y16-I81 HydrophobicContact CG-CG1 3.55Å |
| 17 | I | 90.5 | Very high | 82.8 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56 | -51.6 | 179.3 | -71.3 | 165.2 | 0 | 0 | 0 | 110.7 | L13 R14 S19 S20 Y21 D29 V33 L74 | L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.23Å; L13-I17 PolarHBondContact O-N 2.66Å; R14-I17 PolarHBondContact O-N 3.21Å; I17-S19 PolarHBondContact O-N 3.3Å; I17-S20 PolarHBondContact O-N 3.35Å; I17-Y21 HydrophobicContact CG2-CD2 4.45Å; I17-Y21 WeakPolarHBondContact O-CB 3.32Å; I17-Y21 PolarHBondContact O-N 3.48Å; I17-D29 HydrophobicContact CG2-CB 4.33Å; I17-D29 WeakPolarHBondContact CG2-OD2 3.28Å; I17-V33 HydrophobicContact CD1-CG2 3.81Å; I17-L74 HydrophobicContact CD1-CD1 4.41Å; I17-L74 HydrophobicContact CD1-CD2 4.24Å; I17-L74 HydrophobicContact CG1-CD2 3.73Å |
| 18 | A | 88.5 | Confident | 81.5 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -26.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R14 Y16 | R14-A18 WeakPolarHBondContact O-CB 3.36Å; R14-A18 PolarHBondContact O-N 2.88Å; Y16-A18 PolarHBondContact O-N 3.31Å |
| 19 | S | 89.5 | Confident | 80.5 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -87 | -28.3 | 178.9 | 70.5 | 0 | 0 | 0 | 0 | 114 | S15 Y16 I17 | S15-S19 WeakPolarHBondContact O-CB 3.42Å; S15-S19 PolarHBondContact O-N 3.41Å; S15-S19 PolarHBondContact O-OG 3.46Å; Y16-S19 PolarHBondContact O-N 3.24Å; Y16-S19 VanDerWaalsContact O-N 3.11Å; Y16-S19 PolarHBondContact O-OG 3.23Å; I17-S19 PolarHBondContact O-N 3.3Å |
| 20 | S | 88.2 | Confident | 80 | Confident | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -108.8 | -18.6 | -170.5 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | Y16 I17 | Y16-S20 WeakPolarHBondContact O-CB 3.17Å; Y16-S20 PolarHBondContact O-N 2.88Å; Y16-S20 PolarHBondContact O-OG 3.37Å; I17-S20 PolarHBondContact O-N 3.35Å |
| 21 | Y | 84.3 | Confident | 79.7 | Confident | 106 Ų | 106 | 73 Ų | 73 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -127.4 | 144 | -178.7 | -57.9 | -91.1 | 0 | 0 | 0 | 109.9 | Y16 I17 T23 K73 L74 | Y16-Y21 HydrophobicContact CD1-CE2 4.45Å; Y16-Y21 HydrophobicContact CE1-CE2 4.17Å; I17-Y21 HydrophobicContact CG2-CD2 4.45Å; I17-Y21 WeakPolarHBondContact O-CB 3.32Å; I17-Y21 PolarHBondContact O-N 3.48Å; Y21-T23 PolarHBondContact O-N 2.92Å; Y21-K73 PolarHBondContact OH-O 2.86Å; Y21-L74 HydrophobicContact CE2-CD2 4.38Å |
| 22 | S | 73.5 | Confident | 79.5 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | trans | -65.1 | 125.2 | 176 | 14.5 | 0 | 0 | 0 | 0 | 110.6 | E24 D25 | S22-E24 PolarHBondContact O-N 3.34Å; S22-D25 WeakPolarHBondContact CB-OD2 3.45Å; S22-D25 PolarHBondContact O-N 2.87Å; S22-D25 VanDerWaalsContact O-N 3.07Å; S22-D25 PolarHBondContact OG-OD2 2.96Å | ||
| 23 | T | 62.2 | Low | 79.4 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.8 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 114 | Y21 D25 | Y21-T23 PolarHBondContact O-N 2.92Å; T23-D25 PolarHBondContact O-N 3.4Å |
| 24 | E | 62.4 | Low | 79.3 | Confident | 183 Ų | 183 | 76.1 Ų | 76.1 | 86% | 0.855 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -69.1 | -22.8 | 175.1 | -66.7 | -173 | 170.9 | 0 | 0 | 112.5 | S22 | S22-E24 PolarHBondContact O-N 3.34Š|
| 25 | D | 58.2 | Low | 79.4 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 67% | 0.674 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -90 | -11.4 | -170.4 | -68.5 | -41.8 | 0 | 0 | 0 | 114.5 | S22 T23 | S22-D25 WeakPolarHBondContact CB-OD2 3.45Å; S22-D25 PolarHBondContact O-N 2.87Å; S22-D25 VanDerWaalsContact O-N 3.07Å; S22-D25 PolarHBondContact OG-OD2 2.96Å; T23-D25 PolarHBondContact O-N 3.4Å |
| 26 | C | 56.9 | Low | 79.4 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | trans | -156 | 76.5 | -174.6 | -150.5 | 0 | 0 | 0 | 0 | 117 | T28 D29 | C26-T28 PolarHBondContact O-N 3.45Å; C26-T28 VanDerWaalsContact O-N 3.09Å; C26-T28 PolarHBondContact SG-OG1 3.03Å; C26-D29 WeakPolarHBondContact CB-OD2 3.41Å; C26-D29 PolarHBondContact O-N 3.44Å; C26-D29 PolarHBondContact SG-OD1 3.38Å | ||
| 27 | P | 58.2 | Low | 79.5 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 80% | 0.799 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.5 | 172.2 | 22.8 | -31.6 | 0 | 0 | 0 | 114.3 | ||
| 28 | T | 63.9 | Low | 79.6 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 56% | 0.558 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.3 | -179.5 | 41.5 | 0 | 0 | 0 | 0 | 114.8 | C26 S30 A31 A32 | C26-T28 PolarHBondContact O-N 3.45Å; C26-T28 VanDerWaalsContact O-N 3.09Å; C26-T28 PolarHBondContact SG-OG1 3.03Å; T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 3.01Å; T28-A31 PolarHBondContact O-N 3.4Å; T28-A31 VanDerWaalsContact O-N 3.15Å; T28-A32 PolarHBondContact O-N 3.49Å |
| 29 | D | 72 | Confident | 79.8 | Confident | 44 Ų | 44 | 72 Ų | 72 | 24% | 0.235 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.2 | -38.2 | -174.5 | -73.9 | -21.6 | 0 | 0 | 0 | 113.5 | I17 C26 A31 A32 V33 | I17-D29 HydrophobicContact CG2-CB 4.33Å; I17-D29 WeakPolarHBondContact CG2-OD2 3.28Å; C26-D29 WeakPolarHBondContact CB-OD2 3.41Å; C26-D29 PolarHBondContact O-N 3.44Å; C26-D29 PolarHBondContact SG-OD1 3.38Å; D29-A31 VanDerWaalsContact C-N 3.31Å; D29-A31 PolarHBondContact O-N 3.41Å; D29-A32 PolarHBondContact O-N 2.95Å; D29-V33 WeakPolarHBondContact O-CB 3.25Å; D29-V33 VanDerWaalsContact O-CG2 3.25Å; D29-V33 WeakPolarHBondContact O-CG2 3.34Å; D29-V33 PolarHBondContact O-N 3.23Å |
| 30 | S | 82.3 | Confident | 80.1 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 43% | 0.427 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | T28 N34 | T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 3.01Å; S30-N34 WeakPolarHBondContact O-CB 3.48Å; S30-N34 PolarHBondContact O-N 2.76Å; S30-N34 PolarHBondContact O-ND2 2.87Å |
| 31 | A | 87.7 | Confident | 80.3 | Confident | 66 Ų | 66 | 67 Ų | 67 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T28 D29 N34 E35 | T28-A31 PolarHBondContact O-N 3.4Å; T28-A31 VanDerWaalsContact O-N 3.15Å; D29-A31 VanDerWaalsContact C-N 3.31Å; D29-A31 PolarHBondContact O-N 3.41Å; A31-N34 PolarHBondContact O-N 2.72Å; A31-E35 WeakPolarHBondContact O-CB 3.44Å; A31-E35 PolarHBondContact O-N 2.99Å |
| 32 | A | 88.5 | Confident | 80.6 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T28 D29 N34 E35 F36 M349 | T28-A32 PolarHBondContact O-N 3.49Å; D29-A32 PolarHBondContact O-N 2.95Å; A32-N34 VanDerWaalsContact C-N 3.34Å; A32-N34 PolarHBondContact O-N 3.46Å; A32-E35 PolarHBondContact O-N 2.93Å; A32-F36 PolarHBondContact O-N 3.29Å; A32-M349 HydrophobicContact CB-SD 4.43Å; A32-M349 VanDerWaalsContact O-SD 3.33Å |
| 33 | V | 91.6 | Very high | 81.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L13 R14 I17 D29 F36 C37 | L13-V33 HydrophobicContact CB-CG1 4.21Å; L13-V33 HydrophobicContact CB-CG2 4.21Å; L13-V33 HydrophobicContact CD1-CG1 4.29Å; R14-V33 HydrophobicContact CG-CG1 4.24Å; R14-V33 HydrophobicContact CG-CG2 4.41Å; I17-V33 HydrophobicContact CD1-CG2 3.81Å; D29-V33 WeakPolarHBondContact O-CB 3.25Å; D29-V33 VanDerWaalsContact O-CG2 3.25Å; D29-V33 WeakPolarHBondContact O-CG2 3.34Å; D29-V33 PolarHBondContact O-N 3.23Å; V33-F36 WeakPolarHBondContact O-CB 3.48Å; V33-F36 PolarHBondContact O-N 3.34Å; V33-C37 PolarHBondContact O-N 3.42Å; V33-C37 PolarHBondContact O-SG 2.86Å |
| 34 | N | 92.5 | Very high | 82.9 | Confident | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 177.7 | -69.9 | -22.1 | 0 | 0 | 0 | 111.8 | R14 S30 A31 A32 C37 R38 | R14-N34 PolarHBondContact NH1-OD1 3.09Å; R14-N34 VanDerWaalsContact NH1-OD1 3.13Å; S30-N34 WeakPolarHBondContact O-CB 3.48Å; S30-N34 PolarHBondContact O-N 2.76Å; S30-N34 PolarHBondContact O-ND2 2.87Å; A31-N34 PolarHBondContact O-N 2.72Å; A32-N34 VanDerWaalsContact C-N 3.34Å; A32-N34 PolarHBondContact O-N 3.46Å; N34-C37 PolarHBondContact O-N 3.48Å; N34-R38 WeakPolarHBondContact O-CB 3.4Å; N34-R38 PolarHBondContact O-N 2.74Å |
| 35 | E | 92 | Very high | 84.1 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.7 | 177.6 | 58.3 | -166.1 | 0 | 0 | 111.6 | A31 A32 R38 L39 M349 | A31-E35 WeakPolarHBondContact O-CB 3.44Å; A31-E35 PolarHBondContact O-N 2.99Å; A32-E35 PolarHBondContact O-N 2.93Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.46Å; E35-R38 IonicContact OE1-CZ 2.81Å; E35-R38 IonicContact OE1-NE 2.68Å; E35-R38 IonicContact OE1-NH2 2.91Å; E35-R38 PolarHBondContact OE1-NH2 3.11Å; E35-R38 IonicContact OE2-CZ 3.5Å; E35-R38 IonicContact OE2-NE 2.88Å; E35-R38 PolarHBondContact OE2-NE 3.06Å; E35-R38 IonicContact OE2-NH2 3.32Å; E35-R38 PolarHBondContact OE2-NH2 2.98Å; E35-L39 VanDerWaalsContact O-CB 3.31Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 PolarHBondContact O-N 3.04Å; E35-M349 HydrophobicContact CB-SD 4.1Å; E35-M349 HydrophobicContact CG-SD 3.97Å |
| 36 | F | 92.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 173.5 | -170.3 | -126.9 | 0 | 0 | 0 | 112.5 | L9 L13 A32 V33 R38 L39 R40 Y63 Q66 L67 L70 M349 | L9-F36 HydrophobicContact CD1-CD1 4.1Å; L9-F36 HydrophobicContact CD1-CE1 3.83Å; L9-F36 HydrophobicContact CD2-CE1 4.26Å; L13-F36 HydrophobicContact CD1-CD1 3.7Å; L13-F36 HydrophobicContact CD1-CE1 4.07Å; A32-F36 PolarHBondContact O-N 3.29Å; V33-F36 WeakPolarHBondContact O-CB 3.48Å; V33-F36 PolarHBondContact O-N 3.34Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 3.05Å; F36-L39 WeakPolarHBondContact O-CB 3.42Å; F36-L39 PolarHBondContact O-N 3Å; F36-R40 PolarHBondContact O-N 3.39Å; F36-Y63 HydrophobicContact CD2-CD2 4.46Å; F36-Y63 HydrophobicContact CD2-CE2 4.22Å; F36-Y63 AromaticContact CE2-CD2 3.93Å; F36-Y63 HydrophobicContact CE2-CD2 3.93Å; F36-Y63 AromaticContact CE2-CE2 3.51Å; F36-Y63 HydrophobicContact CE2-CE2 3.51Å; F36-Y63 AromaticContact CZ-CE2 3.72Å; F36-Y63 HydrophobicContact CZ-CE2 3.72Å; F36-Q66 HydrophobicContact CD2-CB 4.35Å; F36-Q66 HydrophobicContact CD2-CG 3.57Å; F36-Q66 HydrophobicContact CE2-CB 4.09Å; F36-Q66 HydrophobicContact CE2-CG 3.64Å; F36-L67 HydrophobicContact CZ-CD2 3.78Å; F36-L67 HydrophobicContact CZ-CG 4.24Å; F36-L70 HydrophobicContact CD1-CD1 4.35Å; F36-L70 HydrophobicContact CD2-CD1 4.01Å; F36-L70 HydrophobicContact CE1-CD1 4.19Å; F36-L70 HydrophobicContact CE2-CD1 3.82Å; F36-L70 HydrophobicContact CG-CD1 4.25Å; F36-L70 HydrophobicContact CZ-CD1 3.92Å; F36-M349 HydrophobicContact CB-CE 3.4Å; F36-M349 HydrophobicContact CB-SD 4.33Å; F36-M349 HydrophobicContact CD2-CE 3.6Å; F36-M349 HydrophobicContact CG-CE 3.79Å |
| 37 | C | 94 | Very high | 86.3 | Confident | 30 Ų | 30 | 55 Ų | 55 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.9 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | V33 N34 L39 R40 S41 | V33-C37 PolarHBondContact O-N 3.42Å; V33-C37 PolarHBondContact O-SG 2.86Å; N34-C37 PolarHBondContact O-N 3.48Å; C37-L39 VanDerWaalsContact C-N 3.33Å; C37-L39 PolarHBondContact O-N 3.13Å; C37-R40 PolarHBondContact O-N 3.37Å; C37-S41 PolarHBondContact O-N 3.43Å; C37-S41 PolarHBondContact O-OG 3.4Å |
| 38 | R | 92.9 | Very high | 87.1 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.6 | -166.3 | -167.9 | 63.2 | 64.3 | -15.5 | 111.8 | N34 E35 F36 S41 K42 | N34-R38 WeakPolarHBondContact O-CB 3.4Å; N34-R38 PolarHBondContact O-N 2.74Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.46Å; E35-R38 IonicContact OE1-CZ 2.81Å; E35-R38 IonicContact OE1-NE 2.68Å; E35-R38 IonicContact OE1-NH2 2.91Å; E35-R38 PolarHBondContact OE1-NH2 3.11Å; E35-R38 IonicContact OE2-CZ 3.5Å; E35-R38 IonicContact OE2-NE 2.88Å; E35-R38 PolarHBondContact OE2-NE 3.06Å; E35-R38 IonicContact OE2-NH2 3.32Å; E35-R38 PolarHBondContact OE2-NH2 2.98Å; F36-R38 VanDerWaalsContact C-N 3.32Å; F36-R38 PolarHBondContact O-N 3.05Å; R38-S41 PolarHBondContact O-N 3.29Å; R38-K42 PolarHBondContact O-N 3.23Å |
| 39 | L | 92.9 | Very high | 87.7 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 177.2 | 179.6 | 61.6 | 0 | 0 | 0 | 111.1 | E35 F36 C37 S41 K42 A43 V62 Y63 Q66 | E35-L39 VanDerWaalsContact O-CB 3.31Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 PolarHBondContact O-N 3.04Å; F36-L39 WeakPolarHBondContact O-CB 3.42Å; F36-L39 PolarHBondContact O-N 3Å; C37-L39 VanDerWaalsContact C-N 3.33Å; C37-L39 PolarHBondContact O-N 3.13Å; L39-S41 PolarHBondContact O-N 2.85Å; L39-K42 PolarHBondContact O-N 2.96Å; L39-A43 VanDerWaalsContact O-CB 3.27Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 3.37Å; L39-V62 HydrophobicContact CD1-CB 4.22Å; L39-V62 HydrophobicContact CD1-CG1 3.98Å; L39-V62 HydrophobicContact CD2-CG1 3.9Å; L39-Y63 HydrophobicContact CD2-CD2 4.19Å; L39-Y63 HydrophobicContact CG-CD2 3.98Å; L39-Y63 HydrophobicContact CG-CG 4.35Å; L39-Q66 HydrophobicContact CD2-CB 4.13Å; L39-Q66 HydrophobicContact CD2-CG 4.47Å |
| 40 | R | 94.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 172.6 | -177.8 | 178.1 | -176.6 | -84.5 | -4.2 | 111.6 | S4 Y5 L9 F36 C37 K42 A43 C44 Y63 E109 | S4-R40 PolarHBondContact OG-NH2 3.36Å; Y5-R40 PolarHBondContact O-NH1 2.85Å; Y5-R40 PolarHBondContact O-NH2 3.17Å; L9-R40 HydrophobicContact CD1-CB 4.13Å; L9-R40 HydrophobicContact CD1-CG 4.31Å; F36-R40 PolarHBondContact O-N 3.39Å; C37-R40 PolarHBondContact O-N 3.37Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 2.93Å; R40-A43 CarbonylContact O-C 3.6Å; R40-A43 PolarHBondContact O-N 2.88Å; R40-A43 VanDerWaalsContact O-N 3.17Å; R40-C44 HydrophobicContact CG-CB 4.39Å; R40-C44 WeakPolarHBondContact O-CB 3.16Å; R40-C44 PolarHBondContact O-N 2.84Å; R40-Y63 HydrophobicContact CB-CD2 4.18Å; R40-Y63 HydrophobicContact CB-CE1 4.27Å; R40-Y63 HydrophobicContact CB-CE2 3.57Å; R40-Y63 WeakPolarHBondContact CD-OH 3.48Å; R40-Y63 HydrophobicContact CG-CE1 3.96Å; R40-Y63 HydrophobicContact CG-CE2 4.08Å; R40-Y63 WeakPolarHBondContact CG-OH 3.45Å; R40-E109 IonicContact CZ-OE1 3.8Å; R40-E109 IonicContact NE-OE1 2.73Å; R40-E109 PolarHBondContact NE-OE1 3.43Å; R40-E109 IonicContact NH2-OE1 2.95Å; R40-E109 PolarHBondContact NH2-OE1 2.92Å |
| 41 | S | 92.6 | Very high | 87.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | -179.2 | -64 | 0 | 0 | 0 | 0 | 111.4 | C37 R38 L39 A43 C45 V46 | C37-S41 PolarHBondContact O-N 3.43Å; C37-S41 PolarHBondContact O-OG 3.4Å; R38-S41 PolarHBondContact O-N 3.29Å; L39-S41 PolarHBondContact O-N 2.85Å; S41-A43 PolarHBondContact O-N 2.97Å; S41-C45 WeakPolarHBondContact O-CA 3.36Å; S41-C45 WeakPolarHBondContact O-CB 3.31Å; S41-C45 PolarHBondContact O-N 2.8Å; S41-V46 PolarHBondContact O-N 3.42Å |
| 42 | K | 91 | Very high | 87 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.6 | -74.4 | -164.4 | -179 | 173.2 | 0 | 113 | R38 L39 R40 H48 Y59 | R38-K42 PolarHBondContact O-N 3.23Å; L39-K42 PolarHBondContact O-N 2.96Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 2.93Å; K42-H48 PolarHBondContact O-NE2 3.15Å; K42-Y59 HydrophobicContact CD-CE1 4.5Å |
| 43 | A | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.7 | -32.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L39 R40 S41 R60 Y63 | L39-A43 VanDerWaalsContact O-CB 3.27Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 3.37Å; R40-A43 CarbonylContact O-C 3.6Å; R40-A43 PolarHBondContact O-N 2.88Å; R40-A43 VanDerWaalsContact O-N 3.17Å; S41-A43 PolarHBondContact O-N 2.97Å; A43-R60 HydrophobicContact CB-CG 4.17Å; A43-R60 WeakPolarHBondContact O-CG 3.38Å; A43-R60 PolarHBondContact O-NE 3.34Å; A43-R60 PolarHBondContact O-NH1 2.9Å; A43-R60 PolarHBondContact O-NH2 3.47Å; A43-R60 VanDerWaalsContact O-NH2 3.15Å; A43-Y63 HydrophobicContact CB-CD1 3.87Å; A43-Y63 HydrophobicContact CB-CG 3.92Å |
| 44 | C | 91.7 | Very high | 86.3 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -121.2 | -24.2 | -165.2 | -59.1 | 0 | 0 | 0 | 0 | 115.2 | R40 W87 | R40-C44 HydrophobicContact CG-CB 4.39Å; R40-C44 WeakPolarHBondContact O-CB 3.16Å; R40-C44 PolarHBondContact O-N 2.84Å; C44-W87 HydrophobicContact CB-CH2 3.96Å; C44-W87 HydrophobicContact CB-CZ2 4.32Å |
| 45 | C | 87.6 | Confident | 85.8 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -32 | -170.2 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | S41 | S41-C45 WeakPolarHBondContact O-CA 3.36Å; S41-C45 WeakPolarHBondContact O-CB 3.31Å; S41-C45 PolarHBondContact O-N 2.8Å |
| 46 | V | 83.7 | Confident | 85.5 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 132.4 | 178 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | S41 H48 | S41-V46 PolarHBondContact O-N 3.42Å; V46-H48 PolarHBondContact O-CD2 2.87Å; V46-H48 VanDerWaalsContact O-CD2 3.27Å |
| 47 | Q | 77.9 | Confident | 85.2 | Confident | 190 Ų | 190 | 64.2 Ų | 64.2 | 89% | 0.888 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 119.2 | 167.1 | -66 | -178.1 | -13.6 | 0 | 0 | 108.3 | ||
| 48 | H | 74.7 | Confident | 84.8 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 17% | 0.167 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 152.8 | 176.5 | -60.9 | -94.1 | 0 | 0 | 0 | 109.8 | K42 V46 E56 | K42-H48 PolarHBondContact O-NE2 3.15Å; V46-H48 PolarHBondContact O-CD2 2.87Å; V46-H48 VanDerWaalsContact O-CD2 3.27Å; H48-E56 HydrophobicContact CB-CB 4.19Å; H48-E56 HydrophobicContact CB-CG 4.37Å; H48-E56 VanDerWaalsContact CD2-CG 3.43Å; H48-E56 WeakPolarHBondContact CD2-CG 3.21Å; H48-E56 IonicContact CD2-OE1 3.42Å; H48-E56 IonicContact CD2-OE2 3.6Å; H48-E56 IonicContact CG-OE2 2.88Å |
| 49 | D | 78 | Confident | 84.5 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.4 | 170.6 | -162.5 | -15.4 | 0 | 0 | 0 | 109.6 | Q51 E52 | D49-Q51 PolarHBondContact O-N 3.28Å; D49-Q51 VanDerWaalsContact O-N 3.12Å; D49-E52 HydrophobicContact CB-CG 4.29Å; D49-E52 WeakPolarHBondContact O-CB 3.3Å; D49-E52 PolarHBondContact O-N 3.2Å |
| 50 | K | 71.6 | Confident | 84.4 | Confident | 202 Ų | 202 | 63 Ų | 63 | 88% | 0.878 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.3 | -29.7 | 179.1 | -68 | -176.7 | 179.2 | 178.9 | 0 | 112.2 | E52 | K50-E52 VanDerWaalsContact C-N 3.26Å; K50-E52 PolarHBondContact O-N 3.05Å |
| 51 | Q | 74.1 | Confident | 84.4 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 85% | 0.85 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -72.4 | -18.5 | 177.5 | -61.2 | -172.3 | -4.3 | 0 | 0 | 113.1 | D49 | D49-Q51 PolarHBondContact O-N 3.28Å; D49-Q51 VanDerWaalsContact O-N 3.12Å |
| 52 | E | 80.7 | Confident | 84.4 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -93.5 | 9.8 | -177.8 | -62.5 | -174.8 | 152.2 | 0 | 0 | 113.3 | D49 K50 S54 L55 E56 | D49-E52 HydrophobicContact CB-CG 4.29Å; D49-E52 WeakPolarHBondContact O-CB 3.3Å; D49-E52 PolarHBondContact O-N 3.2Å; K50-E52 VanDerWaalsContact C-N 3.26Å; K50-E52 PolarHBondContact O-N 3.05Å; E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.12Å; E52-S54 VanDerWaalsContact O-N 3.08Å; E52-L55 WeakPolarHBondContact O-CA 3.39Å; E52-L55 WeakPolarHBondContact O-CB 3.44Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-E56 PolarHBondContact O-N 3.32Å |
| 53 | G | 82 | Confident | 84.6 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.2 | -37.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L55 E56 I57 | G53-L55 PolarHBondContact O-N 3.37Å; G53-E56 PolarHBondContact O-N 3.47Å; G53-I57 VanDerWaalsContact O-CG1 3.25Å; G53-I57 WeakPolarHBondContact O-CG1 3.46Å; G53-I57 PolarHBondContact O-N 3.36Å |
| 54 | S | 82.7 | Confident | 84.8 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 113.3 | E52 L58 | E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.12Å; E52-S54 VanDerWaalsContact O-N 3.08Å; S54-L58 PolarHBondContact O-N 3.19Å |
| 55 | L | 83.4 | Confident | 84.9 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 177.2 | -179.6 | 63.9 | 0 | 0 | 0 | 110.7 | E52 G53 L58 Y59 | E52-L55 WeakPolarHBondContact O-CA 3.39Å; E52-L55 WeakPolarHBondContact O-CB 3.44Å; E52-L55 PolarHBondContact O-N 3.4Å; G53-L55 PolarHBondContact O-N 3.37Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.38Å; L55-Y59 HydrophobicContact CD1-CD2 4.36Å; L55-Y59 HydrophobicContact CD1-CE2 3.75Å; L55-Y59 HydrophobicContact CD2-CE2 3.83Å; L55-Y59 HydrophobicContact CG-CD2 4Å; L55-Y59 HydrophobicContact CG-CE2 3.46Å; L55-Y59 VanDerWaalsContact CG-CE2 3.46Å; L55-Y59 WeakPolarHBondContact O-CD2 3.32Å; L55-Y59 PolarHBondContact O-N 3.15Å |
| 56 | E | 85.1 | Confident | 85.2 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.9 | -179 | -173.7 | 175.1 | 0 | 0 | 111.6 | H48 E52 G53 L58 Y59 R60 L120 | H48-E56 HydrophobicContact CB-CB 4.19Å; H48-E56 HydrophobicContact CB-CG 4.37Å; H48-E56 VanDerWaalsContact CD2-CG 3.43Å; H48-E56 WeakPolarHBondContact CD2-CG 3.21Å; H48-E56 IonicContact CD2-OE1 3.42Å; H48-E56 IonicContact CD2-OE2 3.6Å; H48-E56 IonicContact CG-OE2 2.88Å; E52-E56 PolarHBondContact O-N 3.32Å; G53-E56 PolarHBondContact O-N 3.47Å; E56-L58 PolarHBondContact O-N 3Å; E56-Y59 PolarHBondContact O-N 2.99Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.16Å; E56-R60 IonicContact OE1-CZ 3.17Å; E56-R60 VanDerWaalsContact OE1-CZ 3.25Å; E56-R60 IonicContact OE1-NE 2.58Å; E56-R60 PolarHBondContact OE1-NE 3.31Å; E56-R60 IonicContact OE1-NH2 2.73Å; E56-R60 PolarHBondContact OE1-NH2 3.28Å; E56-L120 HydrophobicContact CB-CD2 3.73Å; E56-L120 HydrophobicContact CG-CD2 3.42Å; E56-L120 VanDerWaalsContact CG-CD2 3.42Å |
| 57 | I | 86.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.8 | -45.3 | 173.1 | -71.4 | 164.5 | 0 | 0 | 0 | 110.2 | G53 R60 F61 I117 L120 Q121 V124 L142 | G53-I57 VanDerWaalsContact O-CG1 3.25Å; G53-I57 WeakPolarHBondContact O-CG1 3.46Å; G53-I57 PolarHBondContact O-N 3.36Å; I57-R60 PolarHBondContact O-N 3.39Å; I57-F61 HydrophobicContact CG2-CD2 3.59Å; I57-F61 HydrophobicContact CG2-CE2 3.32Å; I57-F61 HydrophobicContact CG2-CZ 4.21Å; I57-F61 WeakPolarHBondContact O-CD2 3.48Å; I57-F61 PolarHBondContact O-N 3.47Å; I57-I117 HydrophobicContact CG2-CG2 4.38Å; I57-L120 HydrophobicContact CB-CD2 4.38Å; I57-L120 HydrophobicContact CD1-CG 4.24Å; I57-L120 HydrophobicContact CG1-CB 4.23Å; I57-L120 HydrophobicContact CG1-CD2 3.51Å; I57-L120 HydrophobicContact CG1-CG 3.65Å; I57-Q121 HydrophobicContact CD1-CG 3.83Å; I57-Q121 HydrophobicContact CG1-CG 4.23Å; I57-Q121 HydrophobicContact CG2-CG 4.42Å; I57-V124 HydrophobicContact CD1-CB 4.4Å; I57-V124 HydrophobicContact CD1-CG2 4.01Å; I57-L142 HydrophobicContact CD1-CD2 4.45Å |
| 58 | L | 85.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | -179.3 | -179.2 | 64.4 | 0 | 0 | 0 | 112.3 | S54 L55 E56 R60 F61 V62 S343 K345 | S54-L58 PolarHBondContact O-N 3.19Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.38Å; E56-L58 PolarHBondContact O-N 3Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.42Å; L58-F61 PolarHBondContact O-N 3.41Å; L58-V62 HydrophobicContact CD1-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.09Å; L58-S343 VanDerWaalsContact CD1-OG 3.27Å; L58-S343 WeakPolarHBondContact CD1-OG 3.43Å; L58-K345 HydrophobicContact CD1-CB 4.36Å; L58-K345 HydrophobicContact CD1-CG 4.25Å; L58-K345 HydrophobicContact CD2-CD 3.82Å; L58-K345 HydrophobicContact CD2-CG 4.25Å |
| 59 | Y | 87.6 | Confident | 87.4 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.6 | -73.8 | -50.6 | 0 | 0 | 0 | 112.2 | K42 L55 E56 V62 Y63 | K42-Y59 HydrophobicContact CD-CE1 4.5Å; L55-Y59 HydrophobicContact CD1-CD2 4.36Å; L55-Y59 HydrophobicContact CD1-CE2 3.75Å; L55-Y59 HydrophobicContact CD2-CE2 3.83Å; L55-Y59 HydrophobicContact CG-CD2 4Å; L55-Y59 HydrophobicContact CG-CE2 3.46Å; L55-Y59 VanDerWaalsContact CG-CE2 3.46Å; L55-Y59 WeakPolarHBondContact O-CD2 3.32Å; L55-Y59 PolarHBondContact O-N 3.15Å; E56-Y59 PolarHBondContact O-N 2.99Å; Y59-V62 PolarHBondContact O-N 2.97Å; Y59-Y63 PolarHBondContact O-N 2.91Å |
| 60 | R | 90.5 | Very high | 88 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | 176.9 | -68 | 174.9 | 177.5 | -73.2 | -6.5 | 111.9 | A43 E56 I57 L58 Y63 Y64 N116 I117 | A43-R60 HydrophobicContact CB-CG 4.17Å; A43-R60 WeakPolarHBondContact O-CG 3.38Å; A43-R60 PolarHBondContact O-NE 3.34Å; A43-R60 PolarHBondContact O-NH1 2.9Å; A43-R60 PolarHBondContact O-NH2 3.47Å; A43-R60 VanDerWaalsContact O-NH2 3.15Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.16Å; E56-R60 IonicContact OE1-CZ 3.17Å; E56-R60 VanDerWaalsContact OE1-CZ 3.25Å; E56-R60 IonicContact OE1-NE 2.58Å; E56-R60 PolarHBondContact OE1-NE 3.31Å; E56-R60 IonicContact OE1-NH2 2.73Å; E56-R60 PolarHBondContact OE1-NH2 3.28Å; I57-R60 PolarHBondContact O-N 3.39Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.42Å; R60-Y63 PolarHBondContact O-N 2.94Å; R60-Y64 WeakPolarHBondContact O-CB 3.3Å; R60-Y64 PolarHBondContact O-N 3.03Å; R60-N116 PolarHBondContact NH1-ND2 3.45Å; R60-I117 HydrophobicContact CB-CD1 3.9Å; R60-I117 HydrophobicContact CB-CG1 3.44Å; R60-I117 VanDerWaalsContact CB-CG1 3.44Å; R60-I117 HydrophobicContact CG-CG1 4.37Å |
| 61 | F | 93.7 | Very high | 88.8 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 173.7 | -77.1 | -43.7 | 0 | 0 | 0 | 112.9 | I57 L58 Y63 Y64 D65 I117 M342 | I57-F61 HydrophobicContact CG2-CD2 3.59Å; I57-F61 HydrophobicContact CG2-CE2 3.32Å; I57-F61 HydrophobicContact CG2-CZ 4.21Å; I57-F61 WeakPolarHBondContact O-CD2 3.48Å; I57-F61 PolarHBondContact O-N 3.47Å; L58-F61 PolarHBondContact O-N 3.41Å; F61-Y63 VanDerWaalsContact C-N 3.27Å; F61-Y63 PolarHBondContact O-N 2.96Å; F61-Y64 PolarHBondContact O-N 3.17Å; F61-D65 PolarHBondContact O-N 3.4Å; F61-I117 HydrophobicContact CD1-CD1 3.6Å; F61-I117 HydrophobicContact CD1-CG1 4.4Å; F61-I117 HydrophobicContact CD1-CG2 4.12Å; F61-I117 HydrophobicContact CE1-CB 4.37Å; F61-I117 HydrophobicContact CE1-CD1 3.87Å; F61-I117 HydrophobicContact CE1-CG1 4.45Å; F61-I117 HydrophobicContact CE1-CG2 3.45Å; F61-I117 VanDerWaalsContact CE1-CG2 3.45Å; F61-I117 HydrophobicContact CE2-CG2 4.13Å; F61-I117 HydrophobicContact CG-CD1 4.41Å; F61-I117 HydrophobicContact CZ-CG2 3.46Å; F61-I117 VanDerWaalsContact CZ-CG2 3.46Å; F61-M342 HydrophobicContact CB-CB 3.97Å; F61-M342 HydrophobicContact CD1-CB 3.27Å; F61-M342 HydrophobicContact CD1-CE 3.95Å; F61-M342 HydrophobicContact CD1-CG 3.96Å; F61-M342 HydrophobicContact CE1-CB 3.79Å; F61-M342 HydrophobicContact CE1-CE 3.23Å; F61-M342 HydrophobicContact CE1-CG 4.23Å; F61-M342 HydrophobicContact CG-CB 3.75Å; F61-M342 HydrophobicContact CZ-CE 3.92Å |
| 62 | V | 92.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | L39 L58 Y59 Q66 S343 K345 | L39-V62 HydrophobicContact CD1-CB 4.22Å; L39-V62 HydrophobicContact CD1-CG1 3.98Å; L39-V62 HydrophobicContact CD2-CG1 3.9Å; L58-V62 HydrophobicContact CD1-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.09Å; Y59-V62 PolarHBondContact O-N 2.97Å; V62-Q66 WeakPolarHBondContact O-CB 3.41Å; V62-Q66 PolarHBondContact O-N 2.96Å; V62-S343 WeakPolarHBondContact CG2-OG 3.36Å; V62-K345 HydrophobicContact CG2-CB 4.48Å |
| 63 | Y | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.3 | -177.7 | -126.6 | 0 | 0 | 0 | 112.9 | F36 L39 R40 A43 Y59 R60 F61 Q66 L67 E109 V113 | F36-Y63 HydrophobicContact CD2-CD2 4.46Å; F36-Y63 HydrophobicContact CD2-CE2 4.22Å; F36-Y63 AromaticContact CE2-CD2 3.93Å; F36-Y63 HydrophobicContact CE2-CD2 3.93Å; F36-Y63 AromaticContact CE2-CE2 3.51Å; F36-Y63 HydrophobicContact CE2-CE2 3.51Å; F36-Y63 AromaticContact CZ-CE2 3.72Å; F36-Y63 HydrophobicContact CZ-CE2 3.72Å; L39-Y63 HydrophobicContact CD2-CD2 4.19Å; L39-Y63 HydrophobicContact CG-CD2 3.98Å; L39-Y63 HydrophobicContact CG-CG 4.35Å; R40-Y63 HydrophobicContact CB-CD2 4.18Å; R40-Y63 HydrophobicContact CB-CE1 4.27Å; R40-Y63 HydrophobicContact CB-CE2 3.57Å; R40-Y63 WeakPolarHBondContact CD-OH 3.48Å; R40-Y63 HydrophobicContact CG-CE1 3.96Å; R40-Y63 HydrophobicContact CG-CE2 4.08Å; R40-Y63 WeakPolarHBondContact CG-OH 3.45Å; A43-Y63 HydrophobicContact CB-CD1 3.87Å; A43-Y63 HydrophobicContact CB-CG 3.92Å; Y59-Y63 PolarHBondContact O-N 2.91Å; R60-Y63 PolarHBondContact O-N 2.94Å; F61-Y63 VanDerWaalsContact C-N 3.27Å; F61-Y63 PolarHBondContact O-N 2.96Å; Y63-Q66 PolarHBondContact O-N 3.12Å; Y63-L67 HydrophobicContact CD1-CD1 4.13Å; Y63-L67 HydrophobicContact CE1-CD1 3.65Å; Y63-L67 HydrophobicContact CE1-CG 4.38Å; Y63-L67 HydrophobicContact CE2-CD1 4.25Å; Y63-L67 HydrophobicContact CE2-CD2 4.45Å; Y63-L67 HydrophobicContact CE2-CG 4.08Å; Y63-L67 PolarHBondContact O-N 2.96Å; Y63-E109 HydrophobicContact CE1-CG 4.18Å; Y63-E109 PolarHBondContact OH-OE1 2.89Å; Y63-V113 HydrophobicContact CD1-CG1 4.31Å; Y63-V113 HydrophobicContact CD1-CG2 3.76Å; Y63-V113 HydrophobicContact CE1-CG2 3.7Å |
