| 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 | 42.2 | Very low | 68 | Low | 193 Ų | 193 | 107.2 Ų | 107.2 | 95% | 0.951 | 54% | 0.543 | S | S | * | . | 0 | 55.5 | 0 | -81.1 | 171.7 | 48.7 | 0 | 0 | 106.6 | |||||
| 2 | D | 41.8 | Very low | 70.2 | Confident | 166 Ų | 166 | 98.3 Ų | 98.3 | 89% | 0.888 | 50% | 0.498 | S | S | * | . | trans | -114.6 | 4.1 | -159.8 | -68.2 | 11.2 | 0 | 0 | 0 | 113.4 | ||||
| 3 | E | 42.8 | Very low | 72 | Confident | 169 Ų | 169 | 95.7 Ų | 95.7 | 79% | 0.79 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -91.3 | 135.7 | 163.9 | -70.6 | 177.6 | 169.5 | 0 | 0 | 107.8 | Q5 | E3-Q5 PolarHBondContact O-N 2.79Å; E3-Q5 VanDerWaalsContact O-N 3.16Å |
| 4 | Q | 47.6 | Very low | 73.5 | Confident | 184 Ų | 184 | 99.1 Ų | 99.1 | 86% | 0.86 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -4.9 | 104.1 | 175.8 | -74.2 | 177.4 | -23.3 | 0 | 0 | 112.1 | V6 | Q4-V6 VanDerWaalsContact C-N 3.26Å; Q4-V6 VanDerWaalsContact O-CG2 3.3Å; Q4-V6 WeakPolarHBondContact O-CG2 3.35Å; Q4-V6 PolarHBondContact O-N 3.11Å |
| 5 | Q | 55.3 | Low | 74.7 | Confident | 184 Ų | 184 | 95.2 Ų | 95.2 | 86% | 0.86 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.4 | 86.1 | -171.5 | -85.9 | -175.9 | -22 | 0 | 0 | 112.4 | E3 S7 | E3-Q5 PolarHBondContact O-N 2.79Å; E3-Q5 VanDerWaalsContact O-N 3.16Å; Q5-S7 PolarHBondContact O-N 3.31Å |
| 6 | V | 69 | Low | 75.9 | Confident | 71 Ų | 71 | 93.3 Ų | 93.3 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | trans | -70 | 122.2 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 104.1 | Q4 V8 E10 V11 | Q4-V6 VanDerWaalsContact C-N 3.26Å; Q4-V6 VanDerWaalsContact O-CG2 3.3Å; Q4-V6 WeakPolarHBondContact O-CG2 3.35Å; Q4-V6 PolarHBondContact O-N 3.11Å; V6-V8 PolarHBondContact O-N 2.98Å; V6-E10 HydrophobicContact CG1-CB 3.84Å; V6-V11 HydrophobicContact CB-CG2 4.44Å; V6-V11 HydrophobicContact CG1-CG2 3.76Å | ||
| 7 | S | 86.9 | Confident | 77 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -60.2 | 142.6 | 179.2 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | Q5 L9 E10 V11 | Q5-S7 PolarHBondContact O-N 3.31Å; S7-L9 PolarHBondContact O-N 2.88Å; S7-L9 VanDerWaalsContact O-N 3.17Å; S7-E10 WeakPolarHBondContact O-CB 3.18Å; S7-E10 PolarHBondContact O-N 2.88Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 VanDerWaalsContact OG-CG 3.26Å; S7-E10 WeakPolarHBondContact OG-CG 3.49Å; S7-E10 PolarHBondContact OG-N 2.64Å; S7-E10 PolarHBondContact OG-OE1 3.28Å; S7-V11 PolarHBondContact O-N 2.87Å | ||
| 8 | V | 88.6 | Confident | 78.1 | Confident | 37 Ų | 37 | 84.2 Ų | 84.2 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55.1 | -38.4 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | V6 E10 V11 I12 E181 V188 | V6-V8 PolarHBondContact O-N 2.98Å; V8-E10 VanDerWaalsContact C-N 3.32Å; V8-E10 PolarHBondContact O-N 2.93Å; V8-V11 WeakPolarHBondContact O-CB 3.27Å; V8-V11 PolarHBondContact O-N 3.25Å; V8-V11 VanDerWaalsContact O-N 3.08Å; V8-I12 HydrophobicContact CG1-CG1 3.97Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.31Å; V8-E181 HydrophobicContact CB-CG 4.11Å; V8-E181 VanDerWaalsContact CB-OE1 3.28Å; V8-E181 WeakPolarHBondContact CB-OE1 2.98Å; V8-E181 HydrophobicContact CG1-CG 4.08Å; V8-E181 HydrophobicContact CG2-CG 4.06Å; V8-E181 WeakPolarHBondContact CG2-OE1 3.48Å; V8-V188 HydrophobicContact CG1-CG1 4.15Å; V8-V188 HydrophobicContact CG1-CG2 3.67Å |
| 9 | L | 90.4 | Very high | 79 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 177.4 | -168.3 | 61.9 | 0 | 0 | 0 | 113.1 | S7 I12 R13 V18 V179 | S7-L9 PolarHBondContact O-N 2.88Å; S7-L9 VanDerWaalsContact O-N 3.17Å; L9-I12 PolarHBondContact O-N 2.9Å; L9-R13 VanDerWaalsContact CD2-NH2 3.33Å; L9-R13 WeakPolarHBondContact O-CB 3.17Å; L9-R13 WeakPolarHBondContact O-CG 3.28Å; L9-R13 PolarHBondContact O-N 3.35Å; L9-V18 HydrophobicContact CD1-CG2 4.19Å; L9-V179 HydrophobicContact CD1-CG2 4.22Å |
| 10 | E | 91 | Very high | 79.7 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 172.7 | -79.6 | 160.2 | -126.7 | 0 | 0 | 112.5 | V6 S7 V8 R13 K14 | V6-E10 HydrophobicContact CG1-CB 3.84Å; S7-E10 WeakPolarHBondContact O-CB 3.18Å; S7-E10 PolarHBondContact O-N 2.88Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 VanDerWaalsContact OG-CG 3.26Å; S7-E10 WeakPolarHBondContact OG-CG 3.49Å; S7-E10 PolarHBondContact OG-N 2.64Å; S7-E10 PolarHBondContact OG-OE1 3.28Å; V8-E10 VanDerWaalsContact C-N 3.32Å; V8-E10 PolarHBondContact O-N 2.93Å; E10-R13 PolarHBondContact O-N 3.18Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.23Å |
| 11 | V | 91.9 | Very high | 80.5 | Confident | 20 Ų | 20 | 81 Ų | 81 | 12% | 0.121 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | V6 S7 V8 R13 K14 L15 W219 | V6-V11 HydrophobicContact CB-CG2 4.44Å; V6-V11 HydrophobicContact CG1-CG2 3.76Å; S7-V11 PolarHBondContact O-N 2.87Å; V8-V11 WeakPolarHBondContact O-CB 3.27Å; V8-V11 PolarHBondContact O-N 3.25Å; V8-V11 VanDerWaalsContact O-N 3.08Å; V11-R13 VanDerWaalsContact C-N 3.32Å; V11-R13 PolarHBondContact O-N 2.78Å; V11-K14 PolarHBondContact O-N 3.13Å; V11-K14 VanDerWaalsContact O-N 3.15Å; V11-L15 HydrophobicContact CG1-CD1 4.29Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.07Å; V11-W219 HydrophobicContact CG1-CH2 4.3Å; V11-W219 HydrophobicContact CG1-CZ2 3.99Å |
| 12 | I | 94.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 178.6 | -63.3 | -49.2 | 0 | 0 | 0 | 111.9 | V8 L9 L15 G16 I17 V18 V188 V190 I217 W219 | V8-I12 HydrophobicContact CG1-CG1 3.97Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.31Å; L9-I12 PolarHBondContact O-N 2.9Å; I12-L15 HydrophobicContact CD1-CD1 4.28Å; I12-L15 PolarHBondContact O-N 3.29Å; I12-G16 PolarHBondContact O-N 2.95Å; I12-I17 HydrophobicContact CG2-CB 3.76Å; I12-I17 HydrophobicContact CG2-CG2 3.88Å; I12-I17 PolarHBondContact O-N 2.86Å; I12-I17 VanDerWaalsContact O-N 3.17Å; I12-V18 HydrophobicContact CG2-CB 4.35Å; I12-V18 HydrophobicContact CG2-CG1 3.69Å; I12-V18 HydrophobicContact CG2-CG2 3.9Å; I12-V188 HydrophobicContact CD1-CG1 4.05Å; I12-V188 HydrophobicContact CG1-CG1 4.28Å; I12-V190 HydrophobicContact CD1-CG2 4.48Å; I12-V190 HydrophobicContact CG2-CG2 4.12Å; I12-I217 HydrophobicContact CD1-CD1 3.47Å; I12-I217 VanDerWaalsContact CD1-CD1 3.47Å; I12-W219 HydrophobicContact CD1-CH2 4.49Å |
| 13 | R | 93.8 | Very high | 85.7 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 171.7 | -79.1 | -179.2 | -171.1 | 124.2 | 2.7 | 112.4 | L9 E10 V11 L15 G16 V18 E24 | L9-R13 VanDerWaalsContact CD2-NH2 3.33Å; L9-R13 WeakPolarHBondContact O-CB 3.17Å; L9-R13 WeakPolarHBondContact O-CG 3.28Å; L9-R13 PolarHBondContact O-N 3.35Å; E10-R13 PolarHBondContact O-N 3.18Å; V11-R13 VanDerWaalsContact C-N 3.32Å; V11-R13 PolarHBondContact O-N 2.78Å; R13-L15 PolarHBondContact O-N 3.35Å; R13-G16 WeakPolarHBondContact O-CA 3.49Å; R13-G16 PolarHBondContact O-N 3.07Å; R13-V18 HydrophobicContact CB-CG2 4.38Å; R13-V18 HydrophobicContact CG-CG2 3.47Å; R13-V18 VanDerWaalsContact CG-CG2 3.47Å; R13-E24 IonicContact CZ-OE1 2.67Å; R13-E24 IonicContact CZ-OE2 3.39Å; R13-E24 IonicContact NH2-OE1 3.58Å; R13-E24 PolarHBondContact NH2-OE1 2.93Å; R13-E24 IonicContact NH2-OE2 3.09Å; R13-E24 PolarHBondContact NH2-OE2 3.16Å |
| 14 | K | 92.5 | Very high | 88.3 | Confident | 143 Ų | 143 | 60.4 Ų | 60.4 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.3 | -29.7 | 177.3 | -74.2 | 174.6 | -179 | 175.8 | 0 | 112.3 | E10 V11 G16 L416 | E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.23Å; V11-K14 PolarHBondContact O-N 3.13Å; V11-K14 VanDerWaalsContact O-N 3.15Å; K14-G16 PolarHBondContact O-N 3.37Å; K14-L416 HydrophobicContact CB-CD2 3.9Å; K14-L416 HydrophobicContact CD-CD2 4.47Å |
| 15 | L | 92.5 | Very high | 90.6 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.2 | 171.6 | -65.5 | 174.3 | 0 | 0 | 0 | 113.7 | V11 I12 R13 I17 L416 P418 | V11-L15 HydrophobicContact CG1-CD1 4.29Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.07Å; I12-L15 HydrophobicContact CD1-CD1 4.28Å; I12-L15 PolarHBondContact O-N 3.29Å; R13-L15 PolarHBondContact O-N 3.35Å; L15-I17 VanDerWaalsContact C-N 3.3Å; L15-I17 HydrophobicContact CB-CD1 3.83Å; L15-I17 HydrophobicContact CB-CG1 3.95Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; L15-I17 PolarHBondContact O-N 3.44Å; L15-L416 HydrophobicContact CD2-CD2 4.29Å; L15-L416 WeakPolarHBondContact CD2-O 3.33Å; L15-P418 HydrophobicContact CD1-CG 3.89Å |
| 16 | G | 93.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 66% | 0.66 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 21.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I12 R13 K14 | I12-G16 PolarHBondContact O-N 2.95Å; R13-G16 WeakPolarHBondContact O-CA 3.49Å; R13-G16 PolarHBondContact O-N 3.07Å; K14-G16 PolarHBondContact O-N 3.37Å |
| 17 | I | 95.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.3 | -32.5 | -173.3 | -65.4 | 175.6 | 0 | 0 | 0 | 112.3 | I12 L15 W177 V190 K215 I217 | I12-I17 HydrophobicContact CG2-CB 3.76Å; I12-I17 HydrophobicContact CG2-CG2 3.88Å; I12-I17 PolarHBondContact O-N 2.86Å; I12-I17 VanDerWaalsContact O-N 3.17Å; L15-I17 VanDerWaalsContact C-N 3.3Å; L15-I17 HydrophobicContact CB-CD1 3.83Å; L15-I17 HydrophobicContact CB-CG1 3.95Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; L15-I17 PolarHBondContact O-N 3.44Å; I17-W177 PolarHBondContact O-NE1 3Å; I17-V190 HydrophobicContact CG2-CB 4.09Å; I17-V190 HydrophobicContact CG2-CG1 3.89Å; I17-V190 HydrophobicContact CG2-CG2 4.18Å; I17-K215 HydrophobicContact CD1-CD 4.17Å; I17-K215 HydrophobicContact CG1-CD 4.11Å; I17-K215 HydrophobicContact CG2-CD 3.99Å; I17-I217 HydrophobicContact CD1-CD1 3.35Å; I17-I217 HydrophobicContact CD1-CG1 4.26Å |
| 18 | V | 96.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -122.6 | 146.2 | 176 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | L9 I12 R13 L170 W177 V179 V190 | L9-V18 HydrophobicContact CD1-CG2 4.19Å; I12-V18 HydrophobicContact CG2-CB 4.35Å; I12-V18 HydrophobicContact CG2-CG1 3.69Å; I12-V18 HydrophobicContact CG2-CG2 3.9Å; R13-V18 HydrophobicContact CB-CG2 4.38Å; R13-V18 HydrophobicContact CG-CG2 3.47Å; R13-V18 VanDerWaalsContact CG-CG2 3.47Å; V18-L170 HydrophobicContact CB-CD2 3.98Å; V18-L170 HydrophobicContact CG2-CD2 4.46Å; V18-W177 HydrophobicContact CB-CG 4.35Å; V18-W177 HydrophobicContact CG1-CB 3.87Å; V18-W177 HydrophobicContact CG1-CG 3.92Å; V18-V179 HydrophobicContact CG1-CG2 4.27Å; V18-V190 HydrophobicContact CG1-CG1 4.03Å |
| 19 | P | 94.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | trans | -69 | 165 | 179.6 | 26.1 | -33.3 | 0 | 0 | 0 | 112.5 | L170 W177 | P19-L170 HydrophobicContact CG-CD2 3.64Å; P19-L170 HydrophobicContact CG-CG 4.42Å; P19-L170 WeakPolarHBondContact O-CD2 3.16Å; P19-W177 VanDerWaalsContact CD-CZ2 3.45Å; P19-W177 HydrophobicContact CG-CD2 4.16Å; P19-W177 HydrophobicContact CG-CE3 3.79Å; P19-W177 HydrophobicContact CG-CH2 3.44Å; P19-W177 VanDerWaalsContact CG-CH2 3.44Å; P19-W177 HydrophobicContact CG-CZ2 3.75Å; P19-W177 HydrophobicContact CG-CZ3 3.45Å; P19-W177 VanDerWaalsContact CG-CZ3 3.45Å | ||
| 20 | V | 93.8 | Very high | 94.6 | Very high | 101 Ų | 101 | 53 Ų | 53 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -78.1 | -27.4 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 21 | Y | 96.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | trans | -113.2 | 155.1 | -176.3 | -52.3 | -74.4 | 0 | 0 | 0 | 111.6 | L485 K495 | Y21-L485 HydrophobicContact CD2-CB 4.04Å; Y21-L485 HydrophobicContact CD2-CD2 3.94Å; Y21-L485 HydrophobicContact CD2-CG 4.44Å; Y21-L485 HydrophobicContact CE2-CB 4.22Å; Y21-L485 WeakPolarHBondContact CE2-O 3.37Å; Y21-L485 HydrophobicContact CG-CD2 4.29Å; Y21-L485 PolarHBondContact OH-O 2.8Å; Y21-K495 HydrophobicContact CD1-CB 4.24Å; Y21-K495 HydrophobicContact CD1-CD 3.91Å; Y21-K495 HydrophobicContact CD2-CD 4.24Å; Y21-K495 HydrophobicContact CE1-CD 3.55Å; Y21-K495 HydrophobicContact CE2-CD 3.93Å; Y21-K495 HydrophobicContact CG-CB 4.28Å; Y21-K495 HydrophobicContact CG-CD 4.23Å; Y21-K495 PolarHBondContact OH-NZ 3.49Å | ||
| 22 | G | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 58 Ų | 58 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 138.4 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G171 S496 | G22-G171 CarbonylContact C-O 3.6Å; G22-G171 WeakPolarHBondContact CA-O 3.46Å; G22-S496 PolarHBondContact N-OG 2.69Å |
| 23 | W | 97.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.1 | 174.6 | -177.5 | 80.5 | 0 | 0 | 0 | 110.1 | A25 Y102 Y169 L170 G171 Y930 N931 Q936 Y937 | W23-A25 HydrophobicContact CE3-CB 4.47Å; W23-A25 HydrophobicContact CH2-CB 3.46Å; W23-A25 VanDerWaalsContact CH2-CB 3.46Å; W23-A25 HydrophobicContact CZ2-CB 4.1Å; W23-A25 HydrophobicContact CZ3-CB 3.68Å; W23-Y102 AromaticContact CH2-CD1 3.99Å; W23-Y102 HydrophobicContact CH2-CD1 3.99Å; W23-Y102 HydrophobicContact CH2-CE1 4.46Å; W23-Y102 HydrophobicContact CH2-CG 4.28Å; W23-Y102 HydrophobicContact CZ3-CD1 4.2Å; W23-Y102 HydrophobicContact CZ3-CG 4.14Å; W23-Y169 HydrophobicContact CE3-CD1 4.03Å; W23-Y169 AromaticContact CE3-CE1 3.95Å; W23-Y169 HydrophobicContact CE3-CE1 3.95Å; W23-Y169 AromaticContact CZ3-CD1 3.97Å; W23-Y169 HydrophobicContact CZ3-CD1 3.97Å; W23-Y169 HydrophobicContact CZ3-CE1 4.13Å; W23-L170 CarbonylContact O-C 3.51Å; W23-L170 WeakPolarHBondContact O-CA 3.36Å; W23-G171 PolarHBondContact N-O 3.25Å; W23-G171 PolarHBondContact O-N 3.49Å; W23-Y930 HydrophobicContact CB-CD1 4.41Å; W23-Y930 AromaticContact CD1-CD1 3.71Å; W23-Y930 HydrophobicContact CG-CD1 4Å; W23-N931 PolarHBondContact NE1-OD1 2.89Å; W23-N931 VanDerWaalsContact NE1-OD1 3.12Å; W23-Q936 HydrophobicContact CD2-CB 4.29Å; W23-Q936 HydrophobicContact CD2-CG 4.15Å; W23-Q936 HydrophobicContact CE3-CG 4.21Å; W23-Q936 HydrophobicContact CH2-CG 3.65Å; W23-Q936 VanDerWaalsContact CH2-NE2 3.27Å; W23-Q936 HydrophobicContact CZ2-CB 4.22Å; W23-Q936 HydrophobicContact CZ2-CG 3.58Å; W23-Q936 HydrophobicContact CZ3-CG 3.97Å; W23-Y937 HydrophobicContact CE3-CE2 4.18Å |
| 24 | E | 95.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.5 | -171.7 | -70 | 179.5 | -162.8 | 0 | 0 | 112.7 | R13 Y169 L170 | R13-E24 IonicContact CZ-OE1 2.67Å; R13-E24 IonicContact CZ-OE2 3.39Å; R13-E24 IonicContact NH2-OE1 3.58Å; R13-E24 PolarHBondContact NH2-OE1 2.93Å; R13-E24 IonicContact NH2-OE2 3.09Å; R13-E24 PolarHBondContact NH2-OE2 3.16Å; E24-Y169 WeakPolarHBondContact CA-O 3.3Å; E24-L170 HydrophobicContact CG-CB 4.39Å; E24-L170 HydrophobicContact CG-CD1 3.29Å; E24-L170 HydrophobicContact CG-CG 4.39Å |
| 25 | A | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 137.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W23 H29 Y102 Y169 | W23-A25 HydrophobicContact CE3-CB 4.47Å; W23-A25 HydrophobicContact CH2-CB 3.46Å; W23-A25 VanDerWaalsContact CH2-CB 3.46Å; W23-A25 HydrophobicContact CZ2-CB 4.1Å; W23-A25 HydrophobicContact CZ3-CB 3.68Å; A25-H29 HydrophobicContact CB-CB 4.02Å; A25-Y102 HydrophobicContact CB-CD2 3.88Å; A25-Y102 HydrophobicContact CB-CE2 4.1Å; A25-Y102 HydrophobicContact CB-CG 4.27Å; A25-Y169 PolarHBondContact N-O 3.49Å; A25-Y169 WeakPolarHBondContact O-CB 3.35Å; A25-Y169 PolarHBondContact O-N 3.38Å |
| 26 | R | 96.3 | Very high | 93.9 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 36% | 0.362 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 154.4 | 163.6 | -164.8 | 168.6 | 70.6 | 165.8 | 0.8 | 109.4 | D28 H29 Y102 P164 G167 | R26-D28 WeakPolarHBondContact CB-OD1 3.19Å; R26-D28 WeakPolarHBondContact CG-OD1 3.49Å; R26-D28 IonicContact CZ-OD1 2.63Å; R26-D28 IonicContact CZ-OD2 3.48Å; R26-D28 IonicContact NE-OD1 3.71Å; R26-D28 PolarHBondContact NE-OD1 2.96Å; R26-D28 IonicContact NE-OD2 2.99Å; R26-D28 PolarHBondContact NE-OD2 3.25Å; R26-D28 IonicContact NH2-OD1 2.7Å; R26-D28 PolarHBondContact NH2-OD1 3.45Å; R26-D28 IonicContact NH2-OD2 3.7Å; R26-D28 PolarHBondContact NH2-OD2 3.45Å; R26-D28 PolarHBondContact O-N 3.33Å; R26-D28 VanDerWaalsContact O-N 3.09Å; R26-H29 WeakPolarHBondContact O-CB 3.39Å; R26-H29 PolarHBondContact O-N 2.92Å; R26-Y102 WeakPolarHBondContact O-CE2 3.47Å; R26-P164 WeakPolarHBondContact CG-O 3.2Å; R26-G167 CarbonylContact C-O 3.54Å; R26-G167 WeakPolarHBondContact CA-O 3.33Å; R26-G167 VanDerWaalsContact CG-O 3.31Å; R26-G167 WeakPolarHBondContact CG-O 3.04Å |
| 27 | F | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.1 | -174.8 | -77.9 | 12.3 | 0 | 0 | 0 | 114 | Y102 R103 P144 P164 G167 T178 Y180 | F27-Y102 WeakPolarHBondContact CE1-O 3.3Å; F27-R103 HydrophobicContact CB-CG 4.3Å; F27-R103 HydrophobicContact CD1-CB 4.37Å; F27-R103 HydrophobicContact CD1-CG 4.26Å; F27-R103 HydrophobicContact CD2-CB 4.45Å; F27-R103 HydrophobicContact CG-CB 4.3Å; F27-R103 HydrophobicContact CG-CG 4.2Å; F27-R103 PolarHBondContact O-NE 3.2Å; F27-R103 PolarHBondContact O-NH2 2.85Å; F27-R103 VanDerWaalsContact O-NH2 3.17Å; F27-P144 HydrophobicContact CB-CB 4.37Å; F27-P144 HydrophobicContact CB-CG 4.2Å; F27-P144 HydrophobicContact CD2-CB 4.05Å; F27-P144 HydrophobicContact CD2-CG 3.68Å; F27-P144 HydrophobicContact CE2-CG 4.39Å; F27-P144 HydrophobicContact CG-CG 4.23Å; F27-P164 HydrophobicContact CB-CB 3.8Å; F27-P164 WeakPolarHBondContact CB-O 3.49Å; F27-P164 PolarHBondContact N-O 3.19Å; F27-G167 WeakPolarHBondContact CD1-O 3.36Å; F27-G167 PolarHBondContact N-O 3.31Å; F27-T178 HydrophobicContact CE1-CG2 3.88Å; F27-T178 HydrophobicContact CZ-CG2 3.6Å; F27-Y180 HydrophobicContact CE2-CD1 4.35Å; F27-Y180 AromaticContact CE2-CE1 3.65Å; F27-Y180 HydrophobicContact CE2-CE1 3.65Å; F27-Y180 AromaticContact CZ-CE1 3.78Å; F27-Y180 HydrophobicContact CZ-CE1 3.78Å |
| 28 | D | 95.7 | Very high | 93.8 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 6.2 | 173.7 | 71.2 | -25 | 0 | 0 | 0 | 114.1 | R26 K30 P164 | R26-D28 WeakPolarHBondContact CB-OD1 3.19Å; R26-D28 WeakPolarHBondContact CG-OD1 3.49Å; R26-D28 IonicContact CZ-OD1 2.63Å; R26-D28 IonicContact CZ-OD2 3.48Å; R26-D28 IonicContact NE-OD1 3.71Å; R26-D28 PolarHBondContact NE-OD1 2.96Å; R26-D28 IonicContact NE-OD2 2.99Å; R26-D28 PolarHBondContact NE-OD2 3.25Å; R26-D28 IonicContact NH2-OD1 2.7Å; R26-D28 PolarHBondContact NH2-OD1 3.45Å; R26-D28 IonicContact NH2-OD2 3.7Å; R26-D28 PolarHBondContact NH2-OD2 3.45Å; R26-D28 PolarHBondContact O-N 3.33Å; R26-D28 VanDerWaalsContact O-N 3.09Å; D28-K30 WeakPolarHBondContact O-CG 3.32Å; D28-K30 PolarHBondContact O-N 3.46Å; D28-P164 HydrophobicContact CB-CB 3.99Å; D28-P164 HydrophobicContact CB-CG 4.31Å |
| 29 | H | 94.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | trans | -51.5 | 132.5 | 179.2 | 178 | 86.4 | 0 | 0 | 0 | 111.3 | A25 R26 Y102 R103 | A25-H29 HydrophobicContact CB-CB 4.02Å; R26-H29 WeakPolarHBondContact O-CB 3.39Å; R26-H29 PolarHBondContact O-N 2.92Å; H29-Y102 HydrophobicContact CB-CE2 4.32Å; H29-Y102 PolarHBondContact O-OH 3.16Å; H29-Y102 VanDerWaalsContact O-OH 3.07Å; H29-R103 PolarHBondContact O-NH2 3Å | ||
| 30 | K | 89.8 | Confident | 92.8 | Very high | 180 Ų | 180 | 69.3 Ų | 69.3 | 78% | 0.783 | 33% | 0.334 | S | S | * | . | trans | -123.1 | 126.7 | 178.6 | -66.1 | -179.7 | -173.5 | 171.1 | 0 | 109.8 | D28 | D28-K30 WeakPolarHBondContact O-CG 3.32Å; D28-K30 PolarHBondContact O-N 3.46Å | ||
| 31 | C | 87.2 | Confident | 92.4 | Very high | 26 Ų | 26 | 65.8 Ų | 65.8 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -68.3 | 139.4 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | W82 P84 G934 | C31-W82 HydrophobicContact CB-CH2 4.28Å; C31-W82 HydrophobicContact CB-CZ2 4.03Å; C31-P84 WeakPolarHBondContact SG-CB 3.26Å; C31-G934 VanDerWaalsContact SG-CA 3.55Å | ||
| 32 | K | 82.1 | Confident | 92.1 | Very high | 184 Ų | 184 | 68.2 Ų | 68.2 | 80% | 0.8 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -69.7 | -37.7 | -177.3 | -65.5 | 179.6 | -179.4 | 175.7 | 0 | 112 | L932 | K32-L932 HydrophobicContact CB-CD1 4.37Å; K32-L932 HydrophobicContact CD-CD1 4.48Å |
| 33 | I | 89.9 | Confident | 91.7 | Very high | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -114.6 | 132.7 | -177.3 | -61.6 | -175.1 | 0 | 0 | 0 | 109.2 | W82 L932 Y933 | I33-W82 WeakPolarHBondContact O-CZ2 3.42Å; I33-L932 HydrophobicContact CD1-CD1 3.71Å; I33-L932 HydrophobicContact CD1-CD2 4.08Å; I33-L932 HydrophobicContact CD1-CG 3.79Å; I33-L932 HydrophobicContact CG1-CD1 4.03Å; I33-L932 HydrophobicContact CG1-CG 4.35Å; I33-Y933 HydrophobicContact CB-CD1 4.19Å; I33-Y933 HydrophobicContact CB-CE1 4.45Å; I33-Y933 HydrophobicContact CD1-CD1 4.34Å; I33-Y933 HydrophobicContact CD1-CE1 3.92Å; I33-Y933 HydrophobicContact CG2-CD1 4.19Å; I33-Y933 HydrophobicContact CG2-CE1 4.18Å |
| 34 | K | 92.6 | Very high | 91.3 | Very high | 174 Ų | 174 | 74.1 Ų | 74.1 | 76% | 0.757 | 37% | 0.367 | S | S | * | . | trans | -86 | 113.6 | 170.2 | -69.6 | -172.5 | 179.7 | 178.1 | 0 | 109.3 | W82 | K34-W82 HydrophobicContact CB-CH2 4.24Å; K34-W82 HydrophobicContact CB-CZ3 3.94Å; K34-W82 HydrophobicContact CG-CH2 4.1Å; K34-W82 HydrophobicContact CG-CZ3 3.9Å | ||
| 35 | C | 96.2 | Very high | 91 | Very high | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | trans | -90.6 | 161.6 | 179.6 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | W82 Y933 G947 F949 | C35-W82 HydrophobicContact CB-CD2 4.06Å; C35-W82 HydrophobicContact CB-CG 3.93Å; C35-Y933 WeakPolarHBondContact SG-CB 3.46Å; C35-Y933 PolarHBondContact SG-O 2.94Å; C35-G947 VanDerWaalsContact CA-O 3.23Å; C35-G947 WeakPolarHBondContact CA-O 3.46Å; C35-G947 WeakPolarHBondContact CB-O 3.49Å; C35-F949 HydrophobicContact CB-CD1 4.01Å; C35-F949 HydrophobicContact CB-CE1 4.02Å | ||
| 36 | R | 95.5 | Very high | 90.5 | Very high | 135 Ų | 135 | 74.3 Ų | 74.3 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151 | 175.5 | 63.8 | -178.6 | 178.3 | -99 | -2.4 | 110.6 | G947 R948 F949 | R36-G947 PolarHBondContact N-O 2.97Å; R36-R948 HydrophobicContact CG-CG 3.91Å; R36-R948 WeakPolarHBondContact O-CA 3.49Å; R36-F949 VanDerWaalsContact O-CD1 3.31Å; R36-F949 WeakPolarHBondContact O-CD1 3.3Å; R36-F949 WeakPolarHBondContact O-CE1 3.23Å; R36-F949 PolarHBondContact O-N 3.3Å |
| 37 | P | 94.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 79.6 Ų | 79.6 | 14% | 0.143 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 147 | 170.6 | -24.5 | 35 | 0 | 0 | 0 | 111.5 | H79 V80 F949 | P37-H79 HydrophobicContact CB-CB 3.58Å; P37-H79 HydrophobicContact CG-CB 3.72Å; P37-V80 WeakPolarHBondContact CG-O 3.18Å; P37-F949 CarbonylContact C-O 3.56Å; P37-F949 WeakPolarHBondContact CA-O 3.44Å; P37-F949 HydrophobicContact CG-CE1 4.45Å; P37-F949 HydrophobicContact CG-CE2 4.33Å; P37-F949 HydrophobicContact CG-CZ 3.88Å |
| 38 | F | 91.5 | Very high | 89 | Confident | 26 Ų | 26 | 85.6 Ų | 85.6 | 11% | 0.114 | 42% | 0.42 | C | S | . | . | trans | -66.3 | 136.6 | 167.5 | 176.6 | -89.9 | 0 | 0 | 0 | 109.6 | P41 H79 V892 M944 R948 F949 R950 | F38-P41 HydrophobicContact CE1-CG 4.2Å; F38-P41 HydrophobicContact CZ-CB 4.31Å; F38-P41 HydrophobicContact CZ-CG 3.92Å; F38-H79 PolarHBondContact O-CE1 2.72Å; F38-H79 PolarHBondContact O-NE2 3.44Å; F38-V892 HydrophobicContact CE1-CG1 4.11Å; F38-V892 HydrophobicContact CE2-CG1 3.79Å; F38-V892 HydrophobicContact CZ-CB 4.4Å; F38-V892 HydrophobicContact CZ-CG1 3.56Å; F38-V892 HydrophobicContact CZ-CG2 3.86Å; F38-M944 HydrophobicContact CD2-SD 3.76Å; F38-M944 HydrophobicContact CE2-SD 4.12Å; F38-R948 VanDerWaalsContact CE2-NH1 3.32Å; F38-F949 PolarHBondContact N-O 3.27Å; F38-R950 HydrophobicContact CB-CG 3.99Å; F38-R950 HydrophobicContact CG-CG 4.48Å | ||
| 39 | T | 83.7 | Confident | 88.5 | Confident | 91 Ų | 91 | 85.2 Ų | 85.2 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | trans | -128.2 | -52.2 | -176 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 40 | V | 84.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | trans | -125.9 | 128 | -172.3 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | M46 | V40-M46 HydrophobicContact CG1-SD 4.21Š| ||
| 41 | P | 87 | Confident | 88.1 | Confident | 27 Ų | 27 | 80.4 Ų | 80.4 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | trans | -65.3 | 170.9 | 169.5 | -23.4 | 36.2 | 0 | 0 | 0 | 113.5 | F38 Q45 M46 I49 V892 | F38-P41 HydrophobicContact CE1-CG 4.2Å; F38-P41 HydrophobicContact CZ-CB 4.31Å; F38-P41 HydrophobicContact CZ-CG 3.92Å; P41-Q45 HydrophobicContact CB-CB 4.01Å; P41-M46 HydrophobicContact CB-CG 4.41Å; P41-I49 HydrophobicContact CB-CD1 4.38Å; P41-I49 HydrophobicContact CG-CD1 3.73Å; P41-V892 HydrophobicContact CB-CG2 3.72Å; P41-V892 HydrophobicContact CG-CG2 4Å | ||
| 42 | R | 89.4 | Confident | 88.3 | Confident | 107 Ų | 107 | 80.2 Ų | 80.2 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | trans | -68 | 155.8 | 172.6 | -65.6 | 176.9 | -165 | -77.5 | -5.2 | 111 | S44 Q45 M46 E895 | R42-S44 PolarHBondContact O-N 3.29Å; R42-Q45 HydrophobicContact CB-CG 4.37Å; R42-Q45 WeakPolarHBondContact O-CB 3.32Å; R42-Q45 PolarHBondContact O-N 2.8Å; R42-M46 WeakPolarHBondContact O-CG 3.13Å; R42-M46 PolarHBondContact O-N 3.13Å; R42-E895 WeakPolarHBondContact CD-OE1 3.15Å; R42-E895 IonicContact CZ-OE1 3.76Å; R42-E895 IonicContact CZ-OE2 2.94Å; R42-E895 VanDerWaalsContact NE-CD 3.28Å; R42-E895 IonicContact NE-OE1 2.95Å; R42-E895 PolarHBondContact NE-OE1 3.29Å; R42-E895 IonicContact NE-OE2 2.94Å; R42-E895 PolarHBondContact NE-OE2 2.69Å; R42-E895 IonicContact NH2-OE1 2.78Å; R42-E895 IonicContact NH2-OE2 3.68Å; R42-E895 PolarHBondContact NH2-OE2 2.93Å | ||
| 43 | A | 88.1 | Confident | 88.6 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.1 | -31.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | M46 | A43-M46 HydrophobicContact CB-CE 3.97Å |
| 44 | S | 88.1 | Confident | 88.7 | Confident | 73 Ų | 73 | 75.2 Ų | 75.2 | 51% | 0.51 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 172.8 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | R42 | R42-S44 PolarHBondContact O-N 3.29Å |
| 45 | Q | 89.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76 | -29.6 | -178.1 | -66.1 | 159.5 | -12.9 | 0 | 0 | 112.4 | P41 R42 R47 D48 L889 V892 E895 | P41-Q45 HydrophobicContact CB-CB 4.01Å; R42-Q45 HydrophobicContact CB-CG 4.37Å; R42-Q45 WeakPolarHBondContact O-CB 3.32Å; R42-Q45 PolarHBondContact O-N 2.8Å; Q45-R47 PolarHBondContact O-N 2.81Å; Q45-D48 PolarHBondContact O-N 2.79Å; Q45-L889 PolarHBondContact NE2-O 3.43Å; Q45-V892 VanDerWaalsContact OE1-CG2 3.28Å; Q45-E895 PolarHBondContact NE2-OE1 3.13Å |
| 46 | M | 86.6 | Confident | 88.7 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 39% | 0.394 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.5 | -29.9 | -179.8 | -76.6 | -165.1 | -74 | 0 | 0 | 113 | V40 P41 R42 A43 D48 I49 L50 | V40-M46 HydrophobicContact CG1-SD 4.21Å; P41-M46 HydrophobicContact CB-CG 4.41Å; R42-M46 WeakPolarHBondContact O-CG 3.13Å; R42-M46 PolarHBondContact O-N 3.13Å; A43-M46 HydrophobicContact CB-CE 3.97Å; M46-D48 VanDerWaalsContact C-N 3.3Å; M46-D48 PolarHBondContact O-N 2.84Å; M46-I49 PolarHBondContact O-N 2.83Å; M46-L50 VanDerWaalsContact O-CB 3.32Å; M46-L50 WeakPolarHBondContact O-CB 3.38Å; M46-L50 PolarHBondContact O-N 3.09Å |
| 47 | R | 83.4 | Confident | 88.5 | Confident | 207 Ų | 207 | 66.4 Ų | 66.4 | 78% | 0.781 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.6 | -39.1 | -179.3 | -64.9 | -179.1 | -179.8 | -179.5 | -0.7 | 112.3 | Q45 | Q45-R47 PolarHBondContact O-N 2.81Å |
| 48 | D | 78.4 | Confident | 88.4 | Confident | 127 Ų | 127 | 71.8 Ų | 71.8 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -78.2 | -29.3 | -175.5 | -61.6 | -23.7 | 0 | 0 | 0 | 111.8 | Q45 M46 | Q45-D48 PolarHBondContact O-N 2.79Å; M46-D48 VanDerWaalsContact C-N 3.3Å; M46-D48 PolarHBondContact O-N 2.84Å |
| 49 | I | 85.2 | Confident | 88.2 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 21% | 0.205 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -97.7 | -15.3 | -177.4 | 64.3 | 172.4 | 0 | 0 | 0 | 114.1 | P41 M46 G51 M52 S53 | P41-I49 HydrophobicContact CB-CD1 4.38Å; P41-I49 HydrophobicContact CG-CD1 3.73Å; M46-I49 PolarHBondContact O-N 2.83Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.21Å; I49-M52 HydrophobicContact CB-CE 4.13Å; I49-M52 HydrophobicContact CG2-CE 4.04Å; I49-M52 CarbonylContact O-C 3.46Å; I49-M52 WeakPolarHBondContact O-CA 3.41Å; I49-M52 WeakPolarHBondContact O-CB 3.32Å; I49-M52 PolarHBondContact O-N 3.25Å; I49-S53 PolarHBondContact O-N 2.92Å; I49-S53 PolarHBondContact O-OG 2.79Å; I49-S53 VanDerWaalsContact O-OG 3.08Å |
| 50 | L | 87.3 | Confident | 88.6 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.4 | -47.5 | -169.6 | -179.7 | 62.2 | 0 | 0 | 0 | 113.3 | M46 M52 S53 L54 | M46-L50 VanDerWaalsContact O-CB 3.32Å; M46-L50 WeakPolarHBondContact O-CB 3.38Å; M46-L50 PolarHBondContact O-N 3.09Å; L50-M52 VanDerWaalsContact C-N 3.32Å; L50-M52 PolarHBondContact O-N 3.49Å; L50-S53 PolarHBondContact O-N 2.81Å; L50-L54 HydrophobicContact CD1-CD1 4.47Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.38Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 2.59Å |
| 51 | G | 89.2 | Confident | 88.9 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I49 R55 | I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.21Å; G51-R55 VanDerWaalsContact O-CZ 3.28Å; G51-R55 PolarHBondContact O-N 2.97Å; G51-R55 PolarHBondContact O-NH1 2.87Å |
| 52 | M | 90.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 175.8 | -179.4 | -179.9 | 70.2 | 0 | 0 | 111.4 | I49 L50 L54 R55 Y56 I635 M669 F670 | I49-M52 HydrophobicContact CB-CE 4.13Å; I49-M52 HydrophobicContact CG2-CE 4.04Å; I49-M52 CarbonylContact O-C 3.46Å; I49-M52 WeakPolarHBondContact O-CA 3.41Å; I49-M52 WeakPolarHBondContact O-CB 3.32Å; I49-M52 PolarHBondContact O-N 3.25Å; L50-M52 VanDerWaalsContact C-N 3.32Å; L50-M52 PolarHBondContact O-N 3.49Å; M52-L54 VanDerWaalsContact C-N 3.33Å; M52-L54 PolarHBondContact O-N 2.92Å; M52-R55 PolarHBondContact O-N 3.24Å; M52-Y56 WeakPolarHBondContact O-CB 3.46Å; M52-Y56 PolarHBondContact O-N 2.94Å; M52-I635 HydrophobicContact CG-CG2 4.03Å; M52-M669 HydrophobicContact CE-CE 3.89Å; M52-M669 HydrophobicContact CG-CE 3.88Å; M52-M669 HydrophobicContact SD-CE 3.53Å; M52-M669 VanDerWaalsContact SD-CE 3.53Å; M52-F670 HydrophobicContact SD-CE2 4.09Å; M52-F670 HydrophobicContact SD-CZ 3.78Å |
| 53 | S | 89.8 | Confident | 89.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | I49 L50 Y56 A57 | I49-S53 PolarHBondContact O-N 2.92Å; I49-S53 PolarHBondContact O-OG 2.79Å; I49-S53 VanDerWaalsContact O-OG 3.08Å; L50-S53 PolarHBondContact O-N 2.81Å; S53-Y56 PolarHBondContact O-N 2.85Å; S53-A57 WeakPolarHBondContact O-CB 3.5Å; S53-A57 PolarHBondContact O-N 2.88Å |
| 54 | L | 92.1 | Very high | 89.2 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 173.7 | -70.1 | 171.7 | 0 | 0 | 0 | 111.2 | L50 M52 Y56 A57 F58 | L50-L54 HydrophobicContact CD1-CD1 4.47Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.38Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 2.59Å; M52-L54 VanDerWaalsContact C-N 3.33Å; M52-L54 PolarHBondContact O-N 2.92Å; L54-Y56 PolarHBondContact O-N 3.16Å; L54-A57 PolarHBondContact O-N 2.98Å; L54-F58 HydrophobicContact CD2-CD2 4.43Å; L54-F58 HydrophobicContact CD2-CE2 3.93Å; L54-F58 VanDerWaalsContact O-CD2 3.25Å; L54-F58 WeakPolarHBondContact O-CD2 3.4Å; L54-F58 PolarHBondContact O-N 3.3Å |
| 55 | R | 94.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.3 | -73 | -175.4 | -69.6 | -86.9 | 4.9 | 111.7 | G51 M52 A57 Q59 F60 Y633 I635 G636 | G51-R55 VanDerWaalsContact O-CZ 3.28Å; G51-R55 PolarHBondContact O-N 2.97Å; G51-R55 PolarHBondContact O-NH1 2.87Å; M52-R55 PolarHBondContact O-N 3.24Å; R55-A57 PolarHBondContact O-N 3.22Å; R55-Q59 WeakPolarHBondContact O-CA 3.34Å; R55-Q59 VanDerWaalsContact O-CB 3.27Å; R55-Q59 WeakPolarHBondContact O-CB 3.44Å; R55-Q59 PolarHBondContact O-N 2.97Å; R55-F60 PolarHBondContact O-N 3.24Å; R55-Y633 WeakPolarHBondContact CD-OH 3.34Å; R55-I635 HydrophobicContact CB-CG2 3.86Å; R55-I635 WeakPolarHBondContact CD-O 3.42Å; R55-I635 PolarHBondContact NE-O 2.83Å; R55-G636 PolarHBondContact NH2-O 3.42Å |
| 56 | Y | 93.2 | Very high | 89.1 | Confident | 24 Ų | 24 | 75 Ų | 75 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -57.1 | -50.6 | 175.4 | 176.6 | -88.7 | 0 | 0 | 0 | 110.4 | M52 S53 L54 F60 Y61 I74 A76 I635 M669 | M52-Y56 WeakPolarHBondContact O-CB 3.46Å; M52-Y56 PolarHBondContact O-N 2.94Å; S53-Y56 PolarHBondContact O-N 2.85Å; L54-Y56 PolarHBondContact O-N 3.16Å; Y56-F60 AromaticContact CD2-CD1 3.79Å; Y56-F60 HydrophobicContact CD2-CD1 3.79Å; Y56-F60 HydrophobicContact CD2-CE1 4.43Å; Y56-F60 AromaticContact CE2-CD1 3.55Å; Y56-F60 HydrophobicContact CE2-CD1 3.55Å; Y56-F60 AromaticContact CE2-CE1 3.79Å; Y56-F60 HydrophobicContact CE2-CE1 3.79Å; Y56-F60 CarbonylContact O-C 3.58Å; Y56-F60 WeakPolarHBondContact O-CB 3.49Å; Y56-F60 PolarHBondContact O-N 3.05Å; Y56-Y61 HydrophobicContact CE1-CD2 4.04Å; Y56-Y61 HydrophobicContact CE1-CG 4.2Å; Y56-Y61 WeakPolarHBondContact O-CB 3.47Å; Y56-Y61 PolarHBondContact O-N 3.2Å; Y56-I74 PolarHBondContact OH-O 3Å; Y56-A76 HydrophobicContact CE1-CB 3.91Å; Y56-A76 PolarHBondContact OH-N 3.22Å; Y56-I635 HydrophobicContact CD2-CD1 4.05Å; Y56-M669 HydrophobicContact CD2-CE 4.48Å; Y56-M669 HydrophobicContact CD2-SD 4Å |
| 57 | A | 92 | Very high | 89.2 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -61.5 | -52.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S53 L54 R55 I62 | S53-A57 WeakPolarHBondContact O-CB 3.5Å; S53-A57 PolarHBondContact O-N 2.88Å; L54-A57 PolarHBondContact O-N 2.98Å; R55-A57 PolarHBondContact O-N 3.22Å; A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 WeakPolarHBondContact O-CG1 3.29Å; A57-I62 PolarHBondContact O-N 3.05Å |
| 58 | F | 91.5 | Very high | 89.4 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -88 | -38.6 | -169.2 | -68.4 | -73 | 0 | 0 | 0 | 114.5 | L54 I62 | L54-F58 HydrophobicContact CD2-CD2 4.43Å; L54-F58 HydrophobicContact CD2-CE2 3.93Å; L54-F58 VanDerWaalsContact O-CD2 3.25Å; L54-F58 WeakPolarHBondContact O-CD2 3.4Å; L54-F58 PolarHBondContact O-N 3.3Å; F58-I62 HydrophobicContact CD1-CD1 3.85Å; F58-I62 HydrophobicContact CE1-CD1 4.18Å |
| 59 | Q | 88.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 66 Ų | 66 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -91.8 | -24 | -175.8 | -62.6 | -64.8 | -15.3 | 0 | 0 | 113.2 | R55 K63 Y633 | R55-Q59 WeakPolarHBondContact O-CA 3.34Å; R55-Q59 VanDerWaalsContact O-CB 3.27Å; R55-Q59 WeakPolarHBondContact O-CB 3.44Å; R55-Q59 PolarHBondContact O-N 2.97Å; Q59-K63 WeakPolarHBondContact O-CB 3.42Å; Q59-K63 WeakPolarHBondContact O-CD 3.38Å; Q59-Y633 HydrophobicContact CB-CD1 4.45Å; Q59-Y633 HydrophobicContact CB-CE1 3.85Å; Q59-Y633 HydrophobicContact CG-CE1 4.18Å |