| 64 | Y | 96 | Very high | 90.3 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 176.3 | 174.2 | -93.2 | 0 | 0 | 0 | 112.1 | R60 F61 Q66 L67 V68 K110 L114 M342 | R60-Y64 WeakPolarHBondContact O-CB 3.3Å; R60-Y64 PolarHBondContact O-N 3.03Å; F61-Y64 PolarHBondContact O-N 3.17Å; Y64-Q66 PolarHBondContact O-N 3.49Å; Y64-L67 WeakPolarHBondContact O-CB 3.38Å; Y64-L67 PolarHBondContact O-N 3.39Å; Y64-L67 VanDerWaalsContact O-N 3.1Å; Y64-V68 HydrophobicContact CD1-CG2 4.25Å; Y64-V68 HydrophobicContact CE1-CG2 3.74Å; Y64-V68 HydrophobicContact CE2-CG2 4.28Å; Y64-V68 WeakPolarHBondContact O-CG2 3.45Å; Y64-V68 PolarHBondContact O-N 3.5Å; Y64-K110 HydrophobicContact CD2-CB 4.22Å; Y64-K110 HydrophobicContact CD2-CG 4.13Å; Y64-K110 HydrophobicContact CE2-CB 3.91Å; Y64-K110 HydrophobicContact CE2-CD 4.1Å; Y64-K110 HydrophobicContact CE2-CG 3.97Å; Y64-L114 HydrophobicContact CD1-CD2 4.25Å; Y64-L114 HydrophobicContact CD2-CD1 4.32Å; Y64-L114 HydrophobicContact CD2-CD2 3.6Å; Y64-L114 HydrophobicContact CD2-CG 3.68Å; Y64-L114 HydrophobicContact CE1-CD2 4.19Å; Y64-L114 HydrophobicContact CE2-CD1 3.54Å; Y64-L114 HydrophobicContact CE2-CD2 3.53Å; Y64-L114 HydrophobicContact CE2-CG 3.41Å; Y64-L114 VanDerWaalsContact CE2-CG 3.41Å; Y64-L114 HydrophobicContact CG-CD2 3.97Å; Y64-M342 HydrophobicContact CD1-CB 4.47Å; Y64-M342 HydrophobicContact CD1-CG 3.57Å; Y64-M342 HydrophobicContact CE1-CG 3.7Å |
| 65 | D | 94.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 179.1 | -69 | -24.9 | 0 | 0 | 0 | 110.8 | F61 V68 A69 M342 S343 F346 | F61-D65 PolarHBondContact O-N 3.4Å; D65-V68 PolarHBondContact O-N 3.4Å; D65-A69 WeakPolarHBondContact O-CB 3.32Å; D65-A69 PolarHBondContact O-N 3.23Å; D65-M342 WeakPolarHBondContact OD1-CB 3.31Å; D65-M342 WeakPolarHBondContact OD1-CG 3.36Å; D65-M342 PolarHBondContact OD1-N 2.91Å; D65-M342 PolarHBondContact OD2-N 3.24Å; D65-M342 VanDerWaalsContact OD2-N 3.16Å; D65-S343 VanDerWaalsContact OD2-CB 3.29Å; D65-S343 WeakPolarHBondContact OD2-CB 3.39Å; D65-S343 PolarHBondContact OD2-N 2.86Å; D65-F346 HydrophobicContact CB-CB 4.2Å; D65-F346 HydrophobicContact CB-CD1 4.26Å; D65-F346 HydrophobicContact CB-CD2 3.34Å; D65-F346 HydrophobicContact CB-CE2 3.7Å; D65-F346 HydrophobicContact CB-CG 3.66Å; D65-F346 HydrophobicContact CB-CZ 4.28Å |
| 66 | Q | 94.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | 175.4 | -167.7 | 59.7 | 58 | 0 | 0 | 113 | F36 L39 V62 Y63 Y64 V68 A69 L70 F346 M349 | F36-Q66 HydrophobicContact CD2-CB 4.35Å; F36-Q66 HydrophobicContact CD2-CG 3.57Å; F36-Q66 HydrophobicContact CE2-CB 4.09Å; F36-Q66 HydrophobicContact CE2-CG 3.64Å; L39-Q66 HydrophobicContact CD2-CB 4.13Å; L39-Q66 HydrophobicContact CD2-CG 4.47Å; V62-Q66 WeakPolarHBondContact O-CB 3.41Å; V62-Q66 PolarHBondContact O-N 2.96Å; Y63-Q66 PolarHBondContact O-N 3.12Å; Y64-Q66 PolarHBondContact O-N 3.49Å; Q66-V68 VanDerWaalsContact C-N 3.31Å; Q66-V68 PolarHBondContact O-N 2.85Å; Q66-A69 PolarHBondContact O-N 3.15Å; Q66-L70 HydrophobicContact CG-CD1 3.97Å; Q66-L70 HydrophobicContact CG-CG 4.42Å; Q66-L70 VanDerWaalsContact NE2-CG 3.27Å; Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.24Å; Q66-L70 PolarHBondContact O-N 3.33Å; Q66-F346 HydrophobicContact CB-CE2 4.24Å; Q66-M349 HydrophobicContact CG-CE 3.38Å |
| 67 | L | 95 | Very high | 92 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 171 | -77.8 | 165.1 | 0 | 0 | 0 | 111.3 | F36 Y63 Y64 E71 L76 E109 K110 | F36-L67 HydrophobicContact CZ-CD2 3.78Å; F36-L67 HydrophobicContact CZ-CG 4.24Å; Y63-L67 HydrophobicContact CD1-CD1 4.13Å; Y63-L67 HydrophobicContact CE1-CD1 3.65Å; Y63-L67 HydrophobicContact CE1-CG 4.38Å; Y63-L67 HydrophobicContact CE2-CD1 4.25Å; Y63-L67 HydrophobicContact CE2-CD2 4.45Å; Y63-L67 HydrophobicContact CE2-CG 4.08Å; Y63-L67 PolarHBondContact O-N 2.96Å; Y64-L67 WeakPolarHBondContact O-CB 3.38Å; Y64-L67 PolarHBondContact O-N 3.39Å; Y64-L67 VanDerWaalsContact O-N 3.1Å; L67-E71 PolarHBondContact O-N 2.94Å; L67-L76 HydrophobicContact CD2-CD1 3.78Å; L67-E109 HydrophobicContact CD1-CB 4.45Å; L67-E109 HydrophobicContact CD1-CG 3.81Å; L67-E109 HydrophobicContact CD2-CG 4.39Å; L67-K110 HydrophobicContact CB-CD 4.18Å; L67-K110 HydrophobicContact CB-CG 3.76Å; L67-K110 HydrophobicContact CD1-CG 3.93Å; L67-K110 HydrophobicContact CG-CG 4.43Å |
| 68 | V | 94 | Very high | 92.4 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 177.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | Y64 D65 Q66 L70 E71 K110 | Y64-V68 HydrophobicContact CD1-CG2 4.25Å; Y64-V68 HydrophobicContact CE1-CG2 3.74Å; Y64-V68 HydrophobicContact CE2-CG2 4.28Å; Y64-V68 WeakPolarHBondContact O-CG2 3.45Å; Y64-V68 PolarHBondContact O-N 3.5Å; D65-V68 PolarHBondContact O-N 3.4Å; Q66-V68 VanDerWaalsContact C-N 3.31Å; Q66-V68 PolarHBondContact O-N 2.85Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 3.29Å; V68-E71 PolarHBondContact O-N 3.34Å; V68-K110 HydrophobicContact CG2-CD 3.79Å |
| 69 | A | 92 | Very high | 92.8 | Very high | 50 Ų | 50 | 40.6 Ų | 40.6 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.1 | -30.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D65 Q66 F346 | D65-A69 WeakPolarHBondContact O-CB 3.32Å; D65-A69 PolarHBondContact O-N 3.23Å; Q66-A69 PolarHBondContact O-N 3.15Å; A69-F346 HydrophobicContact CB-CE2 4.48Å; A69-F346 HydrophobicContact CB-CZ 3.67Å |
| 70 | L | 90.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -84.5 | -19.1 | 179.8 | -67.4 | 173.8 | 0 | 0 | 0 | 113.7 | F36 Q66 V68 G72 K73 L74 M349 | F36-L70 HydrophobicContact CD1-CD1 4.35Å; F36-L70 HydrophobicContact CD2-CD1 4.01Å; F36-L70 HydrophobicContact CE1-CD1 4.19Å; F36-L70 HydrophobicContact CE2-CD1 3.82Å; F36-L70 HydrophobicContact CG-CD1 4.25Å; F36-L70 HydrophobicContact CZ-CD1 3.92Å; Q66-L70 HydrophobicContact CG-CD1 3.97Å; Q66-L70 HydrophobicContact CG-CG 4.42Å; Q66-L70 VanDerWaalsContact NE2-CG 3.27Å; Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.24Å; Q66-L70 PolarHBondContact O-N 3.33Å; V68-L70 VanDerWaalsContact C-N 3.3Å; V68-L70 PolarHBondContact O-N 3.29Å; L70-G72 PolarHBondContact O-N 3.19Å; L70-K73 PolarHBondContact O-N 3.11Å; L70-L74 HydrophobicContact CB-CB 4.44Å; L70-L74 HydrophobicContact CD2-CD1 4.01Å; L70-L74 PolarHBondContact O-N 2.84Å; L70-M349 HydrophobicContact CD1-CE 4.32Å |
| 71 | E | 89.3 | Confident | 93.4 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -36.3 | -169.5 | -173.5 | 167.4 | -142.2 | 0 | 0 | 114 | L67 V68 K110 | L67-E71 PolarHBondContact O-N 2.94Å; V68-E71 PolarHBondContact O-N 3.34Å; E71-K110 IonicContact OE1-NZ 3.57Å; E71-K110 PolarHBondContact OE1-NZ 2.99Å; E71-K110 IonicContact OE2-NZ 2.78Å; E71-K110 PolarHBondContact OE2-NZ 3.24Å |
| 72 | G | 87 | Confident | 93.5 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 81% | 0.814 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L70 | L70-G72 PolarHBondContact O-N 3.19Š|
| 73 | K | 89.9 | Confident | 93.7 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -44.1 | -178.7 | -64.2 | 179.4 | 177.9 | 179.4 | 0 | 111.8 | Y21 L70 P75 S350 | Y21-K73 PolarHBondContact OH-O 2.86Å; L70-K73 PolarHBondContact O-N 3.11Å; K73-P75 VanDerWaalsContact C-CD 3.47Å; K73-P75 VanDerWaalsContact O-CD 3.29Å; K73-P75 WeakPolarHBondContact O-CD 3.29Å; K73-S350 PolarHBondContact NZ-OXT 3.41Å |
| 74 | L | 91.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -121.4 | 76.6 | -176.7 | -58 | 177.2 | 0 | 0 | 0 | 108.8 | L13 Y16 I17 Y21 L70 L76 I81 | L13-L74 HydrophobicContact CD2-CB 4.06Å; L13-L74 HydrophobicContact CD2-CD1 4.03Å; L13-L74 HydrophobicContact CD2-CG 4.49Å; Y16-L74 HydrophobicContact CD1-CD2 3.93Å; Y16-L74 HydrophobicContact CE1-CD2 4.33Å; I17-L74 HydrophobicContact CD1-CD1 4.41Å; I17-L74 HydrophobicContact CD1-CD2 4.24Å; I17-L74 HydrophobicContact CG1-CD2 3.73Å; Y21-L74 HydrophobicContact CE2-CD2 4.38Å; L70-L74 HydrophobicContact CB-CB 4.44Å; L70-L74 HydrophobicContact CD2-CD1 4.01Å; L70-L74 PolarHBondContact O-N 2.84Å; L74-L76 PolarHBondContact O-N 3.18Å; L74-I81 HydrophobicContact CB-CD1 3.93Å; L74-I81 HydrophobicContact CD2-CD1 4.4Å |
| 75 | P | 93.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | trans | -71.2 | 103.1 | -173.8 | 28.3 | -34.8 | 0 | 0 | 0 | 111.2 | K73 T77 Q80 I81 | K73-P75 VanDerWaalsContact C-CD 3.47Å; K73-P75 VanDerWaalsContact O-CD 3.29Å; K73-P75 WeakPolarHBondContact O-CD 3.29Å; P75-T77 HydrophobicContact CB-CG2 4.24Å; P75-T77 PolarHBondContact O-N 3.2Å; P75-Q80 HydrophobicContact CG-CB 3.93Å; P75-Q80 HydrophobicContact CG-CG 4.23Å; P75-I81 WeakPolarHBondContact O-CB 3.25Å; P75-I81 WeakPolarHBondContact O-CG1 3.44Å; P75-I81 PolarHBondContact O-N 3.02Å | ||
| 76 | L | 96.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | trans | -72.2 | 73 | 175.4 | -66.1 | 171 | 0 | 0 | 0 | 111 | L9 L13 L67 L74 I81 V83 F85 G106 | L9-L76 HydrophobicContact CD2-CD2 4.2Å; L13-L76 HydrophobicContact CD2-CD2 4.2Å; L67-L76 HydrophobicContact CD2-CD1 3.78Å; L74-L76 PolarHBondContact O-N 3.18Å; L76-I81 HydrophobicContact CD2-CB 4.23Å; L76-I81 HydrophobicContact CD2-CG2 3.93Å; L76-V83 HydrophobicContact CD2-CB 4.42Å; L76-V83 HydrophobicContact CD2-CG2 3.95Å; L76-F85 HydrophobicContact CD1-CE2 4.37Å; L76-F85 HydrophobicContact CD1-CZ 4.06Å; L76-G106 PolarHBondContact O-N 3.48Å | ||
| 77 | T | 96 | Very high | 93.9 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -123.5 | 159.7 | -178.8 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | P75 S79 Q80 I81 | P75-T77 HydrophobicContact CB-CG2 4.24Å; P75-T77 PolarHBondContact O-N 3.2Å; T77-S79 PolarHBondContact O-N 3.12Å; T77-S79 VanDerWaalsContact O-N 3.15Å; T77-S79 PolarHBondContact OG1-OG 3.17Å; T77-Q80 PolarHBondContact O-N 3.05Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.48Å; T77-Q80 PolarHBondContact OG1-N 3.24Å; T77-Q80 PolarHBondContact OG1-OE1 2.88Å; T77-I81 CarbonylContact O-C 3.13Å; T77-I81 PolarHBondContact O-N 3.3Å; T77-I81 VanDerWaalsContact O-N 3.14Å |
| 78 | P | 94.5 | Very high | 93.9 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.7 | 178.3 | -22.5 | 33.5 | 0 | 0 | 0 | 114.1 | C104 | P78-C104 HydrophobicContact CB-CB 4.43Å; P78-C104 WeakPolarHBondContact CD-O 3.27Å; P78-C104 HydrophobicContact CG-CB 4.23Å; P78-C104 WeakPolarHBondContact CG-O 3.44Å |
| 79 | S | 94.9 | Very high | 93.8 | Very high | 108 Ų | 108 | 50 Ų | 50 | 76% | 0.755 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -21.5 | -176 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | T77 | T77-S79 PolarHBondContact O-N 3.12Å; T77-S79 VanDerWaalsContact O-N 3.15Å; T77-S79 PolarHBondContact OG1-OG 3.17Å |
| 80 | Q | 94.7 | Very high | 93.8 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -57.5 | -174.7 | -68.2 | 171.8 | -62.7 | 0 | 0 | 112.1 | Y16 P75 T77 | Y16-Q80 HydrophobicContact CE2-CB 3.93Å; Y16-Q80 HydrophobicContact CE2-CG 4.47Å; P75-Q80 HydrophobicContact CG-CB 3.93Å; P75-Q80 HydrophobicContact CG-CG 4.23Å; T77-Q80 PolarHBondContact O-N 3.05Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.48Å; T77-Q80 PolarHBondContact OG1-N 3.24Å; T77-Q80 PolarHBondContact OG1-OE1 2.88Å |
| 81 | I | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -130.5 | 78.7 | 179.9 | -45.3 | -178.6 | 0 | 0 | 0 | 109 | P12 L13 Y16 L74 P75 L76 T77 V83 | P12-I81 HydrophobicContact CB-CG2 3.78Å; L13-I81 HydrophobicContact CD2-CD1 4.04Å; L13-I81 HydrophobicContact CD2-CG2 4.16Å; Y16-I81 HydrophobicContact CD1-CD1 3.62Å; Y16-I81 HydrophobicContact CD1-CG1 4.12Å; Y16-I81 HydrophobicContact CD2-CD1 4.03Å; Y16-I81 HydrophobicContact CD2-CG1 3.56Å; Y16-I81 HydrophobicContact CE1-CD1 4.15Å; Y16-I81 HydrophobicContact CE2-CG1 4.12Å; Y16-I81 HydrophobicContact CG-CD1 3.53Å; Y16-I81 HydrophobicContact CG-CG1 3.55Å; L74-I81 HydrophobicContact CB-CD1 3.93Å; L74-I81 HydrophobicContact CD2-CD1 4.4Å; P75-I81 WeakPolarHBondContact O-CB 3.25Å; P75-I81 WeakPolarHBondContact O-CG1 3.44Å; P75-I81 PolarHBondContact O-N 3.02Å; L76-I81 HydrophobicContact CD2-CB 4.23Å; L76-I81 HydrophobicContact CD2-CG2 3.93Å; T77-I81 CarbonylContact O-C 3.13Å; T77-I81 PolarHBondContact O-N 3.3Å; T77-I81 VanDerWaalsContact O-N 3.14Å; I81-V83 HydrophobicContact CG2-CG2 4.04Å; I81-V83 PolarHBondContact O-N 3.09Å |
| 82 | P | 95.3 | Very high | 92.6 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -75.9 | 88.9 | -171.9 | 29.8 | -34.9 | 0 | 0 | 0 | 111.6 | ||||
| 83 | V | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -103.8 | 114.6 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | V7 L9 P12 L76 I81 F85 C104 | V7-V83 HydrophobicContact CG1-CG1 3.29Å; L9-V83 HydrophobicContact CD2-CB 4.3Å; L9-V83 HydrophobicContact CD2-CG1 3.75Å; L9-V83 HydrophobicContact CD2-CG2 4Å; L9-V83 HydrophobicContact CG-CG1 4.25Å; P12-V83 HydrophobicContact CB-CG2 3.82Å; P12-V83 HydrophobicContact CG-CG2 4.03Å; L76-V83 HydrophobicContact CD2-CB 4.42Å; L76-V83 HydrophobicContact CD2-CG2 3.95Å; I81-V83 HydrophobicContact CG2-CG2 4.04Å; I81-V83 PolarHBondContact O-N 3.09Å; V83-F85 HydrophobicContact CB-CE2 4.02Å; V83-F85 HydrophobicContact CB-CZ 4.01Å; V83-F85 HydrophobicContact CG1-CD1 4.26Å; V83-F85 HydrophobicContact CG1-CD2 4.48Å; V83-F85 HydrophobicContact CG1-CE1 3.77Å; V83-F85 HydrophobicContact CG1-CE2 4.02Å; V83-F85 HydrophobicContact CG1-CZ 3.64Å; V83-F85 VanDerWaalsContact O-CD2 3.29Å; V83-F85 WeakPolarHBondContact O-CD2 3.33Å; V83-F85 PolarHBondContact O-N 3.44Å; V83-C104 VanDerWaalsContact O-CA 3.29Å; V83-C104 WeakPolarHBondContact O-CA 3.48Å | ||
| 84 | P | 96.5 | Very high | 90.2 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | trans | -79 | 91.4 | -174.8 | 31.5 | -35 | 0 | 0 | 0 | 112.1 | K86 T102 | P84-K86 PolarHBondContact O-N 3.37Å; P84-T102 HydrophobicContact CB-CG2 3.77Å | ||
| 85 | F | 97 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116.2 | 175.9 | -61.7 | -71.6 | 0 | 0 | 0 | 110.7 | V7 L9 L76 V83 T102 I103 S105 Y108 E109 | V7-F85 HydrophobicContact CG1-CD1 4.43Å; L9-F85 HydrophobicContact CD2-CE1 4.07Å; L9-F85 HydrophobicContact CD2-CZ 3.9Å; L9-F85 HydrophobicContact CG-CE1 4.43Å; L76-F85 HydrophobicContact CD1-CE2 4.37Å; L76-F85 HydrophobicContact CD1-CZ 4.06Å; V83-F85 HydrophobicContact CB-CE2 4.02Å; V83-F85 HydrophobicContact CB-CZ 4.01Å; V83-F85 HydrophobicContact CG1-CD1 4.26Å; V83-F85 HydrophobicContact CG1-CD2 4.48Å; V83-F85 HydrophobicContact CG1-CE1 3.77Å; V83-F85 HydrophobicContact CG1-CE2 4.02Å; V83-F85 HydrophobicContact CG1-CZ 3.64Å; V83-F85 VanDerWaalsContact O-CD2 3.29Å; V83-F85 WeakPolarHBondContact O-CD2 3.33Å; V83-F85 PolarHBondContact O-N 3.44Å; F85-T102 VanDerWaalsContact O-CA 3.26Å; F85-T102 WeakPolarHBondContact O-CA 3.2Å; F85-I103 PolarHBondContact N-O 2.75Å; F85-I103 PolarHBondContact O-N 3.44Å; F85-S105 WeakPolarHBondContact CD2-O 2.89Å; F85-Y108 HydrophobicContact CB-CD1 4.21Å; F85-Y108 HydrophobicContact CB-CE1 4.42Å; F85-Y108 WeakPolarHBondContact O-CE1 3.39Å; F85-E109 WeakPolarHBondContact CB-OE2 3.31Å; F85-E109 HydrophobicContact CD1-CB 4.13Å; F85-E109 HydrophobicContact CD1-CG 3.94Å; F85-E109 WeakPolarHBondContact CD1-OE2 3.28Å; F85-E109 HydrophobicContact CD2-CB 3.93Å; F85-E109 HydrophobicContact CE1-CB 4.22Å; F85-E109 HydrophobicContact CE1-CG 3.89Å; F85-E109 HydrophobicContact CE2-CB 4.04Å; F85-E109 HydrophobicContact CG-CB 3.97Å; F85-E109 HydrophobicContact CG-CG 4.3Å; F85-E109 VanDerWaalsContact CG-OE2 3.31Å; F85-E109 WeakPolarHBondContact CG-OE2 3.47Å; F85-E109 HydrophobicContact CZ-CB 4.17Å; F85-E109 HydrophobicContact CZ-CG 4.2Å |
| 86 | K | 95.7 | Very high | 87.3 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.2 | 177.1 | -175.6 | 170.9 | -175.9 | 174.7 | 0 | 111.2 | S4 Y5 P84 T102 | S4-K86 PolarHBondContact OG-O 2.65Å; Y5-K86 HydrophobicContact CD2-CB 4.21Å; Y5-K86 HydrophobicContact CD2-CD 3.94Å; Y5-K86 HydrophobicContact CD2-CG 3.83Å; Y5-K86 HydrophobicContact CE2-CD 4.14Å; Y5-K86 HydrophobicContact CE2-CG 4.15Å; P84-K86 PolarHBondContact O-N 3.37Å; K86-T102 HydrophobicContact CB-CG2 4.43Å; K86-T102 WeakPolarHBondContact CB-OG1 3.36Å; K86-T102 VanDerWaalsContact CG-OG1 3.26Å; K86-T102 WeakPolarHBondContact CG-OG1 2.94Å |
| 87 | W | 96 | Very high | 85.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.8 | 174.6 | -68.1 | 84.4 | 0 | 0 | 0 | 111.5 | K2 C44 S100 L101 Y108 E109 C112 V113 N116 | K2-W87 HydrophobicContact CB-CE3 3.62Å; K2-W87 HydrophobicContact CB-CZ3 4.08Å; C44-W87 HydrophobicContact CB-CH2 3.96Å; C44-W87 HydrophobicContact CB-CZ2 4.32Å; W87-S100 CarbonylContact O-C 3.53Å; W87-S100 WeakPolarHBondContact O-CA 3.27Å; W87-S100 WeakPolarHBondContact O-CB 3.38Å; W87-L101 PolarHBondContact N-O 3.47Å; W87-L101 PolarHBondContact O-N 3.45Å; W87-Y108 AromaticContact CD1-CE1 3.77Å; W87-E109 PolarHBondContact NE1-OE2 2.88Å; W87-C112 HydrophobicContact CD2-CB 3.55Å; W87-C112 VanDerWaalsContact CE2-CB 3.43Å; W87-C112 HydrophobicContact CE3-CB 4.06Å; W87-C112 HydrophobicContact CG-CB 3.88Å; W87-C112 HydrophobicContact CH2-CB 4.28Å; W87-C112 HydrophobicContact CZ2-CB 3.83Å; W87-C112 HydrophobicContact CZ3-CB 4.38Å; W87-V113 HydrophobicContact CH2-CG2 4.45Å; W87-V113 HydrophobicContact CZ2-CG2 4.24Å; W87-N116 WeakPolarHBondContact CZ3-ND2 3.4Å |
| 88 | K | 93.9 | Very high | 84.9 | Confident | 85 Ų | 85 | 70 Ų | 70 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 147.2 | 166.3 | -80.8 | 179.2 | 156.9 | 172.6 | 0 | 110.8 | K2 K3 Y5 A99 | K2-K88 WeakPolarHBondContact CB-O 3.5Å; K3-K88 HydrophobicContact CB-CB 4.27Å; K3-K88 PolarHBondContact O-N 2.94Å; Y5-K88 HydrophobicContact CE2-CD 4.26Å; Y5-K88 HydrophobicContact CE2-CG 4.09Å; Y5-K88 WeakPolarHBondContact OH-CD 3.31Å; Y5-K88 WeakPolarHBondContact OH-CE 3.46Å; Y5-K88 PolarHBondContact OH-NZ 3.01Å; K88-A99 WeakPolarHBondContact CA-O 3.37Å |
| 89 | E | 91.7 | Very high | 84.5 | Confident | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | trans | -58.3 | 142.8 | 168.5 | -171 | 175.6 | 172.2 | 0 | 0 | 110.7 | F91 S94 A99 T166 A167 D168 | E89-F91 VanDerWaalsContact C-N 3.33Å; E89-S94 WeakPolarHBondContact OE1-CB 3.44Å; E89-S94 PolarHBondContact OE1-OG 3.5Å; E89-S94 WeakPolarHBondContact OE2-CB 3.34Å; E89-A99 PolarHBondContact N-O 2.78Å; E89-T166 HydrophobicContact CB-CG2 4.44Å; E89-A167 VanDerWaalsContact OE1-CB 3.28Å; E89-A167 WeakPolarHBondContact OE1-CB 2.99Å; E89-D168 HydrophobicContact CG-CB 4.06Å | ||
| 90 | A | 92.1 | Very high | 84.4 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -73.4 | -22.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | K2 F115 D168 | K2-A90 HydrophobicContact CG-CB 3.93Å; A90-F115 HydrophobicContact CB-CE1 3.56Å; A90-F115 HydrophobicContact CB-CZ 3.88Å; A90-D168 HydrophobicContact CB-CB 4.05Å; A90-D168 VanDerWaalsContact CB-OD2 3.27Å; A90-D168 WeakPolarHBondContact CB-OD2 3.23Å; A90-D168 PolarHBondContact N-OD2 3.22Å |
| 91 | F | 86.9 | Confident | 84.4 | Confident | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | trans | -101.4 | 110.7 | -177 | -49.5 | -42.5 | 0 | 0 | 0 | 109.5 | E89 R93 D168 T173 L177 M229 W230 | E89-F91 VanDerWaalsContact C-N 3.33Å; F91-R93 PolarHBondContact O-N 3.44Å; F91-D168 HydrophobicContact CD2-CB 3.76Å; F91-D168 HydrophobicContact CE2-CB 3.52Å; F91-D168 HydrophobicContact CG-CB 4.45Å; F91-D168 HydrophobicContact CZ-CB 3.99Å; F91-T173 HydrophobicContact CE2-CG2 3.66Å; F91-T173 HydrophobicContact CZ-CG2 4Å; F91-L177 HydrophobicContact CZ-CD1 4.35Å; F91-M229 HydrophobicContact CB-CG 4.4Å; F91-M229 HydrophobicContact CD2-CG 3.44Å; F91-M229 VanDerWaalsContact CD2-CG 3.44Å; F91-M229 HydrophobicContact CD2-SD 3.58Å; F91-M229 VanDerWaalsContact CD2-SD 3.58Å; F91-M229 HydrophobicContact CE2-CG 3.94Å; F91-M229 HydrophobicContact CE2-SD 3.56Å; F91-M229 VanDerWaalsContact CE2-SD 3.56Å; F91-M229 HydrophobicContact CG-CG 4.15Å; F91-W230 AromaticContact CE2-CZ3 3.98Å; F91-W230 HydrophobicContact CE2-CZ3 3.98Å; F91-W230 HydrophobicContact CZ-CE3 4.48Å; F91-W230 AromaticContact CZ-CZ3 3.78Å; F91-W230 HydrophobicContact CZ-CZ3 3.78Å | ||
| 92 | E | 69.4 | Low | 84.4 | Confident | 175 Ų | 175 | 65.2 Ų | 65.2 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.9 | -180 | -64.2 | -178.1 | 167.1 | 0 | 0 | 113 | K3 | K3-E92 IonicContact NZ-OE1 3.25Š|
| 93 | R | 63.9 | Low | 84.4 | Confident | 120 Ų | 120 | 62.9 Ų | 62.9 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 6.3 | -171.2 | -59.8 | -173.5 | -173.1 | 157.1 | 11.1 | 115.2 | F91 L95 W230 D231 | F91-R93 PolarHBondContact O-N 3.44Å; R93-L95 PolarHBondContact O-N 2.99Å; R93-W230 PolarHBondContact NH1-O 2.92Å; R93-D231 IonicContact CZ-OD2 3.03Å; R93-D231 IonicContact NH1-OD2 3.94Å; R93-D231 PolarHBondContact NH1-OD2 3.24Å; R93-D231 IonicContact NH2-OD2 3.56Å; R93-D231 PolarHBondContact NH2-OD2 2.87Å |
| 94 | S | 61.1 | Low | 84.4 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | trans | -67.7 | 94.8 | 178.2 | -165.1 | 0 | 0 | 0 | 0 | 110.2 | E89 F96 | E89-S94 WeakPolarHBondContact OE1-CB 3.44Å; E89-S94 PolarHBondContact OE1-OG 3.5Å; E89-S94 WeakPolarHBondContact OE2-CB 3.34Å; S94-F96 PolarHBondContact O-N 3.33Å | ||
| 95 | L | 61.9 | Low | 84.4 | Confident | 140 Ų | 140 | 62.3 Ų | 62.3 | 73% | 0.733 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -68.5 | -21.8 | 177 | -69.1 | 174.2 | 0 | 0 | 0 | 112.2 | R93 | R93-L95 PolarHBondContact O-N 2.99Š|
| 96 | F | 63.7 | Low | 84.4 | Confident | 177 Ų | 177 | 62.7 Ų | 62.7 | 78% | 0.776 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -129.8 | 86.6 | -173.6 | -55.9 | -76.6 | 0 | 0 | 0 | 108.7 | S94 | S94-F96 PolarHBondContact O-N 3.33Š|
| 97 | G | 66.4 | Low | 84.5 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 168.7 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A99 | G97-A99 PolarHBondContact O-N 3.28Š|
| 98 | K | 75.3 | Confident | 84.5 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | trans | -77 | 112.1 | 172.7 | -65.2 | 175.4 | -173.7 | 163.6 | 0 | 109.2 | S100 L101 T166 | K98-S100 PolarHBondContact O-N 3.02Å; K98-L101 HydrophobicContact CD-CD1 4.06Å; K98-T166 HydrophobicContact CB-CG2 4.44Å; K98-T166 WeakPolarHBondContact O-CG2 3.32Å | ||
| 99 | A | 85.7 | Confident | 84.7 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -59.6 | -20.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K88 E89 G97 | K88-A99 WeakPolarHBondContact CA-O 3.37Å; E89-A99 PolarHBondContact N-O 2.78Å; G97-A99 PolarHBondContact O-N 3.28Å |
| 100 | S | 92.1 | Very high | 85 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.8 | 173 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | W87 K98 | W87-S100 CarbonylContact O-C 3.53Å; W87-S100 WeakPolarHBondContact O-CA 3.27Å; W87-S100 WeakPolarHBondContact O-CB 3.38Å; K98-S100 PolarHBondContact O-N 3.02Å |
| 101 | L | 94.2 | Very high | 85.3 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.9 | 176.9 | -172.5 | 62.8 | 0 | 0 | 0 | 110.2 | W87 K98 I103 Y108 V161 Q163 T166 | W87-L101 PolarHBondContact N-O 3.47Å; W87-L101 PolarHBondContact O-N 3.45Å; K98-L101 HydrophobicContact CD-CD1 4.06Å; L101-I103 HydrophobicContact CD2-CD1 3.81Å; L101-I103 HydrophobicContact CD2-CG1 4.3Å; L101-I103 HydrophobicContact CG-CD1 4.05Å; L101-I103 HydrophobicContact CG-CG1 3.97Å; L101-Y108 WeakPolarHBondContact CB-OH 3.22Å; L101-Y108 HydrophobicContact CD2-CE2 4.3Å; L101-Y108 PolarHBondContact O-OH 3.29Å; L101-V161 HydrophobicContact CD2-CG1 4.47Å; L101-Q163 VanDerWaalsContact CD1-NE2 3.29Å; L101-T166 HydrophobicContact CB-CG2 3.77Å; L101-T166 HydrophobicContact CD2-CG2 4.47Å |
| 102 | T | 96.2 | Very high | 85.8 | Confident | 68 Ų | 68 | 54 Ų | 54 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124 | 177.3 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | P84 F85 K86 | P84-T102 HydrophobicContact CB-CG2 3.77Å; F85-T102 VanDerWaalsContact O-CA 3.26Å; F85-T102 WeakPolarHBondContact O-CA 3.2Å; K86-T102 HydrophobicContact CB-CG2 4.43Å; K86-T102 WeakPolarHBondContact CB-OG1 3.36Å; K86-T102 VanDerWaalsContact CG-OG1 3.26Å; K86-T102 WeakPolarHBondContact CG-OG1 2.94Å |
| 103 | I | 96.6 | Very high | 87.1 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.4 | 179.6 | -48.2 | -178 | 0 | 0 | 0 | 109.5 | F85 L101 S105 Y108 V161 Q163 | F85-I103 PolarHBondContact N-O 2.75Å; F85-I103 PolarHBondContact O-N 3.44Å; L101-I103 HydrophobicContact CD2-CD1 3.81Å; L101-I103 HydrophobicContact CD2-CG1 4.3Å; L101-I103 HydrophobicContact CG-CD1 4.05Å; L101-I103 HydrophobicContact CG-CG1 3.97Å; I103-S105 VanDerWaalsContact C-N 3.26Å; I103-S105 PolarHBondContact O-N 2.87Å; I103-S105 VanDerWaalsContact O-N 3.1Å; I103-Y108 HydrophobicContact CB-CD1 3.58Å; I103-Y108 HydrophobicContact CB-CE1 4.06Å; I103-Y108 HydrophobicContact CB-CG 4.01Å; I103-Y108 HydrophobicContact CD1-CD1 4.03Å; I103-Y108 HydrophobicContact CD1-CD2 3.86Å; I103-Y108 HydrophobicContact CD1-CE1 4.26Å; I103-Y108 HydrophobicContact CD1-CE2 4.11Å; I103-Y108 HydrophobicContact CD1-CG 3.79Å; I103-Y108 HydrophobicContact CG1-CD1 3.89Å; I103-Y108 HydrophobicContact CG1-CE1 3.97Å; I103-Y108 HydrophobicContact CG1-CG 4.17Å; I103-V161 HydrophobicContact CD1-CG1 3.59Å; I103-Q163 HydrophobicContact CD1-CG 3.88Å |
| 104 | C | 96.5 | Very high | 88.7 | Confident | 37 Ų | 37 | 40 Ų | 40 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | trans | -82.8 | 65 | 171 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | P78 V83 | P78-C104 HydrophobicContact CB-CB 4.43Å; P78-C104 WeakPolarHBondContact CD-O 3.27Å; P78-C104 HydrophobicContact CG-CB 4.23Å; P78-C104 WeakPolarHBondContact CG-O 3.44Å; V83-C104 VanDerWaalsContact O-CA 3.29Å; V83-C104 WeakPolarHBondContact O-CA 3.48Å | ||
| 105 | S | 96.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | trans | -143.7 | 122.7 | -177.4 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | F85 I103 S107 Y108 E109 | F85-S105 WeakPolarHBondContact CD2-O 2.89Å; I103-S105 VanDerWaalsContact C-N 3.26Å; I103-S105 PolarHBondContact O-N 2.87Å; I103-S105 VanDerWaalsContact O-N 3.1Å; S105-S107 PolarHBondContact O-N 3.27Å; S105-S107 PolarHBondContact OG-N 2.9Å; S105-Y108 WeakPolarHBondContact O-CB 3.4Å; S105-Y108 PolarHBondContact O-N 3.35Å; S105-Y108 PolarHBondContact OG-N 3.38Å; S105-Y108 VanDerWaalsContact OG-N 3.14Å; S105-E109 PolarHBondContact O-N 3.46Å; S105-E109 VanDerWaalsContact O-N 3.09Å | ||
| 106 | G | 96.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L76 E109 K110 | L76-G106 PolarHBondContact O-N 3.48Å; G106-E109 PolarHBondContact O-N 3.27Å; G106-K110 WeakPolarHBondContact O-CB 3.28Å; G106-K110 WeakPolarHBondContact O-CG 3.45Å; G106-K110 PolarHBondContact O-N 3.4Å |
| 107 | S | 97.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 173.1 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | S105 K110 A111 M160 | S105-S107 PolarHBondContact O-N 3.27Å; S105-S107 PolarHBondContact OG-N 2.9Å; S107-K110 PolarHBondContact O-N 3.2Å; S107-A111 PolarHBondContact O-N 3.31Å; S107-M160 WeakPolarHBondContact CB-O 3.35Å; S107-M160 WeakPolarHBondContact O-CE 3.42Å |
| 108 | Y | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 173 | 171.9 | -119.3 | 0 | 0 | 0 | 112.7 | F85 W87 L101 I103 S105 A111 C112 V161 L169 | F85-Y108 HydrophobicContact CB-CD1 4.21Å; F85-Y108 HydrophobicContact CB-CE1 4.42Å; F85-Y108 WeakPolarHBondContact O-CE1 3.39Å; W87-Y108 AromaticContact CD1-CE1 3.77Å; L101-Y108 WeakPolarHBondContact CB-OH 3.22Å; L101-Y108 HydrophobicContact CD2-CE2 4.3Å; L101-Y108 PolarHBondContact O-OH 3.29Å; I103-Y108 HydrophobicContact CB-CD1 3.58Å; I103-Y108 HydrophobicContact CB-CE1 4.06Å; I103-Y108 HydrophobicContact CB-CG 4.01Å; I103-Y108 HydrophobicContact CD1-CD1 4.03Å; I103-Y108 HydrophobicContact CD1-CD2 3.86Å; I103-Y108 HydrophobicContact CD1-CE1 4.26Å; I103-Y108 HydrophobicContact CD1-CE2 4.11Å; I103-Y108 HydrophobicContact CD1-CG 3.79Å; I103-Y108 HydrophobicContact CG1-CD1 3.89Å; I103-Y108 HydrophobicContact CG1-CE1 3.97Å; I103-Y108 HydrophobicContact CG1-CG 4.17Å; S105-Y108 WeakPolarHBondContact O-CB 3.4Å; S105-Y108 PolarHBondContact O-N 3.35Å; S105-Y108 PolarHBondContact OG-N 3.38Å; S105-Y108 VanDerWaalsContact OG-N 3.14Å; Y108-A111 PolarHBondContact O-N 2.9Å; Y108-C112 WeakPolarHBondContact CE2-SG 3.38Å; Y108-C112 PolarHBondContact O-N 2.9Å; Y108-C112 PolarHBondContact O-SG 3.45Å; Y108-C112 VanDerWaalsContact O-SG 3.37Å; Y108-V161 HydrophobicContact CD2-CG1 4.49Å; Y108-V161 HydrophobicContact CD2-CG2 4.07Å; Y108-L169 HydrophobicContact CE2-CD1 4.31Å |
| 109 | E | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 174.3 | -175.7 | 73 | 170.8 | 0 | 0 | 110.7 | R40 Y63 L67 F85 W87 S105 G106 A111 C112 V113 | R40-E109 IonicContact CZ-OE1 3.8Å; R40-E109 IonicContact NE-OE1 2.73Å; R40-E109 PolarHBondContact NE-OE1 3.43Å; R40-E109 IonicContact NH2-OE1 2.95Å; R40-E109 PolarHBondContact NH2-OE1 2.92Å; Y63-E109 HydrophobicContact CE1-CG 4.18Å; Y63-E109 PolarHBondContact OH-OE1 2.89Å; L67-E109 HydrophobicContact CD1-CB 4.45Å; L67-E109 HydrophobicContact CD1-CG 3.81Å; L67-E109 HydrophobicContact CD2-CG 4.39Å; F85-E109 WeakPolarHBondContact CB-OE2 3.31Å; F85-E109 HydrophobicContact CD1-CB 4.13Å; F85-E109 HydrophobicContact CD1-CG 3.94Å; F85-E109 WeakPolarHBondContact CD1-OE2 3.28Å; F85-E109 HydrophobicContact CD2-CB 3.93Å; F85-E109 HydrophobicContact CE1-CB 4.22Å; F85-E109 HydrophobicContact CE1-CG 3.89Å; F85-E109 HydrophobicContact CE2-CB 4.04Å; F85-E109 HydrophobicContact CG-CB 3.97Å; F85-E109 HydrophobicContact CG-CG 4.3Å; F85-E109 VanDerWaalsContact CG-OE2 3.31Å; F85-E109 WeakPolarHBondContact CG-OE2 3.47Å; F85-E109 HydrophobicContact CZ-CB 4.17Å; F85-E109 HydrophobicContact CZ-CG 4.2Å; W87-E109 PolarHBondContact NE1-OE2 2.88Å; S105-E109 PolarHBondContact O-N 3.46Å; S105-E109 VanDerWaalsContact O-N 3.09Å; G106-E109 PolarHBondContact O-N 3.27Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3Å; E109-C112 PolarHBondContact O-N 3.46Å; E109-V113 HydrophobicContact CG-CG2 4.42Å; E109-V113 VanDerWaalsContact O-CG2 3.28Å; E109-V113 WeakPolarHBondContact O-CG2 3.48Å; E109-V113 PolarHBondContact O-N 3.05Å |