| 60 | F | 91.8 | Very high | 90 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -116 | -65 | -175.7 | 177 | -104.1 | 0 | 0 | 0 | 113.1 | R55 Y56 K63 K64 P72 F73 I635 I668 | R55-F60 PolarHBondContact O-N 3.24Å; Y56-F60 AromaticContact CD2-CD1 3.79Å; Y56-F60 HydrophobicContact CD2-CD1 3.79Å; Y56-F60 HydrophobicContact CD2-CE1 4.43Å; Y56-F60 AromaticContact CE2-CD1 3.55Å; Y56-F60 HydrophobicContact CE2-CD1 3.55Å; Y56-F60 AromaticContact CE2-CE1 3.79Å; Y56-F60 HydrophobicContact CE2-CE1 3.79Å; Y56-F60 CarbonylContact O-C 3.58Å; Y56-F60 WeakPolarHBondContact O-CB 3.49Å; Y56-F60 PolarHBondContact O-N 3.05Å; F60-K63 PolarHBondContact O-N 3.1Å; F60-K64 HydrophobicContact CD2-CG 3.83Å; F60-K64 HydrophobicContact CE2-CD 4.12Å; F60-K64 HydrophobicContact CE2-CG 3.57Å; F60-K64 HydrophobicContact CG-CG 4.45Å; F60-K64 HydrophobicContact CZ-CG 3.97Å; F60-K64 VanDerWaalsContact O-CB 3.31Å; F60-K64 WeakPolarHBondContact O-CB 3.43Å; F60-K64 VanDerWaalsContact O-CG 3.29Å; F60-K64 WeakPolarHBondContact O-CG 3.4Å; F60-K64 PolarHBondContact O-N 3.19Å; F60-P72 HydrophobicContact CE1-CB 3.46Å; F60-P72 VanDerWaalsContact CE1-CB 3.46Å; F60-P72 HydrophobicContact CZ-CB 3.74Å; F60-F73 HydrophobicContact CE1-CD1 4.04Å; F60-F73 AromaticContact CE1-CE1 3.71Å; F60-F73 HydrophobicContact CE1-CE1 3.71Å; F60-F73 AromaticContact CE2-CD1 3.89Å; F60-F73 HydrophobicContact CE2-CD1 3.89Å; F60-F73 AromaticContact CE2-CE1 3.69Å; F60-F73 HydrophobicContact CE2-CE1 3.69Å; F60-F73 AromaticContact CZ-CD1 3.27Å; F60-F73 HydrophobicContact CZ-CD1 3.27Å; F60-F73 AromaticContact CZ-CE1 3.23Å; F60-F73 HydrophobicContact CZ-CE1 3.23Å; F60-F73 HydrophobicContact CZ-CG 4.43Å; F60-F73 HydrophobicContact CZ-CZ 4.4Å; F60-I635 HydrophobicContact CB-CD1 3.56Å; F60-I635 HydrophobicContact CB-CG1 4.27Å; F60-I635 HydrophobicContact CD1-CD1 3.99Å; F60-I635 HydrophobicContact CD2-CD1 4.17Å; F60-I635 HydrophobicContact CG-CD1 3.64Å; F60-I668 HydrophobicContact CD2-CD1 3.72Å; F60-I668 HydrophobicContact CE2-CD1 3.83Å; F60-I668 HydrophobicContact CE2-CG1 4.49Å |
| 61 | Y | 91.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 64 Ų | 64 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -61.5 | -52.8 | -171.6 | -177.2 | -95.8 | 0 | 0 | 0 | 112.3 | Y56 K63 K64 R65 F66 P72 D75 V77 | Y56-Y61 HydrophobicContact CE1-CD2 4.04Å; Y56-Y61 HydrophobicContact CE1-CG 4.2Å; Y56-Y61 WeakPolarHBondContact O-CB 3.47Å; Y56-Y61 PolarHBondContact O-N 3.2Å; Y61-K63 VanDerWaalsContact C-N 3.34Å; Y61-K63 PolarHBondContact O-N 2.86Å; Y61-K64 PolarHBondContact O-N 3.47Å; Y61-R65 VanDerWaalsContact CZ-CD 3.45Å; Y61-R65 VanDerWaalsContact O-CB 3.23Å; Y61-R65 WeakPolarHBondContact O-CB 3.37Å; Y61-R65 PolarHBondContact O-N 3.39Å; Y61-R65 WeakPolarHBondContact OH-CD 3.33Å; Y61-R65 PolarHBondContact OH-NE 3.11Å; Y61-F66 HydrophobicContact CE1-CE2 4.14Å; Y61-P72 HydrophobicContact CD2-CG 4.13Å; Y61-P72 HydrophobicContact CE2-CG 4.15Å; Y61-D75 VanDerWaalsContact CE2-OD1 3.31Å; Y61-D75 WeakPolarHBondContact CE2-OD1 3.39Å; Y61-V77 HydrophobicContact CE1-CG2 4.04Å; Y61-V77 HydrophobicContact CE2-CB 4.21Å; Y61-V77 HydrophobicContact CE2-CG2 3.95Å; Y61-V77 WeakPolarHBondContact OH-CB 3.31Å |
| 62 | I | 91 | Very high | 90.2 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 178.9 | -72.4 | 169.5 | 0 | 0 | 0 | 110.6 | A57 F58 F66 I67 | A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 WeakPolarHBondContact O-CG1 3.29Å; A57-I62 PolarHBondContact O-N 3.05Å; F58-I62 HydrophobicContact CD1-CD1 3.85Å; F58-I62 HydrophobicContact CE1-CD1 4.18Å; I62-F66 HydrophobicContact CB-CD2 4.38Å; I62-F66 HydrophobicContact CG1-CD2 4.29Å; I62-F66 HydrophobicContact CG2-CD2 4.28Å; I62-F66 WeakPolarHBondContact O-CB 3.31Å; I62-F66 PolarHBondContact O-N 2.83Å; I62-I67 PolarHBondContact O-N 2.9Å |
| 63 | K | 89.6 | Confident | 90.2 | Very high | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -58.7 | -51 | 177.8 | -176.5 | 178.8 | 179.5 | 178 | 0 | 111.6 | Q59 F60 Y61 I67 Q68 | Q59-K63 WeakPolarHBondContact O-CB 3.42Å; Q59-K63 WeakPolarHBondContact O-CD 3.38Å; F60-K63 PolarHBondContact O-N 3.1Å; Y61-K63 VanDerWaalsContact C-N 3.34Å; Y61-K63 PolarHBondContact O-N 2.86Å; K63-I67 WeakPolarHBondContact O-CA 3.4Å; K63-I67 VanDerWaalsContact O-CB 3.31Å; K63-I67 WeakPolarHBondContact O-CB 3.5Å; K63-I67 PolarHBondContact O-N 3.41Å; K63-Q68 HydrophobicContact CG-CG 4.4Å; K63-Q68 WeakPolarHBondContact O-CG 3.43Å; K63-Q68 PolarHBondContact O-N 2.85Å |
| 64 | K | 89.5 | Confident | 90.2 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -64.5 | -54.8 | -179.7 | -73 | -77.6 | 168.7 | -167.4 | 0 | 111.2 | F60 Y61 Q68 H69 R70 | F60-K64 HydrophobicContact CD2-CG 3.83Å; F60-K64 HydrophobicContact CE2-CD 4.12Å; F60-K64 HydrophobicContact CE2-CG 3.57Å; F60-K64 HydrophobicContact CG-CG 4.45Å; F60-K64 HydrophobicContact CZ-CG 3.97Å; F60-K64 VanDerWaalsContact O-CB 3.31Å; F60-K64 WeakPolarHBondContact O-CB 3.43Å; F60-K64 VanDerWaalsContact O-CG 3.29Å; F60-K64 WeakPolarHBondContact O-CG 3.4Å; F60-K64 PolarHBondContact O-N 3.19Å; Y61-K64 PolarHBondContact O-N 3.47Å; K64-Q68 VanDerWaalsContact CD-OE1 3.25Å; K64-Q68 VanDerWaalsContact CE-OE1 3.26Å; K64-Q68 CarbonylContact O-C 3.19Å; K64-H69 PolarHBondContact O-N 3.16Å; K64-R70 CarbonylContact C-O 3.6Å; K64-R70 HydrophobicContact CD-CB 4.47Å; K64-R70 PolarHBondContact O-N 2.88Å |
| 65 | R | 87.7 | Confident | 89.9 | Confident | 74 Ų | 74 | 58 Ų | 58 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -73 | -45.4 | -170.5 | -168.6 | 177.3 | -170.9 | 97.7 | -10 | 113.4 | Y61 R70 D75 | Y61-R65 VanDerWaalsContact CZ-CD 3.45Å; Y61-R65 VanDerWaalsContact O-CB 3.23Å; Y61-R65 WeakPolarHBondContact O-CB 3.37Å; Y61-R65 PolarHBondContact O-N 3.39Å; Y61-R65 WeakPolarHBondContact OH-CD 3.33Å; Y61-R65 PolarHBondContact OH-NE 3.11Å; R65-R70 WeakPolarHBondContact CA-O 3.35Å; R65-R70 PolarHBondContact N-O 3.09Å; R65-D75 IonicContact CZ-OD2 2.79Å; R65-D75 IonicContact NH1-OD2 3.49Å; R65-D75 PolarHBondContact NH1-OD2 2.96Å |
| 66 | F | 88.9 | Confident | 89.2 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | I | π-helix | trans | -103.3 | -28.7 | -169.2 | -60.1 | -67 | 0 | 0 | 0 | 113.8 | Y61 I62 H69 | Y61-F66 HydrophobicContact CE1-CE2 4.14Å; I62-F66 HydrophobicContact CB-CD2 4.38Å; I62-F66 HydrophobicContact CG1-CD2 4.29Å; I62-F66 HydrophobicContact CG2-CD2 4.28Å; I62-F66 WeakPolarHBondContact O-CB 3.31Å; I62-F66 PolarHBondContact O-N 2.83Å; F66-H69 PolarHBondContact O-CE1 3.4Å; F66-H69 VanDerWaalsContact O-CE1 3.23Å |
| 67 | I | 87.4 | Confident | 88.5 | Confident | 106 Ų | 106 | 60.3 Ų | 60.3 | 54% | 0.544 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -95 | -51.5 | 179.7 | -52.6 | 179.2 | 0 | 0 | 0 | 110.7 | I62 K63 | I62-I67 PolarHBondContact O-N 2.9Å; K63-I67 WeakPolarHBondContact O-CA 3.4Å; K63-I67 VanDerWaalsContact O-CB 3.31Å; K63-I67 WeakPolarHBondContact O-CB 3.5Å; K63-I67 PolarHBondContact O-N 3.41Å |
| 68 | Q | 88 | Confident | 88.1 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -86.5 | -10.9 | -177.5 | -61.9 | -177.8 | -15.6 | 0 | 0 | 113.2 | K63 K64 R70 | K63-Q68 HydrophobicContact CG-CG 4.4Å; K63-Q68 WeakPolarHBondContact O-CG 3.43Å; K63-Q68 PolarHBondContact O-N 2.85Å; K64-Q68 VanDerWaalsContact CD-OE1 3.25Å; K64-Q68 VanDerWaalsContact CE-OE1 3.26Å; K64-Q68 CarbonylContact O-C 3.19Å; Q68-R70 HydrophobicContact CB-CG 4.34Å; Q68-R70 PolarHBondContact O-N 2.96Å |
| 69 | H | 86.4 | Confident | 88 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | trans | 52.5 | 35.7 | -174.7 | -57.9 | -57 | 0 | 0 | 0 | 113.9 | K64 F66 R437 | K64-H69 PolarHBondContact O-N 3.16Å; F66-H69 PolarHBondContact O-CE1 3.4Å; F66-H69 VanDerWaalsContact O-CE1 3.23Å; H69-R437 PolarHBondContact O-NH2 3.3Å | ||
| 70 | R | 88.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | trans | -110.3 | 147.9 | 174.2 | -64.1 | -169.3 | -171.7 | -173.9 | 5.9 | 110.8 | K64 R65 Q68 T438 E657 D658 | K64-R70 CarbonylContact C-O 3.6Å; K64-R70 HydrophobicContact CD-CB 4.47Å; K64-R70 PolarHBondContact O-N 2.88Å; R65-R70 WeakPolarHBondContact CA-O 3.35Å; R65-R70 PolarHBondContact N-O 3.09Å; Q68-R70 HydrophobicContact CB-CG 4.34Å; Q68-R70 PolarHBondContact O-N 2.96Å; R70-T438 VanDerWaalsContact CZ-CG2 3.45Å; R70-T438 PolarHBondContact NH1-OG1 2.94Å; R70-T438 VanDerWaalsContact NH1-OG1 3.16Å; R70-T438 VanDerWaalsContact NH2-CG2 3.34Å; R70-T438 PolarHBondContact NH2-OG1 2.67Å; R70-E657 WeakPolarHBondContact CA-OE2 3.47Å; R70-E657 HydrophobicContact CB-CB 4.38Å; R70-E657 HydrophobicContact CB-CG 4.49Å; R70-E657 WeakPolarHBondContact CB-OE2 3.48Å; R70-D658 IonicContact NH1-OD2 3.89Å; R70-D658 PolarHBondContact NH1-OD2 2.96Å | ||
| 71 | L | 89.9 | Confident | 88.1 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | trans | -72.9 | 141.7 | 170.4 | -67.9 | 173.3 | 0 | 0 | 0 | 109.9 | M115 E657 | L71-M115 HydrophobicContact CD1-CE 3.87Å; L71-M115 HydrophobicContact CD1-SD 3.48Å; L71-M115 WeakPolarHBondContact CD1-SD 3.3Å; L71-E657 HydrophobicContact CB-CG 4.1Å; L71-E657 PolarHBondContact N-OE2 2.74Å | ||
| 72 | P | 91.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | trans | -70.9 | 153.2 | 171.5 | 32.1 | -35.3 | 0 | 0 | 0 | 110.7 | F60 Y61 I74 D75 | F60-P72 HydrophobicContact CE1-CB 3.46Å; F60-P72 VanDerWaalsContact CE1-CB 3.46Å; F60-P72 HydrophobicContact CZ-CB 3.74Å; Y61-P72 HydrophobicContact CD2-CG 4.13Å; Y61-P72 HydrophobicContact CE2-CG 4.15Å; P72-I74 WeakPolarHBondContact CB-O 3.45Å; P72-I74 PolarHBondContact O-N 3.43Å; P72-D75 HydrophobicContact CG-CB 3.75Å | ||
| 73 | F | 90.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -64.4 | -30.6 | 176 | 67.1 | -90 | 0 | 0 | 0 | 111.9 | F60 Y589 R590 M591 D655 A666 Y667 I668 M669 | F60-F73 HydrophobicContact CE1-CD1 4.04Å; F60-F73 AromaticContact CE1-CE1 3.71Å; F60-F73 HydrophobicContact CE1-CE1 3.71Å; F60-F73 AromaticContact CE2-CD1 3.89Å; F60-F73 HydrophobicContact CE2-CD1 3.89Å; F60-F73 AromaticContact CE2-CE1 3.69Å; F60-F73 HydrophobicContact CE2-CE1 3.69Å; F60-F73 AromaticContact CZ-CD1 3.27Å; F60-F73 HydrophobicContact CZ-CD1 3.27Å; F60-F73 AromaticContact CZ-CE1 3.23Å; F60-F73 HydrophobicContact CZ-CE1 3.23Å; F60-F73 HydrophobicContact CZ-CG 4.43Å; F60-F73 HydrophobicContact CZ-CZ 4.4Å; F73-Y589 CarbonylContact O-C 3.58Å; F73-Y589 WeakPolarHBondContact O-CA 3.11Å; F73-R590 PolarHBondContact O-N 2.99Å; F73-M591 HydrophobicContact CB-CG 4.19Å; F73-M591 HydrophobicContact CD2-CE 4.05Å; F73-M591 HydrophobicContact CD2-CG 4.28Å; F73-M591 HydrophobicContact CD2-SD 3.67Å; F73-M591 HydrophobicContact CE2-SD 4.33Å; F73-D655 HydrophobicContact CB-CB 4.39Å; F73-A666 HydrophobicContact CB-CB 4.37Å; F73-A666 VanDerWaalsContact CD1-O 3.3Å; F73-A666 WeakPolarHBondContact CD1-O 3.47Å; F73-Y667 HydrophobicContact CE2-CD2 4.14Å; F73-I668 HydrophobicContact CE1-CD1 4.3Å; F73-I668 HydrophobicContact CE1-CG1 3.58Å; F73-I668 HydrophobicContact CZ-CG1 4.01Å; F73-M669 HydrophobicContact CZ-CG 4.29Å; F73-M669 HydrophobicContact CZ-SD 4.5Å |
| 74 | I | 90.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 123 | 166.5 | -67.6 | 170.7 | 0 | 0 | 0 | 107.1 | Y56 P72 Y589 M591 | Y56-I74 PolarHBondContact OH-O 3Å; P72-I74 WeakPolarHBondContact CB-O 3.45Å; P72-I74 PolarHBondContact O-N 3.43Å; I74-Y589 HydrophobicContact CB-CD1 4.36Å; I74-Y589 HydrophobicContact CD1-CD1 4.37Å; I74-Y589 HydrophobicContact CG1-CD1 3.76Å; I74-Y589 HydrophobicContact CG1-CE1 4.42Å; I74-Y589 HydrophobicContact CG1-CG 4.12Å; I74-Y589 HydrophobicContact CG2-CD1 4.02Å; I74-Y589 HydrophobicContact CG2-CE1 4.02Å; I74-M591 HydrophobicContact CD1-CE 3.96Å; I74-M591 HydrophobicContact CG1-CE 3.98Å |
| 75 | D | 85.7 | Confident | 88.8 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | trans | -100.1 | 96.1 | 174.8 | -165.3 | -31.5 | 0 | 0 | 0 | 110.5 | Y61 R65 P72 V77 S78 | Y61-D75 VanDerWaalsContact CE2-OD1 3.31Å; Y61-D75 WeakPolarHBondContact CE2-OD1 3.39Å; R65-D75 IonicContact CZ-OD2 2.79Å; R65-D75 IonicContact NH1-OD2 3.49Å; R65-D75 PolarHBondContact NH1-OD2 2.96Å; P72-D75 HydrophobicContact CG-CB 3.75Å; D75-V77 PolarHBondContact O-N 2.93Å; D75-V77 VanDerWaalsContact O-N 3.15Å; D75-V77 PolarHBondContact OD1-N 2.87Å; D75-S78 PolarHBondContact OD1-N 3.45Å; D75-S78 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 76 | A | 78.8 | Confident | 89.3 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.8 | 2.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y56 H79 | Y56-A76 HydrophobicContact CE1-CB 3.91Å; Y56-A76 PolarHBondContact OH-N 3.22Å; A76-H79 PolarHBondContact O-NE2 3.44Å |
| 77 | V | 79.4 | Confident | 89.7 | Confident | 96 Ų | 96 | 44.3 Ų | 44.3 | 58% | 0.582 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -116.4 | -43.4 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | Y61 D75 H79 | Y61-V77 HydrophobicContact CE1-CG2 4.04Å; Y61-V77 HydrophobicContact CE2-CB 4.21Å; Y61-V77 HydrophobicContact CE2-CG2 3.95Å; Y61-V77 WeakPolarHBondContact OH-CB 3.31Å; D75-V77 PolarHBondContact O-N 2.93Å; D75-V77 VanDerWaalsContact O-N 3.15Å; D75-V77 PolarHBondContact OD1-N 2.87Å; V77-H79 PolarHBondContact O-N 2.95Å |
| 78 | S | 83.5 | Confident | 90.2 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 45% | 0.448 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -100.9 | 78.9 | -175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | D75 | D75-S78 PolarHBondContact OD1-N 3.45Å; D75-S78 WeakPolarHBondContact OD2-CB 3.48Å |
| 79 | H | 89.3 | Confident | 90.7 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 146.9 | 178 | -60.9 | -72 | 0 | 0 | 0 | 113.7 | P37 F38 A76 V77 P81 E588 | P37-H79 HydrophobicContact CB-CB 3.58Å; P37-H79 HydrophobicContact CG-CB 3.72Å; F38-H79 PolarHBondContact O-CE1 2.72Å; F38-H79 PolarHBondContact O-NE2 3.44Å; A76-H79 PolarHBondContact O-NE2 3.44Å; V77-H79 PolarHBondContact O-N 2.95Å; H79-P81 WeakPolarHBondContact O-CD 3.28Å; H79-E588 WeakPolarHBondContact CA-OE1 3.4Å; H79-E588 WeakPolarHBondContact CB-OE1 3.26Å; H79-E588 IonicContact CG-OE1 3.84Å; H79-E588 IonicContact ND1-OE1 3.18Å; H79-E588 PolarHBondContact ND1-OE1 3.49Å; H79-E588 IonicContact ND1-OE2 3.97Å |
| 80 | V | 90.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 118.4 | 167.6 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | P37 Y118 H587 E588 P952 | P37-V80 WeakPolarHBondContact CG-O 3.18Å; V80-Y118 HydrophobicContact CG1-CD1 4.45Å; V80-Y118 HydrophobicContact CG1-CE1 3.71Å; V80-Y118 HydrophobicContact CG1-CE2 4.17Å; V80-Y118 HydrophobicContact CG2-CE2 4.07Å; V80-Y118 VanDerWaalsContact CG2-OH 3.24Å; V80-Y118 WeakPolarHBondContact CG2-OH 3.5Å; V80-H587 HydrophobicContact CG2-CB 4.34Å; V80-E588 HydrophobicContact CB-CG 4.28Å; V80-E588 HydrophobicContact CG2-CG 3.72Å; V80-E588 PolarHBondContact N-OE1 3.06Å; V80-P952 HydrophobicContact CB-CG 3.68Å; V80-P952 HydrophobicContact CG1-CG 3.66Å; V80-P952 HydrophobicContact CG2-CG 4.5Å |
| 81 | P | 90.5 | Very high | 91.8 | Very high | 60 Ų | 60 | 31.1 Ų | 31.1 | 39% | 0.39 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 146.6 | -175.6 | 29.3 | -35.3 | 0 | 0 | 0 | 111 | H79 R83 | H79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-R83 PolarHBondContact O-N 2.88Å |
| 82 | W | 94 | Very high | 92.2 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 19% | 0.193 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 119.6 | 171.1 | 178.9 | 64.7 | 0 | 0 | 0 | 111.3 | C31 I33 K34 C35 P84 Y933 F949 | C31-W82 HydrophobicContact CB-CH2 4.28Å; C31-W82 HydrophobicContact CB-CZ2 4.03Å; I33-W82 WeakPolarHBondContact O-CZ2 3.42Å; K34-W82 HydrophobicContact CB-CH2 4.24Å; K34-W82 HydrophobicContact CB-CZ3 3.94Å; K34-W82 HydrophobicContact CG-CH2 4.1Å; K34-W82 HydrophobicContact CG-CZ3 3.9Å; C35-W82 HydrophobicContact CB-CD2 4.06Å; C35-W82 HydrophobicContact CB-CG 3.93Å; W82-P84 HydrophobicContact CD2-CG 4.46Å; W82-P84 HydrophobicContact CH2-CB 4.4Å; W82-P84 HydrophobicContact CH2-CG 3.73Å; W82-P84 HydrophobicContact CZ2-CB 3.72Å; W82-P84 HydrophobicContact CZ2-CG 3.54Å; W82-P84 HydrophobicContact CZ3-CG 4.27Å; W82-Y933 PolarHBondContact NE1-O 2.83Å; W82-F949 HydrophobicContact CB-CE1 3.83Å; W82-F949 HydrophobicContact CB-CZ 3.93Å; W82-F949 HydrophobicContact CG-CE1 4.24Å |
| 83 | R | 93.7 | Very high | 92.5 | Very high | 81 Ų | 81 | 28.6 Ų | 28.6 | 31% | 0.306 | 16% | 0.161 | S | C | . | . | trans | -134.5 | 101.3 | 174.3 | -64.9 | -176.1 | -176.1 | -175.6 | 4.6 | 109.1 | P81 I85 Y86 Y118 Q938 | P81-R83 PolarHBondContact O-N 2.88Å; R83-I85 HydrophobicContact CB-CG1 4.25Å; R83-I85 PolarHBondContact O-N 2.94Å; R83-Y86 HydrophobicContact CB-CE2 3.91Å; R83-Y86 WeakPolarHBondContact O-CD2 3.39Å; R83-Y86 WeakPolarHBondContact O-CE2 3.38Å; R83-Y118 PolarHBondContact NH1-O 2.8Å; R83-Q938 PolarHBondContact O-NE2 2.86Å | ||
| 84 | P | 95.3 | Very high | 92.8 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 54.6 | -176.5 | 36.4 | -39.4 | 0 | 0 | 0 | 111.4 | C31 W82 Y102 G934 | C31-P84 WeakPolarHBondContact SG-CB 3.26Å; W82-P84 HydrophobicContact CD2-CG 4.46Å; W82-P84 HydrophobicContact CH2-CB 4.4Å; W82-P84 HydrophobicContact CH2-CG 3.73Å; W82-P84 HydrophobicContact CZ2-CB 3.72Å; W82-P84 HydrophobicContact CZ2-CG 3.54Å; W82-P84 HydrophobicContact CZ3-CG 4.27Å; P84-Y102 WeakPolarHBondContact O-CE1 3.29Å; P84-G934 VanDerWaalsContact CA-O 3.29Å; P84-G934 WeakPolarHBondContact CA-O 3.3Å; P84-G934 VanDerWaalsContact CB-O 3.27Å; P84-G934 WeakPolarHBondContact CB-O 3.44Å |
| 85 | I | 94.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -15.7 | -175.3 | 67.5 | 173.3 | 0 | 0 | 0 | 112.8 | R83 G101 Y102 | R83-I85 HydrophobicContact CB-CG1 4.25Å; R83-I85 PolarHBondContact O-N 2.94Å; I85-G101 CarbonylContact O-C 3.59Å; I85-G101 WeakPolarHBondContact O-CA 3.44Å; I85-Y102 VanDerWaalsContact O-CD1 3.25Å; I85-Y102 WeakPolarHBondContact O-CD1 3.39Å; I85-Y102 PolarHBondContact O-N 3.08Å |
| 86 | Y | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 150.1 | -165.5 | -57.6 | -65.4 | 0 | 0 | 0 | 113.1 | R83 R100 R108 Y118 Q936 Q938 | R83-Y86 HydrophobicContact CB-CE2 3.91Å; R83-Y86 WeakPolarHBondContact O-CD2 3.39Å; R83-Y86 WeakPolarHBondContact O-CE2 3.38Å; Y86-R100 CarbonylContact C-O 3.59Å; Y86-R100 WeakPolarHBondContact CA-O 3.27Å; Y86-R108 HydrophobicContact CD1-CB 4.35Å; Y86-R108 VanDerWaalsContact CD2-NH1 3.25Å; Y86-R108 HydrophobicContact CE1-CB 3.74Å; Y86-R108 HydrophobicContact CE1-CG 4.41Å; Y86-Y118 WeakPolarHBondContact OH-CD1 3.39Å; Y86-Q936 WeakPolarHBondContact O-CG 3.49Å; Y86-Q938 HydrophobicContact CD2-CB 4.16Å; Y86-Q938 VanDerWaalsContact CD2-CD 3.42Å; Y86-Q938 HydrophobicContact CD2-CG 4.11Å |
| 87 | G | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -134 | -162.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P89 R100 Y169 Y937 | G87-P89 WeakPolarHBondContact O-CD 3.35Å; G87-R100 PolarHBondContact N-O 3.05Å; G87-Y169 WeakPolarHBondContact CA-OH 3.33Å; G87-Y937 VanDerWaalsContact C-CD2 3.49Å; G87-Y937 WeakPolarHBondContact O-CB 3.41Å | ||
| 88 | V | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 120.2 | -177.7 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | R100 Y169 Y173 R175 Q193 Y937 | V88-R100 WeakPolarHBondContact O-CB 3.31Å; V88-R100 WeakPolarHBondContact O-CG 3.23Å; V88-Y169 WeakPolarHBondContact CG2-OH 3.24Å; V88-Y169 PolarHBondContact N-OH 2.91Å; V88-Y173 HydrophobicContact CG1-CD2 3.99Å; V88-R175 WeakPolarHBondContact CG2-O 3.49Å; V88-Q193 PolarHBondContact O-NE2 2.81Å; V88-Y937 HydrophobicContact CB-CE1 4.45Å; V88-Y937 HydrophobicContact CG2-CD1 4.43Å; V88-Y937 HydrophobicContact CG2-CE1 3.54Å; V88-Y937 HydrophobicContact CG2-CE2 4.37Å; V88-Y937 VanDerWaalsContact CG2-CZ 3.49Å; V88-Y937 VanDerWaalsContact CG2-OH 3.3Å; V88-Y937 WeakPolarHBondContact CG2-OH 3.2Å |
| 89 | P | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 156.9 | 177.2 | 31 | -37.1 | 0 | 0 | 0 | 111.2 | G87 Y173 S195 D507 | G87-P89 WeakPolarHBondContact O-CD 3.35Å; P89-Y173 HydrophobicContact CG-CE2 4.28Å; P89-S195 PolarHBondContact O-OG 2.85Å; P89-D507 HydrophobicContact CB-CB 4.36Å; P89-D507 HydrophobicContact CG-CB 4.17Å |
| 90 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -101.9 | 144.5 | 171.4 | 57.4 | 170.3 | 0 | 0 | 0 | 112.1 | S97 I98 R100 F106 Q193 S195 A210 F212 I427 W429 | I90-S97 WeakPolarHBondContact O-CA 3.41Å; I90-S97 WeakPolarHBondContact O-CB 3.37Å; I90-I98 HydrophobicContact CD1-CB 4.13Å; I90-I98 HydrophobicContact CG1-CB 3.77Å; I90-I98 HydrophobicContact CG1-CG2 4.43Å; I90-I98 WeakPolarHBondContact CG1-O 3.35Å; I90-I98 PolarHBondContact N-O 3Å; I90-I98 PolarHBondContact O-N 3.35Å; I90-I98 VanDerWaalsContact O-N 3.11Å; I90-R100 HydrophobicContact CG2-CG 4.23Å; I90-F106 HydrophobicContact CD1-CD1 4.31Å; I90-F106 HydrophobicContact CD1-CE1 4.08Å; I90-Q193 HydrophobicContact CG2-CG 3.51Å; I90-S195 WeakPolarHBondContact CA-OG 3.34Å; I90-A210 HydrophobicContact CB-CB 3.66Å; I90-A210 HydrophobicContact CD1-CB 4.32Å; I90-A210 HydrophobicContact CG2-CB 3.75Å; I90-F212 HydrophobicContact CD1-CZ 4.24Å; I90-F212 HydrophobicContact CG2-CE1 4.48Å; I90-F212 HydrophobicContact CG2-CZ 4.38Å; I90-I427 HydrophobicContact CD1-CG2 4.05Å; I90-W429 HydrophobicContact CB-CH2 4.39Å; I90-W429 HydrophobicContact CD1-CH2 4.35Å; I90-W429 HydrophobicContact CD1-CZ3 3.93Å; I90-W429 HydrophobicContact CG1-CH2 4.09Å; I90-W429 HydrophobicContact CG1-CZ3 4.18Å; I90-W429 WeakPolarHBondContact O-CH2 3.47Å |
| 91 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 120.9 | 163.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S195 W429 S506 | G91-S195 PolarHBondContact N-OG 2.79Å; G91-S195 VanDerWaalsContact N-OG 3.13Å; G91-S195 WeakPolarHBondContact O-CB 3.36Å; G91-W429 VanDerWaalsContact CA-CZ2 3.47Å; G91-S506 PolarHBondContact O-OG 2.93Å |
| 92 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -79.1 | 178.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T205 L207 | G92-T205 CarbonylContact C-O 3.55Å; G92-T205 WeakPolarHBondContact CA-O 3.4Å; G92-L207 WeakPolarHBondContact CA-O 3Å; G92-L207 PolarHBondContact N-O 2.92Å | ||
| 93 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 131.2 | 175.2 | -59.2 | -179.2 | 0 | 0 | 0 | 109.7 | S95 V197 T205 C206 L505 W512 F581 W609 | I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 2.81Å; I93-V197 HydrophobicContact CD1-CG1 4.27Å; I93-V197 HydrophobicContact CG1-CG1 4.47Å; I93-T205 HydrophobicContact CB-CG2 3.9Å; I93-T205 HydrophobicContact CD1-CG2 3.47Å; I93-T205 VanDerWaalsContact CD1-CG2 3.47Å; I93-T205 HydrophobicContact CG1-CG2 3.63Å; I93-T205 PolarHBondContact N-O 2.91Å; I93-C206 VanDerWaalsContact O-CA 3.29Å; I93-C206 WeakPolarHBondContact O-CA 3.34Å; I93-L505 HydrophobicContact CD1-CB 3.78Å; I93-L505 HydrophobicContact CD1-CD1 4.18Å; I93-L505 HydrophobicContact CG1-CB 4.09Å; I93-W512 HydrophobicContact CG2-CE3 4.48Å; I93-F581 HydrophobicContact CG2-CE2 3.46Å; I93-F581 VanDerWaalsContact CG2-CE2 3.46Å; I93-F581 HydrophobicContact CG2-CZ 3.92Å; I93-W609 HydrophobicContact CD1-CD2 4.37Å; I93-W609 HydrophobicContact CD1-CE3 4.47Å; I93-W609 HydrophobicContact CD1-CH2 4.16Å; I93-W609 HydrophobicContact CD1-CZ2 4.02Å; I93-W609 HydrophobicContact CD1-CZ3 4.39Å |
| 94 | G | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -3.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | R445 T510 W512 | G94-R445 PolarHBondContact O-NH1 2.79Å; G94-T510 CarbonylContact C-O 3.5Å; G94-T510 WeakPolarHBondContact CA-O 3.17Å; G94-T510 PolarHBondContact N-OG1 3.31Å; G94-W512 PolarHBondContact O-N 2.93Å; G94-W512 VanDerWaalsContact O-N 3.14Å |
| 95 | S | 96.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.007 | 3% | 0.029 | C | C | . | . | B | Isolated β-bridge | trans | -105.2 | 8.8 | 179.8 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | I93 C206 P208 W429 R445 | I93-S95 VanDerWaalsContact C-N 3.31Å; I93-S95 PolarHBondContact O-N 2.81Å; S95-C206 WeakPolarHBondContact CB-O 3.46Å; S95-C206 PolarHBondContact OG-O 2.82Å; S95-P208 WeakPolarHBondContact OG-CA 3.29Å; S95-W429 PolarHBondContact O-NE1 2.84Å; S95-R445 VanDerWaalsContact O-CZ 3.32Å; S95-R445 PolarHBondContact O-NH1 3.09Å |
| 96 | G | 94.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | 75.7 | 148.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S110 W429 | G96-S110 WeakPolarHBondContact CA-O 3.42Å; G96-W429 VanDerWaalsContact O-CZ2 3.28Å; G96-W429 WeakPolarHBondContact O-CZ2 3.41Å; G96-W429 PolarHBondContact O-NE1 3.23Å | ||
| 97 | S | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.023 | C | C | . | . | trans | -125.6 | 164.5 | -177.5 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | I90 S109 S110 S506 D507 | I90-S97 WeakPolarHBondContact O-CA 3.41Å; I90-S97 WeakPolarHBondContact O-CB 3.37Å; S97-S109 WeakPolarHBondContact O-CA 3.43Å; S97-S110 PolarHBondContact N-OG 2.83Å; S97-S110 PolarHBondContact O-N 3.4Å; S97-S110 PolarHBondContact OG-OG 3.16Å; S97-S506 WeakPolarHBondContact CB-O 3.3Å; S97-S506 PolarHBondContact OG-O 3.26Å; S97-D507 WeakPolarHBondContact OG-CA 3.44Å | ||
| 98 | I | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 4.9 Ų | 4.9 | 2% | 0.015 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 115.9 | 171.1 | -56.7 | 176 | 0 | 0 | 0 | 106.9 | I90 F106 L111 W232 W429 | I90-I98 HydrophobicContact CD1-CB 4.13Å; I90-I98 HydrophobicContact CG1-CB 3.77Å; I90-I98 HydrophobicContact CG1-CG2 4.43Å; I90-I98 WeakPolarHBondContact CG1-O 3.35Å; I90-I98 PolarHBondContact N-O 3Å; I90-I98 PolarHBondContact O-N 3.35Å; I90-I98 VanDerWaalsContact O-N 3.11Å; I98-F106 HydrophobicContact CG2-CB 4.39Å; I98-F106 HydrophobicContact CG2-CD1 4.35Å; I98-L111 HydrophobicContact CG1-CD2 4.23Å; I98-W232 HydrophobicContact CD1-CH2 3.85Å; I98-W232 HydrophobicContact CD1-CZ2 3.83Å; I98-W429 HydrophobicContact CD1-CD2 4.01Å; I98-W429 HydrophobicContact CD1-CE3 3.62Å; I98-W429 HydrophobicContact CD1-CZ3 4.03Å; I98-W429 HydrophobicContact CG1-CD2 4.37Å; I98-W429 HydrophobicContact CG1-CE3 4.26Å; I98-W429 HydrophobicContact CG1-CZ3 4.42Å |
| 99 | G | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 157.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C107 R108 | G99-C107 CarbonylContact C-O 3.52Å; G99-C107 WeakPolarHBondContact CA-O 3.37Å; G99-C107 PolarHBondContact N-O 2.98Å; G99-C107 PolarHBondContact O-N 3.38Å; G99-R108 PolarHBondContact N-O 2.96Å |
| 100 | R | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 5.2 Ų | 5.2 | 0% | 0.004 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.2 | 171.7 | -64 | -65.1 | -54.4 | -90.8 | 8.9 | 110.6 | Y86 G87 V88 I90 G104 E105 F106 Y191 | Y86-R100 CarbonylContact C-O 3.59Å; Y86-R100 WeakPolarHBondContact CA-O 3.27Å; G87-R100 PolarHBondContact N-O 3.05Å; V88-R100 WeakPolarHBondContact O-CB 3.31Å; V88-R100 WeakPolarHBondContact O-CG 3.23Å; I90-R100 HydrophobicContact CG2-CG 4.23Å; R100-G104 PolarHBondContact NH2-O 3.2Å; R100-E105 CarbonylContact C-O 3.52Å; R100-E105 VanDerWaalsContact CA-O 3.25Å; R100-E105 WeakPolarHBondContact CA-O 3.49Å; R100-E105 PolarHBondContact NE-O 3.03Å; R100-E105 VanDerWaalsContact NE-O 3.11Å; R100-F106 VanDerWaalsContact CD-CD1 3.44Å; R100-Y191 PolarHBondContact NH2-OH 3.17Å |
| 101 | G | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 149.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I85 R103 G104 E105 | I85-G101 CarbonylContact O-C 3.59Å; I85-G101 WeakPolarHBondContact O-CA 3.44Å; G101-R103 PolarHBondContact O-N 2.86Å; G101-R103 VanDerWaalsContact O-N 3.12Å; G101-G104 PolarHBondContact O-N 2.81Å; G101-E105 WeakPolarHBondContact CA-OE2 3.4Å; G101-E105 PolarHBondContact N-O 2.91Å |
| 102 | Y | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.4 | 175.2 | 73.9 | -100.1 | 0 | 0 | 0 | 112.5 | W23 A25 R26 F27 H29 P84 I85 G104 Y169 | W23-Y102 AromaticContact CH2-CD1 3.99Å; W23-Y102 HydrophobicContact CH2-CD1 3.99Å; W23-Y102 HydrophobicContact CH2-CE1 4.46Å; W23-Y102 HydrophobicContact CH2-CG 4.28Å; W23-Y102 HydrophobicContact CZ3-CD1 4.2Å; W23-Y102 HydrophobicContact CZ3-CG 4.14Å; A25-Y102 HydrophobicContact CB-CD2 3.88Å; A25-Y102 HydrophobicContact CB-CE2 4.1Å; A25-Y102 HydrophobicContact CB-CG 4.27Å; R26-Y102 WeakPolarHBondContact O-CE2 3.47Å; F27-Y102 WeakPolarHBondContact CE1-O 3.3Å; H29-Y102 HydrophobicContact CB-CE2 4.32Å; H29-Y102 PolarHBondContact O-OH 3.16Å; H29-Y102 VanDerWaalsContact O-OH 3.07Å; P84-Y102 WeakPolarHBondContact O-CE1 3.29Å; I85-Y102 VanDerWaalsContact O-CD1 3.25Å; I85-Y102 WeakPolarHBondContact O-CD1 3.39Å; I85-Y102 PolarHBondContact O-N 3.08Å; Y102-G104 VanDerWaalsContact C-N 3.34Å; Y102-Y169 VanDerWaalsContact O-CB 3.22Å; Y102-Y169 WeakPolarHBondContact O-CB 3.24Å; Y102-Y169 WeakPolarHBondContact O-CD2 3.32Å |
| 103 | R | 96 | Very high | 95.8 | Very high | 65 Ų | 65 | 6 Ų | 6 | 25% | 0.245 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.7 | 175.2 | -53 | 173.5 | -177.2 | -169.5 | -9.3 | 112.8 | F27 H29 G101 E105 P144 | F27-R103 HydrophobicContact CB-CG 4.3Å; F27-R103 HydrophobicContact CD1-CB 4.37Å; F27-R103 HydrophobicContact CD1-CG 4.26Å; F27-R103 HydrophobicContact CD2-CB 4.45Å; F27-R103 HydrophobicContact CG-CB 4.3Å; F27-R103 HydrophobicContact CG-CG 4.2Å; F27-R103 PolarHBondContact O-NE 3.2Å; F27-R103 PolarHBondContact O-NH2 2.85Å; F27-R103 VanDerWaalsContact O-NH2 3.17Å; H29-R103 PolarHBondContact O-NH2 3Å; G101-R103 PolarHBondContact O-N 2.86Å; G101-R103 VanDerWaalsContact O-N 3.12Å; R103-E105 WeakPolarHBondContact CB-OE2 3.16Å; R103-E105 PolarHBondContact N-OE2 3.36Å; R103-P144 HydrophobicContact CB-CG 3.78Å; R103-P144 HydrophobicContact CG-CG 4.18Å |
| 104 | G | 92.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 6.2 Ų | 6.2 | 8% | 0.082 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 96.2 | -3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R100 G101 Y102 | R100-G104 PolarHBondContact NH2-O 3.2Å; G101-G104 PolarHBondContact O-N 2.81Å; Y102-G104 VanDerWaalsContact C-N 3.34Å |
| 105 | E | 94 | Very high | 95.3 | Very high | 11 Ų | 11 | 7.6 Ų | 7.6 | 5% | 0.051 | 4% | 0.038 | C | C | . | . | trans | -62.1 | 145.9 | -179 | -57.9 | 90.7 | 160.3 | 0 | 0 | 112.3 | R100 G101 R103 V120 | R100-E105 CarbonylContact C-O 3.52Å; R100-E105 VanDerWaalsContact CA-O 3.25Å; R100-E105 WeakPolarHBondContact CA-O 3.49Å; R100-E105 PolarHBondContact NE-O 3.03Å; R100-E105 VanDerWaalsContact NE-O 3.11Å; G101-E105 WeakPolarHBondContact CA-OE2 3.4Å; G101-E105 PolarHBondContact N-O 2.91Å; R103-E105 WeakPolarHBondContact CB-OE2 3.16Å; R103-E105 PolarHBondContact N-OE2 3.36Å; E105-V120 HydrophobicContact CB-CG1 4.03Å; E105-V120 HydrophobicContact CB-CG2 4.08Å; E105-V120 HydrophobicContact CG-CG1 4.13Å; E105-V120 HydrophobicContact CG-CG2 4.23Å | ||
| 106 | F | 95.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 8.9 Ų | 8.9 | 3% | 0.026 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.6 | 160.8 | -63.5 | -90 | 0 | 0 | 0 | 108 | I90 I98 R100 V120 D124 F126 F212 F230 W232 | I90-F106 HydrophobicContact CD1-CD1 4.31Å; I90-F106 HydrophobicContact CD1-CE1 4.08Å; I98-F106 HydrophobicContact CG2-CB 4.39Å; I98-F106 HydrophobicContact CG2-CD1 4.35Å; R100-F106 VanDerWaalsContact CD-CD1 3.44Å; F106-V120 WeakPolarHBondContact O-CA 3.1Å; F106-D124 HydrophobicContact CB-CB 4.22Å; F106-D124 HydrophobicContact CD2-CB 3.78Å; F106-D124 HydrophobicContact CG-CB 4.27Å; F106-F126 HydrophobicContact CE2-CE2 4.38Å; F106-F126 HydrophobicContact CZ-CE2 4.06Å; F106-F212 HydrophobicContact CE1-CE2 4.46Å; F106-F212 AromaticContact CE1-CZ 3.86Å; F106-F212 HydrophobicContact CE1-CZ 3.86Å; F106-F212 HydrophobicContact CZ-CE2 4.42Å; F106-F212 HydrophobicContact CZ-CZ 4.04Å; F106-F230 HydrophobicContact CE1-CZ 4.42Å; F106-F230 AromaticContact CE2-CE2 3.93Å; F106-F230 HydrophobicContact CE2-CE2 3.93Å; F106-F230 HydrophobicContact CE2-CZ 4.47Å; F106-F230 AromaticContact CZ-CE2 3.72Å; F106-F230 HydrophobicContact CZ-CE2 3.72Å; F106-F230 AromaticContact CZ-CZ 3.83Å; F106-F230 HydrophobicContact CZ-CZ 3.83Å; F106-W232 HydrophobicContact CB-CH2 4.43Å; F106-W232 HydrophobicContact CB-CZ3 4.21Å; F106-W232 AromaticContact CD1-CH2 3.92Å; F106-W232 HydrophobicContact CD1-CH2 3.92Å; F106-W232 AromaticContact CD1-CZ3 3.52Å; F106-W232 HydrophobicContact CD1-CZ3 3.52Å; F106-W232 AromaticContact CD2-CZ3 3.99Å; F106-W232 HydrophobicContact CD2-CZ3 3.99Å; F106-W232 HydrophobicContact CE1-CH2 4.38Å; F106-W232 AromaticContact CE1-CZ3 3.74Å; F106-W232 HydrophobicContact CE1-CZ3 3.74Å; F106-W232 HydrophobicContact CE2-CZ3 4.2Å; F106-W232 HydrophobicContact CG-CH2 4.21Å; F106-W232 AromaticContact CG-CZ3 3.64Å; F106-W232 HydrophobicContact CG-CZ3 3.64Å; F106-W232 HydrophobicContact CZ-CZ3 4.07Å |
| 107 | C | 94.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 3% | 0.027 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 176.5 | -169.7 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | G99 S109 V120 | G99-C107 CarbonylContact C-O 3.52Å; G99-C107 WeakPolarHBondContact CA-O 3.37Å; G99-C107 PolarHBondContact N-O 2.98Å; G99-C107 PolarHBondContact O-N 3.38Å; C107-S109 PolarHBondContact O-N 3.15Å; C107-V120 HydrophobicContact CB-CG2 3.87Å |
| 108 | R | 94.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 11 Ų | 11 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 41.5 | 67.4 | 172.8 | -168.6 | 178.4 | 72.5 | -163 | 4.1 | 113.2 | Y86 G99 Y116 S117 Y118 D507 Y937 | Y86-R108 HydrophobicContact CD1-CB 4.35Å; Y86-R108 VanDerWaalsContact CD2-NH1 3.25Å; Y86-R108 HydrophobicContact CE1-CB 3.74Å; Y86-R108 HydrophobicContact CE1-CG 4.41Å; G99-R108 PolarHBondContact N-O 2.96Å; R108-Y116 HydrophobicContact CG-CD1 4.07Å; R108-S117 CarbonylContact C-O 3.58Å; R108-S117 WeakPolarHBondContact CA-O 3.39Å; R108-S117 PolarHBondContact N-O 3.17Å; R108-S117 VanDerWaalsContact N-O 3.15Å; R108-Y118 HydrophobicContact CB-CD1 4.06Å; R108-Y118 HydrophobicContact CB-CE1 4.5Å; R108-Y118 HydrophobicContact CG-CD1 3.69Å; R108-Y118 HydrophobicContact CG-CE1 3.63Å; R108-D507 IonicContact CZ-OD1 2.67Å; R108-D507 IonicContact CZ-OD2 3.83Å; R108-D507 IonicContact NE-OD1 3.68Å; R108-D507 PolarHBondContact NE-OD1 3.17Å; R108-D507 IonicContact NE-OD2 3.9Å; R108-D507 PolarHBondContact NE-OD2 2.89Å; R108-D507 IonicContact NH1-OD2 2.59Å; R108-D507 IonicContact NH2-OD1 2.69Å; R108-D507 PolarHBondContact NH2-OD1 3.05Å; R108-D507 IonicContact NH2-OD2 3.13Å; R108-D507 PolarHBondContact NH2-OD2 3Å; R108-Y937 VanDerWaalsContact CZ-O 3.23Å; R108-Y937 PolarHBondContact NH1-O 3.31Å; R108-Y937 PolarHBondContact NH2-O 3.28Å |
| 109 | S | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 144.3 | 176.3 | 61.6 | 0 | 0 | 0 | 0 | 112 | S97 C107 Y116 S117 P235 H237 | S97-S109 WeakPolarHBondContact O-CA 3.43Å; C107-S109 PolarHBondContact O-N 3.15Å; S109-Y116 CarbonylContact O-C 3.49Å; S109-Y116 WeakPolarHBondContact O-CA 3.47Å; S109-S117 PolarHBondContact N-O 3.07Å; S109-S117 PolarHBondContact O-N 3.35Å; S109-P235 WeakPolarHBondContact OG-CB 3.35Å; S109-P235 WeakPolarHBondContact OG-CG 3.31Å; S109-H237 PolarHBondContact O-CE1 3.48Å; S109-H237 PolarHBondContact OG-NE2 2.99Å |
| 110 | S | 95.4 | Very high | 94 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 4% | 0.035 | 8% | 0.079 | C | C | . | . | trans | -125.3 | 54.7 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | G96 S97 M115 | G96-S110 WeakPolarHBondContact CA-O 3.42Å; S97-S110 PolarHBondContact N-OG 2.83Å; S97-S110 PolarHBondContact O-N 3.4Å; S97-S110 PolarHBondContact OG-OG 3.16Å; S110-M115 WeakPolarHBondContact CA-O 3.42Å | ||