| 110 | K | 97.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 13.4 Ų | 13.4 | 10% | 0.096 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53.9 | -47.1 | 175.1 | -80.1 | -171.4 | -66.4 | 179.1 | 0 | 111.8 | Y64 L67 V68 E71 G106 S107 C112 V113 L114 M160 | Y64-K110 HydrophobicContact CD2-CB 4.22Å; Y64-K110 HydrophobicContact CD2-CG 4.13Å; Y64-K110 HydrophobicContact CE2-CB 3.91Å; Y64-K110 HydrophobicContact CE2-CD 4.1Å; Y64-K110 HydrophobicContact CE2-CG 3.97Å; L67-K110 HydrophobicContact CB-CD 4.18Å; L67-K110 HydrophobicContact CB-CG 3.76Å; L67-K110 HydrophobicContact CD1-CG 3.93Å; L67-K110 HydrophobicContact CG-CG 4.43Å; V68-K110 HydrophobicContact CG2-CD 3.79Å; E71-K110 IonicContact OE1-NZ 3.57Å; E71-K110 PolarHBondContact OE1-NZ 2.99Å; E71-K110 IonicContact OE2-NZ 2.78Å; E71-K110 PolarHBondContact OE2-NZ 3.24Å; G106-K110 WeakPolarHBondContact O-CB 3.28Å; G106-K110 WeakPolarHBondContact O-CG 3.45Å; G106-K110 PolarHBondContact O-N 3.4Å; S107-K110 PolarHBondContact O-N 3.2Å; K110-C112 PolarHBondContact O-N 3.44Å; K110-V113 PolarHBondContact O-N 3.32Å; K110-L114 WeakPolarHBondContact O-CG 3.15Å; K110-L114 PolarHBondContact O-N 3.29Å; K110-M160 HydrophobicContact CB-CE 3.92Å |
| 111 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S107 Y108 E109 L114 F115 L153 I157 M160 | S107-A111 PolarHBondContact O-N 3.31Å; Y108-A111 PolarHBondContact O-N 2.9Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3Å; A111-L114 PolarHBondContact O-N 3.31Å; A111-F115 PolarHBondContact O-N 3.36Å; A111-L153 HydrophobicContact CB-CD2 4.02Å; A111-I157 HydrophobicContact CB-CD1 3.64Å; A111-M160 HydrophobicContact CB-CB 4.41Å; A111-M160 HydrophobicContact CB-CE 3.84Å; A111-M160 HydrophobicContact CB-SD 4.14Å |
| 112 | C | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 178.7 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | K2 W87 Y108 E109 K110 F115 N116 | K2-C112 HydrophobicContact CD-CB 4.27Å; W87-C112 HydrophobicContact CD2-CB 3.55Å; W87-C112 VanDerWaalsContact CE2-CB 3.43Å; W87-C112 HydrophobicContact CE3-CB 4.06Å; W87-C112 HydrophobicContact CG-CB 3.88Å; W87-C112 HydrophobicContact CH2-CB 4.28Å; W87-C112 HydrophobicContact CZ2-CB 3.83Å; W87-C112 HydrophobicContact CZ3-CB 4.38Å; Y108-C112 WeakPolarHBondContact CE2-SG 3.38Å; Y108-C112 PolarHBondContact O-N 2.9Å; Y108-C112 PolarHBondContact O-SG 3.45Å; Y108-C112 VanDerWaalsContact O-SG 3.37Å; E109-C112 PolarHBondContact O-N 3.46Å; K110-C112 PolarHBondContact O-N 3.44Å; C112-F115 PolarHBondContact O-N 2.82Å; C112-N116 PolarHBondContact O-N 3.04Å; C112-N116 VanDerWaalsContact O-N 3.09Å |
| 113 | V | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | Y63 W87 E109 K110 F115 N116 I117 | Y63-V113 HydrophobicContact CD1-CG1 4.31Å; Y63-V113 HydrophobicContact CD1-CG2 3.76Å; Y63-V113 HydrophobicContact CE1-CG2 3.7Å; W87-V113 HydrophobicContact CH2-CG2 4.45Å; W87-V113 HydrophobicContact CZ2-CG2 4.24Å; E109-V113 HydrophobicContact CG-CG2 4.42Å; E109-V113 VanDerWaalsContact O-CG2 3.28Å; E109-V113 WeakPolarHBondContact O-CG2 3.48Å; E109-V113 PolarHBondContact O-N 3.05Å; K110-V113 PolarHBondContact O-N 3.32Å; V113-F115 VanDerWaalsContact C-N 3.34Å; V113-F115 PolarHBondContact O-N 3.36Å; V113-N116 PolarHBondContact O-N 3.45Å; V113-I117 HydrophobicContact CG1-CD1 3.82Å; V113-I117 HydrophobicContact CG1-CG1 4.47Å; V113-I117 VanDerWaalsContact O-CG1 3.31Å; V113-I117 WeakPolarHBondContact O-CG1 3.19Å; V113-I117 PolarHBondContact O-N 2.86Å |
| 114 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.2 | -72.9 | -178.5 | 0 | 0 | 0 | 112.4 | Y64 K110 A111 N116 I117 A118 L149 Y152 L153 L338 | Y64-L114 HydrophobicContact CD1-CD2 4.25Å; Y64-L114 HydrophobicContact CD2-CD1 4.32Å; Y64-L114 HydrophobicContact CD2-CD2 3.6Å; Y64-L114 HydrophobicContact CD2-CG 3.68Å; Y64-L114 HydrophobicContact CE1-CD2 4.19Å; Y64-L114 HydrophobicContact CE2-CD1 3.54Å; Y64-L114 HydrophobicContact CE2-CD2 3.53Å; Y64-L114 HydrophobicContact CE2-CG 3.41Å; Y64-L114 VanDerWaalsContact CE2-CG 3.41Å; Y64-L114 HydrophobicContact CG-CD2 3.97Å; K110-L114 WeakPolarHBondContact O-CG 3.15Å; K110-L114 PolarHBondContact O-N 3.29Å; A111-L114 PolarHBondContact O-N 3.31Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.29Å; L114-I117 HydrophobicContact CD2-CD1 4.27Å; L114-I117 PolarHBondContact O-N 3.36Å; L114-A118 PolarHBondContact O-N 3.09Å; L114-L149 HydrophobicContact CD2-CD2 3.99Å; L114-Y152 HydrophobicContact CD1-CD1 3.83Å; L114-Y152 HydrophobicContact CD1-CE1 3.59Å; L114-L153 HydrophobicContact CB-CD1 4.13Å; L114-L153 HydrophobicContact CB-CD2 4.08Å; L114-L153 HydrophobicContact CB-CG 4.32Å; L114-L153 HydrophobicContact CD1-CD2 4.17Å; L114-L338 HydrophobicContact CD1-CD2 4.17Å |
| 115 | F | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.009 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.7 | 179 | -83.5 | 0 | 0 | 0 | 111.3 | K2 A90 A111 C112 V113 A118 S119 Y150 L153 D168 L169 L174 L177 | K2-F115 HydrophobicContact CD-CB 4.47Å; K2-F115 HydrophobicContact CD-CD1 3.86Å; K2-F115 HydrophobicContact CD-CE1 4.43Å; K2-F115 HydrophobicContact CD-CG 4.24Å; K2-F115 HydrophobicContact CG-CD1 3.66Å; K2-F115 HydrophobicContact CG-CE1 3.88Å; A90-F115 HydrophobicContact CB-CE1 3.56Å; A90-F115 HydrophobicContact CB-CZ 3.88Å; A111-F115 PolarHBondContact O-N 3.36Å; C112-F115 PolarHBondContact O-N 2.82Å; V113-F115 VanDerWaalsContact C-N 3.34Å; V113-F115 PolarHBondContact O-N 3.36Å; F115-A118 PolarHBondContact O-N 2.96Å; F115-S119 WeakPolarHBondContact CE1-OG 3.35Å; F115-S119 WeakPolarHBondContact O-CB 3.47Å; F115-S119 PolarHBondContact O-N 3.48Å; F115-S119 PolarHBondContact O-OG 3.4Å; F115-Y150 HydrophobicContact CD2-CD1 4.34Å; F115-Y150 AromaticContact CD2-CE1 3.81Å; F115-Y150 HydrophobicContact CD2-CE1 3.81Å; F115-Y150 AromaticContact CE2-CE1 3.8Å; F115-Y150 HydrophobicContact CE2-CE1 3.8Å; F115-Y150 HydrophobicContact CG-CE1 4.48Å; F115-Y150 HydrophobicContact CZ-CE1 4.45Å; F115-L153 HydrophobicContact CB-CD1 3.91Å; F115-D168 HydrophobicContact CE2-CB 4.31Å; F115-D168 VanDerWaalsContact CE2-O 3.23Å; F115-D168 WeakPolarHBondContact CE2-O 3.45Å; F115-D168 HydrophobicContact CZ-CB 4.05Å; F115-L169 HydrophobicContact CB-CD2 3.91Å; F115-L169 HydrophobicContact CD2-CD2 3.68Å; F115-L169 HydrophobicContact CE2-CD2 4.49Å; F115-L169 HydrophobicContact CG-CD2 3.95Å; F115-L174 HydrophobicContact CD2-CD2 3.88Å; F115-L174 HydrophobicContact CE2-CD2 4.15Å; F115-L177 HydrophobicContact CE2-CD1 3.91Å; F115-L177 HydrophobicContact CZ-CD1 4.3Å |
| 116 | N | 96.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.6 | -36.9 | 177.9 | -88.4 | 7.6 | 0 | 0 | 0 | 112.7 | K2 R60 W87 C112 V113 L114 S119 L120 | K2-N116 WeakPolarHBondContact CB-OD1 3.34Å; K2-N116 PolarHBondContact N-OD1 3.03Å; K2-N116 PolarHBondContact O-ND2 2.9Å; R60-N116 PolarHBondContact NH1-ND2 3.45Å; W87-N116 WeakPolarHBondContact CZ3-ND2 3.4Å; C112-N116 PolarHBondContact O-N 3.04Å; C112-N116 VanDerWaalsContact O-N 3.09Å; V113-N116 PolarHBondContact O-N 3.45Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.29Å; N116-S119 PolarHBondContact O-N 3.16Å; N116-L120 VanDerWaalsContact O-CB 3.28Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 2.84Å |
| 117 | I | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 173.6 | -65.2 | 157.8 | 0 | 0 | 0 | 110.4 | I57 R60 F61 V113 L114 S119 L120 Q121 L149 | I57-I117 HydrophobicContact CG2-CG2 4.38Å; R60-I117 HydrophobicContact CB-CD1 3.9Å; R60-I117 HydrophobicContact CB-CG1 3.44Å; R60-I117 VanDerWaalsContact CB-CG1 3.44Å; R60-I117 HydrophobicContact CG-CG1 4.37Å; F61-I117 HydrophobicContact CD1-CD1 3.6Å; F61-I117 HydrophobicContact CD1-CG1 4.4Å; F61-I117 HydrophobicContact CD1-CG2 4.12Å; F61-I117 HydrophobicContact CE1-CB 4.37Å; F61-I117 HydrophobicContact CE1-CD1 3.87Å; F61-I117 HydrophobicContact CE1-CG1 4.45Å; F61-I117 HydrophobicContact CE1-CG2 3.45Å; F61-I117 VanDerWaalsContact CE1-CG2 3.45Å; F61-I117 HydrophobicContact CE2-CG2 4.13Å; F61-I117 HydrophobicContact CG-CD1 4.41Å; F61-I117 HydrophobicContact CZ-CG2 3.46Å; F61-I117 VanDerWaalsContact CZ-CG2 3.46Å; V113-I117 HydrophobicContact CG1-CD1 3.82Å; V113-I117 HydrophobicContact CG1-CG1 4.47Å; V113-I117 VanDerWaalsContact O-CG1 3.31Å; V113-I117 WeakPolarHBondContact O-CG1 3.19Å; V113-I117 PolarHBondContact O-N 2.86Å; L114-I117 HydrophobicContact CD2-CD1 4.27Å; L114-I117 PolarHBondContact O-N 3.36Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 3.4Å; I117-L120 PolarHBondContact O-N 2.89Å; I117-L120 VanDerWaalsContact O-N 3.16Å; I117-Q121 HydrophobicContact CG2-CG 4.19Å; I117-Q121 WeakPolarHBondContact O-CB 3.18Å; I117-Q121 VanDerWaalsContact O-CG 3.3Å; I117-Q121 WeakPolarHBondContact O-CG 3.45Å; I117-Q121 PolarHBondContact O-N 2.88Å; I117-L149 HydrophobicContact CB-CD1 4.06Å; I117-L149 HydrophobicContact CG2-CD1 3.7Å |
| 118 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L114 F115 L120 Q121 S122 S146 L149 Y150 | L114-A118 PolarHBondContact O-N 3.09Å; F115-A118 PolarHBondContact O-N 2.96Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.04Å; A118-Q121 PolarHBondContact O-N 2.97Å; A118-S122 PolarHBondContact O-N 3.38Å; A118-S146 WeakPolarHBondContact O-CB 3.39Å; A118-S146 PolarHBondContact O-OG 3.37Å; A118-L149 HydrophobicContact CB-CB 3.65Å; A118-L149 HydrophobicContact CB-CD1 3.97Å; A118-L149 HydrophobicContact CB-CG 4.47Å; A118-Y150 HydrophobicContact CB-CD1 3.93Å; A118-Y150 HydrophobicContact CB-CD2 4.14Å; A118-Y150 HydrophobicContact CB-CE1 3.62Å; A118-Y150 HydrophobicContact CB-CE2 3.85Å; A118-Y150 HydrophobicContact CB-CG 4.18Å |
| 119 | S | 95.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.5 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | F115 N116 I117 S122 Q123 Y150 | F115-S119 WeakPolarHBondContact CE1-OG 3.35Å; F115-S119 WeakPolarHBondContact O-CB 3.47Å; F115-S119 PolarHBondContact O-N 3.48Å; F115-S119 PolarHBondContact O-OG 3.4Å; N116-S119 PolarHBondContact O-N 3.16Å; I117-S119 VanDerWaalsContact C-N 3.32Å; I117-S119 PolarHBondContact O-N 3.4Å; S119-S122 PolarHBondContact O-N 2.94Å; S119-S122 PolarHBondContact O-OG 3.21Å; S119-Q123 WeakPolarHBondContact O-CG 3.26Å; S119-Q123 PolarHBondContact O-N 3.27Å; S119-Q123 VanDerWaalsContact O-N 3.16Å; S119-Q123 PolarHBondContact O-NE2 3.48Å; S119-Y150 VanDerWaalsContact CA-OH 3.27Å; S119-Y150 WeakPolarHBondContact CA-OH 3.42Å; S119-Y150 PolarHBondContact N-OH 3.39Å; S119-Y150 PolarHBondContact OG-OH 3.44Å |
| 120 | L | 94.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.9 | -41.8 | -179.4 | -176.7 | 60.5 | 0 | 0 | 0 | 111.6 | M1 E56 I57 N116 I117 A118 S122 Q123 V124 | M1-L120 HydrophobicContact CE-CD1 4.46Å; M1-L120 HydrophobicContact SD-CB 4.01Å; M1-L120 HydrophobicContact SD-CD1 4.32Å; E56-L120 HydrophobicContact CB-CD2 3.73Å; E56-L120 HydrophobicContact CG-CD2 3.42Å; E56-L120 VanDerWaalsContact CG-CD2 3.42Å; I57-L120 HydrophobicContact CB-CD2 4.38Å; I57-L120 HydrophobicContact CD1-CG 4.24Å; I57-L120 HydrophobicContact CG1-CB 4.23Å; I57-L120 HydrophobicContact CG1-CD2 3.51Å; I57-L120 HydrophobicContact CG1-CG 3.65Å; N116-L120 VanDerWaalsContact O-CB 3.28Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 2.84Å; I117-L120 PolarHBondContact O-N 2.89Å; I117-L120 VanDerWaalsContact O-N 3.16Å; A118-L120 VanDerWaalsContact C-N 3.35Å; A118-L120 PolarHBondContact O-N 3.04Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 3.27Å; L120-Q123 PolarHBondContact O-N 3.37Å; L120-Q123 VanDerWaalsContact O-N 3.11Å; L120-V124 HydrophobicContact CD1-CG2 4.31Å; L120-V124 HydrophobicContact CG-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 3.41Å |
| 121 | Q | 96.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.7 | -42.6 | 172.1 | -72.6 | 178.8 | -36.3 | 0 | 0 | 111.3 | I57 I117 A118 Q123 A125 L142 | I57-Q121 HydrophobicContact CD1-CG 3.83Å; I57-Q121 HydrophobicContact CG1-CG 4.23Å; I57-Q121 HydrophobicContact CG2-CG 4.42Å; I117-Q121 HydrophobicContact CG2-CG 4.19Å; I117-Q121 WeakPolarHBondContact O-CB 3.18Å; I117-Q121 VanDerWaalsContact O-CG 3.3Å; I117-Q121 WeakPolarHBondContact O-CG 3.45Å; I117-Q121 PolarHBondContact O-N 2.88Å; A118-Q121 PolarHBondContact O-N 2.97Å; Q121-Q123 PolarHBondContact O-N 3.36Å; Q121-A125 WeakPolarHBondContact O-CB 3.44Å; Q121-A125 PolarHBondContact O-N 3.05Å; Q121-L142 HydrophobicContact CB-CB 4.46Å; Q121-L142 HydrophobicContact CB-CD2 4.32Å; Q121-L142 HydrophobicContact CG-CD2 4.05Å |
| 122 | S | 97 | Very high | 96 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.3 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | A118 S119 L120 A126 M181 | A118-S122 PolarHBondContact O-N 3.38Å; S119-S122 PolarHBondContact O-N 2.94Å; S119-S122 PolarHBondContact O-OG 3.21Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 3.27Å; S122-A126 WeakPolarHBondContact O-CB 3.31Å; S122-A126 PolarHBondContact O-N 3.19Å; S122-M181 WeakPolarHBondContact CB-SD 3.37Å |
| 123 | Q | 94.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -45.3 | 179 | -74.6 | 166.2 | 72.3 | 0 | 0 | 111.6 | S119 L120 Q121 A125 A126 A127 | S119-Q123 WeakPolarHBondContact O-CG 3.26Å; S119-Q123 PolarHBondContact O-N 3.27Å; S119-Q123 VanDerWaalsContact O-N 3.16Å; S119-Q123 PolarHBondContact O-NE2 3.48Å; L120-Q123 PolarHBondContact O-N 3.37Å; L120-Q123 VanDerWaalsContact O-N 3.11Å; Q121-Q123 PolarHBondContact O-N 3.36Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.46Å; Q123-A126 PolarHBondContact O-N 3Å; Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.45Å |
| 124 | V | 95.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | I57 L120 A127 Q128 L142 | I57-V124 HydrophobicContact CD1-CB 4.4Å; I57-V124 HydrophobicContact CD1-CG2 4.01Å; L120-V124 HydrophobicContact CD1-CG2 4.31Å; L120-V124 HydrophobicContact CG-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 3.41Å; V124-A127 PolarHBondContact O-N 3.02Å; V124-Q128 WeakPolarHBondContact O-CG 3.3Å; V124-Q128 PolarHBondContact O-N 2.91Å; V124-Q128 PolarHBondContact O-NE2 3.44Å; V124-L142 HydrophobicContact CB-CD1 4.01Å; V124-L142 HydrophobicContact CG1-CD1 3.57Å |
| 125 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q121 Q123 A127 Q128 F130 A139 L142 F143 | Q121-A125 WeakPolarHBondContact O-CB 3.44Å; Q121-A125 PolarHBondContact O-N 3.05Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.46Å; A125-A127 VanDerWaalsContact C-N 3.26Å; A125-A127 PolarHBondContact O-N 2.89Å; A125-Q128 WeakPolarHBondContact O-CB 3.4Å; A125-Q128 WeakPolarHBondContact O-CG 3.46Å; A125-Q128 PolarHBondContact O-N 2.81Å; A125-F130 WeakPolarHBondContact O-CE1 3.4Å; A125-A139 HydrophobicContact CB-CB 4.32Å; A125-A139 WeakPolarHBondContact O-CB 3.4Å; A125-L142 HydrophobicContact CB-CB 3.73Å; A125-L142 HydrophobicContact CB-CD1 4.43Å; A125-F143 HydrophobicContact CB-CD1 3.56Å; A125-F143 HydrophobicContact CB-CD2 3.95Å; A125-F143 HydrophobicContact CB-CE1 3.39Å; A125-F143 HydrophobicContact CB-CE2 3.81Å; A125-F143 HydrophobicContact CB-CG 3.83Å; A125-F143 HydrophobicContact CB-CZ 3.52Å |
| 126 | A | 95.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 52% | 0.521 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.4 | -23.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S122 Q123 Q128 F143 | S122-A126 WeakPolarHBondContact O-CB 3.31Å; S122-A126 PolarHBondContact O-N 3.19Å; Q123-A126 PolarHBondContact O-N 3Å; A126-Q128 VanDerWaalsContact C-N 3.34Å; A126-F143 HydrophobicContact CB-CE1 4.47Å; A126-F143 HydrophobicContact CB-CZ 4.26Å |
| 127 | A | 94.7 | Very high | 95.8 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q123 V124 A125 | Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.45Å; V124-A127 PolarHBondContact O-N 3.02Å; A125-A127 VanDerWaalsContact C-N 3.26Å; A125-A127 PolarHBondContact O-N 2.89Å |
| 128 | Q | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 55 Ų | 55 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -70.2 | 152.6 | 178 | -62.3 | -47.2 | -74.1 | 0 | 0 | 111.9 | V124 A125 A126 F130 E135 A139 | V124-Q128 WeakPolarHBondContact O-CG 3.3Å; V124-Q128 PolarHBondContact O-N 2.91Å; V124-Q128 PolarHBondContact O-NE2 3.44Å; A125-Q128 WeakPolarHBondContact O-CB 3.4Å; A125-Q128 WeakPolarHBondContact O-CG 3.46Å; A125-Q128 PolarHBondContact O-N 2.81Å; A126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-F130 HydrophobicContact CB-CD1 4.32Å; Q128-F130 HydrophobicContact CB-CE1 4.14Å; Q128-F130 WeakPolarHBondContact O-CD1 3.44Å; Q128-F130 PolarHBondContact O-N 3.45Å; Q128-E135 HydrophobicContact CB-CB 4.16Å; Q128-A139 HydrophobicContact CB-CB 3.97Å; Q128-A139 HydrophobicContact CG-CB 3.92Å |
| 129 | R | 94.9 | Very high | 95.7 | Very high | 137 Ų | 137 | 55 Ų | 55 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | trans | -82.7 | 112.2 | 172 | -64.6 | -173.1 | -61.7 | 157.4 | -1.1 | 110.7 | D131 V132 E135 | R129-D131 WeakPolarHBondContact CB-OD1 3.47Å; R129-D131 PolarHBondContact O-N 3.33Å; R129-V132 HydrophobicContact CB-CG2 4.24Å; R129-V132 PolarHBondContact O-N 2.93Å; R129-E135 VanDerWaalsContact CB-OE2 3.27Å; R129-E135 WeakPolarHBondContact CB-OE2 3.49Å; R129-E135 WeakPolarHBondContact CG-OE2 3.33Å; R129-E135 IonicContact CZ-OE1 2.91Å; R129-E135 VanDerWaalsContact CZ-OE1 3.26Å; R129-E135 PolarHBondContact N-OE2 3.45Å; R129-E135 IonicContact NE-OE1 2.65Å; R129-E135 PolarHBondContact NE-OE1 3.17Å; R129-E135 IonicContact NE-OE2 3.75Å; R129-E135 IonicContact NH2-OE1 3.43Å; R129-E135 PolarHBondContact NH2-OE1 3.32Å; R129-E135 WeakPolarHBondContact O-CB 3.48Å | ||
| 130 | F | 95 | Very high | 95.9 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.228 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.5 | -175.5 | -67.9 | 0.6 | 0 | 0 | 0 | 113.6 | A125 Q128 L136 A139 F143 L191 K195 | A125-F130 WeakPolarHBondContact O-CE1 3.4Å; Q128-F130 HydrophobicContact CB-CD1 4.32Å; Q128-F130 HydrophobicContact CB-CE1 4.14Å; Q128-F130 WeakPolarHBondContact O-CD1 3.44Å; Q128-F130 PolarHBondContact O-N 3.45Å; F130-L136 HydrophobicContact CB-CD1 4.08Å; F130-L136 HydrophobicContact CD1-CD1 4.2Å; F130-L136 HydrophobicContact CG-CD1 4.07Å; F130-A139 HydrophobicContact CD1-CB 4.31Å; F130-A139 HydrophobicContact CE1-CB 3.65Å; F130-A139 HydrophobicContact CZ-CB 4.4Å; F130-F143 HydrophobicContact CE1-CE2 4.49Å; F130-F143 AromaticContact CZ-CE2 3.85Å; F130-F143 HydrophobicContact CZ-CE2 3.85Å; F130-F143 HydrophobicContact CZ-CZ 4.19Å; F130-L191 HydrophobicContact CB-CD1 3.99Å; F130-L191 HydrophobicContact CD2-CD1 3.57Å; F130-L191 HydrophobicContact CE2-CD1 4.45Å; F130-L191 HydrophobicContact CG-CD1 4.16Å; F130-K195 PolarHBondContact O-NZ 2.92Å |
| 131 | D | 93.4 | Very high | 96 | Very high | 116 Ų | 116 | 60.1 Ų | 60.1 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.7 | 168.9 | 63.5 | -45.6 | 0 | 0 | 0 | 114.6 | R129 K195 | R129-D131 WeakPolarHBondContact CB-OD1 3.47Å; R129-D131 PolarHBondContact O-N 3.33Å; D131-K195 VanDerWaalsContact CA-NZ 3.31Å |
| 132 | V | 95.9 | Very high | 96 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -108.4 | 123 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | R129 D134 E135 L136 | R129-V132 HydrophobicContact CB-CG2 4.24Å; R129-V132 PolarHBondContact O-N 2.93Å; V132-D134 PolarHBondContact O-N 3.39Å; V132-E135 HydrophobicContact CB-CB 4.14Å; V132-E135 HydrophobicContact CB-CG 4.29Å; V132-E135 HydrophobicContact CG1-CB 4.32Å; V132-E135 HydrophobicContact CG1-CG 4.13Å; V132-E135 PolarHBondContact O-N 3.31Å; V132-L136 WeakPolarHBondContact O-CB 3.45Å; V132-L136 PolarHBondContact O-N 2.89Å |
| 133 | D | 94.7 | Very high | 96.1 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.2 | -42.7 | -170.3 | -82.3 | -9.6 | 0 | 0 | 0 | 114.5 | K137 | D133-K137 WeakPolarHBondContact O-CB 3.14Å; D133-K137 PolarHBondContact O-N 3.49Å |
| 134 | D | 95.9 | Very high | 96.3 | Very high | 130 Ų | 130 | 57 Ų | 57 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 180 | -77 | -28.9 | 0 | 0 | 0 | 112 | V132 K137 L138 | V132-D134 PolarHBondContact O-N 3.39Å; D134-K137 PolarHBondContact O-N 2.89Å; D134-L138 PolarHBondContact O-N 2.76Å |
| 135 | E | 96.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 175.5 | -70.5 | -169.7 | -133.6 | 0 | 0 | 111.2 | Q128 R129 V132 K137 L138 A139 | Q128-E135 HydrophobicContact CB-CB 4.16Å; R129-E135 VanDerWaalsContact CB-OE2 3.27Å; R129-E135 WeakPolarHBondContact CB-OE2 3.49Å; R129-E135 WeakPolarHBondContact CG-OE2 3.33Å; R129-E135 IonicContact CZ-OE1 2.91Å; R129-E135 VanDerWaalsContact CZ-OE1 3.26Å; R129-E135 PolarHBondContact N-OE2 3.45Å; R129-E135 IonicContact NE-OE1 2.65Å; R129-E135 PolarHBondContact NE-OE1 3.17Å; R129-E135 IonicContact NE-OE2 3.75Å; R129-E135 IonicContact NH2-OE1 3.43Å; R129-E135 PolarHBondContact NH2-OE1 3.32Å; R129-E135 WeakPolarHBondContact O-CB 3.48Å; V132-E135 HydrophobicContact CB-CB 4.14Å; V132-E135 HydrophobicContact CB-CG 4.29Å; V132-E135 HydrophobicContact CG1-CB 4.32Å; V132-E135 HydrophobicContact CG1-CG 4.13Å; V132-E135 PolarHBondContact O-N 3.31Å; E135-K137 PolarHBondContact O-N 3.03Å; E135-L138 WeakPolarHBondContact O-CB 3.24Å; E135-L138 PolarHBondContact O-N 3.33Å; E135-A139 WeakPolarHBondContact O-CB 3.42Å; E135-A139 PolarHBondContact O-N 2.96Å |
| 136 | L | 97.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 174 | -177.9 | 63 | 0 | 0 | 0 | 111.8 | F130 V132 L138 A139 T140 A188 L191 K192 | F130-L136 HydrophobicContact CB-CD1 4.08Å; F130-L136 HydrophobicContact CD1-CD1 4.2Å; F130-L136 HydrophobicContact CG-CD1 4.07Å; V132-L136 WeakPolarHBondContact O-CB 3.45Å; V132-L136 PolarHBondContact O-N 2.89Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-A139 PolarHBondContact O-N 2.72Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-OG1 2.94Å; L136-A188 HydrophobicContact CD1-CB 3.8Å; L136-L191 HydrophobicContact CD1-CB 4.4Å; L136-L191 HydrophobicContact CD1-CD1 4.5Å; L136-L191 HydrophobicContact CD2-CB 4.29Å; L136-K192 HydrophobicContact CD2-CB 3.82Å |
| 137 | K | 97.1 | Very high | 96.6 | Very high | 136 Ų | 136 | 56.4 Ų | 56.4 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 174.3 | -176.9 | -178 | 178 | -175.6 | 0 | 111.2 | D133 D134 E135 K141 | D133-K137 WeakPolarHBondContact O-CB 3.14Å; D133-K137 PolarHBondContact O-N 3.49Å; D134-K137 PolarHBondContact O-N 2.89Å; E135-K137 PolarHBondContact O-N 3.03Å; K137-K141 PolarHBondContact O-N 2.93Å |
| 138 | L | 96.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 175.6 | 179 | 59.5 | 0 | 0 | 0 | 111.4 | D134 E135 L136 T140 K141 L142 | D134-L138 PolarHBondContact O-N 2.76Å; E135-L138 WeakPolarHBondContact O-CB 3.24Å; E135-L138 PolarHBondContact O-N 3.33Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.39Å; L138-K141 WeakPolarHBondContact O-CB 3.29Å; L138-K141 PolarHBondContact O-N 3.45Å; L138-K141 VanDerWaalsContact O-N 3.17Å; L138-L142 HydrophobicContact CD1-CD1 3.87Å; L138-L142 HydrophobicContact CD1-CG 3.94Å; L138-L142 HydrophobicContact CG-CD1 3.86Å; L138-L142 HydrophobicContact CG-CG 4.33Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 WeakPolarHBondContact O-CG 3.45Å; L138-L142 PolarHBondContact O-N 3.31Å |
| 139 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A125 Q128 F130 E135 L136 K141 L142 F143 | A125-A139 HydrophobicContact CB-CB 4.32Å; A125-A139 WeakPolarHBondContact O-CB 3.4Å; Q128-A139 HydrophobicContact CB-CB 3.97Å; Q128-A139 HydrophobicContact CG-CB 3.92Å; F130-A139 HydrophobicContact CD1-CB 4.31Å; F130-A139 HydrophobicContact CE1-CB 3.65Å; F130-A139 HydrophobicContact CZ-CB 4.4Å; E135-A139 WeakPolarHBondContact O-CB 3.42Å; E135-A139 PolarHBondContact O-N 2.96Å; L136-A139 PolarHBondContact O-N 2.72Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.28Å; A139-L142 PolarHBondContact O-N 3.45Å; A139-F143 HydrophobicContact CB-CD2 4.42Å; A139-F143 HydrophobicContact CB-CE2 4.15Å; A139-F143 WeakPolarHBondContact O-CD2 3.26Å; A139-F143 WeakPolarHBondContact O-CG 3.48Å; A139-F143 PolarHBondContact O-N 3.41Å |
| 140 | T | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.3 | -42.3 | 177.6 | -52.6 | 0 | 0 | 0 | 0 | 112 | L136 L138 Q144 A188 F189 | L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-OG1 2.94Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.39Å; T140-Q144 WeakPolarHBondContact O-CG 3.47Å; T140-Q144 PolarHBondContact O-N 2.87Å; T140-Q144 PolarHBondContact O-NE2 3.31Å; T140-Q144 VanDerWaalsContact O-NE2 3.09Å; T140-A188 HydrophobicContact CG2-CB 4.43Å; T140-A188 WeakPolarHBondContact OG1-CB 3.42Å; T140-F189 HydrophobicContact CG2-CD1 4.13Å; T140-F189 HydrophobicContact CG2-CD2 3.82Å; T140-F189 HydrophobicContact CG2-CE1 3.82Å; T140-F189 HydrophobicContact CG2-CE2 3.48Å; T140-F189 VanDerWaalsContact CG2-CE2 3.48Å; T140-F189 HydrophobicContact CG2-CG 4.13Å; T140-F189 HydrophobicContact CG2-CZ 3.49Å; T140-F189 VanDerWaalsContact CG2-CZ 3.49Å |
| 141 | K | 97.3 | Very high | 97.3 | Very high | 118 Ų | 118 | 43.2 Ų | 43.2 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.4 | -49.7 | 176.8 | 179.3 | -176 | 175.5 | -175.5 | 0 | 110.9 | K137 L138 A139 Q144 Q145 | K137-K141 PolarHBondContact O-N 2.93Å; L138-K141 WeakPolarHBondContact O-CB 3.29Å; L138-K141 PolarHBondContact O-N 3.45Å; L138-K141 VanDerWaalsContact O-N 3.17Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.28Å; K141-Q144 PolarHBondContact O-N 2.92Å; K141-Q145 VanDerWaalsContact CE-NE2 3.34Å; K141-Q145 HydrophobicContact CG-CG 4.46Å; K141-Q145 WeakPolarHBondContact O-CG 3.4Å; K141-Q145 PolarHBondContact O-N 3.22Å |
| 142 | L | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | -175.8 | -71.5 | 176.6 | 0 | 0 | 0 | 112.5 | I57 Q121 V124 A125 L138 A139 Q145 S146 | I57-L142 HydrophobicContact CD1-CD2 4.45Å; Q121-L142 HydrophobicContact CB-CB 4.46Å; Q121-L142 HydrophobicContact CB-CD2 4.32Å; Q121-L142 HydrophobicContact CG-CD2 4.05Å; V124-L142 HydrophobicContact CB-CD1 4.01Å; V124-L142 HydrophobicContact CG1-CD1 3.57Å; A125-L142 HydrophobicContact CB-CB 3.73Å; A125-L142 HydrophobicContact CB-CD1 4.43Å; L138-L142 HydrophobicContact CD1-CD1 3.87Å; L138-L142 HydrophobicContact CD1-CG 3.94Å; L138-L142 HydrophobicContact CG-CD1 3.86Å; L138-L142 HydrophobicContact CG-CG 4.33Å; L138-L142 WeakPolarHBondContact O-CB 3.38Å; L138-L142 WeakPolarHBondContact O-CG 3.45Å; L138-L142 PolarHBondContact O-N 3.31Å; A139-L142 PolarHBondContact O-N 3.45Å; L142-Q145 PolarHBondContact O-N 3.06Å; L142-S146 VanDerWaalsContact O-CB 3.31Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.28Å |
| 143 | F | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 172.6 | -73.2 | -48.3 | 0 | 0 | 0 | 112 | A125 A126 F130 A139 Q145 S146 A147 M181 Q184 A185 | A125-F143 HydrophobicContact CB-CD1 3.56Å; A125-F143 HydrophobicContact CB-CD2 3.95Å; A125-F143 HydrophobicContact CB-CE1 3.39Å; A125-F143 HydrophobicContact CB-CE2 3.81Å; A125-F143 HydrophobicContact CB-CG 3.83Å; A125-F143 HydrophobicContact CB-CZ 3.52Å; A126-F143 HydrophobicContact CB-CE1 4.47Å; A126-F143 HydrophobicContact CB-CZ 4.26Å; F130-F143 HydrophobicContact CE1-CE2 4.49Å; F130-F143 AromaticContact CZ-CE2 3.85Å; F130-F143 HydrophobicContact CZ-CE2 3.85Å; F130-F143 HydrophobicContact CZ-CZ 4.19Å; A139-F143 HydrophobicContact CB-CD2 4.42Å; A139-F143 HydrophobicContact CB-CE2 4.15Å; A139-F143 WeakPolarHBondContact O-CD2 3.26Å; A139-F143 WeakPolarHBondContact O-CG 3.48Å; A139-F143 PolarHBondContact O-N 3.41Å; F143-Q145 PolarHBondContact O-N 2.8Å; F143-S146 PolarHBondContact O-N 2.99Å; F143-A147 WeakPolarHBondContact O-CB 3.26Å; F143-A147 PolarHBondContact O-N 2.94Å; F143-M181 HydrophobicContact CD1-SD 3.91Å; F143-M181 HydrophobicContact CE1-SD 4.42Å; F143-Q184 HydrophobicContact CD1-CB 3.99Å; F143-Q184 HydrophobicContact CD2-CB 4.04Å; F143-Q184 HydrophobicContact CE1-CB 4.03Å; F143-Q184 HydrophobicContact CE2-CB 4.07Å; F143-Q184 HydrophobicContact CG-CB 4.02Å; F143-Q184 HydrophobicContact CZ-CB 4.06Å; F143-A185 HydrophobicContact CB-CB 3.76Å |
| 144 | Q | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 176.6 | -72.4 | 176.4 | 100.5 | 0 | 0 | 112.5 | T140 K141 A147 S148 A185 | T140-Q144 WeakPolarHBondContact O-CG 3.47Å; T140-Q144 PolarHBondContact O-N 2.87Å; T140-Q144 PolarHBondContact O-NE2 3.31Å; T140-Q144 VanDerWaalsContact O-NE2 3.09Å; K141-Q144 PolarHBondContact O-N 2.92Å; Q144-A147 PolarHBondContact O-N 3.04Å; Q144-S148 WeakPolarHBondContact O-CB 3.23Å; Q144-S148 PolarHBondContact O-N 3.14Å; Q144-S148 PolarHBondContact O-OG 3.07Å; Q144-A185 HydrophobicContact CG-CB 3.68Å |
| 145 | Q | 97.7 | Very high | 98 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.1 | -44 | 175.3 | -72.1 | -179.1 | -31.2 | 0 | 0 | 111.4 | K141 L142 F143 A147 S148 L149 | K141-Q145 VanDerWaalsContact CE-NE2 3.34Å; K141-Q145 HydrophobicContact CG-CG 4.46Å; K141-Q145 WeakPolarHBondContact O-CG 3.4Å; K141-Q145 PolarHBondContact O-N 3.22Å; L142-Q145 PolarHBondContact O-N 3.06Å; F143-Q145 PolarHBondContact O-N 2.8Å; Q145-A147 PolarHBondContact O-N 3.43Å; Q145-S148 WeakPolarHBondContact O-CB 3.35Å; Q145-S148 PolarHBondContact O-N 3.15Å; Q145-L149 WeakPolarHBondContact O-CG 3.39Å; Q145-L149 PolarHBondContact O-N 3.33Å |