| 111 | L | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | trans | -83.2 | -33.8 | -173.7 | -58.4 | -173.8 | 0 | 0 | 0 | 113.5 | I98 P235 I296 L300 F304 W429 R445 | I98-L111 HydrophobicContact CG1-CD2 4.23Å; L111-P235 HydrophobicContact CD1-CG 3.58Å; L111-P235 HydrophobicContact CG-CG 4.41Å; L111-I296 HydrophobicContact CB-CD1 4.33Å; L111-I296 HydrophobicContact CD1-CD1 3.65Å; L111-L300 HydrophobicContact CB-CD2 4.24Å; L111-L300 VanDerWaalsContact O-CD2 3.23Å; L111-L300 WeakPolarHBondContact O-CD2 3.37Å; L111-F304 HydrophobicContact CD1-CE1 4.06Å; L111-F304 HydrophobicContact CD1-CZ 3.96Å; L111-W429 HydrophobicContact CD1-CB 4.43Å; L111-W429 HydrophobicContact CD2-CD2 4.45Å; L111-W429 HydrophobicContact CD2-CG 3.96Å; L111-R445 PolarHBondContact O-NH2 2.91Å | ||
| 112 | I | 95.4 | Very high | 93 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -88.3 | 129.9 | 173.4 | -66.9 | 156.5 | 0 | 0 | 0 | 107.2 | G114 M115 H237 I296 E299 L300 | I112-G114 PolarHBondContact O-N 3.35Å; I112-M115 HydrophobicContact CB-CB 3.95Å; I112-M115 HydrophobicContact CB-CG 4.35Å; I112-M115 HydrophobicContact CG2-CB 3.96Å; I112-M115 HydrophobicContact CG2-CG 3.8Å; I112-M115 PolarHBondContact O-N 2.83Å; I112-H237 HydrophobicContact CD1-CB 3.91Å; I112-I296 HydrophobicContact CD1-CG2 3.93Å; I112-E299 HydrophobicContact CD1-CG 3.95Å; I112-E299 WeakPolarHBondContact CD1-OE1 3.34Å; I112-E299 HydrophobicContact CG1-CG 4.31Å; I112-E299 WeakPolarHBondContact CG2-OE1 3.47Å; I112-L300 HydrophobicContact CB-CD2 4.49Å; I112-L300 HydrophobicContact CD1-CB 4.47Å; I112-L300 HydrophobicContact CG1-CB 3.81Å; I112-L300 HydrophobicContact CG1-CD2 3.67Å; I112-L300 HydrophobicContact CG1-CG 4.37Å |
| 113 | P | 95.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 16.2 Ų | 16.2 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 126.4 | 178.4 | -28.8 | 35.4 | 0 | 0 | 0 | 112.1 | M115 V434 F436 V511 | P113-M115 VanDerWaalsContact C-N 3.3Å; P113-M115 PolarHBondContact O-N 3.47Å; P113-V434 HydrophobicContact CG-CB 4.12Å; P113-V434 HydrophobicContact CG-CG1 4.44Å; P113-V434 HydrophobicContact CG-CG2 4.46Å; P113-F436 HydrophobicContact CB-CD1 3.79Å; P113-F436 HydrophobicContact CB-CE1 3.63Å; P113-F436 HydrophobicContact CG-CE1 4.41Å; P113-V511 HydrophobicContact CB-CG1 4.1Å; P113-V511 HydrophobicContact CG-CG1 4.29Å |
| 114 | G | 93.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 5.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | I112 R590 Y592 P656 | I112-G114 PolarHBondContact O-N 3.35Å; G114-R590 PolarHBondContact O-NE 2.91Å; G114-R590 PolarHBondContact O-NH2 2.82Å; G114-Y592 PolarHBondContact N-OH 2.92Å; G114-P656 VanDerWaalsContact CA-CG 3.49Å |
| 115 | M | 93 | Very high | 93 | Very high | 31 Ų | 31 | 13.1 Ų | 13.1 | 15% | 0.153 | 7% | 0.068 | C | C | . | . | trans | -126.3 | 130.5 | -172.2 | -67.8 | -57.6 | -55.2 | 0 | 0 | 112.6 | L71 S110 I112 P113 H237 R240 | L71-M115 HydrophobicContact CD1-CE 3.87Å; L71-M115 HydrophobicContact CD1-SD 3.48Å; L71-M115 WeakPolarHBondContact CD1-SD 3.3Å; S110-M115 WeakPolarHBondContact CA-O 3.42Å; I112-M115 HydrophobicContact CB-CB 3.95Å; I112-M115 HydrophobicContact CB-CG 4.35Å; I112-M115 HydrophobicContact CG2-CB 3.96Å; I112-M115 HydrophobicContact CG2-CG 3.8Å; I112-M115 PolarHBondContact O-N 2.83Å; P113-M115 VanDerWaalsContact C-N 3.3Å; P113-M115 PolarHBondContact O-N 3.47Å; M115-H237 PolarHBondContact O-CE1 2.92Å; M115-R240 HydrophobicContact CE-CG 4.45Å | ||
| 116 | Y | 93.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 13 Ų | 13 | 11% | 0.106 | 7% | 0.067 | C | C | . | . | trans | -106.7 | 141.2 | 175 | -69.8 | -93.1 | 0 | 0 | 0 | 112 | R108 S109 D507 G508 G509 L584 H587 | R108-Y116 HydrophobicContact CG-CD1 4.07Å; S109-Y116 CarbonylContact O-C 3.49Å; S109-Y116 WeakPolarHBondContact O-CA 3.47Å; Y116-D507 VanDerWaalsContact CE1-O 3.32Å; Y116-D507 WeakPolarHBondContact CE1-O 3.15Å; Y116-D507 PolarHBondContact OH-O 2.88Å; Y116-G508 VanDerWaalsContact OH-C 3.29Å; Y116-G509 WeakPolarHBondContact OH-CA 3.17Å; Y116-G509 PolarHBondContact OH-N 2.94Å; Y116-L584 HydrophobicContact CE2-CD1 3.88Å; Y116-H587 HydrophobicContact CD2-CB 4.45Å; Y116-H587 AromaticContact CE1-CD2 3.51Å; Y116-H587 AromaticContact CE1-CE1 3.85Å; Y116-H587 AromaticContact CE1-CG 3.99Å; Y116-H587 AromaticContact CE1-NE2 3.39Å; Y116-H587 WeakPolarHBondContact CE1-NE2 3.29Å; Y116-H587 HydrophobicContact CE2-CB 4.24Å; Y116-H587 AromaticContact CE2-CD2 3.73Å; Y116-H587 AromaticContact CZ-CD2 3.14Å; Y116-H587 AromaticContact CZ-CG 3.82Å; Y116-H587 AromaticContact CZ-NE2 3.48Å; Y116-H587 PolarHBondContact OH-CD2 3.32Å; Y116-H587 PolarHBondContact OH-NE2 2.75Å | ||
| 117 | S | 92.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 6% | 0.056 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -118.4 | 108.2 | 163.6 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | R108 S109 D119 N236 H237 | R108-S117 CarbonylContact C-O 3.58Å; R108-S117 WeakPolarHBondContact CA-O 3.39Å; R108-S117 PolarHBondContact N-O 3.17Å; R108-S117 VanDerWaalsContact N-O 3.15Å; S109-S117 PolarHBondContact N-O 3.07Å; S109-S117 PolarHBondContact O-N 3.35Å; S117-D119 VanDerWaalsContact C-N 3.25Å; S117-D119 PolarHBondContact O-N 2.91Å; S117-N236 PolarHBondContact OG-O 2.98Å; S117-H237 PolarHBondContact N-CE1 3.32Å |
| 118 | Y | 91.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 12.5 Ų | 12.5 | 15% | 0.145 | 7% | 0.065 | C | C | . | . | trans | -82.3 | -0.3 | -179.6 | -59.6 | -82.3 | 0 | 0 | 0 | 113.7 | V80 R83 Y86 R108 H587 | V80-Y118 HydrophobicContact CG1-CD1 4.45Å; V80-Y118 HydrophobicContact CG1-CE1 3.71Å; V80-Y118 HydrophobicContact CG1-CE2 4.17Å; V80-Y118 HydrophobicContact CG2-CE2 4.07Å; V80-Y118 VanDerWaalsContact CG2-OH 3.24Å; V80-Y118 WeakPolarHBondContact CG2-OH 3.5Å; R83-Y118 PolarHBondContact NH1-O 2.8Å; Y86-Y118 WeakPolarHBondContact OH-CD1 3.39Å; R108-Y118 HydrophobicContact CB-CD1 4.06Å; R108-Y118 HydrophobicContact CB-CE1 4.5Å; R108-Y118 HydrophobicContact CG-CD1 3.69Å; R108-Y118 HydrophobicContact CG-CE1 3.63Å; Y118-H587 WeakPolarHBondContact OH-CB 3.49Å | ||
| 119 | D | 85.5 | Confident | 93.8 | Very high | 65 Ų | 65 | 12.5 Ų | 12.5 | 35% | 0.348 | 7% | 0.065 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 127.4 | -173.1 | -71.1 | -22.1 | 0 | 0 | 0 | 111.2 | S117 | S117-D119 VanDerWaalsContact C-N 3.25Å; S117-D119 PolarHBondContact O-N 2.91Å |
| 120 | V | 88.5 | Confident | 93.9 | Very high | 37 Ų | 37 | 12.4 Ų | 12.4 | 22% | 0.224 | 6% | 0.064 | C | C | . | . | P | Polyproline II helix | trans | -72 | 131.6 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 109 | E105 F106 C107 P122 | E105-V120 HydrophobicContact CB-CG1 4.03Å; E105-V120 HydrophobicContact CB-CG2 4.08Å; E105-V120 HydrophobicContact CG-CG1 4.13Å; E105-V120 HydrophobicContact CG-CG2 4.23Å; F106-V120 WeakPolarHBondContact O-CA 3.1Å; C107-V120 HydrophobicContact CB-CG2 3.87Å; V120-P122 WeakPolarHBondContact O-CD 3.29Å |
| 121 | Q | 86.9 | Confident | 93.9 | Very high | 10 Ų | 10 | 12.5 Ų | 12.5 | 5% | 0.047 | 6% | 0.064 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 117.1 | 170.9 | -62.6 | -53.9 | -52.6 | 0 | 0 | 110.2 | V123 D124 G234 N236 | Q121-V123 PolarHBondContact O-N 3.09Å; Q121-D124 HydrophobicContact CB-CB 4.1Å; Q121-D124 VanDerWaalsContact CB-CG 3.49Å; Q121-D124 WeakPolarHBondContact CB-OD2 3.35Å; Q121-D124 PolarHBondContact O-N 2.88Å; Q121-G234 VanDerWaalsContact CG-O 3.29Å; Q121-G234 WeakPolarHBondContact CG-O 3.43Å; Q121-N236 PolarHBondContact OE1-ND2 3.12Å |
| 122 | P | 86.9 | Confident | 93.8 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.026 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.3 | -174.2 | -30.5 | 41.4 | 0 | 0 | 0 | 115.1 | V120 Q125 P149 A152 L155 W160 | V120-P122 WeakPolarHBondContact O-CD 3.29Å; P122-Q125 WeakPolarHBondContact O-CG 3.29Å; P122-P149 HydrophobicContact CB-CG 4.21Å; P122-P149 HydrophobicContact CG-CB 3.77Å; P122-P149 HydrophobicContact CG-CG 3.74Å; P122-A152 HydrophobicContact CB-CB 3.38Å; P122-A152 HydrophobicContact CG-CB 3.59Å; P122-L155 HydrophobicContact CB-CD1 3.65Å; P122-L155 WeakPolarHBondContact O-CD1 3.23Å; P122-W160 WeakPolarHBondContact O-CH2 3.46Å |
| 123 | V | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -14.4 | -177.4 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | Q121 Q125 L155 W158 S231 H233 F322 F324 A398 | Q121-V123 PolarHBondContact O-N 3.09Å; V123-Q125 PolarHBondContact O-N 2.87Å; V123-L155 HydrophobicContact CB-CD1 4.13Å; V123-L155 HydrophobicContact CG2-CD2 4.36Å; V123-W158 HydrophobicContact CG2-CH2 3.93Å; V123-S231 WeakPolarHBondContact O-CB 3.4Å; V123-S231 PolarHBondContact O-OG 3.4Å; V123-H233 HydrophobicContact CG1-CB 3.41Å; V123-H233 VanDerWaalsContact CG1-CB 3.41Å; V123-F322 HydrophobicContact CG2-CE2 3.65Å; V123-F322 HydrophobicContact CG2-CZ 3.49Å; V123-F322 VanDerWaalsContact CG2-CZ 3.49Å; V123-F324 HydrophobicContact CB-CD1 4.39Å; V123-F324 HydrophobicContact CB-CD2 3.96Å; V123-F324 HydrophobicContact CB-CE1 4.46Å; V123-F324 HydrophobicContact CB-CE2 4.03Å; V123-F324 HydrophobicContact CB-CG 4.15Å; V123-F324 HydrophobicContact CB-CZ 4.29Å; V123-F324 HydrophobicContact CG1-CD1 4.3Å; V123-F324 HydrophobicContact CG1-CD2 4.17Å; V123-F324 HydrophobicContact CG1-CE1 3.9Å; V123-F324 HydrophobicContact CG1-CE2 3.75Å; V123-F324 HydrophobicContact CG1-CG 4.43Å; V123-F324 HydrophobicContact CG1-CZ 3.6Å; V123-F324 HydrophobicContact CG2-CB 4.41Å; V123-F324 HydrophobicContact CG2-CD1 4.1Å; V123-F324 HydrophobicContact CG2-CD2 4.36Å; V123-F324 HydrophobicContact CG2-CE1 4.5Å; V123-F324 HydrophobicContact CG2-CG 4.04Å; V123-A398 HydrophobicContact CG1-CB 4.17Å; V123-A398 HydrophobicContact CG2-CB 3.69Å |
| 124 | D | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -80.4 | 91.7 | -179.9 | -62.9 | -2.3 | 0 | 0 | 0 | 107.8 | F106 Q121 S231 W232 H233 G234 | F106-D124 HydrophobicContact CB-CB 4.22Å; F106-D124 HydrophobicContact CD2-CB 3.78Å; F106-D124 HydrophobicContact CG-CB 4.27Å; Q121-D124 HydrophobicContact CB-CB 4.1Å; Q121-D124 VanDerWaalsContact CB-CG 3.49Å; Q121-D124 WeakPolarHBondContact CB-OD2 3.35Å; Q121-D124 PolarHBondContact O-N 2.88Å; D124-S231 WeakPolarHBondContact CA-O 3.34Å; D124-W232 HydrophobicContact CB-CE3 3.91Å; D124-W232 HydrophobicContact CB-CZ3 4.02Å; D124-H233 PolarHBondContact OD1-N 3.49Å; D124-G234 PolarHBondContact OD1-N 3.03Å; D124-G234 VanDerWaalsContact OD1-N 3.11Å; D124-G234 WeakPolarHBondContact OD2-CA 3.46Å; D124-G234 PolarHBondContact OD2-N 2.87Å; D124-G234 VanDerWaalsContact OD2-N 3.08Å | ||
| 125 | Q | 96.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.4 | -168.5 | -65 | -62.7 | -35.2 | 0 | 0 | 112.4 | P122 V123 V141 W158 W160 S231 | P122-Q125 WeakPolarHBondContact O-CG 3.29Å; V123-Q125 PolarHBondContact O-N 2.87Å; Q125-V141 HydrophobicContact CB-CG1 4.09Å; Q125-V141 HydrophobicContact CG-CG1 3.95Å; Q125-W158 HydrophobicContact CB-CZ3 4.37Å; Q125-W158 HydrophobicContact CG-CZ3 4.31Å; Q125-W160 HydrophobicContact CG-CH2 3.82Å; Q125-W160 HydrophobicContact CG-CZ3 4.38Å; Q125-S231 PolarHBondContact N-O 3.2Å; Q125-S231 PolarHBondContact N-OG 2.73Å; Q125-S231 PolarHBondContact O-N 2.9Å; Q125-S231 PolarHBondContact O-OG 2.83Å |
| 126 | F | 98.5 | Very high | 93.4 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137 | 158.1 | -69.3 | -77.6 | 0 | 0 | 0 | 110.4 | F106 L142 F212 W214 I228 T229 F230 | F106-F126 HydrophobicContact CE2-CE2 4.38Å; F106-F126 HydrophobicContact CZ-CE2 4.06Å; F126-L142 HydrophobicContact CB-CB 4.43Å; F126-L142 HydrophobicContact CB-CD1 4.11Å; F126-L142 WeakPolarHBondContact O-CB 3.45Å; F126-L142 PolarHBondContact O-N 2.59Å; F126-F212 HydrophobicContact CE2-CD1 4.4Å; F126-F212 HydrophobicContact CE2-CG 4.33Å; F126-F212 HydrophobicContact CZ-CB 4.02Å; F126-F212 HydrophobicContact CZ-CD1 4.21Å; F126-F212 AromaticContact CZ-CD2 3.71Å; F126-F212 HydrophobicContact CZ-CD2 3.71Å; F126-F212 HydrophobicContact CZ-CE2 4.21Å; F126-F212 AromaticContact CZ-CG 3.69Å; F126-F212 HydrophobicContact CZ-CG 3.69Å; F126-W214 HydrophobicContact CB-CH2 4.15Å; F126-W214 HydrophobicContact CB-CZ2 4.03Å; F126-W214 HydrophobicContact CD1-CH2 4.41Å; F126-W214 AromaticContact CD1-CZ2 3.49Å; F126-W214 HydrophobicContact CD1-CZ2 3.49Å; F126-W214 VanDerWaalsContact CD1-CZ2 3.49Å; F126-W214 AromaticContact CD2-CZ2 3.91Å; F126-W214 HydrophobicContact CD2-CZ2 3.91Å; F126-W214 AromaticContact CE1-CZ2 3.82Å; F126-W214 HydrophobicContact CE1-CZ2 3.82Å; F126-W214 AromaticContact CE1-NE1 3.81Å; F126-W214 HydrophobicContact CE2-CZ2 4.22Å; F126-W214 HydrophobicContact CG-CH2 4.14Å; F126-W214 AromaticContact CG-CZ2 3.53Å; F126-W214 HydrophobicContact CG-CZ2 3.53Å; F126-W214 HydrophobicContact CZ-CZ2 4.18Å; F126-I228 HydrophobicContact CD1-CG2 4.03Å; F126-T229 CarbonylContact C-O 3.53Å; F126-T229 VanDerWaalsContact CA-O 3.31Å; F126-T229 WeakPolarHBondContact CA-O 3.41Å; F126-F230 HydrophobicContact CD1-CB 3.92Å; F126-F230 HydrophobicContact CD1-CD2 4.09Å; F126-F230 HydrophobicContact CD1-CG 4.11Å; F126-F230 HydrophobicContact CE1-CB 3.61Å; F126-F230 AromaticContact CE1-CD1 3.98Å; F126-F230 HydrophobicContact CE1-CD1 3.98Å; F126-F230 AromaticContact CE1-CD2 3.71Å; F126-F230 HydrophobicContact CE1-CD2 3.71Å; F126-F230 HydrophobicContact CE1-CE2 4.37Å; F126-F230 AromaticContact CE1-CG 3.5Å; F126-F230 HydrophobicContact CE1-CG 3.5Å; F126-F230 VanDerWaalsContact CE1-CG 3.5Å; F126-F230 HydrophobicContact CE2-CD2 4.33Å; F126-F230 HydrophobicContact CE2-CE2 4.32Å; F126-F230 HydrophobicContact CZ-CB 4.49Å; F126-F230 HydrophobicContact CZ-CD1 4.12Å; F126-F230 AromaticContact CZ-CD2 3.83Å; F126-F230 HydrophobicContact CZ-CD2 3.83Å; F126-F230 HydrophobicContact CZ-CE1 4.27Å; F126-F230 HydrophobicContact CZ-CE2 4.02Å; F126-F230 AromaticContact CZ-CG 3.9Å; F126-F230 HydrophobicContact CZ-CG 3.9Å; F126-F230 HydrophobicContact CZ-CZ 4.23Å |
| 127 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.4 | 178.2 | -57.7 | 168.5 | 0 | 0 | 0 | 107.6 | Q140 V141 W158 I228 T229 W366 L369 | I127-Q140 WeakPolarHBondContact CA-O 3.48Å; I127-Q140 WeakPolarHBondContact CG2-O 3.44Å; I127-V141 HydrophobicContact CG1-CG2 4.31Å; I127-W158 HydrophobicContact CD1-CE3 4.23Å; I127-W158 HydrophobicContact CD1-CH2 4.15Å; I127-W158 HydrophobicContact CD1-CZ3 4Å; I127-I228 CarbonylContact O-C 3.6Å; I127-I228 WeakPolarHBondContact O-CA 3.29Å; I127-T229 PolarHBondContact N-O 2.83Å; I127-T229 PolarHBondContact O-N 2.76Å; I127-W366 HydrophobicContact CD1-CE3 4.4Å; I127-W366 HydrophobicContact CD1-CZ3 4.19Å; I127-W366 HydrophobicContact CG2-CH2 4.44Å; I127-W366 HydrophobicContact CG2-CZ3 3.9Å; I127-L369 HydrophobicContact CD1-CD1 4.24Å |
| 128 | V | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.6 | 171.6 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | V130 Y138 H139 Q140 L142 I182 L189 V226 T227 I228 | V128-V130 HydrophobicContact CG2-CG2 3.82Å; V128-Y138 HydrophobicContact CG1-CD1 3.85Å; V128-Y138 HydrophobicContact CG1-CE1 3.6Å; V128-H139 CarbonylContact O-C 3.58Å; V128-H139 VanDerWaalsContact O-CA 3.3Å; V128-H139 WeakPolarHBondContact O-CA 3.45Å; V128-Q140 HydrophobicContact CG1-CB 4.12Å; V128-Q140 PolarHBondContact N-O 3.04Å; V128-Q140 PolarHBondContact O-N 3.23Å; V128-L142 HydrophobicContact CB-CD1 4.43Å; V128-L142 HydrophobicContact CB-CD2 4.32Å; V128-L142 HydrophobicContact CB-CG 4.45Å; V128-L142 HydrophobicContact CG1-CD2 3.65Å; V128-L142 HydrophobicContact CG1-CG 4.17Å; V128-I182 HydrophobicContact CG1-CD1 4.4Å; V128-L189 HydrophobicContact CB-CD1 4.04Å; V128-L189 HydrophobicContact CG1-CD1 4.42Å; V128-L189 HydrophobicContact CG2-CD1 3.83Å; V128-V226 HydrophobicContact CG2-CG1 4.29Å; V128-T227 WeakPolarHBondContact CA-O 3.34Å; V128-I228 HydrophobicContact CB-CD1 3.96Å; V128-I228 HydrophobicContact CG2-CD1 3.9Å |
| 129 | T | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.8 | 165.9 | -46.7 | 0 | 0 | 0 | 0 | 108.9 | T136 Y138 H139 T227 | T129-T136 HydrophobicContact CG2-CG2 3.7Å; T129-Y138 CarbonylContact C-O 3.6Å; T129-Y138 VanDerWaalsContact CA-O 3.32Å; T129-Y138 WeakPolarHBondContact CA-O 3.19Å; T129-H139 HydrophobicContact CG2-CB 4.44Å; T129-H139 PolarHBondContact OG1-CE1 2.8Å; T129-H139 VanDerWaalsContact OG1-CE1 3.3Å; T129-H139 PolarHBondContact OG1-ND1 2.91Å; T129-T227 PolarHBondContact N-O 2.84Å; T129-T227 PolarHBondContact O-N 2.8Å |
| 130 | V | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.5 | 176.4 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | V128 V137 Y138 L185 L187 L224 K225 V226 | V128-V130 HydrophobicContact CG2-CG2 3.82Å; V130-V137 HydrophobicContact CB-CG2 4.32Å; V130-V137 HydrophobicContact CG1-CG2 4.26Å; V130-V137 WeakPolarHBondContact O-CG2 3.48Å; V130-V137 PolarHBondContact O-N 2.67Å; V130-Y138 HydrophobicContact CG2-CD1 4.43Å; V130-Y138 PolarHBondContact N-O 2.76Å; V130-Y138 PolarHBondContact O-N 2.97Å; V130-L185 HydrophobicContact CB-CD1 3.8Å; V130-L185 HydrophobicContact CG1-CD1 3.82Å; V130-L185 HydrophobicContact CG2-CD1 3.92Å; V130-L187 HydrophobicContact CG2-CD2 3.74Å; V130-L224 HydrophobicContact CG1-CB 4.13Å; V130-L224 HydrophobicContact CG1-CD1 4.31Å; V130-L224 HydrophobicContact CG1-CD2 4.18Å; V130-L224 HydrophobicContact CG1-CG 4.44Å; V130-K225 WeakPolarHBondContact CA-O 3.35Å; V130-V226 HydrophobicContact CG1-CG2 4.15Å; V130-V226 HydrophobicContact CG2-CG2 4.36Å |
| 131 | R | 96.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.9 | 178.1 | -57.6 | -180 | 171.2 | 85.2 | 0.7 | 111.4 | V135 T136 K225 L369 Q370 D372 | R131-V135 CarbonylContact C-O 3.53Å; R131-V135 WeakPolarHBondContact CA-O 3.49Å; R131-T136 PolarHBondContact NE-OG1 2.88Å; R131-K225 HydrophobicContact CB-CB 4.25Å; R131-K225 PolarHBondContact N-O 2.84Å; R131-K225 PolarHBondContact O-N 2.97Å; R131-L369 PolarHBondContact NH2-O 3.21Å; R131-Q370 PolarHBondContact NH2-O 3.18Å; R131-D372 IonicContact NH2-OD1 3.97Å |
| 132 | K | 93.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 17% | 0.165 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.7 | 168.6 | -73.1 | -176.6 | 165.8 | -158.9 | 0 | 108.2 | G134 V135 V137 E222 L224 | K132-G134 PolarHBondContact O-N 3.25Å; K132-G134 VanDerWaalsContact O-N 3.11Å; K132-V135 PolarHBondContact N-O 2.88Å; K132-V135 PolarHBondContact O-N 2.89Å; K132-V137 HydrophobicContact CB-CG1 4.09Å; K132-V137 HydrophobicContact CD-CG1 4.23Å; K132-V137 HydrophobicContact CD-CG2 4.33Å; K132-V137 HydrophobicContact CG-CG1 4.23Å; K132-V137 HydrophobicContact CG-CG2 4.04Å; K132-E222 IonicContact NZ-OE1 2.79Å; K132-E222 PolarHBondContact NZ-OE1 2.89Å; K132-E222 IonicContact NZ-OE2 3.71Å; K132-L224 HydrophobicContact CD-CD2 4.22Å; K132-L224 HydrophobicContact CG-CD2 3.62Å |
| 133 | N | 89.5 | Confident | 96.1 | Very high | 143 Ų | 143 | 24.5 Ų | 24.5 | 77% | 0.765 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 42.7 | 178.1 | -55.6 | -34.4 | 0 | 0 | 0 | 113.5 | V135 | N133-V135 VanDerWaalsContact C-N 3.29Å; N133-V135 PolarHBondContact O-N 2.81Å |
| 134 | G | 88 | Confident | 96.2 | Very high | 68 Ų | 68 | 25.3 Ų | 25.3 | 70% | 0.701 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -9.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K132 | K132-G134 PolarHBondContact O-N 3.25Å; K132-G134 VanDerWaalsContact O-N 3.11Å |
| 135 | V | 94.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 27.9 Ų | 27.9 | 61% | 0.606 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.7 | -180 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | R131 K132 N133 V137 | R131-V135 CarbonylContact C-O 3.53Å; R131-V135 WeakPolarHBondContact CA-O 3.49Å; K132-V135 PolarHBondContact N-O 2.88Å; K132-V135 PolarHBondContact O-N 2.89Å; N133-V135 VanDerWaalsContact C-N 3.29Å; N133-V135 PolarHBondContact O-N 2.81Å; V135-V137 PolarHBondContact O-N 2.82Å |
| 136 | T | 96.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116.9 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | T129 R131 H139 Q370 | T129-T136 HydrophobicContact CG2-CG2 3.7Å; R131-T136 PolarHBondContact NE-OG1 2.88Å; T136-H139 HydrophobicContact CG2-CB 4.06Å; T136-Q370 WeakPolarHBondContact CB-O 3.38Å; T136-Q370 HydrophobicContact CG2-CG 4.13Å; T136-Q370 PolarHBondContact OG1-O 2.83Å |
| 137 | V | 97 | Very high | 94.8 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -19.9 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | V130 K132 V135 L185 | V130-V137 HydrophobicContact CB-CG2 4.32Å; V130-V137 HydrophobicContact CG1-CG2 4.26Å; V130-V137 WeakPolarHBondContact O-CG2 3.48Å; V130-V137 PolarHBondContact O-N 2.67Å; K132-V137 HydrophobicContact CB-CG1 4.09Å; K132-V137 HydrophobicContact CD-CG1 4.23Å; K132-V137 HydrophobicContact CD-CG2 4.33Å; K132-V137 HydrophobicContact CG-CG1 4.23Å; K132-V137 HydrophobicContact CG-CG2 4.04Å; V135-V137 PolarHBondContact O-N 2.82Å; V137-L185 HydrophobicContact CG2-CD1 4.24Å; V137-L185 HydrophobicContact CG2-CD2 4.02Å |
| 138 | Y | 98.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 9% | 0.09 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 133.8 | 177.5 | -167.2 | -96.2 | 0 | 0 | 0 | 110.4 | V128 T129 V130 Q140 I182 E184 L185 | V128-Y138 HydrophobicContact CG1-CD1 3.85Å; V128-Y138 HydrophobicContact CG1-CE1 3.6Å; T129-Y138 CarbonylContact C-O 3.6Å; T129-Y138 VanDerWaalsContact CA-O 3.32Å; T129-Y138 WeakPolarHBondContact CA-O 3.19Å; V130-Y138 HydrophobicContact CG2-CD1 4.43Å; V130-Y138 PolarHBondContact N-O 2.76Å; V130-Y138 PolarHBondContact O-N 2.97Å; Y138-Q140 HydrophobicContact CD1-CB 4.13Å; Y138-Q140 HydrophobicContact CE1-CB 3.44Å; Y138-Q140 VanDerWaalsContact CE1-CB 3.44Å; Y138-Q140 HydrophobicContact CE1-CG 4.11Å; Y138-I182 HydrophobicContact CD1-CD1 4.09Å; Y138-I182 HydrophobicContact CD2-CG2 4.13Å; Y138-I182 HydrophobicContact CE1-CD1 3.66Å; Y138-I182 HydrophobicContact CE1-CG1 4.22Å; Y138-I182 HydrophobicContact CE1-CG2 4.29Å; Y138-I182 HydrophobicContact CE2-CG2 3.9Å; Y138-I182 HydrophobicContact CG-CG2 4.45Å; Y138-E184 VanDerWaalsContact CE2-OE1 3.27Å; Y138-E184 WeakPolarHBondContact CE2-OE1 3.43Å; Y138-L185 HydrophobicContact CG-CD1 4.2Å |
| 139 | H | 97.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 113 | 178.9 | -173.6 | 52.2 | 0 | 0 | 0 | 109.4 | V128 T129 T136 K159 W366 Q370 | V128-H139 CarbonylContact O-C 3.58Å; V128-H139 VanDerWaalsContact O-CA 3.3Å; V128-H139 WeakPolarHBondContact O-CA 3.45Å; T129-H139 HydrophobicContact CG2-CB 4.44Å; T129-H139 PolarHBondContact OG1-CE1 2.8Å; T129-H139 VanDerWaalsContact OG1-CE1 3.3Å; T129-H139 PolarHBondContact OG1-ND1 2.91Å; T136-H139 HydrophobicContact CG2-CB 4.06Å; H139-K159 VanDerWaalsContact O-CD 3.3Å; H139-K159 WeakPolarHBondContact O-CD 3.44Å; H139-W366 AromaticContact CD2-CD2 3.87Å; H139-W366 AromaticContact CD2-CE2 3.21Å; H139-W366 AromaticContact CD2-CH2 3.53Å; H139-W366 AromaticContact CD2-CZ2 3.04Å; H139-W366 WeakPolarHBondContact CD2-CZ2 3.5Å; H139-W366 AromaticContact CD2-NE1 3.62Å; H139-W366 AromaticContact CG-CZ2 3.9Å; H139-W366 AromaticContact NE2-CD2 3.33Å; H139-W366 VanDerWaalsContact NE2-CD2 3.33Å; H139-W366 AromaticContact NE2-CE2 3.22Å; H139-W366 AromaticContact NE2-CE3 3.51Å; H139-W366 AromaticContact NE2-CH2 3.52Å; H139-W366 AromaticContact NE2-CZ2 3.35Å; H139-W366 VanDerWaalsContact NE2-CZ2 3.35Å; H139-W366 WeakPolarHBondContact NE2-CZ2 3.23Å; H139-W366 AromaticContact NE2-CZ3 3.6Å; H139-W366 AromaticContact NE2-NE1 3.78Å; H139-Q370 HydrophobicContact CB-CG 4.34Å |
| 140 | Q | 97.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 137.4 | -162.6 | -178.9 | 64.7 | 49.2 | 0 | 0 | 112.1 | I127 V128 Y138 K159 W160 F162 | I127-Q140 WeakPolarHBondContact CA-O 3.48Å; I127-Q140 WeakPolarHBondContact CG2-O 3.44Å; V128-Q140 HydrophobicContact CG1-CB 4.12Å; V128-Q140 PolarHBondContact N-O 3.04Å; V128-Q140 PolarHBondContact O-N 3.23Å; Y138-Q140 HydrophobicContact CD1-CB 4.13Å; Y138-Q140 HydrophobicContact CE1-CB 3.44Å; Y138-Q140 VanDerWaalsContact CE1-CB 3.44Å; Y138-Q140 HydrophobicContact CE1-CG 4.11Å; Q140-K159 PolarHBondContact NE2-O 2.81Å; Q140-K159 VanDerWaalsContact OE1-CG 3.28Å; Q140-W160 PolarHBondContact NE2-O 2.9Å; Q140-F162 HydrophobicContact CG-CD2 4.13Å |
| 141 | V | 97.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.9 | 164.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Q125 I127 S143 W158 K159 W160 W366 | Q125-V141 HydrophobicContact CB-CG1 4.09Å; Q125-V141 HydrophobicContact CG-CG1 3.95Å; I127-V141 HydrophobicContact CG1-CG2 4.31Å; V141-S143 PolarHBondContact O-N 2.69Å; V141-W158 HydrophobicContact CG2-CB 3.77Å; V141-W158 HydrophobicContact CG2-CD2 4.41Å; V141-W158 HydrophobicContact CG2-CE3 3.82Å; V141-W158 HydrophobicContact CG2-CG 4.47Å; V141-K159 WeakPolarHBondContact CB-O 3.43Å; V141-K159 WeakPolarHBondContact CG2-O 3.42Å; V141-K159 PolarHBondContact N-O 3.47Å; V141-W160 HydrophobicContact CB-CD2 4.41Å; V141-W160 HydrophobicContact CB-CE3 4.28Å; V141-W160 HydrophobicContact CG1-CD2 4.38Å; V141-W160 HydrophobicContact CG1-CE3 3.88Å; V141-W160 HydrophobicContact CG1-CH2 4Å; V141-W160 HydrophobicContact CG1-CZ2 4.49Å; V141-W160 HydrophobicContact CG1-CZ3 3.68Å; V141-W160 HydrophobicContact CG2-CD2 4.35Å; V141-W366 HydrophobicContact CG2-CH2 4.17Å; V141-W366 HydrophobicContact CG2-CZ3 3.77Å |
| 142 | L | 97.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -79 | 58.1 | -179.4 | -64.7 | -179.7 | 0 | 0 | 0 | 111.4 | F126 V128 F162 Y180 L189 W214 | F126-L142 HydrophobicContact CB-CB 4.43Å; F126-L142 HydrophobicContact CB-CD1 4.11Å; F126-L142 WeakPolarHBondContact O-CB 3.45Å; F126-L142 PolarHBondContact O-N 2.59Å; V128-L142 HydrophobicContact CB-CD1 4.43Å; V128-L142 HydrophobicContact CB-CD2 4.32Å; V128-L142 HydrophobicContact CB-CG 4.45Å; V128-L142 HydrophobicContact CG1-CD2 3.65Å; V128-L142 HydrophobicContact CG1-CG 4.17Å; L142-F162 HydrophobicContact CD2-CD2 4.07Å; L142-F162 HydrophobicContact CD2-CE2 4.21Å; L142-Y180 HydrophobicContact CB-CD1 4.24Å; L142-Y180 HydrophobicContact CB-CE1 3.7Å; L142-Y180 HydrophobicContact CD1-CD2 4.27Å; L142-Y180 HydrophobicContact CD1-CE2 4.19Å; L142-Y180 HydrophobicContact CD2-CD1 3.9Å; L142-Y180 HydrophobicContact CD2-CE1 4.24Å; L142-Y180 HydrophobicContact CD2-CG 4.13Å; L142-Y180 HydrophobicContact CG-CE1 4.4Å; L142-Y180 PolarHBondContact O-OH 2.89Å; L142-L189 HydrophobicContact CD1-CD1 4.33Å; L142-W214 HydrophobicContact CD1-CH2 3.66Å; L142-W214 HydrophobicContact CD1-CZ3 3.97Å |
| 143 | S | 95.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | trans | -141.4 | 136.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | V141 L145 G161 F162 | V141-S143 PolarHBondContact O-N 2.69Å; S143-L145 PolarHBondContact O-N 2.97Å; S143-L145 PolarHBondContact OG-N 3.19Å; S143-G161 PolarHBondContact O-N 2.99Å; S143-F162 WeakPolarHBondContact O-CB 3.37Å; S143-F162 PolarHBondContact O-N 3.43Å | ||
| 144 | P | 95.4 | Very high | 87.6 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | trans | -77.4 | -2.6 | 178.2 | 33.4 | -36.3 | 0 | 0 | 0 | 113.6 | F27 R103 T146 F162 P164 | F27-P144 HydrophobicContact CB-CB 4.37Å; F27-P144 HydrophobicContact CB-CG 4.2Å; F27-P144 HydrophobicContact CD2-CB 4.05Å; F27-P144 HydrophobicContact CD2-CG 3.68Å; F27-P144 HydrophobicContact CE2-CG 4.39Å; F27-P144 HydrophobicContact CG-CG 4.23Å; R103-P144 HydrophobicContact CB-CG 3.78Å; R103-P144 HydrophobicContact CG-CG 4.18Å; P144-T146 PolarHBondContact O-N 3.03Å; P144-T146 VanDerWaalsContact O-N 3.16Å; P144-F162 VanDerWaalsContact CA-O 3.29Å; P144-F162 WeakPolarHBondContact CA-O 3.25Å; P144-P164 HydrophobicContact CB-CB 3.95Å | ||
| 145 | L | 91.3 | Very high | 87.7 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | trans | -62.2 | 118.9 | 172.4 | -66.7 | 177.3 | 0 | 0 | 0 | 108.9 | S143 K147 W160 G161 | S143-L145 PolarHBondContact O-N 2.97Å; S143-L145 PolarHBondContact OG-N 3.19Å; L145-K147 PolarHBondContact O-N 3.29Å; L145-W160 HydrophobicContact CB-CE3 4.21Å; L145-W160 WeakPolarHBondContact O-CB 3.46Å; L145-G161 WeakPolarHBondContact O-CA 3.37Å; L145-G161 PolarHBondContact O-N 3.04Å | ||
| 146 | T | 87.7 | Confident | 87.4 | Confident | 119 Ų | 119 | 53.5 Ų | 53.5 | 73% | 0.73 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -71.7 | -16.1 | -177.7 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | P144 | P144-T146 PolarHBondContact O-N 3.03Å; P144-T146 VanDerWaalsContact O-N 3.16Å |
| 147 | K | 83.1 | Confident | 87.1 | Confident | 157 Ų | 157 | 59 Ų | 59 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -148.7 | 150.4 | 176.6 | 61.9 | -172.1 | 177.5 | -171 | 0 | 109.7 | L145 | L145-K147 PolarHBondContact O-N 3.29Š|
| 148 | P | 79.2 | Confident | 87 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | trans | -63.6 | 149.3 | 173.8 | 27.9 | -32.8 | 0 | 0 | 0 | 109.6 | A152 L155 K156 W160 | P148-A152 HydrophobicContact CB-CB 4.49Å; P148-L155 HydrophobicContact CB-CB 3.98Å; P148-L155 HydrophobicContact CG-CB 4.34Å; P148-K156 HydrophobicContact CG-CG 3.93Å; P148-W160 HydrophobicContact CB-CZ2 3.95Å | ||
| 149 | P | 72.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 60 Ų | 60 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -48.6 | 148.3 | 169.9 | -32.9 | 39.5 | 0 | 0 | 0 | 113 | P122 N151 A152 | P122-P149 HydrophobicContact CB-CG 4.21Å; P122-P149 HydrophobicContact CG-CB 3.77Å; P122-P149 HydrophobicContact CG-CG 3.74Å; P149-N151 WeakPolarHBondContact CB-OD1 3.31Å; P149-N151 PolarHBondContact O-N 3Å; P149-A152 PolarHBondContact O-N 3.17Å | ||
| 150 | S | 68 | Low | 86.8 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 74% | 0.741 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.9 | -169.9 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | A152 K153 | S150-A152 VanDerWaalsContact C-N 3.33Å; S150-K153 WeakPolarHBondContact O-CG 3.41Å |
| 151 | N | 68.6 | Low | 86.6 | Confident | 97 Ų | 97 | 62 Ų | 62 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -5.9 | 175.8 | 63.8 | -14.5 | 0 | 0 | 0 | 114.1 | P149 | P149-N151 WeakPolarHBondContact CB-OD1 3.31Å; P149-N151 PolarHBondContact O-N 3Å |
| 152 | A | 76 | Confident | 86.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | trans | -119.8 | 46.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | P122 P148 P149 S150 K154 L155 | P122-A152 HydrophobicContact CB-CB 3.38Å; P122-A152 HydrophobicContact CG-CB 3.59Å; P148-A152 HydrophobicContact CB-CB 4.49Å; P149-A152 PolarHBondContact O-N 3.17Å; S150-A152 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 3.41Å; A152-L155 HydrophobicContact CB-CD1 3.79Å; A152-L155 HydrophobicContact CB-CG 4.07Å; A152-L155 WeakPolarHBondContact O-CB 3.34Å; A152-L155 PolarHBondContact O-N 2.88Å | ||
| 153 | K | 75.2 | Confident | 86.6 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -55.3 | -24.1 | -178 | -63.9 | -177.8 | -177.6 | 175.7 | 0 | 114.2 | S150 L155 K156 | S150-K153 WeakPolarHBondContact O-CG 3.41Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-K156 WeakPolarHBondContact O-CB 3.31Å; K153-K156 WeakPolarHBondContact O-CD 3.36Å; K153-K156 WeakPolarHBondContact O-CG 3.48Å; K153-K156 PolarHBondContact O-N 3.31Å |
| 154 | K | 82.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -78.5 | -11.7 | 178.6 | -59.8 | -65.6 | -178.9 | 178.4 | 0 | 113.7 | A152 K156 D326 | A152-K154 PolarHBondContact O-N 3.41Å; K154-K156 VanDerWaalsContact C-N 3.31Å; K154-D326 WeakPolarHBondContact CE-OD1 3.47Å; K154-D326 IonicContact NZ-OD1 3.75Å |
| 155 | L | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -86.5 | 1.8 | 171.8 | -56.1 | -177.2 | 0 | 0 | 0 | 112.9 | P122 V123 P148 A152 K153 K157 W158 W160 F324 A362 | P122-L155 HydrophobicContact CB-CD1 3.65Å; P122-L155 WeakPolarHBondContact O-CD1 3.23Å; V123-L155 HydrophobicContact CB-CD1 4.13Å; V123-L155 HydrophobicContact CG2-CD2 4.36Å; P148-L155 HydrophobicContact CB-CB 3.98Å; P148-L155 HydrophobicContact CG-CB 4.34Å; A152-L155 HydrophobicContact CB-CD1 3.79Å; A152-L155 HydrophobicContact CB-CG 4.07Å; A152-L155 WeakPolarHBondContact O-CB 3.34Å; A152-L155 PolarHBondContact O-N 2.88Å; K153-L155 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 3.46Å; L155-W158 HydrophobicContact CB-CD2 4.36Å; L155-W158 HydrophobicContact CD1-CZ3 4.5Å; L155-W158 HydrophobicContact CD2-CD2 3.97Å; L155-W158 HydrophobicContact CD2-CE3 4.18Å; L155-W158 HydrophobicContact CD2-CH2 3.86Å; L155-W158 HydrophobicContact CD2-CZ2 3.59Å; L155-W158 HydrophobicContact CD2-CZ3 4.14Å; L155-W158 VanDerWaalsContact O-CB 3.32Å; L155-W158 WeakPolarHBondContact O-CB 3.26Å; L155-W158 PolarHBondContact O-N 2.79Å; L155-W160 HydrophobicContact CB-CZ2 4.21Å; L155-W160 HydrophobicContact CD1-CZ2 4.18Å; L155-W160 PolarHBondContact O-NE1 3.36Å; L155-F324 HydrophobicContact CD2-CB 3.94Å; L155-A362 HydrophobicContact CD2-CB 3.69Å |
| 156 | K | 88.9 | Confident | 87 | Confident | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.9 | -178.7 | -75.7 | 177.7 | -179.6 | -168.7 | 0 | 114.5 | P148 K153 K154 W158 | P148-K156 HydrophobicContact CG-CG 3.93Å; K153-K156 WeakPolarHBondContact O-CB 3.31Å; K153-K156 WeakPolarHBondContact O-CD 3.36Å; K153-K156 WeakPolarHBondContact O-CG 3.48Å; K153-K156 PolarHBondContact O-N 3.31Å; K154-K156 VanDerWaalsContact C-N 3.31Å; K156-W158 VanDerWaalsContact C-N 3.29Å |
| 157 | K | 90.6 | Very high | 87.5 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -18.3 | 176.2 | -70.3 | -64.1 | -172.3 | 176.4 | 0 | 112.6 | L155 S363 W366 | L155-K157 PolarHBondContact O-N 3.46Å; K157-S363 WeakPolarHBondContact CG-OG 3.41Å; K157-W366 PolarHBondContact O-NE1 3.43Å |
| 158 | W | 94.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -69 | 142.6 | 173.6 | -59.2 | 5.5 | 0 | 0 | 0 | 109.1 | V123 Q125 I127 V141 L155 K156 W160 F322 A362 F365 W366 | V123-W158 HydrophobicContact CG2-CH2 3.93Å; Q125-W158 HydrophobicContact CB-CZ3 4.37Å; Q125-W158 HydrophobicContact CG-CZ3 4.31Å; I127-W158 HydrophobicContact CD1-CE3 4.23Å; I127-W158 HydrophobicContact CD1-CH2 4.15Å; I127-W158 HydrophobicContact CD1-CZ3 4Å; V141-W158 HydrophobicContact CG2-CB 3.77Å; V141-W158 HydrophobicContact CG2-CD2 4.41Å; V141-W158 HydrophobicContact CG2-CE3 3.82Å; V141-W158 HydrophobicContact CG2-CG 4.47Å; L155-W158 HydrophobicContact CB-CD2 4.36Å; L155-W158 HydrophobicContact CD1-CZ3 4.5Å; L155-W158 HydrophobicContact CD2-CD2 3.97Å; L155-W158 HydrophobicContact CD2-CE3 4.18Å; L155-W158 HydrophobicContact CD2-CH2 3.86Å; L155-W158 HydrophobicContact CD2-CZ2 3.59Å; L155-W158 HydrophobicContact CD2-CZ3 4.14Å; L155-W158 VanDerWaalsContact O-CB 3.32Å; L155-W158 WeakPolarHBondContact O-CB 3.26Å; L155-W158 PolarHBondContact O-N 2.79Å; K156-W158 VanDerWaalsContact C-N 3.29Å; W158-W160 AromaticContact CE3-CZ2 3.96Å; W158-W160 HydrophobicContact CE3-CZ2 3.96Å; W158-W160 PolarHBondContact O-N 3.41Å; W158-F322 HydrophobicContact CH2-CE2 4.34Å; W158-F322 HydrophobicContact CH2-CZ 4.2Å; W158-F322 AromaticContact CZ2-CE2 3.95Å; W158-F322 HydrophobicContact CZ2-CE2 3.95Å; W158-F322 HydrophobicContact CZ2-CZ 4.16Å; W158-A362 HydrophobicContact CZ2-CB 4.41Å; W158-A362 PolarHBondContact NE1-O 3.27Å; W158-F365 AromaticContact CZ2-CD1 3.99Å; W158-F365 HydrophobicContact CZ2-CD1 3.99Å; W158-F365 HydrophobicContact CZ2-CE1 4.21Å; W158-W366 HydrophobicContact CB-CD2 4.05Å; W158-W366 HydrophobicContact CB-CE3 3.57Å; W158-W366 HydrophobicContact CB-CH2 4.2Å; W158-W366 HydrophobicContact CB-CZ3 3.66Å; W158-W366 AromaticContact CD1-CD2 3.66Å; W158-W366 AromaticContact CD1-CE3 3.45Å; W158-W366 VanDerWaalsContact CD1-CE3 3.45Å; W158-W366 AromaticContact CD1-CG 3.72Å; W158-W366 AromaticContact CD2-CE3 3.97Å; W158-W366 HydrophobicContact CD2-CE3 3.97Å; W158-W366 HydrophobicContact CD2-CZ3 4.4Å; W158-W366 AromaticContact CG-CD2 3.97Å; W158-W366 HydrophobicContact CG-CD2 3.97Å; W158-W366 AromaticContact CG-CE3 3.4Å; W158-W366 HydrophobicContact CG-CE3 3.4Å; W158-W366 HydrophobicContact CG-CG 4.48Å; W158-W366 AromaticContact CG-CZ3 3.92Å; W158-W366 HydrophobicContact CG-CZ3 3.92Å |