| 146 | S | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | A118 L142 F143 S148 L149 Y150 M181 | A118-S146 WeakPolarHBondContact O-CB 3.39Å; A118-S146 PolarHBondContact O-OG 3.37Å; L142-S146 VanDerWaalsContact O-CB 3.31Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.28Å; F143-S146 PolarHBondContact O-N 2.99Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3Å; S146-L149 PolarHBondContact O-N 3.24Å; S146-Y150 WeakPolarHBondContact O-CD2 3.31Å; S146-Y150 PolarHBondContact O-N 3.08Å; S146-Y150 VanDerWaalsContact OG-CE2 3.31Å; S146-Y150 WeakPolarHBondContact OG-CE2 3.39Å; S146-M181 WeakPolarHBondContact OG-CG 3.2Å |
| 147 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F143 Q144 Q145 Y150 A151 S178 M181 L182 T335 | F143-A147 WeakPolarHBondContact O-CB 3.26Å; F143-A147 PolarHBondContact O-N 2.94Å; Q144-A147 PolarHBondContact O-N 3.04Å; Q145-A147 PolarHBondContact O-N 3.43Å; A147-Y150 PolarHBondContact O-N 2.96Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.13Å; A147-S178 PolarHBondContact O-OG 2.91Å; A147-M181 HydrophobicContact CB-CB 3.69Å; A147-L182 HydrophobicContact CB-CD2 3.8Å; A147-L182 HydrophobicContact CB-CG 3.81Å; A147-T335 HydrophobicContact CB-CG2 4.12Å |
| 148 | S | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | Q144 Q145 S146 A151 Y152 T335 S336 | Q144-S148 WeakPolarHBondContact O-CB 3.23Å; Q144-S148 PolarHBondContact O-N 3.14Å; Q144-S148 PolarHBondContact O-OG 3.07Å; Q145-S148 WeakPolarHBondContact O-CB 3.35Å; Q145-S148 PolarHBondContact O-N 3.15Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 3Å; S148-A151 PolarHBondContact O-N 3.42Å; S148-Y152 WeakPolarHBondContact O-CB 3.27Å; S148-Y152 PolarHBondContact O-N 3.03Å; S148-T335 WeakPolarHBondContact OG-CA 3.35Å; S148-S336 VanDerWaalsContact CB-O 3.31Å; S148-S336 WeakPolarHBondContact CB-O 3.38Å; S148-S336 PolarHBondContact OG-N 3.15Å; S148-S336 PolarHBondContact OG-O 3.27Å |
| 149 | L | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 176.4 | -72.6 | -178.4 | 0 | 0 | 0 | 112 | L114 I117 A118 Q145 S146 A151 Y152 L153 L338 M342 | L114-L149 HydrophobicContact CD2-CD2 3.99Å; I117-L149 HydrophobicContact CB-CD1 4.06Å; I117-L149 HydrophobicContact CG2-CD1 3.7Å; A118-L149 HydrophobicContact CB-CB 3.65Å; A118-L149 HydrophobicContact CB-CD1 3.97Å; A118-L149 HydrophobicContact CB-CG 4.47Å; Q145-L149 WeakPolarHBondContact O-CG 3.39Å; Q145-L149 PolarHBondContact O-N 3.33Å; S146-L149 PolarHBondContact O-N 3.24Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-Y152 PolarHBondContact O-N 3.11Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 2.95Å; L149-L338 HydrophobicContact CD2-CD1 3.96Å; L149-L338 HydrophobicContact CD2-CD2 3.9Å; L149-L338 HydrophobicContact CD2-CG 3.88Å; L149-M342 HydrophobicContact CD2-CE 3.77Å |
| 150 | Y | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.7 | -70.1 | -50 | 0 | 0 | 0 | 112.5 | F115 A118 S119 S146 A147 L153 K154 L174 L177 M181 | F115-Y150 HydrophobicContact CD2-CD1 4.34Å; F115-Y150 AromaticContact CD2-CE1 3.81Å; F115-Y150 HydrophobicContact CD2-CE1 3.81Å; F115-Y150 AromaticContact CE2-CE1 3.8Å; F115-Y150 HydrophobicContact CE2-CE1 3.8Å; F115-Y150 HydrophobicContact CG-CE1 4.48Å; F115-Y150 HydrophobicContact CZ-CE1 4.45Å; A118-Y150 HydrophobicContact CB-CD1 3.93Å; A118-Y150 HydrophobicContact CB-CD2 4.14Å; A118-Y150 HydrophobicContact CB-CE1 3.62Å; A118-Y150 HydrophobicContact CB-CE2 3.85Å; A118-Y150 HydrophobicContact CB-CG 4.18Å; S119-Y150 VanDerWaalsContact CA-OH 3.27Å; S119-Y150 WeakPolarHBondContact CA-OH 3.42Å; S119-Y150 PolarHBondContact N-OH 3.39Å; S119-Y150 PolarHBondContact OG-OH 3.44Å; S146-Y150 WeakPolarHBondContact O-CD2 3.31Å; S146-Y150 PolarHBondContact O-N 3.08Å; S146-Y150 VanDerWaalsContact OG-CE2 3.31Å; S146-Y150 WeakPolarHBondContact OG-CE2 3.39Å; A147-Y150 PolarHBondContact O-N 2.96Å; Y150-L153 PolarHBondContact O-N 3Å; Y150-K154 WeakPolarHBondContact O-CB 3.46Å; Y150-K154 PolarHBondContact O-N 3.42Å; Y150-L174 HydrophobicContact CD1-CD2 3.88Å; Y150-L177 HydrophobicContact CD1-CB 4.18Å; Y150-L177 HydrophobicContact CD1-CD1 4.12Å; Y150-L177 HydrophobicContact CD2-CB 3.72Å; Y150-L177 HydrophobicContact CE1-CB 4.3Å; Y150-L177 HydrophobicContact CE1-CD1 3.73Å; Y150-L177 HydrophobicContact CE2-CB 3.83Å; Y150-L177 HydrophobicContact CE2-CD1 4.49Å; Y150-L177 HydrophobicContact CG-CB 3.9Å; Y150-M181 HydrophobicContact CD2-CG 4.09Å; Y150-M181 HydrophobicContact CE2-CG 4Å |
| 151 | A | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A147 S148 L149 L153 K154 D155 T335 | A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3.13Å; S148-A151 PolarHBondContact O-N 3.42Å; L149-A151 VanDerWaalsContact C-N 3.35Å; A151-L153 PolarHBondContact O-N 3.5Å; A151-K154 WeakPolarHBondContact O-CB 3.42Å; A151-K154 PolarHBondContact O-N 3.49Å; A151-D155 PolarHBondContact O-N 2.81Å; A151-T335 HydrophobicContact CB-CG2 3.99Å |
| 152 | Y | 98.5 | Very high | 98 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.3 | -47 | 174.7 | 171.1 | -93.2 | 0 | 0 | 0 | 112.2 | L114 S148 L149 K154 D155 N156 M160 L338 | L114-Y152 HydrophobicContact CD1-CD1 3.83Å; L114-Y152 HydrophobicContact CD1-CE1 3.59Å; S148-Y152 WeakPolarHBondContact O-CB 3.27Å; S148-Y152 PolarHBondContact O-N 3.03Å; L149-Y152 PolarHBondContact O-N 3.11Å; Y152-K154 VanDerWaalsContact C-N 3.32Å; Y152-K154 PolarHBondContact O-N 2.73Å; Y152-D155 PolarHBondContact O-N 2.71Å; Y152-N156 PolarHBondContact O-N 3.04Å; Y152-N156 VanDerWaalsContact O-N 3.16Å; Y152-N156 PolarHBondContact O-ND2 3.04Å; Y152-M160 HydrophobicContact CE1-SD 4.42Å; Y152-L338 HydrophobicContact CD1-CD1 4.33Å; Y152-L338 HydrophobicContact CD1-CD2 3.57Å; Y152-L338 HydrophobicContact CD2-CD1 3.94Å; Y152-L338 HydrophobicContact CD2-CD2 3.9Å; Y152-L338 HydrophobicContact CD2-CG 4.36Å; Y152-L338 HydrophobicContact CE1-CD2 3.85Å; Y152-L338 HydrophobicContact CE2-CD2 4.15Å; Y152-L338 HydrophobicContact CG-CD1 3.61Å; Y152-L338 HydrophobicContact CG-CD2 3.61Å; Y152-L338 HydrophobicContact CG-CG 4.2Å |
| 153 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 177 | -72.7 | 171.4 | 0 | 0 | 0 | 110.7 | A111 L114 F115 L149 Y150 A151 D155 N156 I157 L174 | A111-L153 HydrophobicContact CB-CD2 4.02Å; L114-L153 HydrophobicContact CB-CD1 4.13Å; L114-L153 HydrophobicContact CB-CD2 4.08Å; L114-L153 HydrophobicContact CB-CG 4.32Å; L114-L153 HydrophobicContact CD1-CD2 4.17Å; F115-L153 HydrophobicContact CB-CD1 3.91Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 2.95Å; Y150-L153 PolarHBondContact O-N 3Å; A151-L153 PolarHBondContact O-N 3.5Å; L153-D155 PolarHBondContact O-N 3.4Å; L153-N156 PolarHBondContact O-N 3.26Å; L153-I157 WeakPolarHBondContact O-CA 3.35Å; L153-I157 WeakPolarHBondContact O-CB 3.48Å; L153-I157 WeakPolarHBondContact O-CG2 3.41Å; L153-I157 PolarHBondContact O-N 2.91Å; L153-L174 HydrophobicContact CB-CD1 3.77Å; L153-L174 HydrophobicContact CB-CD2 4.02Å; L153-L174 HydrophobicContact CB-CG 4.46Å; L153-L174 HydrophobicContact CD1-CD2 4.21Å |
| 154 | K | 98.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.4 | -44.3 | 178 | -172.7 | -145.2 | 80.3 | -154.8 | 0 | 112 | Y150 A151 Y152 P171 L174 Q175 | Y150-K154 WeakPolarHBondContact O-CB 3.46Å; Y150-K154 PolarHBondContact O-N 3.42Å; A151-K154 WeakPolarHBondContact O-CB 3.42Å; A151-K154 PolarHBondContact O-N 3.49Å; Y152-K154 VanDerWaalsContact C-N 3.32Å; Y152-K154 PolarHBondContact O-N 2.73Å; K154-P171 HydrophobicContact CG-CB 4.12Å; K154-P171 WeakPolarHBondContact CG-O 3.36Å; K154-L174 HydrophobicContact CB-CB 3.88Å; K154-L174 HydrophobicContact CG-CB 4.41Å; K154-Q175 HydrophobicContact CD-CB 3.76Å; K154-Q175 HydrophobicContact CD-CG 4.23Å; K154-Q175 HydrophobicContact CG-CB 4.16Å |
| 155 | D | 98.2 | Very high | 97.4 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -76.2 | -21.7 | -177.5 | -67 | -32.8 | 0 | 0 | 0 | 113.4 | A151 Y152 L153 | A151-D155 PolarHBondContact O-N 2.81Å; Y152-D155 PolarHBondContact O-N 2.71Å; L153-D155 PolarHBondContact O-N 3.4Å |
| 156 | N | 98.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -119.4 | -13.7 | -170 | -66 | -86.8 | 0 | 0 | 0 | 114.6 | Y152 L153 M158 A159 M160 | Y152-N156 PolarHBondContact O-N 3.04Å; Y152-N156 VanDerWaalsContact O-N 3.16Å; Y152-N156 PolarHBondContact O-ND2 3.04Å; L153-N156 PolarHBondContact O-N 3.26Å; N156-M158 VanDerWaalsContact C-N 3.33Å; N156-M158 PolarHBondContact O-N 3.41Å; N156-A159 PolarHBondContact O-N 3.4Å; N156-A159 VanDerWaalsContact O-N 3.1Å; N156-M160 HydrophobicContact CB-CG 4.39Å; N156-M160 HydrophobicContact CB-SD 3.99Å; N156-M160 WeakPolarHBondContact O-CG 3.43Å; N156-M160 PolarHBondContact O-N 2.66Å |
| 157 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | -166.1 | -169.6 | 66.3 | 0 | 0 | 0 | 112.8 | A111 L153 A159 M160 V161 L169 P171 L174 | A111-I157 HydrophobicContact CB-CD1 3.64Å; L153-I157 WeakPolarHBondContact O-CA 3.35Å; L153-I157 WeakPolarHBondContact O-CB 3.48Å; L153-I157 WeakPolarHBondContact O-CG2 3.41Å; L153-I157 PolarHBondContact O-N 2.91Å; I157-A159 VanDerWaalsContact C-N 3.29Å; I157-A159 PolarHBondContact O-N 2.5Å; I157-M160 PolarHBondContact O-N 3.46Å; I157-M160 VanDerWaalsContact O-N 3.17Å; I157-V161 HydrophobicContact CD1-CG2 3.53Å; I157-V161 HydrophobicContact CG1-CG2 3.82Å; I157-V161 WeakPolarHBondContact O-CB 3.46Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.3Å; I157-V161 PolarHBondContact O-N 3.08Å; I157-L169 HydrophobicContact CD1-CB 4.28Å; I157-L169 HydrophobicContact CD1-CD1 4.4Å; I157-L169 HydrophobicContact CD1-CD2 4.19Å; I157-L169 HydrophobicContact CG1-CB 4.23Å; I157-L169 WeakPolarHBondContact CG1-O 3.49Å; I157-P171 HydrophobicContact CG2-CG 3.9Å; I157-L174 HydrophobicContact CB-CD1 4.17Å; I157-L174 HydrophobicContact CG1-CD1 4.45Å; I157-L174 HydrophobicContact CG2-CD1 4.02Å |
| 158 | M | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 44 Ų | 44 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -36.3 | -179 | -62.1 | -54 | -64.8 | 0 | 0 | 111.8 | N156 Q162 P165 P171 | N156-M158 VanDerWaalsContact C-N 3.33Å; N156-M158 PolarHBondContact O-N 3.41Å; M158-Q162 WeakPolarHBondContact O-CA 3.45Å; M158-Q162 PolarHBondContact O-N 2.95Å; M158-P165 HydrophobicContact SD-CG 4.44Å; M158-P171 HydrophobicContact CG-CG 4.21Å; M158-P171 HydrophobicContact SD-CG 4.29Å |
| 159 | A | 97.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -74 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N156 I157 Q162 | N156-A159 PolarHBondContact O-N 3.4Å; N156-A159 VanDerWaalsContact O-N 3.1Å; I157-A159 VanDerWaalsContact C-N 3.29Å; I157-A159 PolarHBondContact O-N 2.5Å; A159-Q162 WeakPolarHBondContact O-CG 3.38Å; A159-Q162 PolarHBondContact O-NE2 3.25Å |
| 160 | M | 97.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.5 | -34.8 | 179.3 | -65.3 | 175.6 | 83.6 | 0 | 0 | 112.9 | S107 K110 A111 Y152 N156 I157 | S107-M160 WeakPolarHBondContact CB-O 3.35Å; S107-M160 WeakPolarHBondContact O-CE 3.42Å; K110-M160 HydrophobicContact CB-CE 3.92Å; A111-M160 HydrophobicContact CB-CB 4.41Å; A111-M160 HydrophobicContact CB-CE 3.84Å; A111-M160 HydrophobicContact CB-SD 4.14Å; Y152-M160 HydrophobicContact CE1-SD 4.42Å; N156-M160 HydrophobicContact CB-CG 4.39Å; N156-M160 HydrophobicContact CB-SD 3.99Å; N156-M160 WeakPolarHBondContact O-CG 3.43Å; N156-M160 PolarHBondContact O-N 2.66Å; I157-M160 PolarHBondContact O-N 3.46Å; I157-M160 VanDerWaalsContact O-N 3.17Å |
| 161 | V | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -93 | -34.9 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L101 I103 Y108 I157 Q163 P165 | L101-V161 HydrophobicContact CD2-CG1 4.47Å; I103-V161 HydrophobicContact CD1-CG1 3.59Å; Y108-V161 HydrophobicContact CD2-CG1 4.49Å; Y108-V161 HydrophobicContact CD2-CG2 4.07Å; I157-V161 HydrophobicContact CD1-CG2 3.53Å; I157-V161 HydrophobicContact CG1-CG2 3.82Å; I157-V161 WeakPolarHBondContact O-CB 3.46Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.3Å; I157-V161 PolarHBondContact O-N 3.08Å; V161-Q163 HydrophobicContact CG1-CG 3.8Å; V161-Q163 VanDerWaalsContact CG1-O 3.32Å; V161-Q163 WeakPolarHBondContact CG1-O 3.46Å; V161-Q163 PolarHBondContact O-N 3Å; V161-P165 HydrophobicContact CG1-CB 4.16Å; V161-P165 HydrophobicContact CG2-CB 4.33Å |
| 162 | Q | 94.5 | Very high | 96.3 | Very high | 167 Ų | 167 | 50.1 Ų | 50.1 | 78% | 0.78 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 56.9 | 15.5 | 179.9 | -54.6 | -175.4 | -1.8 | 0 | 0 | 115.4 | M158 A159 | M158-Q162 WeakPolarHBondContact O-CA 3.45Å; M158-Q162 PolarHBondContact O-N 2.95Å; A159-Q162 WeakPolarHBondContact O-CG 3.38Å; A159-Q162 PolarHBondContact O-NE2 3.25Å |
| 163 | Q | 94.7 | Very high | 96.1 | Very high | 85 Ų | 85 | 47 Ų | 47 | 40% | 0.397 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -155.5 | 173.9 | 172.4 | 61.5 | 179.4 | 36.2 | 0 | 0 | 108 | L101 I103 V161 P165 | L101-Q163 VanDerWaalsContact CD1-NE2 3.29Å; I103-Q163 HydrophobicContact CD1-CG 3.88Å; V161-Q163 HydrophobicContact CG1-CG 3.8Å; V161-Q163 VanDerWaalsContact CG1-O 3.32Å; V161-Q163 WeakPolarHBondContact CG1-O 3.46Å; V161-Q163 PolarHBondContact O-N 3Å; Q163-P165 VanDerWaalsContact O-CD 3.29Å; Q163-P165 WeakPolarHBondContact O-CD 3.48Å |
| 164 | E | 94.1 | Very high | 96.1 | Very high | 134 Ų | 134 | 47 Ų | 47 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -61 | 117.8 | 177.2 | -171 | -179.3 | -170.2 | 0 | 0 | 111.1 | ||
| 165 | P | 94.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 172.1 | 179.3 | 33.7 | -34.8 | 0 | 0 | 0 | 111.8 | M158 V161 Q163 L169 M170 | M158-P165 HydrophobicContact SD-CG 4.44Å; V161-P165 HydrophobicContact CG1-CB 4.16Å; V161-P165 HydrophobicContact CG2-CB 4.33Å; Q163-P165 VanDerWaalsContact O-CD 3.29Å; Q163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-L169 HydrophobicContact CB-CB 3.83Å; P165-L169 HydrophobicContact CG-CB 4.45Å; P165-M170 HydrophobicContact CG-CG 4.38Å; P165-M170 HydrophobicContact CG-SD 3.58Å; P165-M170 VanDerWaalsContact CG-SD 3.58Å |
| 166 | T | 94 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 156.6 | 168 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | K2 E89 K98 L101 D168 L169 M170 | K2-T166 PolarHBondContact NZ-OG1 2.96Å; E89-T166 HydrophobicContact CB-CG2 4.44Å; K98-T166 HydrophobicContact CB-CG2 4.44Å; K98-T166 WeakPolarHBondContact O-CG2 3.32Å; L101-T166 HydrophobicContact CB-CG2 3.77Å; L101-T166 HydrophobicContact CD2-CG2 4.47Å; T166-D168 VanDerWaalsContact CB-OD1 3.26Å; T166-D168 WeakPolarHBondContact CB-OD1 3.45Å; T166-D168 PolarHBondContact O-N 3.2Å; T166-D168 VanDerWaalsContact O-N 3.12Å; T166-D168 PolarHBondContact OG1-OD1 3.4Å; T166-L169 PolarHBondContact O-N 2.85Å; T166-M170 PolarHBondContact O-N 3.49Å |
| 167 | A | 92.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -62.7 | -28.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E89 L169 M170 T173 M229 | E89-A167 VanDerWaalsContact OE1-CB 3.28Å; E89-A167 WeakPolarHBondContact OE1-CB 2.99Å; A167-L169 PolarHBondContact O-N 3Å; A167-M170 PolarHBondContact O-N 2.89Å; A167-T173 WeakPolarHBondContact O-CB 3.42Å; A167-T173 PolarHBondContact O-OG1 2.93Å; A167-M229 HydrophobicContact CB-CE 3.54Å |
| 168 | D | 94.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63.8 | -22.4 | 172.8 | 65.3 | -23.7 | 0 | 0 | 0 | 114.8 | K2 E89 A90 F91 F115 T166 | K2-D168 WeakPolarHBondContact CD-OD2 3.31Å; K2-D168 VanDerWaalsContact CG-OD2 3.25Å; K2-D168 WeakPolarHBondContact CG-OD2 3.39Å; K2-D168 IonicContact NZ-OD1 3.88Å; K2-D168 PolarHBondContact NZ-OD1 3.43Å; K2-D168 IonicContact NZ-OD2 3.8Å; K2-D168 PolarHBondContact NZ-OD2 3.3Å; E89-D168 HydrophobicContact CG-CB 4.06Å; A90-D168 HydrophobicContact CB-CB 4.05Å; A90-D168 VanDerWaalsContact CB-OD2 3.27Å; A90-D168 WeakPolarHBondContact CB-OD2 3.23Å; A90-D168 PolarHBondContact N-OD2 3.22Å; F91-D168 HydrophobicContact CD2-CB 3.76Å; F91-D168 HydrophobicContact CE2-CB 3.52Å; F91-D168 HydrophobicContact CG-CB 4.45Å; F91-D168 HydrophobicContact CZ-CB 3.99Å; F115-D168 HydrophobicContact CE2-CB 4.31Å; F115-D168 VanDerWaalsContact CE2-O 3.23Å; F115-D168 WeakPolarHBondContact CE2-O 3.45Å; F115-D168 HydrophobicContact CZ-CB 4.05Å; T166-D168 VanDerWaalsContact CB-OD1 3.26Å; T166-D168 WeakPolarHBondContact CB-OD1 3.45Å; T166-D168 PolarHBondContact O-N 3.2Å; T166-D168 VanDerWaalsContact O-N 3.12Å; T166-D168 PolarHBondContact OG1-OD1 3.4Å |
| 169 | L | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -104.4 | 1.4 | 178.8 | -71.2 | 177 | 0 | 0 | 0 | 112.7 | K2 Y108 F115 I157 P165 T166 A167 L174 | K2-L169 HydrophobicContact CD-CD1 4.38Å; K2-L169 HydrophobicContact CD-CG 4.5Å; Y108-L169 HydrophobicContact CE2-CD1 4.31Å; F115-L169 HydrophobicContact CB-CD2 3.91Å; F115-L169 HydrophobicContact CD2-CD2 3.68Å; F115-L169 HydrophobicContact CE2-CD2 4.49Å; F115-L169 HydrophobicContact CG-CD2 3.95Å; I157-L169 HydrophobicContact CD1-CB 4.28Å; I157-L169 HydrophobicContact CD1-CD1 4.4Å; I157-L169 HydrophobicContact CD1-CD2 4.19Å; I157-L169 HydrophobicContact CG1-CB 4.23Å; I157-L169 WeakPolarHBondContact CG1-O 3.49Å; P165-L169 HydrophobicContact CB-CB 3.83Å; P165-L169 HydrophobicContact CG-CB 4.45Å; T166-L169 PolarHBondContact O-N 2.85Å; A167-L169 PolarHBondContact O-N 3Å; L169-L174 VanDerWaalsContact O-CD1 3.23Å; L169-L174 WeakPolarHBondContact O-CD1 3.5Å |
| 170 | M | 95.5 | Very high | 96.2 | Very high | 54 Ų | 54 | 33.5 Ų | 33.5 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -64 | 141.9 | 174.5 | -71.1 | -66.5 | -69.8 | 0 | 0 | 110.7 | P165 T166 A167 E172 T173 L174 | P165-M170 HydrophobicContact CG-CG 4.38Å; P165-M170 HydrophobicContact CG-SD 3.58Å; P165-M170 VanDerWaalsContact CG-SD 3.58Å; T166-M170 PolarHBondContact O-N 3.49Å; A167-M170 PolarHBondContact O-N 2.89Å; M170-E172 VanDerWaalsContact C-N 3.27Å; M170-E172 PolarHBondContact O-N 2.99Å; M170-T173 WeakPolarHBondContact O-CB 3.4Å; M170-T173 PolarHBondContact O-N 3.37Å; M170-L174 WeakPolarHBondContact O-CG 3.32Å; M170-L174 PolarHBondContact O-N 3.01Å |
| 171 | P | 97.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -51.4 | -42.4 | -179.3 | -28.9 | 35.7 | 0 | 0 | 0 | 113.7 | K154 I157 M158 T173 L174 Q175 | K154-P171 HydrophobicContact CG-CB 4.12Å; K154-P171 WeakPolarHBondContact CG-O 3.36Å; I157-P171 HydrophobicContact CG2-CG 3.9Å; M158-P171 HydrophobicContact CG-CG 4.21Å; M158-P171 HydrophobicContact SD-CG 4.29Å; P171-T173 VanDerWaalsContact C-N 3.33Å; P171-T173 PolarHBondContact O-N 3.13Å; P171-L174 PolarHBondContact O-N 3.21Å; P171-Q175 WeakPolarHBondContact O-CB 3.39Å; P171-Q175 PolarHBondContact O-N 3.27Å |
| 172 | E | 95.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.9 | -66 | 73 | -161.1 | 0 | 0 | 112.1 | M170 T176 F226 | M170-E172 VanDerWaalsContact C-N 3.27Å; M170-E172 PolarHBondContact O-N 2.99Å; E172-T176 WeakPolarHBondContact O-CB 3.49Å; E172-T176 PolarHBondContact O-N 3.44Å; E172-T176 PolarHBondContact O-OG1 3.17Å; E172-F226 HydrophobicContact CB-CE1 3.87Å; E172-F226 HydrophobicContact CB-CZ 3.53Å; E172-F226 HydrophobicContact CG-CZ 4.3Å |
| 173 | T | 95.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 175 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | F91 A167 M170 P171 Q175 T176 L177 M229 W230 | F91-T173 HydrophobicContact CE2-CG2 3.66Å; F91-T173 HydrophobicContact CZ-CG2 4Å; A167-T173 WeakPolarHBondContact O-CB 3.42Å; A167-T173 PolarHBondContact O-OG1 2.93Å; M170-T173 WeakPolarHBondContact O-CB 3.4Å; M170-T173 PolarHBondContact O-N 3.37Å; P171-T173 VanDerWaalsContact C-N 3.33Å; P171-T173 PolarHBondContact O-N 3.13Å; T173-Q175 VanDerWaalsContact C-N 3.33Å; T173-Q175 PolarHBondContact O-N 2.88Å; T173-T176 WeakPolarHBondContact O-CB 3.37Å; T173-T176 PolarHBondContact O-N 3.25Å; T173-T176 VanDerWaalsContact O-N 3.08Å; T173-L177 HydrophobicContact CG2-CD1 4.18Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 WeakPolarHBondContact O-CG 3.42Å; T173-L177 PolarHBondContact O-N 3.48Å; T173-M229 HydrophobicContact CG2-SD 4.22Å; T173-W230 HydrophobicContact CG2-CH2 3.57Å; T173-W230 HydrophobicContact CG2-CZ3 4.04Å |
| 174 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | -179.6 | -66.8 | 167.8 | 0 | 0 | 0 | 111.9 | F115 Y150 L153 K154 I157 L169 M170 P171 T176 L177 S178 | F115-L174 HydrophobicContact CD2-CD2 3.88Å; F115-L174 HydrophobicContact CE2-CD2 4.15Å; Y150-L174 HydrophobicContact CD1-CD2 3.88Å; L153-L174 HydrophobicContact CB-CD1 3.77Å; L153-L174 HydrophobicContact CB-CD2 4.02Å; L153-L174 HydrophobicContact CB-CG 4.46Å; L153-L174 HydrophobicContact CD1-CD2 4.21Å; K154-L174 HydrophobicContact CB-CB 3.88Å; K154-L174 HydrophobicContact CG-CB 4.41Å; I157-L174 HydrophobicContact CB-CD1 4.17Å; I157-L174 HydrophobicContact CG1-CD1 4.45Å; I157-L174 HydrophobicContact CG2-CD1 4.02Å; L169-L174 VanDerWaalsContact O-CD1 3.23Å; L169-L174 WeakPolarHBondContact O-CD1 3.5Å; M170-L174 WeakPolarHBondContact O-CG 3.32Å; M170-L174 PolarHBondContact O-N 3.01Å; P171-L174 PolarHBondContact O-N 3.21Å; L174-T176 VanDerWaalsContact C-N 3.33Å; L174-T176 PolarHBondContact O-N 3.42Å; L174-L177 PolarHBondContact O-N 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.44Å; L174-S178 PolarHBondContact O-N 3.03Å |
| 175 | Q | 98.2 | Very high | 97 | Very high | 63 Ų | 63 | 17.1 Ų | 17.1 | 29% | 0.294 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.1 | -176.7 | 58 | 57.9 | 0 | 0 | 111.8 | K154 P171 T173 S178 M179 M220 | K154-Q175 HydrophobicContact CD-CB 3.76Å; K154-Q175 HydrophobicContact CD-CG 4.23Å; K154-Q175 HydrophobicContact CG-CB 4.16Å; P171-Q175 WeakPolarHBondContact O-CB 3.39Å; P171-Q175 PolarHBondContact O-N 3.27Å; T173-Q175 VanDerWaalsContact C-N 3.33Å; T173-Q175 PolarHBondContact O-N 2.88Å; Q175-S178 PolarHBondContact O-N 3.38Å; Q175-M179 WeakPolarHBondContact O-CB 3.28Å; Q175-M179 PolarHBondContact O-N 3.1Å; Q175-M220 HydrophobicContact CB-CE 3.85Å; Q175-M220 HydrophobicContact CG-CE 3.43Å; Q175-M220 VanDerWaalsContact CG-CE 3.43Å; Q175-M220 HydrophobicContact CG-SD 4.3Å |
| 176 | T | 97.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | E172 T173 L174 M179 F180 M220 L221 W230 | E172-T176 WeakPolarHBondContact O-CB 3.49Å; E172-T176 PolarHBondContact O-N 3.44Å; E172-T176 PolarHBondContact O-OG1 3.17Å; T173-T176 WeakPolarHBondContact O-CB 3.37Å; T173-T176 PolarHBondContact O-N 3.25Å; T173-T176 VanDerWaalsContact O-N 3.08Å; L174-T176 VanDerWaalsContact C-N 3.33Å; L174-T176 PolarHBondContact O-N 3.42Å; T176-M179 PolarHBondContact O-N 3.21Å; T176-F180 WeakPolarHBondContact O-CB 3.38Å; T176-F180 PolarHBondContact O-N 3.26Å; T176-M220 HydrophobicContact CG2-CB 3.86Å; T176-M220 VanDerWaalsContact OG1-CE 3.27Å; T176-M220 WeakPolarHBondContact OG1-CE 3.44Å; T176-L221 HydrophobicContact CG2-CD2 3.69Å; T176-L221 HydrophobicContact CG2-CG 3.96Å; T176-W230 HydrophobicContact CG2-CH2 4.15Å; T176-W230 HydrophobicContact CG2-CZ2 3.77Å |
| 177 | L | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 17.5 Ų | 17.5 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 175.5 | -66.7 | 173.7 | 0 | 0 | 0 | 111.6 | F91 F115 Y150 T173 L174 F180 M181 W230 W234 | F91-L177 HydrophobicContact CZ-CD1 4.35Å; F115-L177 HydrophobicContact CE2-CD1 3.91Å; F115-L177 HydrophobicContact CZ-CD1 4.3Å; Y150-L177 HydrophobicContact CD1-CB 4.18Å; Y150-L177 HydrophobicContact CD1-CD1 4.12Å; Y150-L177 HydrophobicContact CD2-CB 3.72Å; Y150-L177 HydrophobicContact CE1-CB 4.3Å; Y150-L177 HydrophobicContact CE1-CD1 3.73Å; Y150-L177 HydrophobicContact CE2-CB 3.83Å; Y150-L177 HydrophobicContact CE2-CD1 4.49Å; Y150-L177 HydrophobicContact CG-CB 3.9Å; T173-L177 HydrophobicContact CG2-CD1 4.18Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 WeakPolarHBondContact O-CG 3.42Å; T173-L177 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.23Å; L177-M181 VanDerWaalsContact O-CG 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.34Å; L177-M181 PolarHBondContact O-N 2.77Å; L177-W230 HydrophobicContact CD2-CZ3 4.19Å; L177-W234 HydrophobicContact CD2-CH2 4.08Å; L177-W234 HydrophobicContact CD2-CZ3 3.91Å |
| 178 | S | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 112 | A147 L174 Q175 F180 M181 L182 | A147-S178 PolarHBondContact O-OG 2.91Å; L174-S178 WeakPolarHBondContact O-CB 3.44Å; L174-S178 PolarHBondContact O-N 3.03Å; Q175-S178 PolarHBondContact O-N 3.38Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 3.38Å; S178-M181 PolarHBondContact O-N 3.09Å; S178-L182 PolarHBondContact O-N 2.9Å |
| 179 | M | 98.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.4 | -171.2 | 64.3 | -107.4 | 0 | 0 | 111.7 | Q175 T176 M181 L182 A183 M213 E216 A217 M220 | Q175-M179 WeakPolarHBondContact O-CB 3.28Å; Q175-M179 PolarHBondContact O-N 3.1Å; T176-M179 PolarHBondContact O-N 3.21Å; M179-M181 VanDerWaalsContact C-N 3.34Å; M179-M181 PolarHBondContact O-N 3.42Å; M179-L182 HydrophobicContact CE-CB 3.95Å; M179-L182 HydrophobicContact CE-CD1 4.42Å; M179-L182 PolarHBondContact O-N 2.85Å; M179-A183 PolarHBondContact O-N 3.32Å; M179-M213 HydrophobicContact CE-CB 3.53Å; M179-M213 HydrophobicContact CE-CG 3.62Å; M179-M213 HydrophobicContact CE-SD 4.06Å; M179-E216 HydrophobicContact CG-CB 4.32Å; M179-E216 HydrophobicContact SD-CB 4.37Å; M179-A217 HydrophobicContact CG-CB 4.07Å; M179-M220 HydrophobicContact CB-SD 4.19Å; M179-M220 HydrophobicContact CG-SD 4.44Å |
| 180 | F | 97.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 178.5 | -160.7 | -123.3 | 0 | 0 | 0 | 112.2 | T176 L177 S178 A183 Q184 Y214 A217 L221 | T176-F180 WeakPolarHBondContact O-CB 3.38Å; T176-F180 PolarHBondContact O-N 3.26Å; L177-F180 PolarHBondContact O-N 3.23Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 3.38Å; F180-A183 PolarHBondContact O-N 3.26Å; F180-Q184 WeakPolarHBondContact O-CG 3.18Å; F180-Q184 PolarHBondContact O-N 3.47Å; F180-Q184 VanDerWaalsContact O-N 3.13Å; F180-Y214 HydrophobicContact CD2-CE1 4.47Å; F180-Y214 HydrophobicContact CE2-CD1 4.38Å; F180-Y214 HydrophobicContact CE2-CE1 4.03Å; F180-A217 HydrophobicContact CB-CB 4.49Å; F180-A217 HydrophobicContact CD2-CB 3.88Å; F180-L221 HydrophobicContact CD2-CD1 4.25Å; F180-L221 HydrophobicContact CE2-CD1 4.25Å |
| 181 | M | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 174.7 | -66.9 | -56.9 | 97.4 | 0 | 0 | 112.7 | S122 F143 S146 A147 Y150 L177 S178 M179 Q184 A185 | S122-M181 WeakPolarHBondContact CB-SD 3.37Å; F143-M181 HydrophobicContact CD1-SD 3.91Å; F143-M181 HydrophobicContact CE1-SD 4.42Å; S146-M181 WeakPolarHBondContact OG-CG 3.2Å; A147-M181 HydrophobicContact CB-CB 3.69Å; Y150-M181 HydrophobicContact CD2-CG 4.09Å; Y150-M181 HydrophobicContact CE2-CG 4Å; L177-M181 VanDerWaalsContact O-CG 3.28Å; L177-M181 WeakPolarHBondContact O-CG 3.34Å; L177-M181 PolarHBondContact O-N 2.77Å; S178-M181 PolarHBondContact O-N 3.09Å; M179-M181 VanDerWaalsContact C-N 3.34Å; M179-M181 PolarHBondContact O-N 3.42Å; M181-Q184 PolarHBondContact O-N 3.23Å; M181-A185 PolarHBondContact O-N 2.88Å |
| 182 | L | 98.8 | Very high | 98 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 13% | 0.126 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 173.3 | -73.2 | 177 | 0 | 0 | 0 | 112 | A147 S178 M179 Q184 A185 Q186 M213 A333 T335 | A147-L182 HydrophobicContact CB-CD2 3.8Å; A147-L182 HydrophobicContact CB-CG 3.81Å; S178-L182 PolarHBondContact O-N 2.9Å; M179-L182 HydrophobicContact CE-CB 3.95Å; M179-L182 HydrophobicContact CE-CD1 4.42Å; M179-L182 PolarHBondContact O-N 2.85Å; L182-Q184 VanDerWaalsContact C-N 3.32Å; L182-Q184 PolarHBondContact O-N 2.67Å; L182-A185 PolarHBondContact O-N 3.12Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 PolarHBondContact O-N 3.31Å; L182-M213 HydrophobicContact CB-SD 4.2Å; L182-A333 HydrophobicContact CD2-CB 4.24Å; L182-A333 WeakPolarHBondContact O-CB 3.5Å; L182-T335 HydrophobicContact CD1-CG2 4.2Å; L182-T335 HydrophobicContact CD2-CG2 4.15Å; L182-T335 HydrophobicContact CG-CG2 4.42Å |
| 183 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M179 F180 Q186 E187 M213 Y214 | M179-A183 PolarHBondContact O-N 3.32Å; F180-A183 PolarHBondContact O-N 3.26Å; A183-Q186 PolarHBondContact O-N 3.29Å; A183-E187 PolarHBondContact O-N 3.32Å; A183-M213 HydrophobicContact CB-CB 3.77Å; A183-Y214 HydrophobicContact CB-CD1 3.73Å; A183-Y214 HydrophobicContact CB-CD2 4.25Å; A183-Y214 HydrophobicContact CB-CE1 3.63Å; A183-Y214 HydrophobicContact CB-CE2 4.2Å; A183-Y214 HydrophobicContact CB-CG 4.02Å |
| 184 | Q | 98.6 | Very high | 98 | Very high | 29 Ų | 29 | 20.2 Ų | 20.2 | 14% | 0.136 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 176 | -70.7 | -179 | -15.6 | 0 | 0 | 113 | F143 F180 M181 L182 E187 A188 Y214 | F143-Q184 HydrophobicContact CD1-CB 3.99Å; F143-Q184 HydrophobicContact CD2-CB 4.04Å; F143-Q184 HydrophobicContact CE1-CB 4.03Å; F143-Q184 HydrophobicContact CE2-CB 4.07Å; F143-Q184 HydrophobicContact CG-CB 4.02Å; F143-Q184 HydrophobicContact CZ-CB 4.06Å; F180-Q184 WeakPolarHBondContact O-CG 3.18Å; F180-Q184 PolarHBondContact O-N 3.47Å; F180-Q184 VanDerWaalsContact O-N 3.13Å; M181-Q184 PolarHBondContact O-N 3.23Å; L182-Q184 VanDerWaalsContact C-N 3.32Å; L182-Q184 PolarHBondContact O-N 2.67Å; Q184-E187 PolarHBondContact O-N 3.43Å; Q184-A188 PolarHBondContact O-N 2.87Å; Q184-Y214 WeakPolarHBondContact CG-OH 3.41Å |
| 185 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F143 Q144 M181 L182 E187 A188 F189 A333 | F143-A185 HydrophobicContact CB-CB 3.76Å; Q144-A185 HydrophobicContact CG-CB 3.68Å; M181-A185 PolarHBondContact O-N 2.88Å; L182-A185 PolarHBondContact O-N 3.12Å; A185-E187 VanDerWaalsContact C-N 3.32Å; A185-A188 WeakPolarHBondContact O-CB 3.28Å; A185-A188 PolarHBondContact O-N 3.41Å; A185-F189 WeakPolarHBondContact O-CD2 3.45Å; A185-F189 PolarHBondContact O-N 2.93Å; A185-A333 HydrophobicContact CB-CB 3.64Å |
| 186 | Q | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.8 | -174.4 | 68.9 | 22.8 | 0 | 0 | 111.2 | L182 A183 F189 F190 I206 E209 C210 M213 T330 A333 | L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 PolarHBondContact O-N 3.31Å; A183-Q186 PolarHBondContact O-N 3.29Å; Q186-F189 WeakPolarHBondContact O-CB 3.38Å; Q186-F189 PolarHBondContact O-N 3.19Å; Q186-F190 PolarHBondContact O-N 3.1Å; Q186-I206 PolarHBondContact NE2-O 2.7Å; Q186-E209 HydrophobicContact CG-CG 4.23Å; Q186-C210 HydrophobicContact CB-CB 4.48Å; Q186-C210 HydrophobicContact CG-CB 3.77Å; Q186-M213 HydrophobicContact CB-SD 3.59Å; Q186-M213 VanDerWaalsContact CB-SD 3.59Å; Q186-M213 HydrophobicContact CG-SD 3.96Å; Q186-T330 PolarHBondContact NE2-O 3.39Å; Q186-A333 HydrophobicContact CB-CB 3.92Å |
| 187 | E | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 170.3 | 164.4 | 168.3 | 169.4 | 0 | 0 | 111.7 | A183 Q184 A185 F189 F190 L191 Y214 K241 F245 | A183-E187 PolarHBondContact O-N 3.32Å; Q184-E187 PolarHBondContact O-N 3.43Å; A185-E187 VanDerWaalsContact C-N 3.32Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 2.98Å; E187-F190 WeakPolarHBondContact O-CA 3.36Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E187-F190 PolarHBondContact O-N 3.24Å; E187-F190 VanDerWaalsContact O-N 3.07Å; E187-L191 HydrophobicContact CG-CD1 4.22Å; E187-L191 HydrophobicContact CG-CG 4.47Å; E187-L191 WeakPolarHBondContact O-CG 3.32Å; E187-L191 PolarHBondContact O-N 2.76Å; E187-Y214 HydrophobicContact CB-CE2 4.28Å; E187-Y214 VanDerWaalsContact OE2-CE2 3.31Å; E187-Y214 WeakPolarHBondContact OE2-CE2 3.35Å; E187-Y214 VanDerWaalsContact OE2-CZ 3.26Å; E187-Y214 PolarHBondContact OE2-OH 3.02Å; E187-K241 IonicContact OE1-NZ 3.78Å; E187-K241 PolarHBondContact OE1-NZ 3.06Å; E187-K241 WeakPolarHBondContact OE2-CD 3.5Å; E187-K241 IonicContact OE2-NZ 3.42Å; E187-K241 PolarHBondContact OE2-NZ 3.36Å; E187-F245 HydrophobicContact CB-CE2 4.21Å; E187-F245 HydrophobicContact CB-CZ 3.92Å; E187-F245 HydrophobicContact CG-CE2 4.12Å; E187-F245 HydrophobicContact CG-CZ 3.66Å |
| 188 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L136 T140 Q184 A185 L191 K192 | L136-A188 HydrophobicContact CD1-CB 3.8Å; T140-A188 HydrophobicContact CG2-CB 4.43Å; T140-A188 WeakPolarHBondContact OG1-CB 3.42Å; Q184-A188 PolarHBondContact O-N 2.87Å; A185-A188 WeakPolarHBondContact O-CB 3.28Å; A185-A188 PolarHBondContact O-N 3.41Å; A188-L191 PolarHBondContact O-N 3.44Å; A188-K192 PolarHBondContact O-N 2.7Å; A188-K192 VanDerWaalsContact O-N 3.1Å |
| 189 | F | 98.2 | Very high | 96.3 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 23% | 0.228 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 170.4 | -78.7 | -63.8 | 0 | 0 | 0 | 112.8 | T140 A185 Q186 E187 K192 A193 I206 L332 A333 | T140-F189 HydrophobicContact CG2-CD1 4.13Å; T140-F189 HydrophobicContact CG2-CD2 3.82Å; T140-F189 HydrophobicContact CG2-CE1 3.82Å; T140-F189 HydrophobicContact CG2-CE2 3.48Å; T140-F189 VanDerWaalsContact CG2-CE2 3.48Å; T140-F189 HydrophobicContact CG2-CG 4.13Å; T140-F189 HydrophobicContact CG2-CZ 3.49Å; T140-F189 VanDerWaalsContact CG2-CZ 3.49Å; A185-F189 WeakPolarHBondContact O-CD2 3.45Å; A185-F189 PolarHBondContact O-N 2.93Å; Q186-F189 WeakPolarHBondContact O-CB 3.38Å; Q186-F189 PolarHBondContact O-N 3.19Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 2.98Å; F189-K192 PolarHBondContact O-N 2.89Å; F189-A193 VanDerWaalsContact O-CB 3.3Å; F189-A193 WeakPolarHBondContact O-CB 3.42Å; F189-A193 PolarHBondContact O-N 3.35Å; F189-I206 HydrophobicContact CB-CG2 4.47Å; F189-L332 HydrophobicContact CB-CB 4.17Å; F189-L332 HydrophobicContact CB-CD1 3.77Å; F189-L332 HydrophobicContact CD1-CB 4.11Å; F189-L332 HydrophobicContact CD1-CD1 4.05Å; F189-L332 HydrophobicContact CD2-CB 3.52Å; F189-L332 HydrophobicContact CE1-CB 4.36Å; F189-L332 HydrophobicContact CE2-CB 3.81Å; F189-L332 HydrophobicContact CG-CB 3.68Å; F189-L332 HydrophobicContact CG-CD1 3.92Å; F189-L332 HydrophobicContact CG-CG 4.47Å; F189-L332 HydrophobicContact CZ-CB 4.22Å; F189-A333 HydrophobicContact CD2-CB 4.37Å; F189-A333 HydrophobicContact CE2-CB 4.36Å |
| 190 | F | 98.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 173.8 | 167.4 | -91.3 | 0 | 0 | 0 | 111.5 | Q186 E187 K192 A193 S194 V203 I206 A207 F245 L248 Y252 | Q186-F190 PolarHBondContact O-N 3.1Å; E187-F190 WeakPolarHBondContact O-CA 3.36Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E187-F190 PolarHBondContact O-N 3.24Å; E187-F190 VanDerWaalsContact O-N 3.07Å; F190-K192 PolarHBondContact O-N 2.89Å; F190-A193 CarbonylContact O-C 3.56Å; F190-A193 WeakPolarHBondContact O-CA 3.21Å; F190-A193 WeakPolarHBondContact O-CB 3.28Å; F190-A193 PolarHBondContact O-N 3.17Å; F190-S194 WeakPolarHBondContact O-CB 3.46Å; F190-S194 PolarHBondContact O-N 3.06Å; F190-S194 PolarHBondContact O-OG 3.36Å; F190-V203 HydrophobicContact CD2-CG1 3.97Å; F190-V203 HydrophobicContact CE2-CG1 3.59Å; F190-V203 HydrophobicContact CZ-CG1 4.49Å; F190-I206 HydrophobicContact CB-CG2 3.85Å; F190-A207 HydrophobicContact CD2-CB 3.7Å; F190-A207 HydrophobicContact CE2-CB 3.7Å; F190-F245 HydrophobicContact CB-CE1 4.2Å; F190-F245 HydrophobicContact CD1-CD1 4.42Å; F190-F245 AromaticContact CD1-CE1 3.48Å; F190-F245 HydrophobicContact CD1-CE1 3.48Å; F190-F245 VanDerWaalsContact CD1-CE1 3.48Å; F190-F245 HydrophobicContact CD1-CZ 4.28Å; F190-F245 HydrophobicContact CD2-CE1 4.38Å; F190-F245 AromaticContact CE1-CE1 3.86Å; F190-F245 HydrophobicContact CE1-CE1 3.86Å; F190-F245 HydrophobicContact CG-CD1 4.4Å; F190-F245 AromaticContact CG-CE1 3.75Å; F190-F245 HydrophobicContact CG-CE1 3.75Å; F190-F245 HydrophobicContact CZ-CE1 4.46Å; F190-L248 HydrophobicContact CE1-CD1 3.93Å; F190-L248 HydrophobicContact CE2-CB 4.4Å; F190-L248 HydrophobicContact CZ-CB 4.16Å; F190-L248 HydrophobicContact CZ-CD1 3.75Å; F190-L248 HydrophobicContact CZ-CD2 4.26Å; F190-L248 HydrophobicContact CZ-CG 4.28Å; F190-Y252 HydrophobicContact CE2-CD2 4.15Å; F190-Y252 AromaticContact CE2-CE2 3.87Å; F190-Y252 HydrophobicContact CE2-CE2 3.87Å; F190-Y252 HydrophobicContact CZ-CD2 4.45Å; F190-Y252 AromaticContact CZ-CE2 3.81Å; F190-Y252 HydrophobicContact CZ-CE2 3.81Å |
| 191 | L | 97.2 | Very high | 96 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | -178.9 | -68.8 | 174.4 | 0 | 0 | 0 | 111.8 | F130 L136 E187 A188 S194 K195 | F130-L191 HydrophobicContact CB-CD1 3.99Å; F130-L191 HydrophobicContact CD2-CD1 3.57Å; F130-L191 HydrophobicContact CE2-CD1 4.45Å; F130-L191 HydrophobicContact CG-CD1 4.16Å; L136-L191 HydrophobicContact CD1-CB 4.4Å; L136-L191 HydrophobicContact CD1-CD1 4.5Å; L136-L191 HydrophobicContact CD2-CB 4.29Å; E187-L191 HydrophobicContact CG-CD1 4.22Å; E187-L191 HydrophobicContact CG-CG 4.47Å; E187-L191 WeakPolarHBondContact O-CG 3.32Å; E187-L191 PolarHBondContact O-N 2.76Å; A188-L191 PolarHBondContact O-N 3.44Å; L191-S194 PolarHBondContact O-OG 2.96Å; L191-S194 VanDerWaalsContact O-OG 3.06Å; L191-K195 WeakPolarHBondContact O-CD 3.28Å; L191-K195 VanDerWaalsContact O-CG 3.28Å; L191-K195 WeakPolarHBondContact O-CG 3.23Å; L191-K195 PolarHBondContact O-N 3.39Å |
| 192 | K | 96.4 | Very high | 96 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 172.7 | -176.7 | 166.9 | -176.4 | 162.8 | 0 | 111.7 | L136 A188 F189 F190 G196 | L136-K192 HydrophobicContact CD2-CB 3.82Å; A188-K192 PolarHBondContact O-N 2.7Å; A188-K192 VanDerWaalsContact O-N 3.1Å; F189-K192 PolarHBondContact O-N 2.89Å; F190-K192 PolarHBondContact O-N 2.89Å; K192-G196 PolarHBondContact O-N 3.37Å; K192-G196 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F189 F190 G196 L198 V203 I206 | F189-A193 VanDerWaalsContact O-CB 3.3Å; F189-A193 WeakPolarHBondContact O-CB 3.42Å; F189-A193 PolarHBondContact O-N 3.35Å; F190-A193 CarbonylContact O-C 3.56Å; F190-A193 WeakPolarHBondContact O-CA 3.21Å; F190-A193 WeakPolarHBondContact O-CB 3.28Å; F190-A193 PolarHBondContact O-N 3.17Å; A193-G196 PolarHBondContact O-N 2.94Å; A193-L198 HydrophobicContact CB-CD1 3.64Å; A193-V203 HydrophobicContact CB-CG2 4.33Å; A193-I206 HydrophobicContact CB-CD1 3.67Å |
| 194 | S | 95.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.8 | -29.3 | -178.6 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | F190 L191 Y252 | F190-S194 WeakPolarHBondContact O-CB 3.46Å; F190-S194 PolarHBondContact O-N 3.06Å; F190-S194 PolarHBondContact O-OG 3.36Å; L191-S194 PolarHBondContact O-OG 2.96Å; L191-S194 VanDerWaalsContact O-OG 3.06Å; S194-Y252 VanDerWaalsContact CB-OH 3.31Å; S194-Y252 WeakPolarHBondContact CB-OH 3.34Å |
| 195 | K | 92.6 | Very high | 95.9 | Very high | 108 Ų | 108 | 54.4 Ų | 54.4 | 47% | 0.47 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -81.1 | -26.1 | 173.5 | -67.6 | 172.2 | -173 | -177.6 | 0 | 113.2 | F130 D131 L191 | F130-K195 PolarHBondContact O-NZ 2.92Å; D131-K195 VanDerWaalsContact CA-NZ 3.31Å; L191-K195 WeakPolarHBondContact O-CD 3.28Å; L191-K195 VanDerWaalsContact O-CG 3.28Å; L191-K195 WeakPolarHBondContact O-CG 3.23Å; L191-K195 PolarHBondContact O-N 3.39Å |
| 196 | G | 88.3 | Confident | 95.9 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 168.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K192 A193 L198 | K192-G196 PolarHBondContact O-N 3.37Å; K192-G196 VanDerWaalsContact O-N 3.14Å; A193-G196 PolarHBondContact O-N 2.94Å; G196-L198 PolarHBondContact O-N 3.47Å |
| 197 | K | 86.3 | Confident | 95.9 | Very high | 219 Ų | 219 | 54.6 Ų | 54.6 | 95% | 0.952 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 41.9 | 172.2 | -60.9 | -176.3 | -179.6 | -178.6 | 0 | 112 | ||
| 198 | L | 92 | Very high | 95.9 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | trans | -80.2 | 153.7 | 178.6 | -64.3 | -174.5 | 0 | 0 | 0 | 110.8 | A193 G196 L202 V203 | A193-L198 HydrophobicContact CB-CD1 3.64Å; G196-L198 PolarHBondContact O-N 3.47Å; L198-L202 HydrophobicContact CD1-CD2 4.02Å; L198-L202 HydrophobicContact CD2-CD2 4.42Å; L198-V203 HydrophobicContact CB-CG2 4.1Å | ||
| 199 | R | 94.4 | Very high | 96 | Very high | 201 Ų | 201 | 55.8 Ų | 55.8 | 76% | 0.758 | 27% | 0.267 | S | S | * | . | trans | -61 | 134.6 | 175.3 | -68.2 | -173.6 | -179.7 | 174.9 | -0.3 | 109.8 | T201 L202 V203 | R199-T201 PolarHBondContact O-N 3.26Å; R199-T201 VanDerWaalsContact O-N 3.12Å; R199-L202 WeakPolarHBondContact O-CB 3.4Å; R199-L202 PolarHBondContact O-N 2.97Å; R199-V203 PolarHBondContact O-N 3.2Å | ||
| 200 | P | 95.2 | Very high | 96 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52.3 | -36.7 | 178.4 | -29.5 | 36 | 0 | 0 | 0 | 113.6 | L202 V203 A204 Y252 L255 M256 | P200-L202 VanDerWaalsContact C-N 3.3Å; P200-L202 PolarHBondContact O-N 3.32Å; P200-V203 PolarHBondContact O-N 3.04Å; P200-V203 VanDerWaalsContact O-N 3.17Å; P200-A204 WeakPolarHBondContact O-CB 3.37Å; P200-A204 PolarHBondContact O-N 3.45Å; P200-Y252 HydrophobicContact CB-CD1 4.26Å; P200-Y252 WeakPolarHBondContact CB-O 3.48Å; P200-L255 HydrophobicContact CB-CB 4.03Å; P200-L255 HydrophobicContact CB-CD1 4.27Å; P200-L255 HydrophobicContact CG-CB 4.31Å; P200-L255 HydrophobicContact CG-CD1 4.37Å; P200-M256 HydrophobicContact CB-CE 3.87Å; P200-M256 HydrophobicContact CB-CG 4.07Å; P200-M256 HydrophobicContact CB-SD 4.04Å; P200-M256 HydrophobicContact CG-CE 3.66Å; P200-M256 HydrophobicContact CG-SD 4.35Å |
| 201 | T | 96 | Very high | 96 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.5 | -38.7 | 174.5 | 2.6 | 0 | 0 | 0 | 0 | 113.2 | R199 R205 M256 | R199-T201 PolarHBondContact O-N 3.26Å; R199-T201 VanDerWaalsContact O-N 3.12Å; T201-R205 WeakPolarHBondContact O-CG 3.32Å; T201-R205 PolarHBondContact O-N 3.47Å; T201-M256 HydrophobicContact CG2-CG 3.99Å; T201-M256 HydrophobicContact CG2-SD 4.26Å; T201-M256 PolarHBondContact OG1-SD 3.05Å |
| 202 | L | 97.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 177.7 | 178.2 | 58.7 | 0 | 0 | 0 | 110.6 | L198 R199 P200 A204 R205 I206 T330 | L198-L202 HydrophobicContact CD1-CD2 4.02Å; L198-L202 HydrophobicContact CD2-CD2 4.42Å; R199-L202 WeakPolarHBondContact O-CB 3.4Å; R199-L202 PolarHBondContact O-N 2.97Å; P200-L202 VanDerWaalsContact C-N 3.3Å; P200-L202 PolarHBondContact O-N 3.32Å; L202-A204 VanDerWaalsContact C-N 3.31Å; L202-A204 PolarHBondContact O-N 2.87Å; L202-R205 PolarHBondContact O-N 3.36Å; L202-I206 HydrophobicContact CD1-CD1 4.19Å; L202-I206 HydrophobicContact CD1-CG1 4.36Å; L202-I206 HydrophobicContact CG-CD1 4.03Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.95Å; L202-T330 HydrophobicContact CD1-CG2 4.41Å |
| 203 | V | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 177 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | F190 A193 L198 R199 P200 R205 I206 A207 Y252 | F190-V203 HydrophobicContact CD2-CG1 3.97Å; F190-V203 HydrophobicContact CE2-CG1 3.59Å; F190-V203 HydrophobicContact CZ-CG1 4.49Å; A193-V203 HydrophobicContact CB-CG2 4.33Å; L198-V203 HydrophobicContact CB-CG2 4.1Å; R199-V203 PolarHBondContact O-N 3.2Å; P200-V203 PolarHBondContact O-N 3.04Å; P200-V203 VanDerWaalsContact O-N 3.17Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 2.95Å; V203-I206 PolarHBondContact O-N 3.49Å; V203-A207 WeakPolarHBondContact O-CB 3.23Å; V203-A207 PolarHBondContact O-N 3.3Å; V203-Y252 HydrophobicContact CB-CD1 3.85Å; V203-Y252 HydrophobicContact CB-CD2 4.38Å; V203-Y252 HydrophobicContact CB-CE1 4.16Å; V203-Y252 HydrophobicContact CB-CG 3.97Å; V203-Y252 HydrophobicContact CG1-CD1 3.78Å; V203-Y252 HydrophobicContact CG1-CD2 3.63Å; V203-Y252 HydrophobicContact CG1-CE1 3.75Å; V203-Y252 HydrophobicContact CG1-CE2 3.62Å; V203-Y252 HydrophobicContact CG1-CG 3.72Å |
| 204 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P200 L202 A207 S208 A249 Q253 I327 | P200-A204 WeakPolarHBondContact O-CB 3.37Å; P200-A204 PolarHBondContact O-N 3.45Å; L202-A204 VanDerWaalsContact C-N 3.31Å; L202-A204 PolarHBondContact O-N 2.87Å; A204-A207 PolarHBondContact O-N 3.34Å; A204-S208 VanDerWaalsContact O-CB 3.31Å; A204-S208 WeakPolarHBondContact O-CB 3.31Å; A204-S208 PolarHBondContact O-N 2.85Å; A204-A249 WeakPolarHBondContact CB-O 3.37Å; A204-Q253 HydrophobicContact CB-CB 4.09Å; A204-I327 HydrophobicContact CB-CG2 4.06Å |
| 205 | R | 98.7 | Very high | 96.5 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.3 | -36.6 | 178.9 | -66.7 | 169.4 | -176.4 | -168.1 | 1.1 | 113.1 | T201 L202 V203 E209 A328 T330 | T201-R205 WeakPolarHBondContact O-CG 3.32Å; T201-R205 PolarHBondContact O-N 3.47Å; L202-R205 PolarHBondContact O-N 3.36Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 2.95Å; R205-E209 PolarHBondContact O-N 3.07Å; R205-E209 VanDerWaalsContact O-N 3.16Å; R205-A328 VanDerWaalsContact CA-O 3.22Å; R205-A328 WeakPolarHBondContact CA-O 3.48Å; R205-A328 WeakPolarHBondContact CB-O 3.43Å; R205-A328 HydrophobicContact CG-CB 4.09Å; R205-A328 VanDerWaalsContact CG-O 3.27Å; R205-A328 WeakPolarHBondContact CG-O 3.48Å; R205-T330 WeakPolarHBondContact CB-OG1 3.29Å; R205-T330 PolarHBondContact O-N 2.88Å |
| 206 | I | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 175.6 | -63.9 | 167.3 | 0 | 0 | 0 | 110 | Q186 F189 F190 A193 L202 V203 E209 C210 T330 L332 | Q186-I206 PolarHBondContact NE2-O 2.7Å; F189-I206 HydrophobicContact CB-CG2 4.47Å; F190-I206 HydrophobicContact CB-CG2 3.85Å; A193-I206 HydrophobicContact CB-CD1 3.67Å; L202-I206 HydrophobicContact CD1-CD1 4.19Å; L202-I206 HydrophobicContact CD1-CG1 4.36Å; L202-I206 HydrophobicContact CG-CD1 4.03Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.95Å; V203-I206 PolarHBondContact O-N 3.49Å; I206-E209 PolarHBondContact O-N 3.39Å; I206-C210 PolarHBondContact O-N 2.81Å; I206-T330 HydrophobicContact CG1-CG2 4.39Å; I206-L332 HydrophobicContact CD1-CD1 3.69Å; I206-L332 HydrophobicContact CG1-CD1 3.84Å; I206-L332 HydrophobicContact CG2-CD1 4.24Å |
| 207 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F190 V203 A204 E209 C210 A211 F245 L248 A249 | F190-A207 HydrophobicContact CD2-CB 3.7Å; F190-A207 HydrophobicContact CE2-CB 3.7Å; V203-A207 WeakPolarHBondContact O-CB 3.23Å; V203-A207 PolarHBondContact O-N 3.3Å; A204-A207 PolarHBondContact O-N 3.34Å; A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 2.95Å; A207-C210 WeakPolarHBondContact O-CB 3.49Å; A207-C210 PolarHBondContact O-N 3.16Å; A207-C210 VanDerWaalsContact O-N 3.09Å; A207-A211 PolarHBondContact O-N 3.48Å; A207-F245 HydrophobicContact CB-CD1 4.4Å; A207-L248 HydrophobicContact CB-CB 4.35Å; A207-A249 HydrophobicContact CB-CB 3.91Å |
| 208 | S | 98.8 | Very high | 97.8 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 177 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | A204 S212 I327 K329 | A204-S208 VanDerWaalsContact O-CB 3.31Å; A204-S208 WeakPolarHBondContact O-CB 3.31Å; A204-S208 PolarHBondContact O-N 2.85Å; S208-S212 PolarHBondContact O-N 3.32Å; S208-I327 PolarHBondContact OG-O 3.17Å; S208-K329 WeakPolarHBondContact OG-CG 3.22Å |
| 209 | E | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.9 | -42.8 | 172.6 | -178.5 | 56.3 | -153.4 | 0 | 0 | 112.1 | Q186 R205 I206 A207 A211 S212 M213 K329 T330 V331 | Q186-E209 HydrophobicContact CG-CG 4.23Å; R205-E209 PolarHBondContact O-N 3.07Å; R205-E209 VanDerWaalsContact O-N 3.16Å; I206-E209 PolarHBondContact O-N 3.39Å; A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 2.95Å; E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.39Å; E209-S212 WeakPolarHBondContact O-CA 3.17Å; E209-S212 VanDerWaalsContact O-CB 3.31Å; E209-S212 WeakPolarHBondContact O-CB 3.45Å; E209-S212 PolarHBondContact O-N 3.04Å; E209-M213 HydrophobicContact CG-CE 3.95Å; E209-M213 HydrophobicContact CG-CG 4.39Å; E209-M213 WeakPolarHBondContact O-CG 3.31Å; E209-M213 PolarHBondContact O-N 2.52Å; E209-M213 VanDerWaalsContact OE1-CE 3.24Å; E209-M213 WeakPolarHBondContact OE1-CE 3.42Å; E209-M213 WeakPolarHBondContact OE1-CG 3.45Å; E209-K329 HydrophobicContact CB-CB 4.14Å; E209-K329 WeakPolarHBondContact OE2-CB 3.21Å; E209-K329 VanDerWaalsContact OE2-CD 3.32Å; E209-K329 WeakPolarHBondContact OE2-CD 3.25Å; E209-T330 WeakPolarHBondContact CB-O 3.4Å; E209-V331 HydrophobicContact CG-CB 4.39Å; E209-V331 HydrophobicContact CG-CG2 3.89Å |
| 210 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.7 | -167.7 | 0 | 0 | 0 | 0 | 112 | Q186 I206 A207 S212 M213 Y214 F245 | Q186-C210 HydrophobicContact CB-CB 4.48Å; Q186-C210 HydrophobicContact CG-CB 3.77Å; I206-C210 PolarHBondContact O-N 2.81Å; A207-C210 WeakPolarHBondContact O-CB 3.49Å; A207-C210 PolarHBondContact O-N 3.16Å; A207-C210 VanDerWaalsContact O-N 3.09Å; C210-S212 VanDerWaalsContact C-N 3.35Å; C210-S212 PolarHBondContact O-N 2.84Å; C210-M213 PolarHBondContact O-N 2.91Å; C210-Y214 WeakPolarHBondContact O-CD2 3.41Å; C210-Y214 PolarHBondContact O-N 2.68Å; C210-F245 HydrophobicContact CB-CB 4.31Å; C210-F245 HydrophobicContact CB-CD1 3.86Å; C210-F245 HydrophobicContact CB-CD2 4.35Å; C210-F245 HydrophobicContact CB-CE1 4.33Å; C210-F245 HydrophobicContact CB-CG 3.91Å; C210-F245 VanDerWaalsContact SG-CD2 3.54Å |
| 211 | A | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A207 E209 M213 Y214 Y215 F245 Q246 | A207-A211 PolarHBondContact O-N 3.48Å; E209-A211 VanDerWaalsContact C-N 3.3Å; E209-A211 PolarHBondContact O-N 3.39Å; A211-M213 VanDerWaalsContact C-N 3.34Å; A211-M213 PolarHBondContact O-N 3.06Å; A211-Y214 PolarHBondContact O-N 2.88Å; A211-Y215 WeakPolarHBondContact O-CB 3.45Å; A211-Y215 PolarHBondContact O-N 3.18Å; A211-F245 HydrophobicContact CB-CB 3.79Å; A211-Q246 HydrophobicContact CB-CB 4.45Å; A211-Q246 HydrophobicContact CB-CG 3.58Å |
| 212 | S | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 32 Ų | 32 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 178.2 | -160.3 | 0 | 0 | 0 | 0 | 112 | S208 E209 C210 Y215 E216 K329 | S208-S212 PolarHBondContact O-N 3.32Å; E209-S212 WeakPolarHBondContact O-CA 3.17Å; E209-S212 VanDerWaalsContact O-CB 3.31Å; E209-S212 WeakPolarHBondContact O-CB 3.45Å; E209-S212 PolarHBondContact O-N 3.04Å; C210-S212 VanDerWaalsContact C-N 3.35Å; C210-S212 PolarHBondContact O-N 2.84Å; S212-Y215 WeakPolarHBondContact O-CB 3.44Å; S212-Y215 PolarHBondContact O-N 3.44Å; S212-E216 PolarHBondContact O-N 2.65Å; S212-K329 PolarHBondContact OG-NZ 3.17Å |
| 213 | M | 98.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 178.2 | -69.5 | -166.7 | 173.6 | 0 | 0 | 111.9 | M179 L182 A183 Q186 E209 C210 A211 E216 A217 V331 A333 | M179-M213 HydrophobicContact CE-CB 3.53Å; M179-M213 HydrophobicContact CE-CG 3.62Å; M179-M213 HydrophobicContact CE-SD 4.06Å; L182-M213 HydrophobicContact CB-SD 4.2Å; A183-M213 HydrophobicContact CB-CB 3.77Å; Q186-M213 HydrophobicContact CB-SD 3.59Å; Q186-M213 VanDerWaalsContact CB-SD 3.59Å; Q186-M213 HydrophobicContact CG-SD 3.96Å; E209-M213 HydrophobicContact CG-CE 3.95Å; E209-M213 HydrophobicContact CG-CG 4.39Å; E209-M213 WeakPolarHBondContact O-CG 3.31Å; E209-M213 PolarHBondContact O-N 2.52Å; E209-M213 VanDerWaalsContact OE1-CE 3.24Å; E209-M213 WeakPolarHBondContact OE1-CE 3.42Å; E209-M213 WeakPolarHBondContact OE1-CG 3.45Å; C210-M213 PolarHBondContact O-N 2.91Å; A211-M213 VanDerWaalsContact C-N 3.34Å; A211-M213 PolarHBondContact O-N 3.06Å; M213-E216 PolarHBondContact O-N 2.88Å; M213-A217 WeakPolarHBondContact O-CB 3.13Å; M213-A217 PolarHBondContact O-N 3.11Å; M213-V331 HydrophobicContact CE-CG1 3.85Å; M213-A333 HydrophobicContact CE-CB 4.44Å |
| 214 | Y | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.7 | -34.9 | 174.7 | -84.7 | -57.4 | 0 | 0 | 0 | 113.1 | F180 A183 Q184 E187 C210 A211 N218 K241 F245 | F180-Y214 HydrophobicContact CD2-CE1 4.47Å; F180-Y214 HydrophobicContact CE2-CD1 4.38Å; F180-Y214 HydrophobicContact CE2-CE1 4.03Å; A183-Y214 HydrophobicContact CB-CD1 3.73Å; A183-Y214 HydrophobicContact CB-CD2 4.25Å; A183-Y214 HydrophobicContact CB-CE1 3.63Å; A183-Y214 HydrophobicContact CB-CE2 4.2Å; A183-Y214 HydrophobicContact CB-CG 4.02Å; Q184-Y214 WeakPolarHBondContact CG-OH 3.41Å; E187-Y214 HydrophobicContact CB-CE2 4.28Å; E187-Y214 VanDerWaalsContact OE2-CE2 3.31Å; E187-Y214 WeakPolarHBondContact OE2-CE2 3.35Å; E187-Y214 VanDerWaalsContact OE2-CZ 3.26Å; E187-Y214 PolarHBondContact OE2-OH 3.02Å; C210-Y214 WeakPolarHBondContact O-CD2 3.41Å; C210-Y214 PolarHBondContact O-N 2.68Å; A211-Y214 PolarHBondContact O-N 2.88Å; Y214-N218 WeakPolarHBondContact O-CB 3.44Å; Y214-N218 PolarHBondContact O-N 3Å; Y214-K241 HydrophobicContact CD1-CB 4.14Å; Y214-K241 HydrophobicContact CD2-CB 3.79Å; Y214-K241 HydrophobicContact CE1-CB 4.28Å; Y214-K241 HydrophobicContact CE1-CD 3.84Å; Y214-K241 HydrophobicContact CE2-CB 3.89Å; Y214-K241 HydrophobicContact CE2-CD 3.8Å; Y214-K241 HydrophobicContact CE2-CG 4.44Å; Y214-K241 HydrophobicContact CG-CB 3.92Å; Y214-K241 VanDerWaalsContact CZ-CD 3.43Å; Y214-K241 WeakPolarHBondContact OH-CD 3.27Å; Y214-K241 PolarHBondContact OH-NZ 2.93Å; Y214-F245 AromaticContact CD2-CD2 3.78Å; Y214-F245 HydrophobicContact CD2-CD2 3.78Å; Y214-F245 HydrophobicContact CD2-CE2 4.12Å; Y214-F245 AromaticContact CE2-CD2 3.88Å; Y214-F245 HydrophobicContact CE2-CD2 3.88Å; Y214-F245 AromaticContact CE2-CE2 3.72Å; Y214-F245 HydrophobicContact CE2-CE2 3.72Å |
| 215 | Y | 98.7 | Very high | 96.7 | Very high | 117 Ų | 117 | 44.9 Ų | 44.9 | 46% | 0.459 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 172.5 | 176.1 | -99.1 | 0 | 0 | 0 | 111.3 | A211 S212 N218 K219 | A211-Y215 WeakPolarHBondContact O-CB 3.45Å; A211-Y215 PolarHBondContact O-N 3.18Å; S212-Y215 WeakPolarHBondContact O-CB 3.44Å; S212-Y215 PolarHBondContact O-N 3.44Å; Y215-N218 PolarHBondContact O-N 3.16Å; Y215-K219 WeakPolarHBondContact O-CB 3.37Å; Y215-K219 PolarHBondContact O-N 3.25Å |
| 216 | E | 98.4 | Very high | 96 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.7 | -68.7 | -54.6 | 144.6 | 0 | 0 | 111.6 | M179 S212 M213 N218 K219 M220 | M179-E216 HydrophobicContact CG-CB 4.32Å; M179-E216 HydrophobicContact SD-CB 4.37Å; S212-E216 PolarHBondContact O-N 2.65Å; M213-E216 PolarHBondContact O-N 2.88Å; E216-N218 PolarHBondContact O-N 3.48Å; E216-K219 PolarHBondContact O-N 2.87Å; E216-M220 VanDerWaalsContact O-CG 3.3Å; E216-M220 WeakPolarHBondContact O-CG 3.44Å; E216-M220 PolarHBondContact O-N 2.81Å |
| 217 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M179 F180 M213 K219 M220 L221 | M179-A217 HydrophobicContact CG-CB 4.07Å; F180-A217 HydrophobicContact CB-CB 4.49Å; F180-A217 HydrophobicContact CD2-CB 3.88Å; M213-A217 WeakPolarHBondContact O-CB 3.13Å; M213-A217 PolarHBondContact O-N 3.11Å; A217-K219 PolarHBondContact O-N 3.43Å; A217-M220 PolarHBondContact O-N 2.93Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 VanDerWaalsContact O-CG 3.23Å; A217-L221 WeakPolarHBondContact O-CG 3.46Å; A217-L221 PolarHBondContact O-N 3.21Å |
| 218 | N | 97.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178 | -177.7 | -100.1 | 0 | 0 | 0 | 112.1 | Y214 Y215 E216 M220 L221 S222 I235 S238 G239 | Y214-N218 WeakPolarHBondContact O-CB 3.44Å; Y214-N218 PolarHBondContact O-N 3Å; Y215-N218 PolarHBondContact O-N 3.16Å; E216-N218 PolarHBondContact O-N 3.48Å; N218-M220 VanDerWaalsContact C-N 3.33Å; N218-M220 PolarHBondContact O-N 2.96Å; N218-L221 PolarHBondContact O-N 3.37Å; N218-S222 WeakPolarHBondContact O-CB 3.42Å; N218-S222 PolarHBondContact O-N 3.31Å; N218-S222 PolarHBondContact O-OG 3.34Å; N218-I235 PolarHBondContact ND2-O 3.04Å; N218-S238 PolarHBondContact ND2-OG 2.99Å; N218-G239 PolarHBondContact ND2-N 3.32Å |
| 219 | K | 97.7 | Very high | 94.2 | Very high | 116 Ų | 116 | 49 Ų | 49 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 175 | 179.8 | -177.7 | 174 | -172.3 | 0 | 111.3 | Y215 E216 A217 S222 R223 | Y215-K219 WeakPolarHBondContact O-CB 3.37Å; Y215-K219 PolarHBondContact O-N 3.25Å; E216-K219 PolarHBondContact O-N 2.87Å; A217-K219 PolarHBondContact O-N 3.43Å; K219-S222 PolarHBondContact O-N 3.47Å; K219-R223 PolarHBondContact O-N 3.43Å |
| 220 | M | 96.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 16% | 0.163 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 176.6 | -67.4 | -174.4 | 80.5 | 0 | 0 | 112.2 | Q175 T176 M179 E216 A217 N218 S222 R223 | Q175-M220 HydrophobicContact CB-CE 3.85Å; Q175-M220 HydrophobicContact CG-CE 3.43Å; Q175-M220 VanDerWaalsContact CG-CE 3.43Å; Q175-M220 HydrophobicContact CG-SD 4.3Å; T176-M220 HydrophobicContact CG2-CB 3.86Å; T176-M220 VanDerWaalsContact OG1-CE 3.27Å; T176-M220 WeakPolarHBondContact OG1-CE 3.44Å; M179-M220 HydrophobicContact CB-SD 4.19Å; M179-M220 HydrophobicContact CG-SD 4.44Å; E216-M220 VanDerWaalsContact O-CG 3.3Å; E216-M220 WeakPolarHBondContact O-CG 3.44Å; E216-M220 PolarHBondContact O-N 2.81Å; A217-M220 PolarHBondContact O-N 2.93Å; N218-M220 VanDerWaalsContact C-N 3.33Å; N218-M220 PolarHBondContact O-N 2.96Å; M220-S222 PolarHBondContact O-N 2.92Å; M220-R223 WeakPolarHBondContact O-CG 3.38Å; M220-R223 PolarHBondContact O-N 3.43Å |
| 221 | L | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -34.5 | 176.7 | -69.9 | 167.4 | 0 | 0 | 0 | 112.2 | T176 F180 A217 N218 R223 W230 W234 I235 | T176-L221 HydrophobicContact CG2-CD2 3.69Å; T176-L221 HydrophobicContact CG2-CG 3.96Å; F180-L221 HydrophobicContact CD2-CD1 4.25Å; F180-L221 HydrophobicContact CE2-CD1 4.25Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 VanDerWaalsContact O-CG 3.23Å; A217-L221 WeakPolarHBondContact O-CG 3.46Å; A217-L221 PolarHBondContact O-N 3.21Å; N218-L221 PolarHBondContact O-N 3.37Å; L221-R223 VanDerWaalsContact C-N 3.32Å; L221-R223 PolarHBondContact O-N 2.99Å; L221-W230 HydrophobicContact CD2-CD2 3.68Å; L221-W230 HydrophobicContact CD2-CE3 4.35Å; L221-W230 HydrophobicContact CD2-CG 3.76Å; L221-W230 HydrophobicContact CD2-CZ2 4.14Å; L221-W230 PolarHBondContact O-NE1 3.04Å; L221-W234 HydrophobicContact CD1-CB 4.35Å; L221-W234 HydrophobicContact CD2-CE3 3.93Å; L221-I235 HydrophobicContact CB-CG1 3.95Å |
| 222 | S | 95.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 58 Ų | 58 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.3 | -176.7 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | N218 K219 M220 K227 | N218-S222 WeakPolarHBondContact O-CB 3.42Å; N218-S222 PolarHBondContact O-N 3.31Å; N218-S222 PolarHBondContact O-OG 3.34Å; K219-S222 PolarHBondContact O-N 3.47Å; M220-S222 PolarHBondContact O-N 2.92Å; S222-K227 WeakPolarHBondContact O-CE 3.36Å |