| 159 | K | 95.7 | Very high | 89.1 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 45% | 0.452 | 30% | 0.301 | S | S | . | . | trans | -79.5 | 104.7 | 175.1 | -168.8 | -171.6 | 173 | -156.1 | 0 | 108.4 | H139 Q140 V141 W366 | H139-K159 VanDerWaalsContact O-CD 3.3Å; H139-K159 WeakPolarHBondContact O-CD 3.44Å; Q140-K159 PolarHBondContact NE2-O 2.81Å; Q140-K159 VanDerWaalsContact OE1-CG 3.28Å; V141-K159 WeakPolarHBondContact CB-O 3.43Å; V141-K159 WeakPolarHBondContact CG2-O 3.42Å; V141-K159 PolarHBondContact N-O 3.47Å; K159-W366 HydrophobicContact CB-CH2 3.84Å; K159-W366 HydrophobicContact CB-CZ2 3.58Å | ||
| 160 | W | 94.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | trans | -95.7 | 173.1 | 179 | -73.7 | 95.3 | 0 | 0 | 0 | 111.3 | P122 Q125 Q140 V141 L145 P148 L155 W158 | P122-W160 WeakPolarHBondContact O-CH2 3.46Å; Q125-W160 HydrophobicContact CG-CH2 3.82Å; Q125-W160 HydrophobicContact CG-CZ3 4.38Å; Q140-W160 PolarHBondContact NE2-O 2.9Å; V141-W160 HydrophobicContact CB-CD2 4.41Å; V141-W160 HydrophobicContact CB-CE3 4.28Å; V141-W160 HydrophobicContact CG1-CD2 4.38Å; V141-W160 HydrophobicContact CG1-CE3 3.88Å; V141-W160 HydrophobicContact CG1-CH2 4Å; V141-W160 HydrophobicContact CG1-CZ2 4.49Å; V141-W160 HydrophobicContact CG1-CZ3 3.68Å; V141-W160 HydrophobicContact CG2-CD2 4.35Å; L145-W160 HydrophobicContact CB-CE3 4.21Å; L145-W160 WeakPolarHBondContact O-CB 3.46Å; P148-W160 HydrophobicContact CB-CZ2 3.95Å; L155-W160 HydrophobicContact CB-CZ2 4.21Å; L155-W160 HydrophobicContact CD1-CZ2 4.18Å; L155-W160 PolarHBondContact O-NE1 3.36Å; W158-W160 AromaticContact CE3-CZ2 3.96Å; W158-W160 HydrophobicContact CE3-CZ2 3.96Å; W158-W160 PolarHBondContact O-N 3.41Å | ||
| 161 | G | 95 | Very high | 91.8 | Very high | 30 Ų | 30 | 53 Ų | 53 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | trans | 80.5 | 52 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S143 L145 D163 | S143-G161 PolarHBondContact O-N 2.99Å; L145-G161 WeakPolarHBondContact O-CA 3.37Å; L145-G161 PolarHBondContact O-N 3.04Å; G161-D163 PolarHBondContact O-N 2.79Å | ||
| 162 | F | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | trans | -56.7 | 136.9 | 166 | -176.6 | -90.8 | 0 | 0 | 0 | 109.4 | Q140 L142 S143 P144 P164 K166 Y180 E181 I182 | Q140-F162 HydrophobicContact CG-CD2 4.13Å; L142-F162 HydrophobicContact CD2-CD2 4.07Å; L142-F162 HydrophobicContact CD2-CE2 4.21Å; S143-F162 WeakPolarHBondContact O-CB 3.37Å; S143-F162 PolarHBondContact O-N 3.43Å; P144-F162 VanDerWaalsContact CA-O 3.29Å; P144-F162 WeakPolarHBondContact CA-O 3.25Å; F162-P164 WeakPolarHBondContact O-CD 3.12Å; F162-P164 VanDerWaalsContact O-N 3.09Å; F162-K166 HydrophobicContact CE1-CB 3.86Å; F162-K166 WeakPolarHBondContact CE1-O 3.22Å; F162-K166 HydrophobicContact CZ-CB 3.97Å; F162-Y180 AromaticContact CD1-CD1 3.99Å; F162-Y180 HydrophobicContact CD1-CD1 3.99Å; F162-Y180 HydrophobicContact CD1-CE1 4.5Å; F162-Y180 HydrophobicContact CD2-CD1 4.48Å; F162-Y180 AromaticContact CE1-CD1 3.64Å; F162-Y180 HydrophobicContact CE1-CD1 3.64Å; F162-Y180 HydrophobicContact CE1-CG 4.49Å; F162-Y180 HydrophobicContact CE2-CD1 4.17Å; F162-Y180 HydrophobicContact CG-CD1 4.4Å; F162-Y180 AromaticContact CZ-CD1 3.75Å; F162-Y180 HydrophobicContact CZ-CD1 3.75Å; F162-Y180 HydrophobicContact CZ-CG 4.26Å; F162-E181 WeakPolarHBondContact CZ-O 3.22Å; F162-I182 HydrophobicContact CE2-CG1 4.38Å | ||
| 163 | D | 97.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | trans | -59.5 | 116 | -174.9 | -176.6 | -7.1 | 0 | 0 | 0 | 110.4 | G161 E165 K166 | G161-D163 PolarHBondContact O-N 2.79Å; D163-E165 PolarHBondContact O-N 3.29Å; D163-E165 PolarHBondContact OD1-N 2.94Å; D163-K166 HydrophobicContact CB-CB 4.1Å; D163-K166 HydrophobicContact CB-CG 3.82Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 3.18Å; D163-K166 WeakPolarHBondContact OD2-CG 3.21Å | ||
| 164 | P | 97.5 | Very high | 95.4 | Very high | 44 Ų | 44 | 42 Ų | 42 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -68.5 | -16.5 | -177 | 31.3 | -38.1 | 0 | 0 | 0 | 112.9 | R26 F27 D28 P144 F162 K166 | R26-P164 WeakPolarHBondContact CG-O 3.2Å; F27-P164 HydrophobicContact CB-CB 3.8Å; F27-P164 WeakPolarHBondContact CB-O 3.49Å; F27-P164 PolarHBondContact N-O 3.19Å; D28-P164 HydrophobicContact CB-CB 3.99Å; D28-P164 HydrophobicContact CB-CG 4.31Å; P144-P164 HydrophobicContact CB-CB 3.95Å; F162-P164 WeakPolarHBondContact O-CD 3.12Å; F162-P164 VanDerWaalsContact O-N 3.09Å; P164-K166 PolarHBondContact O-N 2.94Å |
| 165 | E | 96.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 49% | 0.486 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -75.6 | -12.7 | 172.4 | -62.5 | -169.8 | -178.7 | 0 | 0 | 113 | D163 | D163-E165 PolarHBondContact O-N 3.29Å; D163-E165 PolarHBondContact OD1-N 2.94Å |
| 166 | K | 97.4 | Very high | 96.6 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 27% | 0.265 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -107.2 | 5.1 | -177.2 | -59.1 | -57.7 | 176.4 | -172.1 | 0 | 113.6 | F162 D163 P164 Y180 E181 P183 | F162-K166 HydrophobicContact CE1-CB 3.86Å; F162-K166 WeakPolarHBondContact CE1-O 3.22Å; F162-K166 HydrophobicContact CZ-CB 3.97Å; D163-K166 HydrophobicContact CB-CB 4.1Å; D163-K166 HydrophobicContact CB-CG 3.82Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 3.18Å; D163-K166 WeakPolarHBondContact OD2-CG 3.21Å; P164-K166 PolarHBondContact O-N 2.94Å; K166-Y180 WeakPolarHBondContact O-CA 3.43Å; K166-E181 HydrophobicContact CB-CB 4.03Å; K166-E181 HydrophobicContact CD-CB 3.97Å; K166-E181 HydrophobicContact CD-CG 4.47Å; K166-E181 WeakPolarHBondContact CD-OE2 3.42Å; K166-E181 IonicContact NZ-OE2 2.95Å; K166-E181 PolarHBondContact NZ-OE2 3Å; K166-E181 VanDerWaalsContact NZ-OE2 3.09Å; K166-E181 PolarHBondContact O-N 2.93Å; K166-P183 HydrophobicContact CD-CG 4.14Å |
| 167 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R26 F27 V179 | R26-G167 CarbonylContact C-O 3.54Å; R26-G167 WeakPolarHBondContact CA-O 3.33Å; R26-G167 VanDerWaalsContact CG-O 3.31Å; R26-G167 WeakPolarHBondContact CG-O 3.04Å; F27-G167 WeakPolarHBondContact CD1-O 3.36Å; F27-G167 PolarHBondContact N-O 3.31Å; G167-V179 WeakPolarHBondContact CA-O 3.34Å |
| 168 | H | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 14% | 0.139 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.4 | 179.2 | -48.6 | -98.1 | 0 | 0 | 0 | 110.1 | T178 V179 E181 | H168-T178 CarbonylContact O-C 3.5Å; H168-T178 VanDerWaalsContact O-CA 3.29Å; H168-T178 WeakPolarHBondContact O-CA 3.14Å; H168-V179 HydrophobicContact CB-CB 4.17Å; H168-V179 PolarHBondContact N-O 3.18Å; H168-V179 PolarHBondContact O-N 2.99Å; H168-E181 IonicContact CD2-OE1 2.93Å; H168-E181 IonicContact CE1-OE1 3.26Å; H168-E181 IonicContact NE2-OE1 3.62Å; H168-E181 PolarHBondContact NE2-OE1 3.44Å |
| 169 | Y | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.8 | 177.9 | 176.6 | -88.3 | 0 | 0 | 0 | 110.5 | W23 E24 A25 G87 V88 Y102 S176 W177 | W23-Y169 HydrophobicContact CE3-CD1 4.03Å; W23-Y169 AromaticContact CE3-CE1 3.95Å; W23-Y169 HydrophobicContact CE3-CE1 3.95Å; W23-Y169 AromaticContact CZ3-CD1 3.97Å; W23-Y169 HydrophobicContact CZ3-CD1 3.97Å; W23-Y169 HydrophobicContact CZ3-CE1 4.13Å; E24-Y169 WeakPolarHBondContact CA-O 3.3Å; A25-Y169 PolarHBondContact N-O 3.49Å; A25-Y169 WeakPolarHBondContact O-CB 3.35Å; A25-Y169 PolarHBondContact O-N 3.38Å; G87-Y169 WeakPolarHBondContact CA-OH 3.33Å; V88-Y169 WeakPolarHBondContact CG2-OH 3.24Å; V88-Y169 PolarHBondContact N-OH 2.91Å; Y102-Y169 VanDerWaalsContact O-CB 3.22Å; Y102-Y169 WeakPolarHBondContact O-CB 3.24Å; Y102-Y169 WeakPolarHBondContact O-CD2 3.32Å; Y169-S176 VanDerWaalsContact OH-CB 3.31Å; Y169-S176 WeakPolarHBondContact OH-CB 3.29Å; Y169-W177 WeakPolarHBondContact CA-O 3.49Å |
| 170 | L | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 123.8 | 173.9 | 174.2 | 66.8 | 0 | 0 | 0 | 109.1 | V18 P19 W23 E24 S176 W177 | V18-L170 HydrophobicContact CB-CD2 3.98Å; V18-L170 HydrophobicContact CG2-CD2 4.46Å; P19-L170 HydrophobicContact CG-CD2 3.64Å; P19-L170 HydrophobicContact CG-CG 4.42Å; P19-L170 WeakPolarHBondContact O-CD2 3.16Å; W23-L170 CarbonylContact O-C 3.51Å; W23-L170 WeakPolarHBondContact O-CA 3.36Å; E24-L170 HydrophobicContact CG-CB 4.39Å; E24-L170 HydrophobicContact CG-CD1 3.29Å; E24-L170 HydrophobicContact CG-CG 4.39Å; L170-S176 CarbonylContact O-C 3.58Å; L170-S176 VanDerWaalsContact O-CA 3.24Å; L170-S176 WeakPolarHBondContact O-CA 3.32Å; L170-S176 VanDerWaalsContact O-CB 3.32Å; L170-S176 WeakPolarHBondContact O-CB 3.28Å; L170-W177 HydrophobicContact CB-CB 4.42Å; L170-W177 HydrophobicContact CD2-CE3 4.14Å; L170-W177 HydrophobicContact CG-CE3 4.11Å; L170-W177 PolarHBondContact N-O 2.81Å; L170-W177 PolarHBondContact O-N 2.82Å |
| 171 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G22 W23 N500 Y937 | G22-G171 CarbonylContact C-O 3.6Å; G22-G171 WeakPolarHBondContact CA-O 3.46Å; W23-G171 PolarHBondContact N-O 3.25Å; W23-G171 PolarHBondContact O-N 3.49Å; G171-N500 PolarHBondContact O-ND2 2.84Å; G171-N500 PolarHBondContact O-OD1 3.19Å; G171-Y937 VanDerWaalsContact C-OH 3.31Å; G171-Y937 VanDerWaalsContact CA-OH 3.32Å; G171-Y937 WeakPolarHBondContact CA-OH 3.25Å; G171-Y937 PolarHBondContact O-OH 3.14Å |
| 172 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 87.9 | 170.5 | -172.4 | 66.8 | 0 | 0 | 0 | 108.2 | R175 W177 L485 F499 N500 | L172-R175 CarbonylContact C-O 3.49Å; L172-R175 PolarHBondContact N-O 3.19Å; L172-R175 CarbonylContact O-C 3.56Å; L172-R175 WeakPolarHBondContact O-CA 3.33Å; L172-R175 PolarHBondContact O-N 3.05Å; L172-W177 HydrophobicContact CB-CH2 4.36Å; L172-W177 HydrophobicContact CB-CZ3 3.85Å; L172-L485 HydrophobicContact CD2-CD1 3.89Å; L172-L485 HydrophobicContact CD2-CD2 4.46Å; L172-F499 HydrophobicContact CD1-CB 4.13Å; L172-F499 HydrophobicContact CD1-CD2 4.11Å; L172-N500 WeakPolarHBondContact CA-OD1 3.28Å |
| 173 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 136.5 | -174.2 | 177.4 | -86.7 | 0 | 0 | 0 | 111.3 | V88 P89 V197 Q481 F499 N500 L502 S506 | V88-Y173 HydrophobicContact CG1-CD2 3.99Å; P89-Y173 HydrophobicContact CG-CE2 4.28Å; Y173-V197 HydrophobicContact CE1-CG1 4.12Å; Y173-Q481 PolarHBondContact O-NE2 3.43Å; Y173-F499 WeakPolarHBondContact CB-O 3.31Å; Y173-F499 WeakPolarHBondContact CD1-O 3.2Å; Y173-N500 PolarHBondContact N-OD1 3.31Å; Y173-L502 HydrophobicContact CD1-CB 3.58Å; Y173-L502 HydrophobicContact CE1-CB 3.52Å; Y173-L502 PolarHBondContact OH-O 3.49Å; Y173-S506 PolarHBondContact OH-OG 3.11Å |
| 174 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91 | 20.5 | 9.6 | 38.6 | -39 | 0 | 0 | 0 | 114.6 | S195 V197 I477 | P174-S195 PolarHBondContact O-N 2.91Å; P174-V197 HydrophobicContact CB-CB 3.84Å; P174-V197 HydrophobicContact CB-CG2 4.35Å; P174-V197 HydrophobicContact CG-CB 4.2Å; P174-I477 HydrophobicContact CG-CD1 3.74Å; P174-I477 HydrophobicContact CG-CG1 4.07Å; P174-I477 HydrophobicContact CG-CG2 4.25Å |
| 175 | R | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 157.7 | -178.9 | -60.8 | 178.6 | -65.1 | 161.4 | -4.4 | 112 | V88 L172 W177 Q192 Q193 I194 I477 E478 | V88-R175 WeakPolarHBondContact CG2-O 3.49Å; L172-R175 CarbonylContact C-O 3.49Å; L172-R175 PolarHBondContact N-O 3.19Å; L172-R175 CarbonylContact O-C 3.56Å; L172-R175 WeakPolarHBondContact O-CA 3.33Å; L172-R175 PolarHBondContact O-N 3.05Å; R175-W177 HydrophobicContact CB-CH2 3.69Å; R175-W177 HydrophobicContact CB-CZ2 4.24Å; R175-W177 HydrophobicContact CB-CZ3 4.04Å; R175-Q192 VanDerWaalsContact NH1-NE2 3.19Å; R175-Q193 WeakPolarHBondContact CA-O 3.29Å; R175-Q193 WeakPolarHBondContact CB-O 3.1Å; R175-I194 HydrophobicContact CG-CG1 4.4Å; R175-I194 HydrophobicContact CG-CG2 4.37Å; R175-I477 HydrophobicContact CG-CD1 4.4Å; R175-E478 IonicContact CZ-OE1 3.05Å; R175-E478 IonicContact NH1-OE1 3.82Å; R175-E478 PolarHBondContact NH1-OE1 3.49Å; R175-E478 IonicContact NH2-OE1 2.61Å |
| 176 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 161.2 | 165.3 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | Y169 L170 Q192 Q193 | Y169-S176 VanDerWaalsContact OH-CB 3.31Å; Y169-S176 WeakPolarHBondContact OH-CB 3.29Å; L170-S176 CarbonylContact O-C 3.58Å; L170-S176 VanDerWaalsContact O-CA 3.24Å; L170-S176 WeakPolarHBondContact O-CA 3.32Å; L170-S176 VanDerWaalsContact O-CB 3.32Å; L170-S176 WeakPolarHBondContact O-CB 3.28Å; S176-Q192 CarbonylContact O-C 3.57Å; S176-Q192 WeakPolarHBondContact O-CA 3.15Å; S176-Q193 PolarHBondContact N-O 2.84Å; S176-Q193 VanDerWaalsContact N-O 3.12Å; S176-Q193 PolarHBondContact O-N 3.48Å; S176-Q193 WeakPolarHBondContact OG-CB 3.29Å; S176-Q193 PolarHBondContact OG-NE2 2.94Å |
| 177 | W | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.2 | 176.2 | -60.3 | -105.7 | 0 | 0 | 0 | 108.9 | I17 V18 P19 Y169 L170 L172 R175 Y191 Q192 | I17-W177 PolarHBondContact O-NE1 3Å; V18-W177 HydrophobicContact CB-CG 4.35Å; V18-W177 HydrophobicContact CG1-CB 3.87Å; V18-W177 HydrophobicContact CG1-CG 3.92Å; P19-W177 VanDerWaalsContact CD-CZ2 3.45Å; P19-W177 HydrophobicContact CG-CD2 4.16Å; P19-W177 HydrophobicContact CG-CE3 3.79Å; P19-W177 HydrophobicContact CG-CH2 3.44Å; P19-W177 VanDerWaalsContact CG-CH2 3.44Å; P19-W177 HydrophobicContact CG-CZ2 3.75Å; P19-W177 HydrophobicContact CG-CZ3 3.45Å; P19-W177 VanDerWaalsContact CG-CZ3 3.45Å; Y169-W177 WeakPolarHBondContact CA-O 3.49Å; L170-W177 HydrophobicContact CB-CB 4.42Å; L170-W177 HydrophobicContact CD2-CE3 4.14Å; L170-W177 HydrophobicContact CG-CE3 4.11Å; L170-W177 PolarHBondContact N-O 2.81Å; L170-W177 PolarHBondContact O-N 2.82Å; L172-W177 HydrophobicContact CB-CH2 4.36Å; L172-W177 HydrophobicContact CB-CZ3 3.85Å; R175-W177 HydrophobicContact CB-CH2 3.69Å; R175-W177 HydrophobicContact CB-CZ2 4.24Å; R175-W177 HydrophobicContact CB-CZ3 4.04Å; W177-Y191 CarbonylContact C-O 3.54Å; W177-Y191 VanDerWaalsContact CA-O 3.24Å; W177-Y191 WeakPolarHBondContact CA-O 3.2Å; W177-Q192 HydrophobicContact CD2-CG 4.47Å; W177-Q192 HydrophobicContact CZ2-CG 4.26Å |
| 178 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 126.3 | 171.7 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | F27 H168 Y180 V190 Y191 | F27-T178 HydrophobicContact CE1-CG2 3.88Å; F27-T178 HydrophobicContact CZ-CG2 3.6Å; H168-T178 CarbonylContact O-C 3.5Å; H168-T178 VanDerWaalsContact O-CA 3.29Å; H168-T178 WeakPolarHBondContact O-CA 3.14Å; T178-Y180 HydrophobicContact CG2-CD2 4.27Å; T178-Y180 HydrophobicContact CG2-CE1 4.29Å; T178-Y180 HydrophobicContact CG2-CE2 3.5Å; T178-Y180 WeakPolarHBondContact CG2-OH 3.32Å; T178-V190 WeakPolarHBondContact O-CA 3.27Å; T178-Y191 VanDerWaalsContact CB-CE1 3.4Å; T178-Y191 HydrophobicContact CG2-CE1 3.98Å; T178-Y191 PolarHBondContact N-O 3.07Å; T178-Y191 PolarHBondContact O-N 3.14Å; T178-Y191 VanDerWaalsContact OG1-CZ 3.23Å; T178-Y191 PolarHBondContact OG1-OH 3.25Å; T178-Y191 VanDerWaalsContact OG1-OH 3.12Å |
| 179 | V | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.4 | -177.4 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L9 V18 G167 H168 V188 L189 V190 | L9-V179 HydrophobicContact CD1-CG2 4.22Å; V18-V179 HydrophobicContact CG1-CG2 4.27Å; G167-V179 WeakPolarHBondContact CA-O 3.34Å; H168-V179 HydrophobicContact CB-CB 4.17Å; H168-V179 PolarHBondContact N-O 3.18Å; H168-V179 PolarHBondContact O-N 2.99Å; V179-V188 HydrophobicContact CG1-CG1 3.62Å; V179-L189 CarbonylContact C-O 3.54Å; V179-L189 WeakPolarHBondContact CA-O 3.06Å; V179-V190 HydrophobicContact CG1-CG2 4.23Å; V179-V190 HydrophobicContact CG2-CG1 4.1Å; V179-V190 HydrophobicContact CG2-CG2 4.1Å |