| 223 | R | 93.5 | Very high | 92.5 | Very high | 127 Ų | 127 | 58.6 Ų | 58.6 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -64.8 | 138 | 175 | -71.3 | 177.3 | 66.8 | -179.7 | -1.2 | 110.6 | K219 M220 L221 G225 F226 K227 | K219-R223 PolarHBondContact O-N 3.43Å; M220-R223 WeakPolarHBondContact O-CG 3.38Å; M220-R223 PolarHBondContact O-N 3.43Å; L221-R223 VanDerWaalsContact C-N 3.32Å; L221-R223 PolarHBondContact O-N 2.99Å; R223-G225 PolarHBondContact O-N 3.16Å; R223-F226 HydrophobicContact CB-CB 4.33Å; R223-F226 HydrophobicContact CB-CD2 4.35Å; R223-F226 WeakPolarHBondContact O-CB 3.37Å; R223-F226 PolarHBondContact O-N 2.85Å; R223-K227 PolarHBondContact O-N 3.02Å |
| 224 | E | 88.3 | Confident | 92.3 | Very high | 150 Ų | 150 | 61.7 Ų | 61.7 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.1 | 173.8 | -64.8 | -55.2 | 143.9 | 0 | 0 | 110.6 | F226 K227 | E224-F226 PolarHBondContact O-N 3.4Å; E224-K227 WeakPolarHBondContact OE1-CE 3.33Å; E224-K227 IonicContact OE1-NZ 2.73Å; E224-K227 PolarHBondContact OE1-NZ 3.46Å; E224-K227 IonicContact OE2-NZ 2.76Å |
| 225 | G | 82.5 | Confident | 92.2 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -21.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R223 | R223-G225 PolarHBondContact O-N 3.16Š|
| 226 | F | 83.2 | Confident | 92.1 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -30.5 | 176.6 | -82.2 | -105.7 | 0 | 0 | 0 | 112.7 | E172 R223 E224 S228 M229 W230 | E172-F226 HydrophobicContact CB-CE1 3.87Å; E172-F226 HydrophobicContact CB-CZ 3.53Å; E172-F226 HydrophobicContact CG-CZ 4.3Å; R223-F226 HydrophobicContact CB-CB 4.33Å; R223-F226 HydrophobicContact CB-CD2 4.35Å; R223-F226 WeakPolarHBondContact O-CB 3.37Å; R223-F226 PolarHBondContact O-N 2.85Å; E224-F226 PolarHBondContact O-N 3.4Å; F226-S228 VanDerWaalsContact C-N 3.28Å; F226-S228 PolarHBondContact O-N 3.46Å; F226-S228 VanDerWaalsContact O-N 3.13Å; F226-M229 VanDerWaalsContact O-CB 3.23Å; F226-M229 WeakPolarHBondContact O-CB 3.31Å; F226-M229 PolarHBondContact O-N 2.93Å; F226-W230 AromaticContact CD1-CZ2 3.81Å; F226-W230 HydrophobicContact CD1-CZ2 3.81Å; F226-W230 PolarHBondContact O-NE1 3.4Å |
| 227 | K | 87 | Confident | 92.1 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -49.4 | -44.1 | -174.7 | -67.1 | 178.3 | -177.9 | 170.1 | 0 | 114.1 | S222 R223 E224 M229 W230 I235 | S222-K227 WeakPolarHBondContact O-CE 3.36Å; R223-K227 PolarHBondContact O-N 3.02Å; E224-K227 WeakPolarHBondContact OE1-CE 3.33Å; E224-K227 IonicContact OE1-NZ 2.73Å; E224-K227 PolarHBondContact OE1-NZ 3.46Å; E224-K227 IonicContact OE2-NZ 2.76Å; K227-M229 VanDerWaalsContact C-N 3.27Å; K227-M229 PolarHBondContact O-N 2.85Å; K227-W230 PolarHBondContact O-N 3.34Å; K227-I235 HydrophobicContact CB-CD1 4.14Å; K227-I235 HydrophobicContact CG-CD1 3.93Å |
| 228 | S | 86.6 | Confident | 92.1 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -73 | -16.7 | -176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | F226 | F226-S228 VanDerWaalsContact C-N 3.28Å; F226-S228 PolarHBondContact O-N 3.46Å; F226-S228 VanDerWaalsContact O-N 3.13Å |
| 229 | M | 86.1 | Confident | 92.1 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -74.7 | -33.1 | 178.6 | -173.2 | -174.4 | -67.2 | 0 | 0 | 111.7 | F91 A167 T173 F226 K227 | F91-M229 HydrophobicContact CB-CG 4.4Å; F91-M229 HydrophobicContact CD2-CG 3.44Å; F91-M229 VanDerWaalsContact CD2-CG 3.44Å; F91-M229 HydrophobicContact CD2-SD 3.58Å; F91-M229 VanDerWaalsContact CD2-SD 3.58Å; F91-M229 HydrophobicContact CE2-CG 3.94Å; F91-M229 HydrophobicContact CE2-SD 3.56Å; F91-M229 VanDerWaalsContact CE2-SD 3.56Å; F91-M229 HydrophobicContact CG-CG 4.15Å; A167-M229 HydrophobicContact CB-CE 3.54Å; T173-M229 HydrophobicContact CG2-SD 4.22Å; F226-M229 VanDerWaalsContact O-CB 3.23Å; F226-M229 WeakPolarHBondContact O-CB 3.31Å; F226-M229 PolarHBondContact O-N 2.93Å; K227-M229 VanDerWaalsContact C-N 3.27Å; K227-M229 PolarHBondContact O-N 2.85Å |
| 230 | W | 89.9 | Confident | 92.2 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -81.2 | 164.7 | -171.4 | -51.8 | 125 | 0 | 0 | 0 | 113 | F91 R93 T173 T176 L177 L221 F226 K227 K232 W234 | F91-W230 AromaticContact CE2-CZ3 3.98Å; F91-W230 HydrophobicContact CE2-CZ3 3.98Å; F91-W230 HydrophobicContact CZ-CE3 4.48Å; F91-W230 AromaticContact CZ-CZ3 3.78Å; F91-W230 HydrophobicContact CZ-CZ3 3.78Å; R93-W230 PolarHBondContact NH1-O 2.92Å; T173-W230 HydrophobicContact CG2-CH2 3.57Å; T173-W230 HydrophobicContact CG2-CZ3 4.04Å; T176-W230 HydrophobicContact CG2-CH2 4.15Å; T176-W230 HydrophobicContact CG2-CZ2 3.77Å; L177-W230 HydrophobicContact CD2-CZ3 4.19Å; L221-W230 HydrophobicContact CD2-CD2 3.68Å; L221-W230 HydrophobicContact CD2-CE3 4.35Å; L221-W230 HydrophobicContact CD2-CG 3.76Å; L221-W230 HydrophobicContact CD2-CZ2 4.14Å; L221-W230 PolarHBondContact O-NE1 3.04Å; F226-W230 AromaticContact CD1-CZ2 3.81Å; F226-W230 HydrophobicContact CD1-CZ2 3.81Å; F226-W230 PolarHBondContact O-NE1 3.4Å; K227-W230 PolarHBondContact O-N 3.34Å; W230-K232 PolarHBondContact O-N 2.82Å; W230-W234 HydrophobicContact CB-CE3 4.23Å; W230-W234 HydrophobicContact CD2-CE3 4.27Å; W230-W234 HydrophobicContact CD2-CZ3 4.41Å; W230-W234 AromaticContact CE3-CE3 3.9Å; W230-W234 HydrophobicContact CE3-CE3 3.9Å; W230-W234 AromaticContact CE3-CZ3 3.6Å; W230-W234 HydrophobicContact CE3-CZ3 3.6Å; W230-W234 HydrophobicContact CG-CE3 4.43Å; W230-W234 HydrophobicContact CZ3-CZ3 4Å |
| 231 | D | 89.1 | Confident | 92.3 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | trans | -63.2 | 139.7 | 161.5 | -164.8 | -82.1 | 0 | 0 | 0 | 109.9 | R93 E233 W234 | R93-D231 IonicContact CZ-OD2 3.03Å; R93-D231 IonicContact NH1-OD2 3.94Å; R93-D231 PolarHBondContact NH1-OD2 3.24Å; R93-D231 IonicContact NH2-OD2 3.56Å; R93-D231 PolarHBondContact NH2-OD2 2.87Å; D231-E233 PolarHBondContact O-N 2.84Å; D231-E233 VanDerWaalsContact O-N 3.11Å; D231-E233 WeakPolarHBondContact OD1-CB 3.26Å; D231-E233 WeakPolarHBondContact OD1-CG 3.25Å; D231-E233 PolarHBondContact OD1-N 3.24Å; D231-W234 HydrophobicContact CB-CD2 4.45Å; D231-W234 HydrophobicContact CB-CG 4.15Å; D231-W234 WeakPolarHBondContact O-CB 3.38Å; D231-W234 PolarHBondContact O-N 3.49Å | ||
| 232 | K | 89.2 | Confident | 92.4 | Very high | 156 Ų | 156 | 50.4 Ų | 50.4 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.4 | -175.4 | 63.9 | 175 | -173.3 | 173.8 | 0 | 112.1 | W230 P236 | W230-K232 PolarHBondContact O-N 2.82Å; K232-P236 WeakPolarHBondContact O-CD 3.44Å; K232-P236 WeakPolarHBondContact O-CG 3.4Å |
| 233 | E | 92.2 | Very high | 92.6 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.8 | 178.9 | -59.1 | -55.3 | 133.6 | 0 | 0 | 112.8 | D231 I235 P236 L237 | D231-E233 PolarHBondContact O-N 2.84Å; D231-E233 VanDerWaalsContact O-N 3.11Å; D231-E233 WeakPolarHBondContact OD1-CB 3.26Å; D231-E233 WeakPolarHBondContact OD1-CG 3.25Å; D231-E233 PolarHBondContact OD1-N 3.24Å; E233-I235 PolarHBondContact O-N 3.32Å; E233-P236 WeakPolarHBondContact O-CD 3.27Å; E233-P236 WeakPolarHBondContact O-CG 3.43Å; E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 PolarHBondContact O-N 3.04Å |
| 234 | W | 94.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.7 | -40.1 | -171 | -73.7 | 15 | 0 | 0 | 0 | 113.2 | L177 L221 W230 D231 S238 | L177-W234 HydrophobicContact CD2-CH2 4.08Å; L177-W234 HydrophobicContact CD2-CZ3 3.91Å; L221-W234 HydrophobicContact CD1-CB 4.35Å; L221-W234 HydrophobicContact CD2-CE3 3.93Å; W230-W234 HydrophobicContact CB-CE3 4.23Å; W230-W234 HydrophobicContact CD2-CE3 4.27Å; W230-W234 HydrophobicContact CD2-CZ3 4.41Å; W230-W234 AromaticContact CE3-CE3 3.9Å; W230-W234 HydrophobicContact CE3-CE3 3.9Å; W230-W234 AromaticContact CE3-CZ3 3.6Å; W230-W234 HydrophobicContact CE3-CZ3 3.6Å; W230-W234 HydrophobicContact CG-CE3 4.43Å; W230-W234 HydrophobicContact CZ3-CZ3 4Å; D231-W234 HydrophobicContact CB-CD2 4.45Å; D231-W234 HydrophobicContact CB-CG 4.15Å; D231-W234 WeakPolarHBondContact O-CB 3.38Å; D231-W234 PolarHBondContact O-N 3.49Å; W234-S238 VanDerWaalsContact O-CB 3.26Å; W234-S238 WeakPolarHBondContact O-CB 3.27Å; W234-S238 PolarHBondContact O-N 3.24Å; W234-S238 PolarHBondContact O-OG 2.9Å |
| 235 | I | 96.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 38 Ų | 38 | 23% | 0.226 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -55.8 | 177.4 | -64.9 | 171.5 | 0 | 0 | 0 | 111.1 | N218 L221 K227 E233 L237 S238 G239 | N218-I235 PolarHBondContact ND2-O 3.04Å; L221-I235 HydrophobicContact CB-CG1 3.95Å; K227-I235 HydrophobicContact CB-CD1 4.14Å; K227-I235 HydrophobicContact CG-CD1 3.93Å; E233-I235 PolarHBondContact O-N 3.32Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3Å; I235-S238 PolarHBondContact O-N 3.43Å; I235-S238 PolarHBondContact O-OG 2.9Å; I235-G239 PolarHBondContact O-N 2.95Å |
| 236 | P | 97.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 177 | 20 | -29.7 | 0 | 0 | 0 | 112.6 | K232 E233 G239 G240 K283 | K232-P236 WeakPolarHBondContact O-CD 3.44Å; K232-P236 WeakPolarHBondContact O-CG 3.4Å; E233-P236 WeakPolarHBondContact O-CD 3.27Å; E233-P236 WeakPolarHBondContact O-CG 3.43Å; P236-G239 PolarHBondContact O-N 3.49Å; P236-G240 PolarHBondContact O-N 3.3Å; P236-K283 VanDerWaalsContact CB-O 3.29Å; P236-K283 WeakPolarHBondContact CB-O 3.44Å |
| 237 | L | 97.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 15% | 0.152 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 177.3 | 179.7 | 61 | 0 | 0 | 0 | 112.5 | E233 I235 G239 G240 K241 L284 N288 L291 | E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 PolarHBondContact O-N 3.04Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3Å; L237-G239 VanDerWaalsContact C-N 3.34Å; L237-G239 PolarHBondContact O-N 2.83Å; L237-G240 PolarHBondContact O-N 3.36Å; L237-K241 HydrophobicContact CD1-CD 4.31Å; L237-K241 HydrophobicContact CD1-CG 4.31Å; L237-K241 HydrophobicContact CG-CD 4.47Å; L237-K241 WeakPolarHBondContact O-CB 3.39Å; L237-K241 WeakPolarHBondContact O-CG 3.45Å; L237-K241 PolarHBondContact O-N 2.95Å; L237-L284 HydrophobicContact CD1-CD2 4.02Å; L237-N288 HydrophobicContact CD1-CB 4.39Å; L237-L291 HydrophobicContact CD1-CD1 3.8Å |
| 238 | S | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | N218 W234 I235 C242 | N218-S238 PolarHBondContact ND2-OG 2.99Å; W234-S238 VanDerWaalsContact O-CB 3.26Å; W234-S238 WeakPolarHBondContact O-CB 3.27Å; W234-S238 PolarHBondContact O-N 3.24Å; W234-S238 PolarHBondContact O-OG 2.9Å; I235-S238 PolarHBondContact O-N 3.43Å; I235-S238 PolarHBondContact O-OG 2.9Å; S238-C242 WeakPolarHBondContact O-CB 3.47Å; S238-C242 PolarHBondContact O-N 3.37Å |
| 239 | G | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N218 I235 P236 L237 C242 F243 | N218-G239 PolarHBondContact ND2-N 3.32Å; I235-G239 PolarHBondContact O-N 2.95Å; P236-G239 PolarHBondContact O-N 3.49Å; L237-G239 VanDerWaalsContact C-N 3.34Å; L237-G239 PolarHBondContact O-N 2.83Å; G239-C242 WeakPolarHBondContact O-CB 3.3Å; G239-C242 PolarHBondContact O-N 2.74Å; G239-F243 VanDerWaalsContact O-CD2 3.25Å; G239-F243 WeakPolarHBondContact O-CD2 3.47Å; G239-F243 PolarHBondContact O-N 2.88Å |
| 240 | G | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P236 L237 C242 F243 A244 A280 | P236-G240 PolarHBondContact O-N 3.3Å; L237-G240 PolarHBondContact O-N 3.36Å; G240-C242 VanDerWaalsContact C-N 3.34Å; G240-C242 PolarHBondContact O-N 3.48Å; G240-F243 PolarHBondContact O-N 3.03Å; G240-A244 WeakPolarHBondContact O-CB 3.47Å; G240-A244 PolarHBondContact O-N 3.23Å; G240-A280 WeakPolarHBondContact O-CB 3.41Å |
| 241 | K | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.096 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 173.5 | -75.2 | -170.3 | 174.2 | -156.4 | 0 | 112.4 | E187 Y214 L237 F243 A244 F245 F292 | E187-K241 IonicContact OE1-NZ 3.78Å; E187-K241 PolarHBondContact OE1-NZ 3.06Å; E187-K241 WeakPolarHBondContact OE2-CD 3.5Å; E187-K241 IonicContact OE2-NZ 3.42Å; E187-K241 PolarHBondContact OE2-NZ 3.36Å; Y214-K241 HydrophobicContact CD1-CB 4.14Å; Y214-K241 HydrophobicContact CD2-CB 3.79Å; Y214-K241 HydrophobicContact CE1-CB 4.28Å; Y214-K241 HydrophobicContact CE1-CD 3.84Å; Y214-K241 HydrophobicContact CE2-CB 3.89Å; Y214-K241 HydrophobicContact CE2-CD 3.8Å; Y214-K241 HydrophobicContact CE2-CG 4.44Å; Y214-K241 HydrophobicContact CG-CB 3.92Å; Y214-K241 VanDerWaalsContact CZ-CD 3.43Å; Y214-K241 WeakPolarHBondContact OH-CD 3.27Å; Y214-K241 PolarHBondContact OH-NZ 2.93Å; L237-K241 HydrophobicContact CD1-CD 4.31Å; L237-K241 HydrophobicContact CD1-CG 4.31Å; L237-K241 HydrophobicContact CG-CD 4.47Å; L237-K241 WeakPolarHBondContact O-CB 3.39Å; L237-K241 WeakPolarHBondContact O-CG 3.45Å; L237-K241 PolarHBondContact O-N 2.95Å; K241-F243 PolarHBondContact O-N 3.23Å; K241-A244 PolarHBondContact O-N 3.23Å; K241-F245 HydrophobicContact CB-CD2 4.31Å; K241-F245 HydrophobicContact CB-CE2 4.44Å; K241-F245 WeakPolarHBondContact O-CB 3.38Å; K241-F245 WeakPolarHBondContact O-CD2 3.37Å; K241-F245 PolarHBondContact O-N 2.74Å; K241-F292 HydrophobicContact CG-CE2 3.95Å; K241-F292 HydrophobicContact CG-CZ 4.25Å |
| 242 | C | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.7 | -53.8 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | S238 G239 G240 F245 Q246 | S238-C242 WeakPolarHBondContact O-CB 3.47Å; S238-C242 PolarHBondContact O-N 3.37Å; G239-C242 WeakPolarHBondContact O-CB 3.3Å; G239-C242 PolarHBondContact O-N 2.74Å; G240-C242 VanDerWaalsContact C-N 3.34Å; G240-C242 PolarHBondContact O-N 3.48Å; C242-F245 PolarHBondContact O-N 3.2Å; C242-Q246 VanDerWaalsContact O-CG 3.31Å; C242-Q246 WeakPolarHBondContact O-CG 3.5Å; C242-Q246 PolarHBondContact O-N 3.09Å |
| 243 | F | 98.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 24.2 Ų | 24.2 | 22% | 0.219 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.8 | -75.1 | -63.7 | 0 | 0 | 0 | 112.9 | G239 G240 K241 F245 Q246 A247 L276 M279 A280 K283 | G239-F243 VanDerWaalsContact O-CD2 3.25Å; G239-F243 WeakPolarHBondContact O-CD2 3.47Å; G239-F243 PolarHBondContact O-N 2.88Å; G240-F243 PolarHBondContact O-N 3.03Å; K241-F243 PolarHBondContact O-N 3.23Å; F243-F245 VanDerWaalsContact C-N 3.34Å; F243-F245 PolarHBondContact O-N 3.09Å; F243-Q246 WeakPolarHBondContact O-CB 3.3Å; F243-Q246 PolarHBondContact O-N 3.43Å; F243-A247 PolarHBondContact O-N 2.93Å; F243-L276 HydrophobicContact CD1-CD2 3.77Å; F243-L276 HydrophobicContact CE1-CD2 4.35Å; F243-M279 HydrophobicContact CD1-CB 4.17Å; F243-M279 HydrophobicContact CD1-CE 3.93Å; F243-M279 HydrophobicContact CD1-SD 4.48Å; F243-M279 HydrophobicContact CD2-CB 4.32Å; F243-M279 HydrophobicContact CE1-CB 4.46Å; F243-M279 HydrophobicContact CE1-CE 3.85Å; F243-M279 HydrophobicContact CE1-SD 4.05Å; F243-M279 HydrophobicContact CG-CB 4.08Å; F243-M279 HydrophobicContact CZ-SD 4.42Å; F243-A280 HydrophobicContact CB-CB 3.74Å; F243-K283 HydrophobicContact CD2-CD 3.98Å; F243-K283 HydrophobicContact CE2-CD 4.03Å |
| 244 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G240 K241 A247 L248 M277 A280 F292 | G240-A244 WeakPolarHBondContact O-CB 3.47Å; G240-A244 PolarHBondContact O-N 3.23Å; K241-A244 PolarHBondContact O-N 3.23Å; A244-A247 WeakPolarHBondContact O-CB 3.19Å; A244-A247 PolarHBondContact O-N 3.14Å; A244-L248 WeakPolarHBondContact O-CB 3.2Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.39Å; A244-L248 PolarHBondContact O-N 3.38Å; A244-M277 HydrophobicContact CB-CE 4.25Å; A244-M277 HydrophobicContact CB-SD 4.17Å; A244-A280 HydrophobicContact CB-CB 3.99Å; A244-F292 HydrophobicContact CB-CB 4.31Å; A244-F292 HydrophobicContact CB-CD1 3.86Å; A244-F292 HydrophobicContact CB-CD2 3.55Å; A244-F292 HydrophobicContact CB-CE1 3.99Å; A244-F292 HydrophobicContact CB-CE2 3.71Å; A244-F292 HydrophobicContact CB-CG 3.63Å; A244-F292 HydrophobicContact CB-CZ 3.92Å |
| 245 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.2 | -29.5 | 177 | -80.1 | -67.9 | 0 | 0 | 0 | 113.2 | E187 F190 A207 C210 A211 Y214 K241 C242 F243 L248 A249 F292 | E187-F245 HydrophobicContact CB-CE2 4.21Å; E187-F245 HydrophobicContact CB-CZ 3.92Å; E187-F245 HydrophobicContact CG-CE2 4.12Å; E187-F245 HydrophobicContact CG-CZ 3.66Å; F190-F245 HydrophobicContact CB-CE1 4.2Å; F190-F245 HydrophobicContact CD1-CD1 4.42Å; F190-F245 AromaticContact CD1-CE1 3.48Å; F190-F245 HydrophobicContact CD1-CE1 3.48Å; F190-F245 VanDerWaalsContact CD1-CE1 3.48Å; F190-F245 HydrophobicContact CD1-CZ 4.28Å; F190-F245 HydrophobicContact CD2-CE1 4.38Å; F190-F245 AromaticContact CE1-CE1 3.86Å; F190-F245 HydrophobicContact CE1-CE1 3.86Å; F190-F245 HydrophobicContact CG-CD1 4.4Å; F190-F245 AromaticContact CG-CE1 3.75Å; F190-F245 HydrophobicContact CG-CE1 3.75Å; F190-F245 HydrophobicContact CZ-CE1 4.46Å; A207-F245 HydrophobicContact CB-CD1 4.4Å; C210-F245 HydrophobicContact CB-CB 4.31Å; C210-F245 HydrophobicContact CB-CD1 3.86Å; C210-F245 HydrophobicContact CB-CD2 4.35Å; C210-F245 HydrophobicContact CB-CE1 4.33Å; C210-F245 HydrophobicContact CB-CG 3.91Å; C210-F245 VanDerWaalsContact SG-CD2 3.54Å; A211-F245 HydrophobicContact CB-CB 3.79Å; Y214-F245 AromaticContact CD2-CD2 3.78Å; Y214-F245 HydrophobicContact CD2-CD2 3.78Å; Y214-F245 HydrophobicContact CD2-CE2 4.12Å; Y214-F245 AromaticContact CE2-CD2 3.88Å; Y214-F245 HydrophobicContact CE2-CD2 3.88Å; Y214-F245 AromaticContact CE2-CE2 3.72Å; Y214-F245 HydrophobicContact CE2-CE2 3.72Å; K241-F245 HydrophobicContact CB-CD2 4.31Å; K241-F245 HydrophobicContact CB-CE2 4.44Å; K241-F245 WeakPolarHBondContact O-CB 3.38Å; K241-F245 WeakPolarHBondContact O-CD2 3.37Å; K241-F245 PolarHBondContact O-N 2.74Å; C242-F245 PolarHBondContact O-N 3.2Å; F243-F245 VanDerWaalsContact C-N 3.34Å; F243-F245 PolarHBondContact O-N 3.09Å; F245-L248 HydrophobicContact CD1-CD1 4Å; F245-L248 HydrophobicContact CE1-CD1 4.07Å; F245-A249 WeakPolarHBondContact O-CB 3.49Å; F245-A249 PolarHBondContact O-N 3.26Å; F245-F292 HydrophobicContact CD2-CZ 4.49Å; F245-F292 HydrophobicContact CE2-CE1 4.29Å; F245-F292 AromaticContact CE2-CZ 3.87Å; F245-F292 HydrophobicContact CE2-CZ 3.87Å; F245-F292 HydrophobicContact CZ-CE1 4.17Å; F245-F292 HydrophobicContact CZ-CZ 4.14Å |
| 246 | Q | 98.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 20.2 Ų | 20.2 | 26% | 0.262 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 169 | -71.2 | 175.2 | -10.9 | 0 | 0 | 110.3 | A211 C242 F243 A249 Q250 L276 | A211-Q246 HydrophobicContact CB-CB 4.45Å; A211-Q246 HydrophobicContact CB-CG 3.58Å; C242-Q246 VanDerWaalsContact O-CG 3.31Å; C242-Q246 WeakPolarHBondContact O-CG 3.5Å; C242-Q246 PolarHBondContact O-N 3.09Å; F243-Q246 WeakPolarHBondContact O-CB 3.3Å; F243-Q246 PolarHBondContact O-N 3.43Å; Q246-A249 PolarHBondContact O-N 3.19Å; Q246-Q250 WeakPolarHBondContact O-CG 3.47Å; Q246-Q250 PolarHBondContact O-N 3.44Å; Q246-Q250 VanDerWaalsContact O-N 3.12Å; Q246-L276 HydrophobicContact CB-CD1 3.85Å; Q246-L276 HydrophobicContact CB-CD2 4.04Å |
| 247 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F243 A244 A249 Q250 Y251 A273 L276 M277 I299 | F243-A247 PolarHBondContact O-N 2.93Å; A244-A247 WeakPolarHBondContact O-CB 3.19Å; A244-A247 PolarHBondContact O-N 3.14Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3Å; A247-Q250 PolarHBondContact O-N 2.93Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; A247-Y251 WeakPolarHBondContact O-CB 3.47Å; A247-Y251 PolarHBondContact O-N 2.63Å; A247-A273 HydrophobicContact CB-CB 4.38Å; A247-A273 VanDerWaalsContact CB-O 3.29Å; A247-A273 WeakPolarHBondContact CB-O 3.26Å; A247-A273 WeakPolarHBondContact O-CB 3.36Å; A247-L276 HydrophobicContact CB-CB 3.66Å; A247-L276 HydrophobicContact CB-CD1 4.42Å; A247-M277 HydrophobicContact CB-CE 3.79Å; A247-M277 HydrophobicContact CB-CG 3.66Å; A247-M277 HydrophobicContact CB-SD 4.01Å; A247-I299 HydrophobicContact CB-CD1 4.25Å |
| 248 | L | 98.9 | Very high | 98.2 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 177.1 | -72.4 | 167.1 | 0 | 0 | 0 | 112 | F190 A207 A244 F245 Q250 Y251 Y252 M277 F292 E295 | F190-L248 HydrophobicContact CE1-CD1 3.93Å; F190-L248 HydrophobicContact CE2-CB 4.4Å; F190-L248 HydrophobicContact CZ-CB 4.16Å; F190-L248 HydrophobicContact CZ-CD1 3.75Å; F190-L248 HydrophobicContact CZ-CD2 4.26Å; F190-L248 HydrophobicContact CZ-CG 4.28Å; A207-L248 HydrophobicContact CB-CB 4.35Å; A244-L248 WeakPolarHBondContact O-CB 3.2Å; A244-L248 VanDerWaalsContact O-CG 3.26Å; A244-L248 WeakPolarHBondContact O-CG 3.39Å; A244-L248 PolarHBondContact O-N 3.38Å; F245-L248 HydrophobicContact CD1-CD1 4Å; F245-L248 HydrophobicContact CE1-CD1 4.07Å; L248-Q250 PolarHBondContact O-N 3.43Å; L248-Y251 PolarHBondContact O-N 2.76Å; L248-Y252 HydrophobicContact CD2-CE2 4.48Å; L248-Y252 VanDerWaalsContact O-CD2 3.28Å; L248-Y252 WeakPolarHBondContact O-CD2 3.42Å; L248-Y252 PolarHBondContact O-N 3.25Å; L248-M277 HydrophobicContact CD1-CE 4.48Å; L248-M277 HydrophobicContact CD2-CE 4.17Å; L248-M277 HydrophobicContact CG-CE 3.85Å; L248-F292 HydrophobicContact CD1-CD1 4.05Å; L248-F292 HydrophobicContact CD1-CE1 3.94Å; L248-E295 HydrophobicContact CD2-CB 4.06Å; L248-E295 HydrophobicContact CD2-CG 3.9Å |
| 249 | A | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A204 A207 F245 Q246 A247 Y252 Q253 I327 | A204-A249 WeakPolarHBondContact CB-O 3.37Å; A207-A249 HydrophobicContact CB-CB 3.91Å; F245-A249 WeakPolarHBondContact O-CB 3.49Å; F245-A249 PolarHBondContact O-N 3.26Å; Q246-A249 PolarHBondContact O-N 3.19Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3Å; A249-Y252 PolarHBondContact O-N 3.32Å; A249-Q253 WeakPolarHBondContact O-CB 3.19Å; A249-Q253 PolarHBondContact O-N 2.93Å; A249-I327 VanDerWaalsContact C-CD1 3.41Å; A249-I327 HydrophobicContact CB-CD1 3.85Å; A249-I327 VanDerWaalsContact O-CD1 3.3Å; A249-I327 WeakPolarHBondContact O-CD1 3.49Å |
| 250 | Q | 98.8 | Very high | 98 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 13% | 0.131 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.1 | -63.8 | -61.8 | -21.3 | 0 | 0 | 112.4 | Q246 A247 L248 Q253 S254 R269 Y272 A273 L276 I327 | Q246-Q250 WeakPolarHBondContact O-CG 3.47Å; Q246-Q250 PolarHBondContact O-N 3.44Å; Q246-Q250 VanDerWaalsContact O-N 3.12Å; A247-Q250 PolarHBondContact O-N 2.93Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; L248-Q250 PolarHBondContact O-N 3.43Å; Q250-Q253 PolarHBondContact O-N 3.35Å; Q250-S254 WeakPolarHBondContact O-CB 3.37Å; Q250-S254 PolarHBondContact O-N 2.96Å; Q250-R269 HydrophobicContact CB-CB 4.46Å; Q250-Y272 HydrophobicContact CG-CD1 3.84Å; Q250-Y272 HydrophobicContact CG-CE1 4.39Å; Q250-A273 HydrophobicContact CB-CB 3.89Å; Q250-L276 HydrophobicContact CG-CD1 4.22Å; Q250-I327 HydrophobicContact CG-CD1 4.31Å |
| 251 | Y | 98.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -53 | 175.2 | 171 | -107.8 | 0 | 0 | 0 | 112.3 | A247 L248 Q253 S254 L255 L270 I298 I299 A302 | A247-Y251 WeakPolarHBondContact O-CB 3.47Å; A247-Y251 PolarHBondContact O-N 2.63Å; L248-Y251 PolarHBondContact O-N 2.76Å; Y251-Q253 VanDerWaalsContact C-N 3.25Å; Y251-Q253 PolarHBondContact O-N 2.89Å; Y251-S254 PolarHBondContact O-N 2.75Å; Y251-S254 VanDerWaalsContact O-N 3.11Å; Y251-S254 PolarHBondContact O-OG 3.15Å; Y251-L255 HydrophobicContact CE1-CD1 4.26Å; Y251-L255 HydrophobicContact CE2-CD2 4.23Å; Y251-L255 PolarHBondContact O-N 2.99Å; Y251-L270 HydrophobicContact CD2-CD2 3.9Å; Y251-I298 HydrophobicContact CE1-CG2 4.28Å; Y251-I298 HydrophobicContact CE2-CG2 3.93Å; Y251-I298 VanDerWaalsContact OH-CG2 3.3Å; Y251-I298 WeakPolarHBondContact OH-CG2 3.44Å; Y251-I299 HydrophobicContact CD2-CG1 3.73Å; Y251-I299 HydrophobicContact CE2-CG1 4.47Å; Y251-I299 HydrophobicContact CG-CD1 4.33Å; Y251-I299 HydrophobicContact CG-CG1 3.75Å; Y251-A302 HydrophobicContact CE2-CB 4.19Å |
| 252 | Y | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -29.6 | 179.9 | -83.3 | -75.8 | 0 | 0 | 0 | 112.8 | F190 S194 P200 V203 L248 A249 L255 | F190-Y252 HydrophobicContact CE2-CD2 4.15Å; F190-Y252 AromaticContact CE2-CE2 3.87Å; F190-Y252 HydrophobicContact CE2-CE2 3.87Å; F190-Y252 HydrophobicContact CZ-CD2 4.45Å; F190-Y252 AromaticContact CZ-CE2 3.81Å; F190-Y252 HydrophobicContact CZ-CE2 3.81Å; S194-Y252 VanDerWaalsContact CB-OH 3.31Å; S194-Y252 WeakPolarHBondContact CB-OH 3.34Å; P200-Y252 HydrophobicContact CB-CD1 4.26Å; P200-Y252 WeakPolarHBondContact CB-O 3.48Å; V203-Y252 HydrophobicContact CB-CD1 3.85Å; V203-Y252 HydrophobicContact CB-CD2 4.38Å; V203-Y252 HydrophobicContact CB-CE1 4.16Å; V203-Y252 HydrophobicContact CB-CG 3.97Å; V203-Y252 HydrophobicContact CG1-CD1 3.78Å; V203-Y252 HydrophobicContact CG1-CD2 3.63Å; V203-Y252 HydrophobicContact CG1-CE1 3.75Å; V203-Y252 HydrophobicContact CG1-CE2 3.62Å; V203-Y252 HydrophobicContact CG1-CG 3.72Å; L248-Y252 HydrophobicContact CD2-CE2 4.48Å; L248-Y252 VanDerWaalsContact O-CD2 3.28Å; L248-Y252 WeakPolarHBondContact O-CD2 3.42Å; L248-Y252 PolarHBondContact O-N 3.25Å; A249-Y252 PolarHBondContact O-N 3.32Å; Y252-L255 HydrophobicContact CD1-CD1 4.01Å; Y252-L255 HydrophobicContact CE1-CD1 4.42Å |
| 253 | Q | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73 | -34.3 | 173.4 | -172.1 | 66.1 | 39.6 | 0 | 0 | 111.9 | A204 A249 Q250 Y251 L255 M256 A257 R269 I327 | A204-Q253 HydrophobicContact CB-CB 4.09Å; A249-Q253 WeakPolarHBondContact O-CB 3.19Å; A249-Q253 PolarHBondContact O-N 2.93Å; Q250-Q253 PolarHBondContact O-N 3.35Å; Y251-Q253 VanDerWaalsContact C-N 3.25Å; Y251-Q253 PolarHBondContact O-N 2.89Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.73Å; Q253-M256 WeakPolarHBondContact O-CB 3.41Å; Q253-M256 PolarHBondContact O-N 2.91Å; Q253-A257 PolarHBondContact O-N 3.1Å; Q253-R269 VanDerWaalsContact CG-CZ 3.45Å; Q253-R269 VanDerWaalsContact CG-NE 3.35Å; Q253-I327 HydrophobicContact CB-CD1 3.75Å; Q253-I327 HydrophobicContact CB-CG1 4.12Å; Q253-I327 HydrophobicContact CG-CD1 4.23Å; Q253-I327 HydrophobicContact CG-CG1 4.05Å |
| 254 | S | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -30.7 | 176.4 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | Q250 Y251 M256 A257 K258 L270 | Q250-S254 WeakPolarHBondContact O-CB 3.37Å; Q250-S254 PolarHBondContact O-N 2.96Å; Y251-S254 PolarHBondContact O-N 2.75Å; Y251-S254 VanDerWaalsContact O-N 3.11Å; Y251-S254 PolarHBondContact O-OG 3.15Å; S254-M256 PolarHBondContact O-N 3.12Å; S254-A257 WeakPolarHBondContact O-CB 3.26Å; S254-A257 PolarHBondContact O-N 3.04Å; S254-A257 VanDerWaalsContact O-N 3.15Å; S254-K258 WeakPolarHBondContact O-CB 2.89Å; S254-K258 PolarHBondContact O-N 2.88Å; S254-L270 WeakPolarHBondContact OG-CD2 3.48Å; S254-L270 WeakPolarHBondContact OG-CG 3.35Å |
| 255 | L | 97.5 | Very high | 97.5 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -29.6 | 171.9 | -59.4 | -177.1 | 0 | 0 | 0 | 112.5 | P200 Y251 Y252 Q253 E259 | P200-L255 HydrophobicContact CB-CB 4.03Å; P200-L255 HydrophobicContact CB-CD1 4.27Å; P200-L255 HydrophobicContact CG-CB 4.31Å; P200-L255 HydrophobicContact CG-CD1 4.37Å; Y251-L255 HydrophobicContact CE1-CD1 4.26Å; Y251-L255 HydrophobicContact CE2-CD2 4.23Å; Y251-L255 PolarHBondContact O-N 2.99Å; Y252-L255 HydrophobicContact CD1-CD1 4.01Å; Y252-L255 HydrophobicContact CE1-CD1 4.42Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.73Å; L255-E259 PolarHBondContact O-N 2.91Å; L255-E259 VanDerWaalsContact O-N 3.12Å |
| 256 | M | 95.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.5 | -36.8 | 176.4 | -57.5 | -80.6 | 74.4 | 0 | 0 | 112.7 | P200 T201 Q253 S254 K258 E259 S260 | P200-M256 HydrophobicContact CB-CE 3.87Å; P200-M256 HydrophobicContact CB-CG 4.07Å; P200-M256 HydrophobicContact CB-SD 4.04Å; P200-M256 HydrophobicContact CG-CE 3.66Å; P200-M256 HydrophobicContact CG-SD 4.35Å; T201-M256 HydrophobicContact CG2-CG 3.99Å; T201-M256 HydrophobicContact CG2-SD 4.26Å; T201-M256 PolarHBondContact OG1-SD 3.05Å; Q253-M256 WeakPolarHBondContact O-CB 3.41Å; Q253-M256 PolarHBondContact O-N 2.91Å; S254-M256 PolarHBondContact O-N 3.12Å; M256-K258 VanDerWaalsContact C-N 3.29Å; M256-E259 HydrophobicContact CE-CB 4.34Å; M256-E259 WeakPolarHBondContact CE-OE2 3.41Å; M256-E259 PolarHBondContact O-N 2.71Å; M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.46Å; M256-S260 PolarHBondContact O-OG 2.78Å |
| 257 | A | 96.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q253 S254 E259 S260 K261 D262 E265 E266 | Q253-A257 PolarHBondContact O-N 3.1Å; S254-A257 WeakPolarHBondContact O-CB 3.26Å; S254-A257 PolarHBondContact O-N 3.04Å; S254-A257 VanDerWaalsContact O-N 3.15Å; A257-E259 PolarHBondContact O-N 2.67Å; A257-S260 CarbonylContact O-C 3.41Å; A257-S260 WeakPolarHBondContact O-CA 3.46Å; A257-S260 PolarHBondContact O-N 3.43Å; A257-S260 VanDerWaalsContact O-N 3.13Å; A257-K261 PolarHBondContact O-N 3.47Å; A257-D262 HydrophobicContact CB-CB 4.35Å; A257-D262 PolarHBondContact O-N 3.3Å; A257-E265 HydrophobicContact CB-CB 3.97Å; A257-E265 HydrophobicContact CB-CG 3.93Å; A257-E266 HydrophobicContact CB-CB 4.05Å |
| 258 | K | 96.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.4 | -50.1 | 173.3 | -172 | 178.3 | -164.9 | 133.1 | 0 | 113.1 | S254 M256 S260 K261 E266 | S254-K258 WeakPolarHBondContact O-CB 2.89Å; S254-K258 PolarHBondContact O-N 2.88Å; M256-K258 VanDerWaalsContact C-N 3.29Å; K258-S260 PolarHBondContact O-N 3.25Å; K258-K261 PolarHBondContact O-N 3.04Å; K258-E266 HydrophobicContact CB-CG 4.28Å; K258-E266 VanDerWaalsContact CD-OE1 3.32Å; K258-E266 WeakPolarHBondContact CD-OE1 3.31Å; K258-E266 IonicContact NZ-OE1 3.26Å; K258-E266 PolarHBondContact NZ-OE1 3.22Å |
| 259 | E | 94.8 | Very high | 97.5 | Very high | 150 Ų | 150 | 42 Ų | 42 | 70% | 0.701 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.7 | -34.3 | 177.9 | -172.6 | 175.7 | 175.3 | 0 | 0 | 111.7 | L255 M256 A257 K261 | L255-E259 PolarHBondContact O-N 2.91Å; L255-E259 VanDerWaalsContact O-N 3.12Å; M256-E259 HydrophobicContact CE-CB 4.34Å; M256-E259 WeakPolarHBondContact CE-OE2 3.41Å; M256-E259 PolarHBondContact O-N 2.71Å; A257-E259 PolarHBondContact O-N 2.67Å; E259-K261 VanDerWaalsContact C-N 3.25Å; E259-K261 PolarHBondContact O-N 3.26Å |
| 260 | S | 95.5 | Very high | 97.5 | Very high | 94 Ų | 94 | 42 Ų | 42 | 66% | 0.657 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.3 | 176.8 | -51 | 0 | 0 | 0 | 0 | 113.7 | M256 A257 K258 D262 | M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.46Å; M256-S260 PolarHBondContact O-OG 2.78Å; A257-S260 CarbonylContact O-C 3.41Å; A257-S260 WeakPolarHBondContact O-CA 3.46Å; A257-S260 PolarHBondContact O-N 3.43Å; A257-S260 VanDerWaalsContact O-N 3.13Å; K258-S260 PolarHBondContact O-N 3.25Å; S260-D262 PolarHBondContact O-N 2.96Å |
| 261 | K | 95.3 | Very high | 97.5 | Very high | 183 Ų | 183 | 43.8 Ų | 43.8 | 80% | 0.796 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 25.6 | -174 | -53.4 | -178.7 | -179.6 | -179.4 | 0 | 114.2 | A257 K258 E259 V263 | A257-K261 PolarHBondContact O-N 3.47Å; K258-K261 PolarHBondContact O-N 3.04Å; E259-K261 VanDerWaalsContact C-N 3.25Å; E259-K261 PolarHBondContact O-N 3.26Å; K261-V263 PolarHBondContact O-N 3.41Å |
| 262 | D | 96.7 | Very high | 97.4 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | trans | -87.3 | 81.9 | 172 | -169.2 | -22.1 | 0 | 0 | 0 | 109.4 | A257 S260 G264 E265 E266 | A257-D262 HydrophobicContact CB-CB 4.35Å; A257-D262 PolarHBondContact O-N 3.3Å; S260-D262 PolarHBondContact O-N 2.96Å; D262-G264 VanDerWaalsContact C-N 3.3Å; D262-G264 PolarHBondContact O-N 2.94Å; D262-E265 HydrophobicContact CB-CB 4.27Å; D262-E265 VanDerWaalsContact CG-CB 3.48Å; D262-E265 PolarHBondContact O-N 3.5Å; D262-E265 WeakPolarHBondContact OD1-CB 3.41Å; D262-E265 PolarHBondContact OD1-N 2.86Å; D262-E266 WeakPolarHBondContact O-CB 3.41Å; D262-E266 PolarHBondContact O-N 2.94Å | ||
| 263 | V | 97.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -34.1 | -175.8 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | K261 E266 L267 N310 Y314 E316 | K261-V263 PolarHBondContact O-N 3.41Å; V263-E266 PolarHBondContact O-N 3.41Å; V263-L267 HydrophobicContact CG1-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CB 3.28Å; V263-L267 PolarHBondContact O-N 2.97Å; V263-N310 HydrophobicContact CG1-CB 3.95Å; V263-N310 WeakPolarHBondContact CG1-OD1 3.33Å; V263-Y314 HydrophobicContact CB-CD2 4.45Å; V263-Y314 HydrophobicContact CB-CG 4.46Å; V263-Y314 HydrophobicContact CG1-CD2 3.99Å; V263-Y314 HydrophobicContact CG1-CG 4.33Å; V263-Y314 HydrophobicContact CG2-CD1 4.12Å; V263-Y314 HydrophobicContact CG2-CD2 3.74Å; V263-Y314 HydrophobicContact CG2-CE1 4.37Å; V263-Y314 HydrophobicContact CG2-CE2 4Å; V263-Y314 HydrophobicContact CG2-CG 3.8Å; V263-E316 HydrophobicContact CB-CB 4.37Å; V263-E316 HydrophobicContact CB-CG 4.14Å |
| 264 | G | 97.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -52.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D262 L267 A268 P319 | D262-G264 VanDerWaalsContact C-N 3.3Å; D262-G264 PolarHBondContact O-N 2.94Å; G264-L267 PolarHBondContact O-N 3.39Å; G264-A268 WeakPolarHBondContact O-CB 3.25Å; G264-A268 PolarHBondContact O-N 3.01Å; G264-P319 VanDerWaalsContact C-CD 3.48Å; G264-P319 VanDerWaalsContact O-CD 3.23Å; G264-P319 WeakPolarHBondContact O-CD 3.34Å |
| 265 | E | 98 | Very high | 97.5 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.7 | -177.5 | 173.4 | 148.3 | 0 | 0 | 112.1 | A257 D262 L267 A268 R269 V324 P325 | A257-E265 HydrophobicContact CB-CB 3.97Å; A257-E265 HydrophobicContact CB-CG 3.93Å; D262-E265 HydrophobicContact CB-CB 4.27Å; D262-E265 VanDerWaalsContact CG-CB 3.48Å; D262-E265 PolarHBondContact O-N 3.5Å; D262-E265 WeakPolarHBondContact OD1-CB 3.41Å; D262-E265 PolarHBondContact OD1-N 2.86Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.08Å; E265-A268 PolarHBondContact O-N 2.94Å; E265-R269 HydrophobicContact CG-CG 4.26Å; E265-R269 WeakPolarHBondContact O-CB 3.49Å; E265-R269 WeakPolarHBondContact O-CG 3.35Å; E265-R269 PolarHBondContact O-N 3.27Å; E265-R269 IonicContact OE1-CZ 3.6Å; E265-R269 IonicContact OE1-NE 2.93Å; E265-R269 PolarHBondContact OE1-NE 2.83Å; E265-R269 IonicContact OE1-NH2 2.72Å; E265-R269 PolarHBondContact OE1-NH2 3.39Å; E265-V324 HydrophobicContact CG-CB 4.3Å; E265-V324 HydrophobicContact CG-CG1 4.12Å; E265-P325 WeakPolarHBondContact OE2-CD 3.49Å |
| 266 | E | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.1 | -51.7 | 175.6 | 177.5 | -179.7 | -172.3 | 0 | 0 | 110.5 | A257 K258 D262 V263 R269 L270 A306 | A257-E266 HydrophobicContact CB-CB 4.05Å; K258-E266 HydrophobicContact CB-CG 4.28Å; K258-E266 VanDerWaalsContact CD-OE1 3.32Å; K258-E266 WeakPolarHBondContact CD-OE1 3.31Å; K258-E266 IonicContact NZ-OE1 3.26Å; K258-E266 PolarHBondContact NZ-OE1 3.22Å; D262-E266 WeakPolarHBondContact O-CB 3.41Å; D262-E266 PolarHBondContact O-N 2.94Å; V263-E266 PolarHBondContact O-N 3.41Å; E266-R269 PolarHBondContact O-N 3.29Å; E266-L270 HydrophobicContact CG-CD1 3.71Å; E266-L270 HydrophobicContact CG-CG 4.42Å; E266-L270 WeakPolarHBondContact O-CB 3.45Å; E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.41Å; E266-L270 PolarHBondContact O-N 3.33Å; E266-A306 HydrophobicContact CG-CB 4.33Å |
| 267 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | -179 | -84.9 | 171.8 | 0 | 0 | 0 | 113.6 | V263 G264 E265 R269 L270 Q271 Y303 A306 K307 N310 I318 | V263-L267 HydrophobicContact CG1-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CB 3.28Å; V263-L267 PolarHBondContact O-N 2.97Å; G264-L267 PolarHBondContact O-N 3.39Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.08Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.38Å; L267-L270 PolarHBondContact O-N 3.42Å; L267-Q271 VanDerWaalsContact O-CB 3.28Å; L267-Q271 WeakPolarHBondContact O-CB 3.47Å; L267-Q271 PolarHBondContact O-N 3Å; L267-Y303 HydrophobicContact CD2-CD2 4.09Å; L267-Y303 HydrophobicContact CD2-CE2 4.03Å; L267-A306 HydrophobicContact CD2-CB 3.79Å; L267-A306 HydrophobicContact CG-CB 4.2Å; L267-K307 HydrophobicContact CD2-CB 3.98Å; L267-N310 HydrophobicContact CD1-CB 3.43Å; L267-N310 VanDerWaalsContact CD1-CB 3.43Å; L267-I318 HydrophobicContact CB-CD1 4.2Å; L267-I318 HydrophobicContact CB-CG1 4.06Å; L267-I318 HydrophobicContact CB-CG2 4.17Å; L267-I318 HydrophobicContact CD1-CD1 4Å; L267-I318 HydrophobicContact CD1-CG1 3.98Å |
| 268 | A | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G264 E265 Y272 I318 P319 V324 | G264-A268 WeakPolarHBondContact O-CB 3.25Å; G264-A268 PolarHBondContact O-N 3.01Å; E265-A268 PolarHBondContact O-N 2.94Å; A268-Y272 WeakPolarHBondContact O-CB 3.15Å; A268-Y272 PolarHBondContact O-N 3.19Å; A268-I318 HydrophobicContact CB-CG2 3.97Å; A268-P319 HydrophobicContact CB-CG 3.88Å; A268-P319 WeakPolarHBondContact CB-O 3.14Å; A268-V324 HydrophobicContact CB-CG1 4.01Å |
| 269 | R | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.9 | -43.9 | 177.5 | -68.7 | -173.5 | -174.5 | -70.1 | -0.9 | 112.7 | Q250 Q253 E265 E266 L267 Y272 A273 I321 V324 P325 | Q250-R269 HydrophobicContact CB-CB 4.46Å; Q253-R269 VanDerWaalsContact CG-CZ 3.45Å; Q253-R269 VanDerWaalsContact CG-NE 3.35Å; E265-R269 HydrophobicContact CG-CG 4.26Å; E265-R269 WeakPolarHBondContact O-CB 3.49Å; E265-R269 WeakPolarHBondContact O-CG 3.35Å; E265-R269 PolarHBondContact O-N 3.27Å; E265-R269 IonicContact OE1-CZ 3.6Å; E265-R269 IonicContact OE1-NE 2.93Å; E265-R269 PolarHBondContact OE1-NE 2.83Å; E265-R269 IonicContact OE1-NH2 2.72Å; E265-R269 PolarHBondContact OE1-NH2 3.39Å; E266-R269 PolarHBondContact O-N 3.29Å; L267-R269 VanDerWaalsContact C-N 3.27Å; L267-R269 PolarHBondContact O-N 3.38Å; R269-Y272 PolarHBondContact O-N 3.14Å; R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.33Å; R269-A273 PolarHBondContact O-N 2.84Å; R269-I321 HydrophobicContact CG-CD1 4.35Å; R269-V324 HydrophobicContact CG-CG2 4.42Å; R269-P325 PolarHBondContact NH1-O 2.99Å; R269-P325 PolarHBondContact NH2-O 2.87Å |
| 270 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 179 | -75.7 | 174.1 | 0 | 0 | 0 | 112.1 | Y251 S254 E266 L267 A273 D274 A302 Y303 A306 | Y251-L270 HydrophobicContact CD2-CD2 3.9Å; S254-L270 WeakPolarHBondContact OG-CD2 3.48Å; S254-L270 WeakPolarHBondContact OG-CG 3.35Å; E266-L270 HydrophobicContact CG-CD1 3.71Å; E266-L270 HydrophobicContact CG-CG 4.42Å; E266-L270 WeakPolarHBondContact O-CB 3.45Å; E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.41Å; E266-L270 PolarHBondContact O-N 3.33Å; L267-L270 PolarHBondContact O-N 3.42Å; L270-A273 PolarHBondContact O-N 3.03Å; L270-D274 PolarHBondContact O-N 3.15Å; L270-A302 HydrophobicContact CD1-CB 4.27Å; L270-A302 HydrophobicContact CD2-CB 3.93Å; L270-Y303 HydrophobicContact CB-CD2 4.07Å; L270-A306 HydrophobicContact CD1-CB 3.85Å |
| 271 | Q | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.2 | -49 | 175 | -176.8 | -179.5 | -17.2 | 0 | 0 | 110.9 | L267 A273 D274 E275 Y303 | L267-Q271 VanDerWaalsContact O-CB 3.28Å; L267-Q271 WeakPolarHBondContact O-CB 3.47Å; L267-Q271 PolarHBondContact O-N 3Å; Q271-A273 VanDerWaalsContact C-N 3.32Å; Q271-A273 PolarHBondContact O-N 3.45Å; Q271-D274 WeakPolarHBondContact O-CB 3.35Å; Q271-D274 PolarHBondContact O-N 3.39Å; Q271-E275 PolarHBondContact NE2-OE1 3.1Å; Q271-E275 WeakPolarHBondContact O-CG 3.31Å; Q271-E275 PolarHBondContact O-N 3.02Å; Q271-Y303 HydrophobicContact CB-CD2 4.13Å; Q271-Y303 HydrophobicContact CB-CE2 3.66Å; Q271-Y303 HydrophobicContact CG-CE2 4.16Å |
| 272 | Y | 98.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 28% | 0.282 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66 | -35.3 | 179.2 | -173.8 | -129.7 | 0 | 0 | 0 | 112.4 | Q250 A268 R269 D274 E275 L276 I321 | Q250-Y272 HydrophobicContact CG-CD1 3.84Å; Q250-Y272 HydrophobicContact CG-CE1 4.39Å; A268-Y272 WeakPolarHBondContact O-CB 3.15Å; A268-Y272 PolarHBondContact O-N 3.19Å; R269-Y272 PolarHBondContact O-N 3.14Å; Y272-D274 VanDerWaalsContact C-N 3.34Å; Y272-E275 PolarHBondContact O-N 3.26Å; Y272-L276 HydrophobicContact CD1-CD1 3.63Å; Y272-L276 HydrophobicContact CD1-CG 4.4Å; Y272-L276 HydrophobicContact CD2-CD1 4.35Å; Y272-L276 HydrophobicContact CD2-CG 4.27Å; Y272-L276 HydrophobicContact CE1-CD1 3.51Å; Y272-L276 HydrophobicContact CE1-CD2 4.46Å; Y272-L276 HydrophobicContact CE1-CG 4.2Å; Y272-L276 HydrophobicContact CE2-CD1 4.23Å; Y272-L276 HydrophobicContact CE2-CD2 4.23Å; Y272-L276 HydrophobicContact CE2-CG 4.03Å; Y272-L276 HydrophobicContact CG-CD1 4.07Å; Y272-L276 HydrophobicContact CG-CG 4.45Å; Y272-L276 WeakPolarHBondContact O-CB 3.28Å; Y272-L276 WeakPolarHBondContact O-CD1 3.38Å; Y272-L276 WeakPolarHBondContact O-CG 3.4Å; Y272-L276 PolarHBondContact O-N 2.95Å; Y272-I321 HydrophobicContact CD1-CB 4.44Å; Y272-I321 HydrophobicContact CD1-CD1 3.66Å; Y272-I321 HydrophobicContact CD1-CG1 3.41Å; Y272-I321 VanDerWaalsContact CD1-CG1 3.41Å; Y272-I321 HydrophobicContact CD2-CG1 4.48Å; Y272-I321 HydrophobicContact CD2-CG2 4.41Å; Y272-I321 HydrophobicContact CE1-CG1 3.96Å; Y272-I321 HydrophobicContact CG-CB 4.29Å; Y272-I321 HydrophobicContact CG-CD1 3.97Å; Y272-I321 HydrophobicContact CG-CG1 3.7Å; Y272-I321 HydrophobicContact CG-CG2 4.41Å |
| 273 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A247 Q250 R269 L270 Q271 L276 M277 I299 | A247-A273 HydrophobicContact CB-CB 4.38Å; A247-A273 VanDerWaalsContact CB-O 3.29Å; A247-A273 WeakPolarHBondContact CB-O 3.26Å; A247-A273 WeakPolarHBondContact O-CB 3.36Å; Q250-A273 HydrophobicContact CB-CB 3.89Å; R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.33Å; R269-A273 PolarHBondContact O-N 2.84Å; L270-A273 PolarHBondContact O-N 3.03Å; Q271-A273 VanDerWaalsContact C-N 3.32Å; Q271-A273 PolarHBondContact O-N 3.45Å; A273-L276 PolarHBondContact O-N 3.07Å; A273-M277 PolarHBondContact O-N 3.29Å; A273-I299 HydrophobicContact CB-CD1 4.41Å; A273-I299 HydrophobicContact CB-CG2 3.68Å |
| 274 | D | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 16% | 0.155 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 176.9 | -159.2 | 58.3 | 0 | 0 | 0 | 110.9 | L270 Q271 Y272 L276 M277 V278 I299 H300 | L270-D274 PolarHBondContact O-N 3.15Å; Q271-D274 WeakPolarHBondContact O-CB 3.35Å; Q271-D274 PolarHBondContact O-N 3.39Å; Y272-D274 VanDerWaalsContact C-N 3.34Å; D274-L276 VanDerWaalsContact C-N 3.33Å; D274-L276 PolarHBondContact O-N 3.43Å; D274-M277 PolarHBondContact O-N 3.03Å; D274-M277 VanDerWaalsContact O-N 3.15Å; D274-V278 PolarHBondContact O-N 2.87Å; D274-V278 VanDerWaalsContact O-N 3.09Å; D274-I299 HydrophobicContact CB-CG2 4.24Å; D274-H300 WeakPolarHBondContact OD1-CA 3.49Å; D274-H300 VanDerWaalsContact OD1-CB 3.31Å; D274-H300 WeakPolarHBondContact OD1-CB 3.09Å; D274-H300 IonicContact OD1-CG 2.63Å; D274-H300 IonicContact OD1-ND1 2.74Å; D274-H300 PolarHBondContact OD1-ND1 3.49Å; D274-H300 IonicContact OD2-CE1 3.16Å; D274-H300 IonicContact OD2-ND1 3.56Å; D274-H300 PolarHBondContact OD2-ND1 3.32Å; D274-H300 VanDerWaalsContact OD2-ND1 3.11Å |
| 275 | E | 98.6 | Very high | 98.1 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 43% | 0.425 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.7 | -69.3 | 170.3 | -168.3 | 0 | 0 | 112.2 | Q271 Y272 V278 M279 | Q271-E275 PolarHBondContact NE2-OE1 3.1Å; Q271-E275 WeakPolarHBondContact O-CG 3.31Å; Q271-E275 PolarHBondContact O-N 3.02Å; Y272-E275 PolarHBondContact O-N 3.26Å; E275-V278 PolarHBondContact O-N 3.23Å; E275-M279 PolarHBondContact O-N 3.48Å |
| 276 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.5 | -73.4 | 164.9 | 0 | 0 | 0 | 112.3 | F243 Q246 A247 Q250 Y272 A273 D274 M279 A280 | F243-L276 HydrophobicContact CD1-CD2 3.77Å; F243-L276 HydrophobicContact CE1-CD2 4.35Å; Q246-L276 HydrophobicContact CB-CD1 3.85Å; Q246-L276 HydrophobicContact CB-CD2 4.04Å; A247-L276 HydrophobicContact CB-CB 3.66Å; A247-L276 HydrophobicContact CB-CD1 4.42Å; Q250-L276 HydrophobicContact CG-CD1 4.22Å; Y272-L276 HydrophobicContact CD1-CD1 3.63Å; Y272-L276 HydrophobicContact CD1-CG 4.4Å; Y272-L276 HydrophobicContact CD2-CD1 4.35Å; Y272-L276 HydrophobicContact CD2-CG 4.27Å; Y272-L276 HydrophobicContact CE1-CD1 3.51Å; Y272-L276 HydrophobicContact CE1-CD2 4.46Å; Y272-L276 HydrophobicContact CE1-CG 4.2Å; Y272-L276 HydrophobicContact CE2-CD1 4.23Å; Y272-L276 HydrophobicContact CE2-CD2 4.23Å; Y272-L276 HydrophobicContact CE2-CG 4.03Å; Y272-L276 HydrophobicContact CG-CD1 4.07Å; Y272-L276 HydrophobicContact CG-CG 4.45Å; Y272-L276 WeakPolarHBondContact O-CB 3.28Å; Y272-L276 WeakPolarHBondContact O-CD1 3.38Å; Y272-L276 WeakPolarHBondContact O-CG 3.4Å; Y272-L276 PolarHBondContact O-N 2.95Å; A273-L276 PolarHBondContact O-N 3.07Å; D274-L276 VanDerWaalsContact C-N 3.33Å; D274-L276 PolarHBondContact O-N 3.43Å; L276-M279 HydrophobicContact CB-CE 4.5Å; L276-M279 HydrophobicContact CD2-CE 3.63Å; L276-M279 HydrophobicContact CG-CE 4.22Å; L276-M279 PolarHBondContact O-N 3.07Å; L276-A280 PolarHBondContact O-N 3.29Å |
| 277 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.4 | -36.4 | 176.1 | -82.5 | -57.9 | -177.8 | 0 | 0 | 112.5 | A244 A247 L248 A273 D274 A280 Q281 F292 E295 I299 | A244-M277 HydrophobicContact CB-CE 4.25Å; A244-M277 HydrophobicContact CB-SD 4.17Å; A247-M277 HydrophobicContact CB-CE 3.79Å; A247-M277 HydrophobicContact CB-CG 3.66Å; A247-M277 HydrophobicContact CB-SD 4.01Å; L248-M277 HydrophobicContact CD1-CE 4.48Å; L248-M277 HydrophobicContact CD2-CE 4.17Å; L248-M277 HydrophobicContact CG-CE 3.85Å; A273-M277 PolarHBondContact O-N 3.29Å; D274-M277 PolarHBondContact O-N 3.03Å; D274-M277 VanDerWaalsContact O-N 3.15Å; M277-A280 WeakPolarHBondContact O-CB 3.34Å; M277-A280 PolarHBondContact O-N 3.36Å; M277-A280 HydrophobicContact SD-CB 4.45Å; M277-Q281 WeakPolarHBondContact O-CG 3.27Å; M277-Q281 PolarHBondContact O-N 2.92Å; M277-F292 HydrophobicContact CE-CB 4.3Å; M277-F292 HydrophobicContact SD-CB 4.25Å; M277-E295 HydrophobicContact CE-CB 3.96Å; M277-I299 HydrophobicContact CE-CD1 3.67Å; M277-I299 HydrophobicContact CG-CD1 3.83Å |
| 278 | V | 98.3 | Very high | 97.5 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 172.1 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | D274 E275 A280 Q281 E282 | D274-V278 PolarHBondContact O-N 2.87Å; D274-V278 VanDerWaalsContact O-N 3.09Å; E275-V278 PolarHBondContact O-N 3.23Å; V278-A280 VanDerWaalsContact C-N 3.26Å; V278-A280 PolarHBondContact O-N 3.38Å; V278-Q281 PolarHBondContact O-N 3.16Å; V278-Q281 VanDerWaalsContact O-N 3.16Å; V278-E282 WeakPolarHBondContact O-CG 3.37Å; V278-E282 PolarHBondContact O-N 3.04Å |
| 279 | M | 98.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -32.5 | 176.5 | -69 | -172 | -69.8 | 0 | 0 | 113.1 | F243 E275 L276 | F243-M279 HydrophobicContact CD1-CB 4.17Å; F243-M279 HydrophobicContact CD1-CE 3.93Å; F243-M279 HydrophobicContact CD1-SD 4.48Å; F243-M279 HydrophobicContact CD2-CB 4.32Å; F243-M279 HydrophobicContact CE1-CB 4.46Å; F243-M279 HydrophobicContact CE1-CE 3.85Å; F243-M279 HydrophobicContact CE1-SD 4.05Å; F243-M279 HydrophobicContact CG-CB 4.08Å; F243-M279 HydrophobicContact CZ-SD 4.42Å; E275-M279 PolarHBondContact O-N 3.48Å; L276-M279 HydrophobicContact CB-CE 4.5Å; L276-M279 HydrophobicContact CD2-CE 3.63Å; L276-M279 HydrophobicContact CG-CE 4.22Å; L276-M279 PolarHBondContact O-N 3.07Å |
| 280 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G240 F243 A244 L276 M277 V278 E282 K283 L284 | G240-A280 WeakPolarHBondContact O-CB 3.41Å; F243-A280 HydrophobicContact CB-CB 3.74Å; A244-A280 HydrophobicContact CB-CB 3.99Å; L276-A280 PolarHBondContact O-N 3.29Å; M277-A280 WeakPolarHBondContact O-CB 3.34Å; M277-A280 PolarHBondContact O-N 3.36Å; M277-A280 HydrophobicContact SD-CB 4.45Å; V278-A280 VanDerWaalsContact C-N 3.26Å; V278-A280 PolarHBondContact O-N 3.38Å; A280-E282 VanDerWaalsContact C-N 3.34Å; A280-E282 PolarHBondContact O-N 2.9Å; A280-K283 PolarHBondContact O-N 3.34Å; A280-K283 VanDerWaalsContact O-N 3.09Å; A280-L284 HydrophobicContact CB-CD1 4.49Å; A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.46Å; A280-L284 PolarHBondContact O-N 2.77Å |
| 281 | Q | 97.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -32.2 | -178.9 | -67.5 | -61.8 | 0.5 | 0 | 0 | 113.2 | M277 V278 K283 L284 A289 L291 | M277-Q281 WeakPolarHBondContact O-CG 3.27Å; M277-Q281 PolarHBondContact O-N 2.92Å; V278-Q281 PolarHBondContact O-N 3.16Å; V278-Q281 VanDerWaalsContact O-N 3.16Å; Q281-K283 PolarHBondContact O-N 2.77Å; Q281-L284 PolarHBondContact O-N 3.36Å; Q281-A289 PolarHBondContact OE1-O 2.92Å; Q281-L291 PolarHBondContact NE2-O 3.17Å |
| 282 | E | 97.5 | Very high | 97.1 | Very high | 141 Ų | 141 | 57.6 Ų | 57.6 | 66% | 0.659 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.5 | -28.9 | 172.1 | -73.6 | 177.8 | 172.5 | 0 | 0 | 112.9 | V278 A280 | V278-E282 WeakPolarHBondContact O-CG 3.37Å; V278-E282 PolarHBondContact O-N 3.04Å; A280-E282 VanDerWaalsContact C-N 3.34Å; A280-E282 PolarHBondContact O-N 2.9Å |
| 283 | K | 97.2 | Very high | 97.1 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -89.9 | -34.6 | 178.1 | -65.9 | -167.4 | -177 | -53.3 | 0 | 113 | P236 F243 A280 Q281 T285 | P236-K283 VanDerWaalsContact CB-O 3.29Å; P236-K283 WeakPolarHBondContact CB-O 3.44Å; F243-K283 HydrophobicContact CD2-CD 3.98Å; F243-K283 HydrophobicContact CE2-CD 4.03Å; A280-K283 PolarHBondContact O-N 3.34Å; A280-K283 VanDerWaalsContact O-N 3.09Å; Q281-K283 PolarHBondContact O-N 2.77Å; K283-T285 PolarHBondContact O-N 3.3Å |
| 284 | L | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | trans | -78.8 | 100.6 | -178.3 | -65 | 169.1 | 0 | 0 | 0 | 109.3 | L237 A280 Q281 N288 A289 L291 F292 | L237-L284 HydrophobicContact CD1-CD2 4.02Å; A280-L284 HydrophobicContact CB-CD1 4.49Å; A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.46Å; A280-L284 PolarHBondContact O-N 2.77Å; Q281-L284 PolarHBondContact O-N 3.36Å; L284-N288 HydrophobicContact CD2-CB 4.32Å; L284-A289 WeakPolarHBondContact O-CA 3.38Å; L284-L291 HydrophobicContact CD1-CB 4.18Å; L284-L291 HydrophobicContact CD2-CD1 4.39Å; L284-F292 HydrophobicContact CD1-CD2 3.78Å; L284-F292 HydrophobicContact CD1-CE2 4.38Å | ||
| 285 | T | 93.3 | Very high | 97 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | trans | -121.9 | 173.8 | -176 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | K283 Q287 N288 | K283-T285 PolarHBondContact O-N 3.3Å; T285-Q287 PolarHBondContact O-N 3.35Å; T285-N288 WeakPolarHBondContact O-CB 3.29Å; T285-N288 PolarHBondContact O-N 3.47Å | ||
| 286 | G | 93 | Very high | 96.9 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | 57.6 | -128.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | N288 A289 | G286-N288 PolarHBondContact O-N 3.02Å; G286-N288 VanDerWaalsContact O-N 3.15Å; G286-A289 WeakPolarHBondContact O-CB 3.29Å; G286-A289 PolarHBondContact O-N 2.95Å |
| 287 | Q | 93.9 | Very high | 96.9 | Very high | 173 Ų | 173 | 65.4 Ų | 65.4 | 81% | 0.808 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -64.5 | -16.2 | 179 | 70 | -176.8 | 23.8 | 0 | 0 | 113.9 | T285 | T285-Q287 PolarHBondContact O-N 3.35Š|
| 288 | N | 95.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 10% | 0.096 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -96.4 | -2.7 | -178.2 | -61.8 | -49.8 | 0 | 0 | 0 | 113 | L237 L284 T285 G286 Q290 L291 | L237-N288 HydrophobicContact CD1-CB 4.39Å; L284-N288 HydrophobicContact CD2-CB 4.32Å; T285-N288 WeakPolarHBondContact O-CB 3.29Å; T285-N288 PolarHBondContact O-N 3.47Å; G286-N288 PolarHBondContact O-N 3.02Å; G286-N288 VanDerWaalsContact O-N 3.15Å; N288-Q290 PolarHBondContact O-N 3.27Å; N288-Q290 VanDerWaalsContact O-N 3.08Å; N288-L291 HydrophobicContact CB-CD1 3.84Å; N288-L291 HydrophobicContact CB-CG 4.33Å; N288-L291 VanDerWaalsContact O-CB 3.31Å; N288-L291 WeakPolarHBondContact O-CB 3.47Å; N288-L291 WeakPolarHBondContact O-CG 3.36Å; N288-L291 PolarHBondContact O-N 3.5Å |
| 289 | A | 95.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q281 L284 G286 | Q281-A289 PolarHBondContact OE1-O 2.92Å; L284-A289 WeakPolarHBondContact O-CA 3.38Å; G286-A289 WeakPolarHBondContact O-CB 3.29Å; G286-A289 PolarHBondContact O-N 2.95Å |
| 290 | Q | 96.5 | Very high | 96.9 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.7 | 177.4 | -63.2 | -60 | -35.4 | 0 | 0 | 112.8 | N288 F292 H293 | N288-Q290 PolarHBondContact O-N 3.27Å; N288-Q290 VanDerWaalsContact O-N 3.08Å; Q290-F292 PolarHBondContact O-N 3.41Å; Q290-H293 WeakPolarHBondContact O-CB 3.39Å; Q290-H293 PolarHBondContact O-N 3.37Å |
| 291 | L | 96.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 136.4 | 174.9 | -66.1 | -178.7 | 0 | 0 | 0 | 109.5 | L237 Q281 L284 N288 H293 | L237-L291 HydrophobicContact CD1-CD1 3.8Å; Q281-L291 PolarHBondContact NE2-O 3.17Å; L284-L291 HydrophobicContact CD1-CB 4.18Å; L284-L291 HydrophobicContact CD2-CD1 4.39Å; N288-L291 HydrophobicContact CB-CD1 3.84Å; N288-L291 HydrophobicContact CB-CG 4.33Å; N288-L291 VanDerWaalsContact O-CB 3.31Å; N288-L291 WeakPolarHBondContact O-CB 3.47Å; N288-L291 WeakPolarHBondContact O-CG 3.36Å; N288-L291 PolarHBondContact O-N 3.5Å; L291-H293 PolarHBondContact O-N 2.89Å; L291-H293 VanDerWaalsContact O-N 3.17Å |
| 292 | F | 97.9 | Very high | 97 | Very high | 26 Ų | 26 | 71.4 Ų | 71.4 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.7 | -178.6 | -50.9 | -81.4 | 0 | 0 | 0 | 115.9 | K241 A244 F245 L248 M277 L284 Q290 E295 S296 | K241-F292 HydrophobicContact CG-CE2 3.95Å; K241-F292 HydrophobicContact CG-CZ 4.25Å; A244-F292 HydrophobicContact CB-CB 4.31Å; A244-F292 HydrophobicContact CB-CD1 3.86Å; A244-F292 HydrophobicContact CB-CD2 3.55Å; A244-F292 HydrophobicContact CB-CE1 3.99Å; A244-F292 HydrophobicContact CB-CE2 3.71Å; A244-F292 HydrophobicContact CB-CG 3.63Å; A244-F292 HydrophobicContact CB-CZ 3.92Å; F245-F292 HydrophobicContact CD2-CZ 4.49Å; F245-F292 HydrophobicContact CE2-CE1 4.29Å; F245-F292 AromaticContact CE2-CZ 3.87Å; F245-F292 HydrophobicContact CE2-CZ 3.87Å; F245-F292 HydrophobicContact CZ-CE1 4.17Å; F245-F292 HydrophobicContact CZ-CZ 4.14Å; L248-F292 HydrophobicContact CD1-CD1 4.05Å; L248-F292 HydrophobicContact CD1-CE1 3.94Å; M277-F292 HydrophobicContact CE-CB 4.3Å; M277-F292 HydrophobicContact SD-CB 4.25Å; L284-F292 HydrophobicContact CD1-CD2 3.78Å; L284-F292 HydrophobicContact CD1-CE2 4.38Å; Q290-F292 PolarHBondContact O-N 3.41Å; F292-E295 VanDerWaalsContact CA-OE2 3.26Å; F292-E295 WeakPolarHBondContact CA-OE2 3.5Å; F292-E295 HydrophobicContact CB-CB 4.4Å; F292-E295 HydrophobicContact CD1-CG 4.48Å; F292-E295 PolarHBondContact O-N 3.01Å; F292-S296 WeakPolarHBondContact O-CB 3.37Å; F292-S296 PolarHBondContact O-N 2.97Å |
| 293 | H | 97 | Very high | 97 | Very high | 76 Ų | 76 | 66 Ų | 66 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 179.3 | -176.2 | 70.6 | 0 | 0 | 0 | 111.8 | Q290 L291 E295 S296 E297 | Q290-H293 WeakPolarHBondContact O-CB 3.39Å; Q290-H293 PolarHBondContact O-N 3.37Å; L291-H293 PolarHBondContact O-N 2.89Å; L291-H293 VanDerWaalsContact O-N 3.17Å; H293-E295 VanDerWaalsContact C-N 3.35Å; H293-E295 PolarHBondContact O-N 3.39Å; H293-S296 WeakPolarHBondContact O-CB 3.44Å; H293-S296 PolarHBondContact O-N 2.92Å; H293-E297 IonicContact NE2-OE1 3.11Å; H293-E297 PolarHBondContact O-N 2.94Å |
| 294 | N | 97 | Very high | 97.1 | Very high | 111 Ų | 111 | 65.9 Ų | 65.9 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 177.6 | -67.7 | -17.2 | 0 | 0 | 0 | 111.7 | S296 E297 I298 | N294-S296 VanDerWaalsContact C-N 3.33Å; N294-S296 PolarHBondContact O-N 2.94Å; N294-E297 PolarHBondContact O-N 2.99Å; N294-I298 VanDerWaalsContact O-CG1 3.29Å; N294-I298 WeakPolarHBondContact O-CG1 3.24Å; N294-I298 PolarHBondContact O-N 3.33Å |
| 295 | E | 98.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 177.1 | -70.2 | 74.5 | -173.8 | 0 | 0 | 111.4 | L248 M277 F292 H293 I298 I299 | L248-E295 HydrophobicContact CD2-CB 4.06Å; L248-E295 HydrophobicContact CD2-CG 3.9Å; M277-E295 HydrophobicContact CE-CB 3.96Å; F292-E295 VanDerWaalsContact CA-OE2 3.26Å; F292-E295 WeakPolarHBondContact CA-OE2 3.5Å; F292-E295 HydrophobicContact CB-CB 4.4Å; F292-E295 HydrophobicContact CD1-CG 4.48Å; F292-E295 PolarHBondContact O-N 3.01Å; H293-E295 VanDerWaalsContact C-N 3.35Å; H293-E295 PolarHBondContact O-N 3.39Å; E295-I298 PolarHBondContact O-N 3.21Å; E295-I299 VanDerWaalsContact O-CG1 3.27Å; E295-I299 WeakPolarHBondContact O-CG1 3.46Å; E295-I299 PolarHBondContact O-N 3.49Å |
| 296 | S | 98.5 | Very high | 97.3 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.1 | -170 | 0 | 0 | 0 | 0 | 111.5 | F292 H293 N294 I299 H300 | F292-S296 WeakPolarHBondContact O-CB 3.37Å; F292-S296 PolarHBondContact O-N 2.97Å; H293-S296 WeakPolarHBondContact O-CB 3.44Å; H293-S296 PolarHBondContact O-N 2.92Å; N294-S296 VanDerWaalsContact C-N 3.33Å; N294-S296 PolarHBondContact O-N 2.94Å; S296-I299 PolarHBondContact O-N 3.3Å; S296-H300 WeakPolarHBondContact O-CB 3.35Å; S296-H300 PolarHBondContact O-N 2.79Å |
| 297 | E | 98.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 65.4 Ų | 65.4 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.7 | -70.9 | -161.7 | 171.6 | 0 | 0 | 112.8 | H293 N294 I299 H300 K301 | H293-E297 IonicContact NE2-OE1 3.11Å; H293-E297 PolarHBondContact O-N 2.94Å; N294-E297 PolarHBondContact O-N 2.99Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-H300 PolarHBondContact O-N 3.05Å; E297-K301 VanDerWaalsContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CD 3.39Å; E297-K301 VanDerWaalsContact O-CG 3.24Å; E297-K301 WeakPolarHBondContact O-CG 3.11Å; E297-K301 PolarHBondContact O-N 3.23Å; E297-K301 IonicContact OE2-NZ 2.74Å; E297-K301 PolarHBondContact OE2-NZ 3.23Å |
| 298 | I | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 43% | 0.431 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 178.7 | -72.5 | 165.8 | 0 | 0 | 0 | 109.9 | Y251 N294 E295 A302 | Y251-I298 HydrophobicContact CE1-CG2 4.28Å; Y251-I298 HydrophobicContact CE2-CG2 3.93Å; Y251-I298 VanDerWaalsContact OH-CG2 3.3Å; Y251-I298 WeakPolarHBondContact OH-CG2 3.44Å; N294-I298 VanDerWaalsContact O-CG1 3.29Å; N294-I298 WeakPolarHBondContact O-CG1 3.24Å; N294-I298 PolarHBondContact O-N 3.33Å; E295-I298 PolarHBondContact O-N 3.21Å; I298-A302 WeakPolarHBondContact O-CB 3.42Å; I298-A302 PolarHBondContact O-N 3Å |
| 299 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 178.4 | -70.5 | 169.5 | 0 | 0 | 0 | 110.4 | A247 Y251 A273 D274 M277 E295 S296 E297 K301 A302 Y303 | A247-I299 HydrophobicContact CB-CD1 4.25Å; Y251-I299 HydrophobicContact CD2-CG1 3.73Å; Y251-I299 HydrophobicContact CE2-CG1 4.47Å; Y251-I299 HydrophobicContact CG-CD1 4.33Å; Y251-I299 HydrophobicContact CG-CG1 3.75Å; A273-I299 HydrophobicContact CB-CD1 4.41Å; A273-I299 HydrophobicContact CB-CG2 3.68Å; D274-I299 HydrophobicContact CB-CG2 4.24Å; M277-I299 HydrophobicContact CE-CD1 3.67Å; M277-I299 HydrophobicContact CG-CD1 3.83Å; E295-I299 VanDerWaalsContact O-CG1 3.27Å; E295-I299 WeakPolarHBondContact O-CG1 3.46Å; E295-I299 PolarHBondContact O-N 3.49Å; S296-I299 PolarHBondContact O-N 3.3Å; E297-I299 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 2.98Å; I299-A302 PolarHBondContact O-N 3.25Å; I299-Y303 PolarHBondContact O-N 3.32Å |
| 300 | H | 98.7 | Very high | 97.9 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | -179.3 | -168.9 | 68.2 | 0 | 0 | 0 | 112.2 | D274 S296 E297 A302 Y303 L304 | D274-H300 WeakPolarHBondContact OD1-CA 3.49Å; D274-H300 VanDerWaalsContact OD1-CB 3.31Å; D274-H300 WeakPolarHBondContact OD1-CB 3.09Å; D274-H300 IonicContact OD1-CG 2.63Å; D274-H300 IonicContact OD1-ND1 2.74Å; D274-H300 PolarHBondContact OD1-ND1 3.49Å; D274-H300 IonicContact OD2-CE1 3.16Å; D274-H300 IonicContact OD2-ND1 3.56Å; D274-H300 PolarHBondContact OD2-ND1 3.32Å; D274-H300 VanDerWaalsContact OD2-ND1 3.11Å; S296-H300 WeakPolarHBondContact O-CB 3.35Å; S296-H300 PolarHBondContact O-N 2.79Å; E297-H300 PolarHBondContact O-N 3.05Å; H300-A302 PolarHBondContact O-N 2.97Å; H300-Y303 PolarHBondContact O-N 3.07Å; H300-L304 WeakPolarHBondContact O-CG 3.48Å; H300-L304 PolarHBondContact O-N 3.17Å |
| 301 | K | 98.6 | Very high | 98 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -74 | 166.1 | -178.5 | 158.8 | 0 | 111.5 | E297 I299 A305 | E297-K301 VanDerWaalsContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CD 3.39Å; E297-K301 VanDerWaalsContact O-CG 3.24Å; E297-K301 WeakPolarHBondContact O-CG 3.11Å; E297-K301 PolarHBondContact O-N 3.23Å; E297-K301 IonicContact OE2-NZ 2.74Å; E297-K301 PolarHBondContact OE2-NZ 3.23Å; I299-K301 PolarHBondContact O-N 2.98Å; K301-A305 WeakPolarHBondContact O-CB 3.27Å; K301-A305 PolarHBondContact O-N 3.13Å |
| 302 | A | 98.4 | Very high | 98 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y251 L270 I298 I299 H300 A305 A306 | Y251-A302 HydrophobicContact CE2-CB 4.19Å; L270-A302 HydrophobicContact CD1-CB 4.27Å; L270-A302 HydrophobicContact CD2-CB 3.93Å; I298-A302 WeakPolarHBondContact O-CB 3.42Å; I298-A302 PolarHBondContact O-N 3Å; I299-A302 PolarHBondContact O-N 3.25Å; H300-A302 PolarHBondContact O-N 2.97Å; A302-A305 PolarHBondContact O-N 3.44Å; A302-A306 WeakPolarHBondContact O-CB 3.49Å; A302-A306 PolarHBondContact O-N 2.95Å |
| 303 | Y | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -50.8 | 176.1 | 172.8 | -118.6 | 0 | 0 | 0 | 111.9 | L267 L270 Q271 I299 H300 A305 A306 K307 | L267-Y303 HydrophobicContact CD2-CD2 4.09Å; L267-Y303 HydrophobicContact CD2-CE2 4.03Å; L270-Y303 HydrophobicContact CB-CD2 4.07Å; Q271-Y303 HydrophobicContact CB-CD2 4.13Å; Q271-Y303 HydrophobicContact CB-CE2 3.66Å; Q271-Y303 HydrophobicContact CG-CE2 4.16Å; I299-Y303 PolarHBondContact O-N 3.32Å; H300-Y303 PolarHBondContact O-N 3.07Å; Y303-A305 VanDerWaalsContact C-N 3.3Å; Y303-A305 PolarHBondContact O-N 3.35Å; Y303-A306 PolarHBondContact O-N 3.22Å; Y303-K307 HydrophobicContact CE1-CD 4.32Å; Y303-K307 VanDerWaalsContact O-CB 3.24Å; Y303-K307 WeakPolarHBondContact O-CB 3.47Å; Y303-K307 PolarHBondContact O-N 3.46Å |
| 304 | L | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 179.4 | -68 | -177.2 | 0 | 0 | 0 | 112.5 | H300 K308 | H300-L304 WeakPolarHBondContact O-CG 3.48Å; H300-L304 PolarHBondContact O-N 3.17Å; L304-K308 WeakPolarHBondContact O-CB 3.48Å; L304-K308 PolarHBondContact O-N 3.31Å |
| 305 | A | 98.2 | Very high | 97.8 | Very high | 45 Ų | 45 | 73.1 Ų | 73.1 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -51.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K301 A302 Y303 K307 K308 D309 | K301-A305 WeakPolarHBondContact O-CB 3.27Å; K301-A305 PolarHBondContact O-N 3.13Å; A302-A305 PolarHBondContact O-N 3.44Å; Y303-A305 VanDerWaalsContact C-N 3.3Å; Y303-A305 PolarHBondContact O-N 3.35Å; A305-K307 VanDerWaalsContact C-N 3.26Å; A305-K307 PolarHBondContact O-N 2.88Å; A305-K308 PolarHBondContact O-N 2.58Å; A305-D309 PolarHBondContact O-N 2.73Å |
| 306 | A | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 75 Ų | 75 | 3% | 0.025 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E266 L267 L270 A302 Y303 D309 N310 | E266-A306 HydrophobicContact CG-CB 4.33Å; L267-A306 HydrophobicContact CD2-CB 3.79Å; L267-A306 HydrophobicContact CG-CB 4.2Å; L270-A306 HydrophobicContact CD1-CB 3.85Å; A302-A306 WeakPolarHBondContact O-CB 3.49Å; A302-A306 PolarHBondContact O-N 2.95Å; Y303-A306 PolarHBondContact O-N 3.22Å; A306-D309 PolarHBondContact O-N 3.24Å; A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 3.19Å |
| 307 | K | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 82.6 Ų | 82.6 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 179.5 | -178.4 | 176.4 | -177 | 172.5 | 0 | 110.8 | L267 Y303 A305 D309 N310 D311 | L267-K307 HydrophobicContact CD2-CB 3.98Å; Y303-K307 HydrophobicContact CE1-CD 4.32Å; Y303-K307 VanDerWaalsContact O-CB 3.24Å; Y303-K307 WeakPolarHBondContact O-CB 3.47Å; Y303-K307 PolarHBondContact O-N 3.46Å; A305-K307 VanDerWaalsContact C-N 3.26Å; A305-K307 PolarHBondContact O-N 2.88Å; K307-D309 PolarHBondContact O-N 3.33Å; K307-N310 PolarHBondContact O-N 2.83Å; K307-D311 WeakPolarHBondContact O-CB 3.31Å; K307-D311 PolarHBondContact O-N 3.31Å |
| 308 | K | 98.1 | Very high | 97.5 | Very high | 130 Ų | 130 | 81.8 Ų | 81.8 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.4 | -50.9 | 173.6 | -176.2 | -177.9 | 178.3 | -176 | 0 | 110.6 | L304 A305 N310 D311 F312 | L304-K308 WeakPolarHBondContact O-CB 3.48Å; L304-K308 PolarHBondContact O-N 3.31Å; A305-K308 PolarHBondContact O-N 2.58Å; K308-N310 VanDerWaalsContact C-N 3.26Å; K308-N310 PolarHBondContact O-N 2.95Å; K308-D311 PolarHBondContact O-N 3.31Å; K308-F312 HydrophobicContact CG-CD2 3.63Å; K308-F312 HydrophobicContact CG-CE2 3.82Å; K308-F312 WeakPolarHBondContact O-CD2 3.48Å; K308-F312 PolarHBondContact O-N 2.99Å |
| 309 | D | 97.2 | Very high | 97.4 | Very high | 64 Ų | 64 | 80 Ų | 80 | 34% | 0.342 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | -179.8 | -69.2 | -14 | 0 | 0 | 0 | 111.8 | A305 A306 K307 I313 Y314 | A305-D309 PolarHBondContact O-N 2.73Å; A306-D309 PolarHBondContact O-N 3.24Å; K307-D309 PolarHBondContact O-N 3.33Å; D309-I313 WeakPolarHBondContact O-CA 3.29Å; D309-I313 WeakPolarHBondContact O-CB 3.48Å; D309-I313 PolarHBondContact O-N 2.9Å; D309-Y314 HydrophobicContact CB-CD2 4.22Å; D309-Y314 HydrophobicContact CB-CE2 3.97Å; D309-Y314 PolarHBondContact O-N 3.5Å |
| 310 | N | 97.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 83.3 Ų | 83.3 | 4% | 0.043 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -68.1 | -42.1 | 175.1 | -166.8 | 60.7 | 0 | 0 | 0 | 113 | V263 L267 A306 K307 K308 F312 H315 E316 | V263-N310 HydrophobicContact CG1-CB 3.95Å; V263-N310 WeakPolarHBondContact CG1-OD1 3.33Å; L267-N310 HydrophobicContact CD1-CB 3.43Å; L267-N310 VanDerWaalsContact CD1-CB 3.43Å; A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 3.19Å; K307-N310 PolarHBondContact O-N 2.83Å; K308-N310 VanDerWaalsContact C-N 3.26Å; K308-N310 PolarHBondContact O-N 2.95Å; N310-F312 VanDerWaalsContact C-N 3.27Å; N310-F312 PolarHBondContact O-N 3.48Å; N310-H315 WeakPolarHBondContact O-CA 3.38Å; N310-H315 PolarHBondContact O-N 2.88Å; N310-H315 PolarHBondContact OD1-N 3.46Å; N310-E316 PolarHBondContact ND2-O 2.77Å; N310-E316 WeakPolarHBondContact OD1-CA 3.48Å; N310-E316 WeakPolarHBondContact OD1-CB 3.34Å; N310-E316 PolarHBondContact OD1-N 3.26Å |
| 311 | D | 97.2 | Very high | 97.3 | Very high | 87 Ų | 87 | 81.8 Ų | 81.8 | 47% | 0.465 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -67.4 | -26.4 | -179.7 | -68.6 | -15.1 | 0 | 0 | 0 | 112.6 | K307 K308 H315 | K307-D311 WeakPolarHBondContact O-CB 3.31Å; K307-D311 PolarHBondContact O-N 3.31Å; K308-D311 PolarHBondContact O-N 3.31Å; D311-H315 PolarHBondContact O-NE2 3.27Å |
| 312 | F | 97 | Very high | 97.1 | Very high | 155 Ų | 155 | 85 Ų | 85 | 68% | 0.68 | 42% | 0.417 | S | S | * | . | I | π-helix | trans | -108.8 | -22.8 | -176.9 | -70.1 | -74.5 | 0 | 0 | 0 | 114.8 | K308 N310 | K308-F312 HydrophobicContact CG-CD2 3.63Å; K308-F312 HydrophobicContact CG-CE2 3.82Å; K308-F312 WeakPolarHBondContact O-CD2 3.48Å; K308-F312 PolarHBondContact O-N 2.99Å; N310-F312 VanDerWaalsContact C-N 3.27Å; N310-F312 PolarHBondContact O-N 3.48Å |
| 313 | I | 95.9 | Very high | 97 | Very high | 106 Ų | 106 | 87.8 Ų | 87.8 | 54% | 0.544 | 44% | 0.435 | S | S | . | . | I | π-helix | trans | -122.8 | -62.8 | -171.1 | -51.1 | 175.4 | 0 | 0 | 0 | 110.7 | D309 H315 | D309-I313 WeakPolarHBondContact O-CA 3.29Å; D309-I313 WeakPolarHBondContact O-CB 3.48Å; D309-I313 PolarHBondContact O-N 2.9Å; I313-H315 PolarHBondContact O-ND1 3.31Å |
| 314 | Y | 95.5 | Very high | 96.9 | Very high | 122 Ų | 122 | 87.1 Ų | 87.1 | 48% | 0.478 | 43% | 0.434 | S | S | . | . | I | π-helix | trans | -87.8 | -35.9 | -164 | -57 | -72.1 | 0 | 0 | 0 | 114.8 | V263 D309 E316 | V263-Y314 HydrophobicContact CB-CD2 4.45Å; V263-Y314 HydrophobicContact CB-CG 4.46Å; V263-Y314 HydrophobicContact CG1-CD2 3.99Å; V263-Y314 HydrophobicContact CG1-CG 4.33Å; V263-Y314 HydrophobicContact CG2-CD1 4.12Å; V263-Y314 HydrophobicContact CG2-CD2 3.74Å; V263-Y314 HydrophobicContact CG2-CE1 4.37Å; V263-Y314 HydrophobicContact CG2-CE2 4Å; V263-Y314 HydrophobicContact CG2-CG 3.8Å; D309-Y314 HydrophobicContact CB-CD2 4.22Å; D309-Y314 HydrophobicContact CB-CE2 3.97Å; D309-Y314 PolarHBondContact O-N 3.5Å; Y314-E316 PolarHBondContact O-N 2.93Å |
| 315 | H | 95.6 | Very high | 96.8 | Very high | 137 Ų | 137 | 86.6 Ų | 86.6 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | trans | 52.8 | 30.5 | -177.2 | -55.1 | 81.5 | 0 | 0 | 0 | 114 | N310 D311 I313 | N310-H315 WeakPolarHBondContact O-CA 3.38Å; N310-H315 PolarHBondContact O-N 2.88Å; N310-H315 PolarHBondContact OD1-N 3.46Å; D311-H315 PolarHBondContact O-NE2 3.27Å; I313-H315 PolarHBondContact O-ND1 3.31Å | ||
| 316 | E | 95.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 90.5 Ų | 90.5 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 145.2 | 177.3 | -74.8 | -65.7 | 164.4 | 0 | 0 | 111 | V263 N310 Y314 I318 | V263-E316 HydrophobicContact CB-CB 4.37Å; V263-E316 HydrophobicContact CB-CG 4.14Å; N310-E316 PolarHBondContact ND2-O 2.77Å; N310-E316 WeakPolarHBondContact OD1-CA 3.48Å; N310-E316 WeakPolarHBondContact OD1-CB 3.34Å; N310-E316 PolarHBondContact OD1-N 3.26Å; Y314-E316 PolarHBondContact O-N 2.93Å; E316-I318 PolarHBondContact O-N 3.43Å |
| 317 | K | 95.7 | Very high | 96.8 | Very high | 183 Ų | 183 | 91.3 Ų | 91.3 | 80% | 0.796 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 124.1 | 173 | -177.5 | -179.8 | 178.6 | -179.3 | 0 | 109 | P319 | K317-P319 VanDerWaalsContact O-CD 3.26Å; K317-P319 WeakPolarHBondContact O-CD 3.34Å |
| 318 | I | 97.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 90 Ų | 90 | 32% | 0.323 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 116.1 | 176.4 | -51.9 | 172.7 | 0 | 0 | 0 | 109 | L267 A268 E316 | L267-I318 HydrophobicContact CB-CD1 4.2Å; L267-I318 HydrophobicContact CB-CG1 4.06Å; L267-I318 HydrophobicContact CB-CG2 4.17Å; L267-I318 HydrophobicContact CD1-CD1 4Å; L267-I318 HydrophobicContact CD1-CG1 3.98Å; A268-I318 HydrophobicContact CB-CG2 3.97Å; E316-I318 PolarHBondContact O-N 3.43Å |
| 319 | P | 97.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 89.3 Ų | 89.3 | 29% | 0.292 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 161.8 | 175.8 | 30.6 | -33.8 | 0 | 0 | 0 | 111.2 | G264 A268 K317 V324 | G264-P319 VanDerWaalsContact C-CD 3.48Å; G264-P319 VanDerWaalsContact O-CD 3.23Å; G264-P319 WeakPolarHBondContact O-CD 3.34Å; A268-P319 HydrophobicContact CB-CG 3.88Å; A268-P319 WeakPolarHBondContact CB-O 3.14Å; K317-P319 VanDerWaalsContact O-CD 3.26Å; K317-P319 WeakPolarHBondContact O-CD 3.34Å; P319-V324 HydrophobicContact CB-CG1 4.42Å; P319-V324 HydrophobicContact CG-CG1 3.85Å |
| 320 | S | 96.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 88 Ų | 88 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 144.4 | 168.9 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | K322 S323 V324 | S320-K322 PolarHBondContact O-N 3.11Å; S320-K322 VanDerWaalsContact O-N 3.09Å; S320-K322 PolarHBondContact OG-N 3.17Å; S320-S323 PolarHBondContact N-OG 3.41Å; S320-S323 PolarHBondContact O-N 3.06Å; S320-S323 PolarHBondContact O-OG 3.32Å; S320-V324 PolarHBondContact O-N 3.13Å |
| 321 | I | 97.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 91.7 Ų | 91.7 | 23% | 0.231 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -57.8 | -26.8 | 173.8 | -167.4 | 72.7 | 0 | 0 | 0 | 112.9 | R269 Y272 S323 V324 | R269-I321 HydrophobicContact CG-CD1 4.35Å; Y272-I321 HydrophobicContact CD1-CB 4.44Å; Y272-I321 HydrophobicContact CD1-CD1 3.66Å; Y272-I321 HydrophobicContact CD1-CG1 3.41Å; Y272-I321 VanDerWaalsContact CD1-CG1 3.41Å; Y272-I321 HydrophobicContact CD2-CG1 4.48Å; Y272-I321 HydrophobicContact CD2-CG2 4.41Å; Y272-I321 HydrophobicContact CE1-CG1 3.96Å; Y272-I321 HydrophobicContact CG-CB 4.29Å; Y272-I321 HydrophobicContact CG-CD1 3.97Å; Y272-I321 HydrophobicContact CG-CG1 3.7Å; Y272-I321 HydrophobicContact CG-CG2 4.41Å; I321-S323 PolarHBondContact O-N 2.97Å; I321-V324 HydrophobicContact CD1-CG2 3.67Å; I321-V324 HydrophobicContact CG1-CG2 4.29Å; I321-V324 VanDerWaalsContact O-CG2 3.25Å; I321-V324 WeakPolarHBondContact O-CG2 3.47Å; I321-V324 PolarHBondContact O-N 3.06Å |
| 322 | K | 95.7 | Very high | 97 | Very high | 194 Ų | 194 | 90.7 Ų | 90.7 | 84% | 0.843 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -72.2 | -18.1 | 176.1 | -64.1 | -177.9 | -178.7 | 177.3 | 0 | 113.3 | S320 | S320-K322 PolarHBondContact O-N 3.11Å; S320-K322 VanDerWaalsContact O-N 3.09Å; S320-K322 PolarHBondContact OG-N 3.17Å |
| 323 | S | 96.4 | Very high | 97 | Very high | 83 Ų | 83 | 83.4 Ų | 83.4 | 58% | 0.58 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -96.2 | -10.2 | 177.9 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | S320 I321 | S320-S323 PolarHBondContact N-OG 3.41Å; S320-S323 PolarHBondContact O-N 3.06Å; S320-S323 PolarHBondContact O-OG 3.32Å; I321-S323 PolarHBondContact O-N 2.97Å |
| 324 | V | 96.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 85.4 Ų | 85.4 | 9% | 0.085 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -82.1 | 150.1 | 173.7 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | E265 A268 R269 P319 S320 I321 | E265-V324 HydrophobicContact CG-CB 4.3Å; E265-V324 HydrophobicContact CG-CG1 4.12Å; A268-V324 HydrophobicContact CB-CG1 4.01Å; R269-V324 HydrophobicContact CG-CG2 4.42Å; P319-V324 HydrophobicContact CB-CG1 4.42Å; P319-V324 HydrophobicContact CG-CG1 3.85Å; S320-V324 PolarHBondContact O-N 3.13Å; I321-V324 HydrophobicContact CD1-CG2 3.67Å; I321-V324 HydrophobicContact CG1-CG2 4.29Å; I321-V324 VanDerWaalsContact O-CG2 3.25Å; I321-V324 WeakPolarHBondContact O-CG2 3.47Å; I321-V324 PolarHBondContact O-N 3.06Å |
| 325 | P | 96.2 | Very high | 97.2 | Very high | 75 Ų | 75 | 82.6 Ų | 82.6 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 138.6 | 180 | -26.9 | 35.2 | 0 | 0 | 0 | 112.7 | E265 R269 | E265-P325 WeakPolarHBondContact OE2-CD 3.49Å; R269-P325 PolarHBondContact NH1-O 2.99Å; R269-P325 PolarHBondContact NH2-O 2.87Å |
| 326 | P | 97.3 | Very high | 97.2 | Very high | 128 Ų | 128 | 79.3 Ų | 79.3 | 83% | 0.831 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 149.8 | 176.5 | 28.9 | -34.8 | 0 | 0 | 0 | 111.3 | A328 | P326-A328 PolarHBondContact O-N 3.35Š|
| 327 | I | 98.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 79.9 Ų | 79.9 | 10% | 0.097 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 118.7 | 177.9 | -52.4 | 176.7 | 0 | 0 | 0 | 108.5 | A204 S208 A249 Q250 Q253 | A204-I327 HydrophobicContact CB-CG2 4.06Å; S208-I327 PolarHBondContact OG-O 3.17Å; A249-I327 VanDerWaalsContact C-CD1 3.41Å; A249-I327 HydrophobicContact CB-CD1 3.85Å; A249-I327 VanDerWaalsContact O-CD1 3.3Å; A249-I327 WeakPolarHBondContact O-CD1 3.49Å; Q250-I327 HydrophobicContact CG-CD1 4.31Å; Q253-I327 HydrophobicContact CB-CD1 3.75Å; Q253-I327 HydrophobicContact CB-CG1 4.12Å; Q253-I327 HydrophobicContact CG-CD1 4.23Å; Q253-I327 HydrophobicContact CG-CG1 4.05Å |
| 328 | A | 98.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 73 Ų | 73 | 44% | 0.438 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 160.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R205 P326 | R205-A328 VanDerWaalsContact CA-O 3.22Å; R205-A328 WeakPolarHBondContact CA-O 3.48Å; R205-A328 WeakPolarHBondContact CB-O 3.43Å; R205-A328 HydrophobicContact CG-CB 4.09Å; R205-A328 VanDerWaalsContact CG-O 3.27Å; R205-A328 WeakPolarHBondContact CG-O 3.48Å; P326-A328 PolarHBondContact O-N 3.35Å |
| 329 | K | 98.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 73.5 Ų | 73.5 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | trans | -110.1 | 147.6 | -179.6 | -66.3 | 179.8 | -175.5 | 178.9 | 0 | 110.8 | S208 E209 S212 | S208-K329 WeakPolarHBondContact OG-CG 3.22Å; E209-K329 HydrophobicContact CB-CB 4.14Å; E209-K329 WeakPolarHBondContact OE2-CB 3.21Å; E209-K329 VanDerWaalsContact OE2-CD 3.32Å; E209-K329 WeakPolarHBondContact OE2-CD 3.25Å; S212-K329 PolarHBondContact OG-NZ 3.17Å | ||
| 330 | T | 98.5 | Very high | 96 | Very high | 36 Ų | 36 | 77.5 Ų | 77.5 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | trans | -131.8 | 108.5 | 173.8 | -63.9 | 0 | 0 | 0 | 0 | 110 | Q186 L202 R205 I206 E209 L332 | Q186-T330 PolarHBondContact NE2-O 3.39Å; L202-T330 HydrophobicContact CD1-CG2 4.41Å; R205-T330 WeakPolarHBondContact CB-OG1 3.29Å; R205-T330 PolarHBondContact O-N 2.88Å; I206-T330 HydrophobicContact CG1-CG2 4.39Å; E209-T330 WeakPolarHBondContact CB-O 3.4Å; T330-L332 HydrophobicContact CG2-CD2 4.27Å; T330-L332 HydrophobicContact CG2-CG 4.3Å | ||
| 331 | V | 98.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 53% | 0.527 | 45% | 0.452 | S | S | . | . | trans | -81.5 | 120.9 | 178 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | E209 M213 A333 | E209-V331 HydrophobicContact CG-CB 4.39Å; E209-V331 HydrophobicContact CG-CG2 3.89Å; M213-V331 HydrophobicContact CE-CG1 3.85Å; V331-A333 WeakPolarHBondContact CG1-O 3.37Å | ||
| 332 | L | 98.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 77.8 Ų | 77.8 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | trans | -116.2 | -39.2 | 174.8 | -65.4 | 174.1 | 0 | 0 | 0 | 111 | F189 I206 T330 | F189-L332 HydrophobicContact CB-CB 4.17Å; F189-L332 HydrophobicContact CB-CD1 3.77Å; F189-L332 HydrophobicContact CD1-CB 4.11Å; F189-L332 HydrophobicContact CD1-CD1 4.05Å; F189-L332 HydrophobicContact CD2-CB 3.52Å; F189-L332 HydrophobicContact CE1-CB 4.36Å; F189-L332 HydrophobicContact CE2-CB 3.81Å; F189-L332 HydrophobicContact CG-CB 3.68Å; F189-L332 HydrophobicContact CG-CD1 3.92Å; F189-L332 HydrophobicContact CG-CG 4.47Å; F189-L332 HydrophobicContact CZ-CB 4.22Å; I206-L332 HydrophobicContact CD1-CD1 3.69Å; I206-L332 HydrophobicContact CG1-CD1 3.84Å; I206-L332 HydrophobicContact CG2-CD1 4.24Å; T330-L332 HydrophobicContact CG2-CD2 4.27Å; T330-L332 HydrophobicContact CG2-CG 4.3Å | ||
| 333 | A | 98.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.017 | 41% | 0.409 | C | S | . | . | trans | -73.5 | 127.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L182 A185 Q186 F189 M213 V331 | L182-A333 HydrophobicContact CD2-CB 4.24Å; L182-A333 WeakPolarHBondContact O-CB 3.5Å; A185-A333 HydrophobicContact CB-CB 3.64Å; Q186-A333 HydrophobicContact CB-CB 3.92Å; F189-A333 HydrophobicContact CD2-CB 4.37Å; F189-A333 HydrophobicContact CE2-CB 4.36Å; M213-A333 HydrophobicContact CE-CB 4.44Å; V331-A333 WeakPolarHBondContact CG1-O 3.37Å | ||
| 334 | K | 97.9 | Very high | 94.1 | Very high | 149 Ų | 149 | 70.2 Ų | 70.2 | 65% | 0.648 | 42% | 0.42 | S | S | * | . | trans | -145 | 154.2 | 178.2 | 59.4 | -175.4 | 176.4 | -177.8 | 0 | 111.3 | ||||
| 335 | T | 97.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 75.8 Ų | 75.8 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -77.7 | 150.3 | 165.3 | 53.4 | 0 | 0 | 0 | 0 | 110 | A147 S148 A151 L182 | A147-T335 HydrophobicContact CB-CG2 4.12Å; S148-T335 WeakPolarHBondContact OG-CA 3.35Å; A151-T335 HydrophobicContact CB-CG2 3.99Å; L182-T335 HydrophobicContact CD1-CG2 4.2Å; L182-T335 HydrophobicContact CD2-CG2 4.15Å; L182-T335 HydrophobicContact CG-CG2 4.42Å | ||
| 336 | S | 95.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | trans | -122.8 | 153 | 170.8 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | S148 | S148-S336 VanDerWaalsContact CB-O 3.31Å; S148-S336 WeakPolarHBondContact CB-O 3.38Å; S148-S336 PolarHBondContact OG-N 3.15Å; S148-S336 PolarHBondContact OG-O 3.27Å | ||
| 337 | P | 94.6 | Very high | 92 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 79% | 0.786 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 152 | 168.2 | -23.3 | 34 | 0 | 0 | 0 | 111.5 | ||
| 338 | L | 90.5 | Very high | 91 | Very high | 37 Ų | 37 | 76.6 Ų | 76.6 | 19% | 0.194 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 136 | 171.8 | -90 | 59.7 | 0 | 0 | 0 | 109.3 | L114 L149 Y152 M342 | L114-L338 HydrophobicContact CD1-CD2 4.17Å; L149-L338 HydrophobicContact CD2-CD1 3.96Å; L149-L338 HydrophobicContact CD2-CD2 3.9Å; L149-L338 HydrophobicContact CD2-CG 3.88Å; Y152-L338 HydrophobicContact CD1-CD1 4.33Å; Y152-L338 HydrophobicContact CD1-CD2 3.57Å; Y152-L338 HydrophobicContact CD2-CD1 3.94Å; Y152-L338 HydrophobicContact CD2-CD2 3.9Å; Y152-L338 HydrophobicContact CD2-CG 4.36Å; Y152-L338 HydrophobicContact CE1-CD2 3.85Å; Y152-L338 HydrophobicContact CE2-CD2 4.15Å; Y152-L338 HydrophobicContact CG-CD1 3.61Å; Y152-L338 HydrophobicContact CG-CD2 3.61Å; Y152-L338 HydrophobicContact CG-CG 4.2Å; L338-M342 HydrophobicContact CB-SD 4.38Å; L338-M342 HydrophobicContact CD2-SD 4.46Å; L338-M342 HydrophobicContact CG-CE 4.32Å; L338-M342 HydrophobicContact CG-SD 4.26Å |
| 339 | P | 89.7 | Confident | 89.7 | Confident | 75 Ų | 75 | 76 Ų | 76 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 157 | 170.2 | 30.1 | -34.8 | 0 | 0 | 0 | 110.3 | Q341 M342 | P339-Q341 WeakPolarHBondContact CB-O 3.33Å; P339-Q341 WeakPolarHBondContact CG-O 3.4Å; P339-Q341 PolarHBondContact O-N 3.21Å; P339-M342 VanDerWaalsContact CD-SD 3.6Å; P339-M342 HydrophobicContact CG-CE 4.4Å; P339-M342 HydrophobicContact CG-SD 3.57Å; P339-M342 VanDerWaalsContact CG-SD 3.57Å |
| 340 | S | 85.7 | Confident | 87.9 | Confident | 129 Ų | 129 | 77.2 Ų | 77.2 | 90% | 0.902 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -64 | -26.1 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 341 | Q | 90.3 | Very high | 87.4 | Confident | 92 Ų | 92 | 79.3 Ų | 79.3 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | trans | -134.7 | 128.9 | 175.1 | -179.9 | -179 | -48.3 | 0 | 0 | 108.3 | P339 S343 F346 | P339-Q341 WeakPolarHBondContact CB-O 3.33Å; P339-Q341 WeakPolarHBondContact CG-O 3.4Å; P339-Q341 PolarHBondContact O-N 3.21Å; Q341-S343 WeakPolarHBondContact CG-O 3.15Å; Q341-S343 PolarHBondContact NE2-O 2.99Å; Q341-F346 HydrophobicContact CG-CB 4.04Å; Q341-F346 HydrophobicContact CG-CD1 4.1Å; Q341-F346 HydrophobicContact CG-CG 4.37Å | ||
| 342 | M | 88.4 | Confident | 86.8 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 15% | 0.153 | 46% | 0.459 | C | S | . | . | trans | -88.3 | -39.2 | -173.6 | -55.6 | -63.4 | -67.7 | 0 | 0 | 112.6 | F61 Y64 D65 L149 L338 P339 | F61-M342 HydrophobicContact CB-CB 3.97Å; F61-M342 HydrophobicContact CD1-CB 3.27Å; F61-M342 HydrophobicContact CD1-CE 3.95Å; F61-M342 HydrophobicContact CD1-CG 3.96Å; F61-M342 HydrophobicContact CE1-CB 3.79Å; F61-M342 HydrophobicContact CE1-CE 3.23Å; F61-M342 HydrophobicContact CE1-CG 4.23Å; F61-M342 HydrophobicContact CG-CB 3.75Å; F61-M342 HydrophobicContact CZ-CE 3.92Å; Y64-M342 HydrophobicContact CD1-CB 4.47Å; Y64-M342 HydrophobicContact CD1-CG 3.57Å; Y64-M342 HydrophobicContact CE1-CG 3.7Å; D65-M342 WeakPolarHBondContact OD1-CB 3.31Å; D65-M342 WeakPolarHBondContact OD1-CG 3.36Å; D65-M342 PolarHBondContact OD1-N 2.91Å; D65-M342 PolarHBondContact OD2-N 3.24Å; D65-M342 VanDerWaalsContact OD2-N 3.16Å; L149-M342 HydrophobicContact CD2-CE 3.77Å; L338-M342 HydrophobicContact CB-SD 4.38Å; L338-M342 HydrophobicContact CD2-SD 4.46Å; L338-M342 HydrophobicContact CG-CE 4.32Å; L338-M342 HydrophobicContact CG-SD 4.26Å; P339-M342 VanDerWaalsContact CD-SD 3.6Å; P339-M342 HydrophobicContact CG-CE 4.4Å; P339-M342 HydrophobicContact CG-SD 3.57Å; P339-M342 VanDerWaalsContact CG-SD 3.57Å | ||
| 343 | S | 84.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.021 | 47% | 0.465 | C | S | . | . | trans | -98.1 | 130.7 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | L58 V62 D65 Q341 K345 F346 | L58-S343 VanDerWaalsContact CD1-OG 3.27Å; L58-S343 WeakPolarHBondContact CD1-OG 3.43Å; V62-S343 WeakPolarHBondContact CG2-OG 3.36Å; D65-S343 VanDerWaalsContact OD2-CB 3.29Å; D65-S343 WeakPolarHBondContact OD2-CB 3.39Å; D65-S343 PolarHBondContact OD2-N 2.86Å; Q341-S343 WeakPolarHBondContact CG-O 3.15Å; Q341-S343 PolarHBondContact NE2-O 2.99Å; S343-K345 PolarHBondContact O-N 3.31Å; S343-K345 PolarHBondContact OG-N 3.18Å; S343-F346 WeakPolarHBondContact O-CB 3.33Å; S343-F346 PolarHBondContact O-N 3.41Å; S343-F346 PolarHBondContact OG-N 3.07Å | ||
| 344 | S | 81.6 | Confident | 85.5 | Confident | 114 Ų | 114 | 84.2 Ų | 84.2 | 80% | 0.797 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.1 | 168.9 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 345 | K | 81.4 | Confident | 84.7 | Confident | 131 Ų | 131 | 80.2 Ų | 80.2 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8.6 | 177.1 | -60.1 | -157.1 | -170.3 | 176.2 | 0 | 113.2 | L58 V62 S343 H347 | L58-K345 HydrophobicContact CD1-CB 4.36Å; L58-K345 HydrophobicContact CD1-CG 4.25Å; L58-K345 HydrophobicContact CD2-CD 3.82Å; L58-K345 HydrophobicContact CD2-CG 4.25Å; V62-K345 HydrophobicContact CG2-CB 4.48Å; S343-K345 PolarHBondContact O-N 3.31Å; S343-K345 PolarHBondContact OG-N 3.18Å; K345-H347 PolarHBondContact O-N 3.24Å; K345-H347 PolarHBondContact O-ND1 2.52Å |
| 346 | F | 84 | Confident | 83.8 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 18% | 0.18 | 49% | 0.489 | C | S | . | . | trans | -64.1 | 122.5 | 178 | 176.7 | -112.1 | 0 | 0 | 0 | 110.4 | D65 Q66 A69 Q341 S343 | D65-F346 HydrophobicContact CB-CB 4.2Å; D65-F346 HydrophobicContact CB-CD1 4.26Å; D65-F346 HydrophobicContact CB-CD2 3.34Å; D65-F346 HydrophobicContact CB-CE2 3.7Å; D65-F346 HydrophobicContact CB-CG 3.66Å; D65-F346 HydrophobicContact CB-CZ 4.28Å; Q66-F346 HydrophobicContact CB-CE2 4.24Å; A69-F346 HydrophobicContact CB-CE2 4.48Å; A69-F346 HydrophobicContact CB-CZ 3.67Å; Q341-F346 HydrophobicContact CG-CB 4.04Å; Q341-F346 HydrophobicContact CG-CD1 4.1Å; Q341-F346 HydrophobicContact CG-CG 4.37Å; S343-F346 WeakPolarHBondContact O-CB 3.33Å; S343-F346 PolarHBondContact O-N 3.41Å; S343-F346 PolarHBondContact OG-N 3.07Å | ||
| 347 | H | 80.9 | Confident | 83 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | trans | -122.2 | 114.3 | 164.5 | -62.5 | 76.8 | 0 | 0 | 0 | 105 | K345 M349 | K345-H347 PolarHBondContact O-N 3.24Å; K345-H347 PolarHBondContact O-ND1 2.52Å; H347-M349 PolarHBondContact O-N 3.46Å | ||
| 348 | G | 77 | Confident | 82.1 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | trans | -61.8 | 130.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | S350 | G348-S350 PolarHBondContact O-N 3.09Š| ||
| 349 | M | 70.5 | Confident | 81.4 | Confident | 41 Ų | 41 | 82.9 Ų | 82.9 | 20% | 0.202 | 49% | 0.49 | C | S | . | . | trans | -64.2 | 118.2 | 165.8 | -63 | -175.4 | -61.9 | 0 | 0 | 108 | A32 E35 F36 Q66 L70 H347 | A32-M349 HydrophobicContact CB-SD 4.43Å; A32-M349 VanDerWaalsContact O-SD 3.33Å; E35-M349 HydrophobicContact CB-SD 4.1Å; E35-M349 HydrophobicContact CG-SD 3.97Å; F36-M349 HydrophobicContact CB-CE 3.4Å; F36-M349 HydrophobicContact CB-SD 4.33Å; F36-M349 HydrophobicContact CD2-CE 3.6Å; F36-M349 HydrophobicContact CG-CE 3.79Å; Q66-M349 HydrophobicContact CG-CE 3.38Å; L70-M349 HydrophobicContact CD1-CE 4.32Å; H347-M349 PolarHBondContact O-N 3.46Å | ||
| 350 | S | 62.2 | Low | 80.6 | Confident | 139 Ų | 139 | 83.6 Ų | 83.6 | 97% | 0.972 | 49% | 0.49 | S | S | * | . | trans | -66.6 | 0 | -174 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | K73 G348 | K73-S350 PolarHBondContact NZ-OXT 3.41Å; G348-S350 PolarHBondContact O-N 3.09Å |
Retrieved 350 of 350 residues in 335.9 ms
(Link to these results)