| 180 | Y | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.3 | 173.8 | -58.8 | -90 | 0 | 0 | 0 | 109 | F27 L142 F162 K166 T178 V188 L189 Y191 W214 | F27-Y180 HydrophobicContact CE2-CD1 4.35Å; F27-Y180 AromaticContact CE2-CE1 3.65Å; F27-Y180 HydrophobicContact CE2-CE1 3.65Å; F27-Y180 AromaticContact CZ-CE1 3.78Å; F27-Y180 HydrophobicContact CZ-CE1 3.78Å; L142-Y180 HydrophobicContact CB-CD1 4.24Å; L142-Y180 HydrophobicContact CB-CE1 3.7Å; L142-Y180 HydrophobicContact CD1-CD2 4.27Å; L142-Y180 HydrophobicContact CD1-CE2 4.19Å; L142-Y180 HydrophobicContact CD2-CD1 3.9Å; L142-Y180 HydrophobicContact CD2-CE1 4.24Å; L142-Y180 HydrophobicContact CD2-CG 4.13Å; L142-Y180 HydrophobicContact CG-CE1 4.4Å; L142-Y180 PolarHBondContact O-OH 2.89Å; F162-Y180 AromaticContact CD1-CD1 3.99Å; F162-Y180 HydrophobicContact CD1-CD1 3.99Å; F162-Y180 HydrophobicContact CD1-CE1 4.5Å; F162-Y180 HydrophobicContact CD2-CD1 4.48Å; F162-Y180 AromaticContact CE1-CD1 3.64Å; F162-Y180 HydrophobicContact CE1-CD1 3.64Å; F162-Y180 HydrophobicContact CE1-CG 4.49Å; F162-Y180 HydrophobicContact CE2-CD1 4.17Å; F162-Y180 HydrophobicContact CG-CD1 4.4Å; F162-Y180 AromaticContact CZ-CD1 3.75Å; F162-Y180 HydrophobicContact CZ-CD1 3.75Å; F162-Y180 HydrophobicContact CZ-CG 4.26Å; K166-Y180 WeakPolarHBondContact O-CA 3.43Å; T178-Y180 HydrophobicContact CG2-CD2 4.27Å; T178-Y180 HydrophobicContact CG2-CE1 4.29Å; T178-Y180 HydrophobicContact CG2-CE2 3.5Å; T178-Y180 WeakPolarHBondContact CG2-OH 3.32Å; Y180-V188 WeakPolarHBondContact O-CA 3.23Å; Y180-L189 HydrophobicContact CD2-CB 4.44Å; Y180-L189 PolarHBondContact N-O 2.88Å; Y180-L189 PolarHBondContact O-N 2.86Å; Y180-Y191 AromaticContact CE2-CD1 3.86Å; Y180-Y191 HydrophobicContact CE2-CD1 3.86Å; Y180-Y191 AromaticContact CE2-CE1 3.81Å; Y180-Y191 HydrophobicContact CE2-CE1 3.81Å; Y180-W214 HydrophobicContact CD2-CZ3 4.34Å; Y180-W214 HydrophobicContact CE2-CH2 4.17Å; Y180-W214 HydrophobicContact CE2-CZ3 4.34Å |
| 181 | E | 98 | Very high | 97.9 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 9% | 0.089 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.9 | 172.3 | -51.1 | 179.4 | -173.8 | 0 | 0 | 110.2 | V8 F162 K166 H168 P183 | V8-E181 HydrophobicContact CB-CG 4.11Å; V8-E181 VanDerWaalsContact CB-OE1 3.28Å; V8-E181 WeakPolarHBondContact CB-OE1 2.98Å; V8-E181 HydrophobicContact CG1-CG 4.08Å; V8-E181 HydrophobicContact CG2-CG 4.06Å; V8-E181 WeakPolarHBondContact CG2-OE1 3.48Å; F162-E181 WeakPolarHBondContact CZ-O 3.22Å; K166-E181 HydrophobicContact CB-CB 4.03Å; K166-E181 HydrophobicContact CD-CB 3.97Å; K166-E181 HydrophobicContact CD-CG 4.47Å; K166-E181 WeakPolarHBondContact CD-OE2 3.42Å; K166-E181 IonicContact NZ-OE2 2.95Å; K166-E181 PolarHBondContact NZ-OE2 3Å; K166-E181 VanDerWaalsContact NZ-OE2 3.09Å; K166-E181 PolarHBondContact O-N 2.93Å; H168-E181 IonicContact CD2-OE1 2.93Å; H168-E181 IonicContact CE1-OE1 3.26Å; H168-E181 IonicContact NE2-OE1 3.62Å; H168-E181 PolarHBondContact NE2-OE1 3.44Å; E181-P183 HydrophobicContact CB-CG 4.35Å |
| 182 | I | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 76.8 | 169.7 | -52.6 | 169.6 | 0 | 0 | 0 | 107.4 | V128 Y138 F162 E184 L185 Q186 L187 L189 | V128-I182 HydrophobicContact CG1-CD1 4.4Å; Y138-I182 HydrophobicContact CD1-CD1 4.09Å; Y138-I182 HydrophobicContact CD2-CG2 4.13Å; Y138-I182 HydrophobicContact CE1-CD1 3.66Å; Y138-I182 HydrophobicContact CE1-CG1 4.22Å; Y138-I182 HydrophobicContact CE1-CG2 4.29Å; Y138-I182 HydrophobicContact CE2-CG2 3.9Å; Y138-I182 HydrophobicContact CG-CG2 4.45Å; F162-I182 HydrophobicContact CE2-CG1 4.38Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 HydrophobicContact CG2-CG 4.13Å; I182-E184 PolarHBondContact O-N 3.12Å; I182-L185 HydrophobicContact CG2-CB 4.06Å; I182-L185 HydrophobicContact CG2-CD1 4.12Å; I182-L185 HydrophobicContact CG2-CG 4.1Å; I182-L185 CarbonylContact O-C 3.36Å; I182-L185 PolarHBondContact O-N 2.85Å; I182-Q186 PolarHBondContact O-N 2.94Å; I182-L187 WeakPolarHBondContact CA-O 3.14Å; I182-L187 HydrophobicContact CB-CB 4.32Å; I182-L187 HydrophobicContact CD1-CD2 4.08Å; I182-L187 PolarHBondContact N-O 2.87Å; I182-L187 PolarHBondContact O-N 3.12Å; I182-L189 HydrophobicContact CD1-CD1 4.05Å; I182-L189 HydrophobicContact CD1-CG 4.41Å |
| 183 | P | 95.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 17.5 Ų | 17.5 | 38% | 0.377 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -60.2 | -35.5 | -169.7 | -24.7 | 35.6 | 0 | 0 | 0 | 114 | K166 E181 L185 Q186 | K166-P183 HydrophobicContact CD-CG 4.14Å; E181-P183 HydrophobicContact CB-CG 4.35Å; P183-L185 PolarHBondContact O-N 2.99Å; P183-L185 VanDerWaalsContact O-N 3.13Å; P183-Q186 PolarHBondContact O-N 2.95Å |
| 184 | E | 95.4 | Very high | 97.9 | Very high | 127 Ų | 127 | 17.5 Ų | 17.5 | 59% | 0.593 | 9% | 0.087 | S | C | * | . | G | 310 helix | trans | -62.5 | -19.3 | 178.2 | 65 | -91.6 | -141.7 | 0 | 0 | 113.4 | Y138 I182 | Y138-E184 VanDerWaalsContact CE2-OE1 3.27Å; Y138-E184 WeakPolarHBondContact CE2-OE1 3.43Å; I182-E184 VanDerWaalsContact C-N 3.31Å; I182-E184 HydrophobicContact CG2-CG 4.13Å; I182-E184 PolarHBondContact O-N 3.12Å |
| 185 | L | 96.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 7% | 0.068 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -110 | 2.7 | 173.5 | -65.3 | -175.9 | 0 | 0 | 0 | 113 | V130 V137 Y138 I182 P183 L187 N220 | V130-L185 HydrophobicContact CB-CD1 3.8Å; V130-L185 HydrophobicContact CG1-CD1 3.82Å; V130-L185 HydrophobicContact CG2-CD1 3.92Å; V137-L185 HydrophobicContact CG2-CD1 4.24Å; V137-L185 HydrophobicContact CG2-CD2 4.02Å; Y138-L185 HydrophobicContact CG-CD1 4.2Å; I182-L185 HydrophobicContact CG2-CB 4.06Å; I182-L185 HydrophobicContact CG2-CD1 4.12Å; I182-L185 HydrophobicContact CG2-CG 4.1Å; I182-L185 CarbonylContact O-C 3.36Å; I182-L185 PolarHBondContact O-N 2.85Å; P183-L185 PolarHBondContact O-N 2.99Å; P183-L185 VanDerWaalsContact O-N 3.13Å; L185-L187 HydrophobicContact CB-CB 3.93Å; L185-L187 PolarHBondContact O-N 2.94Å; L185-N220 PolarHBondContact O-ND2 2.78Å |
| 186 | Q | 95 | Very high | 97.9 | Very high | 96 Ų | 96 | 17.1 Ų | 17.1 | 45% | 0.449 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41.8 | -173.7 | -56.1 | 177.8 | -60 | 0 | 0 | 111.5 | I182 P183 W219 | I182-Q186 PolarHBondContact O-N 2.94Å; P183-Q186 PolarHBondContact O-N 2.95Å; Q186-W219 HydrophobicContact CB-CB 4.2Å; Q186-W219 PolarHBondContact O-N 2.9Å; Q186-W219 PolarHBondContact OE1-O 2.99Å |
| 187 | L | 97.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.6 | -170.3 | 178.8 | 68.1 | 0 | 0 | 0 | 109.3 | V130 I182 L185 L189 V216 I217 L224 V226 | V130-L187 HydrophobicContact CG2-CD2 3.74Å; I182-L187 WeakPolarHBondContact CA-O 3.14Å; I182-L187 HydrophobicContact CB-CB 4.32Å; I182-L187 HydrophobicContact CD1-CD2 4.08Å; I182-L187 PolarHBondContact N-O 2.87Å; I182-L187 PolarHBondContact O-N 3.12Å; L185-L187 HydrophobicContact CB-CB 3.93Å; L185-L187 PolarHBondContact O-N 2.94Å; L187-L189 HydrophobicContact CD1-CD2 4.31Å; L187-L189 HydrophobicContact CD2-CD2 4.23Å; L187-L189 HydrophobicContact CG-CD2 4.15Å; L187-V216 HydrophobicContact CD1-CG1 3.65Å; L187-I217 CarbonylContact C-O 3.53Å; L187-I217 WeakPolarHBondContact CA-O 3.46Å; L187-L224 HydrophobicContact CD1-CD1 4.31Å; L187-L224 HydrophobicContact CD2-CD1 4.48Å; L187-V226 HydrophobicContact CD2-CG2 4.33Å |
| 188 | V | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.8 | 173.1 | 179 | 0 | 0 | 0 | 0 | 108.5 | V8 I12 V179 Y180 V190 I217 W219 | V8-V188 HydrophobicContact CG1-CG1 4.15Å; V8-V188 HydrophobicContact CG1-CG2 3.67Å; I12-V188 HydrophobicContact CD1-CG1 4.05Å; I12-V188 HydrophobicContact CG1-CG1 4.28Å; V179-V188 HydrophobicContact CG1-CG1 3.62Å; Y180-V188 WeakPolarHBondContact O-CA 3.23Å; V188-V190 HydrophobicContact CG1-CG2 4.01Å; V188-I217 HydrophobicContact CB-CB 4.37Å; V188-I217 PolarHBondContact N-O 3.49Å; V188-I217 PolarHBondContact O-N 2.73Å; V188-W219 HydrophobicContact CB-CZ3 4.35Å; V188-W219 HydrophobicContact CG2-CZ3 3.9Å |
| 189 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126 | 173.7 | -48.6 | 173.8 | 0 | 0 | 0 | 107.9 | V128 L142 V179 Y180 I182 L187 W214 V216 V226 I228 | V128-L189 HydrophobicContact CB-CD1 4.04Å; V128-L189 HydrophobicContact CG1-CD1 4.42Å; V128-L189 HydrophobicContact CG2-CD1 3.83Å; L142-L189 HydrophobicContact CD1-CD1 4.33Å; V179-L189 CarbonylContact C-O 3.54Å; V179-L189 WeakPolarHBondContact CA-O 3.06Å; Y180-L189 HydrophobicContact CD2-CB 4.44Å; Y180-L189 PolarHBondContact N-O 2.88Å; Y180-L189 PolarHBondContact O-N 2.86Å; I182-L189 HydrophobicContact CD1-CD1 4.05Å; I182-L189 HydrophobicContact CD1-CG 4.41Å; L187-L189 HydrophobicContact CD1-CD2 4.31Å; L187-L189 HydrophobicContact CD2-CD2 4.23Å; L187-L189 HydrophobicContact CG-CD2 4.15Å; L189-W214 HydrophobicContact CB-CE3 4.28Å; L189-W214 HydrophobicContact CB-CZ3 4.07Å; L189-V216 HydrophobicContact CD2-CB 4.34Å; L189-V216 HydrophobicContact CD2-CG1 3.83Å; L189-V216 HydrophobicContact CD2-CG2 4.14Å; L189-V226 HydrophobicContact CD2-CG1 4.38Å; L189-I228 HydrophobicContact CD1-CD1 4Å |
| 190 | V | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124 | 173.1 | -171.7 | 0 | 0 | 0 | 0 | 107.6 | I12 I17 V18 T178 V179 V188 W214 K215 I217 | I12-V190 HydrophobicContact CD1-CG2 4.48Å; I12-V190 HydrophobicContact CG2-CG2 4.12Å; I17-V190 HydrophobicContact CG2-CB 4.09Å; I17-V190 HydrophobicContact CG2-CG1 3.89Å; I17-V190 HydrophobicContact CG2-CG2 4.18Å; V18-V190 HydrophobicContact CG1-CG1 4.03Å; T178-V190 WeakPolarHBondContact O-CA 3.27Å; V179-V190 HydrophobicContact CG1-CG2 4.23Å; V179-V190 HydrophobicContact CG2-CG1 4.1Å; V179-V190 HydrophobicContact CG2-CG2 4.1Å; V188-V190 HydrophobicContact CG1-CG2 4.01Å; V190-W214 CarbonylContact O-C 3.59Å; V190-W214 WeakPolarHBondContact O-CA 3.41Å; V190-K215 PolarHBondContact N-O 3.06Å; V190-K215 PolarHBondContact O-N 2.91Å; V190-I217 HydrophobicContact CG2-CD1 3.95Å |
| 191 | Y | 97.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.9 | 163.1 | 80.9 | -104.8 | 0 | 0 | 0 | 110.9 | R100 W177 T178 Y180 Q193 F212 Y213 W214 | R100-Y191 PolarHBondContact NH2-OH 3.17Å; W177-Y191 CarbonylContact C-O 3.54Å; W177-Y191 VanDerWaalsContact CA-O 3.24Å; W177-Y191 WeakPolarHBondContact CA-O 3.2Å; T178-Y191 VanDerWaalsContact CB-CE1 3.4Å; T178-Y191 HydrophobicContact CG2-CE1 3.98Å; T178-Y191 PolarHBondContact N-O 3.07Å; T178-Y191 PolarHBondContact O-N 3.14Å; T178-Y191 VanDerWaalsContact OG1-CZ 3.23Å; T178-Y191 PolarHBondContact OG1-OH 3.25Å; T178-Y191 VanDerWaalsContact OG1-OH 3.12Å; Y180-Y191 AromaticContact CE2-CD1 3.86Å; Y180-Y191 HydrophobicContact CE2-CD1 3.86Å; Y180-Y191 AromaticContact CE2-CE1 3.81Å; Y180-Y191 HydrophobicContact CE2-CE1 3.81Å; Y191-Q193 HydrophobicContact CD2-CB 4.45Å; Y191-Q193 HydrophobicContact CE2-CB 4.15Å; Y191-F212 HydrophobicContact CD2-CD1 4.1Å; Y191-F212 HydrophobicContact CE2-CD1 4.14Å; Y191-Y213 CarbonylContact C-O 3.51Å; Y191-Y213 VanDerWaalsContact CA-O 3.28Å; Y191-Y213 WeakPolarHBondContact CA-O 3.29Å; Y191-W214 VanDerWaalsContact CB-CD2 3.48Å; Y191-W214 VanDerWaalsContact CB-CE2 3.46Å; Y191-W214 HydrophobicContact CD1-CE3 4.48Å; Y191-W214 AromaticContact CD1-CH2 3.34Å; Y191-W214 HydrophobicContact CD1-CH2 3.34Å; Y191-W214 AromaticContact CD1-CZ2 3.45Å; Y191-W214 HydrophobicContact CD1-CZ2 3.45Å; Y191-W214 VanDerWaalsContact CD1-CZ2 3.45Å; Y191-W214 AromaticContact CD1-CZ3 3.89Å; Y191-W214 HydrophobicContact CD1-CZ3 3.89Å; Y191-W214 HydrophobicContact CE1-CH2 4.15Å; Y191-W214 HydrophobicContact CE1-CZ2 4.25Å; Y191-W214 HydrophobicContact CG-CD2 4.46Å; Y191-W214 HydrophobicContact CG-CH2 4.08Å; Y191-W214 AromaticContact CG-CZ2 3.83Å; Y191-W214 HydrophobicContact CG-CZ2 3.83Å; Y191-W214 HydrophobicContact CG-CZ3 4.46Å |
| 192 | Q | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.5 | 166.1 | -175.1 | 179.9 | 27.7 | 0 | 0 | 108.1 | R175 S176 W177 I194 F212 Y213 | R175-Q192 VanDerWaalsContact NH1-NE2 3.19Å; S176-Q192 CarbonylContact O-C 3.57Å; S176-Q192 WeakPolarHBondContact O-CA 3.15Å; W177-Q192 HydrophobicContact CD2-CG 4.47Å; W177-Q192 HydrophobicContact CZ2-CG 4.26Å; Q192-I194 HydrophobicContact CB-CD1 4.2Å; Q192-I194 HydrophobicContact CG-CD1 3.85Å; Q192-I194 HydrophobicContact CG-CG1 3.98Å; Q192-I194 VanDerWaalsContact O-CD1 3.29Å; Q192-I194 WeakPolarHBondContact O-CD1 3.22Å; Q192-F212 CarbonylContact O-C 3.51Å; Q192-F212 WeakPolarHBondContact O-CA 3.21Å; Q192-Y213 HydrophobicContact CB-CD1 4.44Å; Q192-Y213 PolarHBondContact N-O 3.16Å; Q192-Y213 PolarHBondContact O-N 3.37Å |
| 193 | Q | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.1 | 168.3 | 170.7 | -178.2 | -62.7 | 0 | 0 | 109.2 | V88 I90 R175 S176 Y191 V211 F212 | V88-Q193 PolarHBondContact O-NE2 2.81Å; I90-Q193 HydrophobicContact CG2-CG 3.51Å; R175-Q193 WeakPolarHBondContact CA-O 3.29Å; R175-Q193 WeakPolarHBondContact CB-O 3.1Å; S176-Q193 PolarHBondContact N-O 2.84Å; S176-Q193 VanDerWaalsContact N-O 3.12Å; S176-Q193 PolarHBondContact O-N 3.48Å; S176-Q193 WeakPolarHBondContact OG-CB 3.29Å; S176-Q193 PolarHBondContact OG-NE2 2.94Å; Y191-Q193 HydrophobicContact CD2-CB 4.45Å; Y191-Q193 HydrophobicContact CE2-CB 4.15Å; Q193-V211 CarbonylContact C-O 3.55Å; Q193-V211 WeakPolarHBondContact CA-O 3.42Å; Q193-F212 HydrophobicContact CB-CD1 4.05Å; Q193-F212 HydrophobicContact CB-CE1 4.01Å; Q193-F212 HydrophobicContact CG-CD1 4.3Å; Q193-F212 HydrophobicContact CG-CE1 3.81Å |
| 194 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 120.3 | -179.2 | -51.8 | 94.8 | 0 | 0 | 0 | 109.7 | R175 Q192 A210 V211 W470 V474 I477 | R175-I194 HydrophobicContact CG-CG1 4.4Å; R175-I194 HydrophobicContact CG-CG2 4.37Å; Q192-I194 HydrophobicContact CB-CD1 4.2Å; Q192-I194 HydrophobicContact CG-CD1 3.85Å; Q192-I194 HydrophobicContact CG-CG1 3.98Å; Q192-I194 VanDerWaalsContact O-CD1 3.29Å; Q192-I194 WeakPolarHBondContact O-CD1 3.22Å; I194-A210 VanDerWaalsContact O-CA 3.29Å; I194-A210 WeakPolarHBondContact O-CA 3.34Å; I194-A210 WeakPolarHBondContact O-CB 3.38Å; I194-V211 HydrophobicContact CB-CB 4.43Å; I194-V211 HydrophobicContact CD1-CB 4.24Å; I194-V211 HydrophobicContact CD1-CG1 4.17Å; I194-V211 PolarHBondContact N-O 2.83Å; I194-V211 PolarHBondContact O-N 2.74Å; I194-W470 HydrophobicContact CD1-CE3 4.13Å; I194-W470 HydrophobicContact CD1-CZ3 4.38Å; I194-V474 HydrophobicContact CG1-CG2 3.77Å; I194-V474 HydrophobicContact CG2-CG2 3.95Å; I194-I477 HydrophobicContact CG2-CD1 4.27Å |
| 195 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -99.3 | 143.4 | 165.2 | -62 | 0 | 0 | 0 | 0 | 110.2 | P89 I90 G91 P174 V197 | P89-S195 PolarHBondContact O-OG 2.85Å; I90-S195 WeakPolarHBondContact CA-OG 3.34Å; G91-S195 PolarHBondContact N-OG 2.79Å; G91-S195 VanDerWaalsContact N-OG 3.13Å; G91-S195 WeakPolarHBondContact O-CB 3.36Å; P174-S195 PolarHBondContact O-N 2.91Å; S195-V197 PolarHBondContact O-N 2.79Å | ||
| 196 | P | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -79 | 41.3 | -173.8 | 35 | -38.9 | 0 | 0 | 0 | 113.3 | T204 T205 L207 V209 W473 | P196-T204 HydrophobicContact CB-CG2 3.72Å; P196-T204 CarbonylContact O-C 3.54Å; P196-T205 WeakPolarHBondContact O-CA 3.28Å; P196-T205 PolarHBondContact O-N 2.8Å; P196-L207 HydrophobicContact CG-CB 4.03Å; P196-V209 WeakPolarHBondContact CD-O 3.11Å; P196-V209 HydrophobicContact CG-CG2 3.85Å; P196-W473 HydrophobicContact CB-CD2 4.02Å; P196-W473 HydrophobicContact CB-CE3 3.8Å; P196-W473 HydrophobicContact CB-CH2 4.07Å; P196-W473 HydrophobicContact CB-CZ2 4.31Å; P196-W473 HydrophobicContact CB-CZ3 3.84Å; P196-W473 HydrophobicContact CG-CZ3 4.48Å | ||
| 197 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -93.5 | 110.4 | -177.1 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | I93 Y173 P174 S195 T205 W609 | I93-V197 HydrophobicContact CD1-CG1 4.27Å; I93-V197 HydrophobicContact CG1-CG1 4.47Å; Y173-V197 HydrophobicContact CE1-CG1 4.12Å; P174-V197 HydrophobicContact CB-CB 3.84Å; P174-V197 HydrophobicContact CB-CG2 4.35Å; P174-V197 HydrophobicContact CG-CB 4.2Å; S195-V197 PolarHBondContact O-N 2.79Å; V197-T205 HydrophobicContact CG1-CG2 4.24Å; V197-W609 HydrophobicContact CG1-CH2 3.79Å; V197-W609 HydrophobicContact CG1-CZ2 3.58Å | ||
| 198 | I | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | trans | -137.2 | 122.4 | -171.1 | -53.4 | 170.9 | 0 | 0 | 0 | 108.7 | D201 T204 T205 W473 K476 I477 W609 | I198-D201 HydrophobicContact CB-CB 3.97Å; I198-D201 HydrophobicContact CG2-CB 4.01Å; I198-D201 PolarHBondContact O-N 3.15Å; I198-T204 HydrophobicContact CD1-CG2 3.87Å; I198-T205 PolarHBondContact N-OG1 3.27Å; I198-T205 PolarHBondContact O-OG1 2.85Å; I198-W473 HydrophobicContact CD1-CB 3.97Å; I198-W473 HydrophobicContact CD1-CG 4.17Å; I198-K476 HydrophobicContact CD1-CB 4.14Å; I198-K476 HydrophobicContact CD1-CD 3.92Å; I198-K476 HydrophobicContact CG2-CB 3.9Å; I198-K476 HydrophobicContact CG2-CD 4.23Å; I198-I477 HydrophobicContact CG1-CG1 4.11Å; I198-W609 PolarHBondContact O-NE1 3.17Å | ||
| 199 | P | 98.6 | Very high | 98.5 | Very high | 17 Ų | 17 | 14.7 Ų | 14.7 | 11% | 0.11 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 144.3 | 176.5 | -26.3 | 35 | 0 | 0 | 0 | 112.5 | D201 W480 L608 W609 | P199-D201 PolarHBondContact O-N 2.82Å; P199-W480 HydrophobicContact CG-CD2 3.43Å; P199-W480 VanDerWaalsContact CG-CD2 3.43Å; P199-W480 HydrophobicContact CG-CE3 3.86Å; P199-W480 HydrophobicContact CG-CG 3.81Å; P199-W480 HydrophobicContact CG-CH2 4.07Å; P199-W480 HydrophobicContact CG-CZ2 3.68Å; P199-W480 HydrophobicContact CG-CZ3 4.15Å; P199-L608 CarbonylContact C-O 3.39Å; P199-L608 WeakPolarHBondContact CA-O 3.22Å; P199-L608 HydrophobicContact CB-CB 4.12Å; P199-L608 HydrophobicContact CB-CD2 4.06Å; P199-L608 WeakPolarHBondContact CB-O 3.41Å; P199-L608 HydrophobicContact CG-CB 4.34Å; P199-L608 HydrophobicContact CG-CD2 3.85Å; P199-W609 HydrophobicContact CG-CZ2 4.47Å |
| 200 | H | 97.9 | Very high | 98.5 | Very high | 111 Ų | 111 | 14.7 Ų | 14.7 | 51% | 0.514 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -4.3 | -177.4 | -52 | -87.7 | 0 | 0 | 0 | 116.7 | Y202 L608 | H200-Y202 VanDerWaalsContact O-CD2 3.23Å; H200-Y202 WeakPolarHBondContact O-CD2 3.46Å; H200-Y202 VanDerWaalsContact O-CE2 3.31Å; H200-Y202 WeakPolarHBondContact O-CE2 3.07Å; H200-Y202 PolarHBondContact O-N 2.94Å; H200-L608 PolarHBondContact N-O 2.76Å |
| 201 | D | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 14.6 Ų | 14.6 | 17% | 0.166 | 7% | 0.071 | C | C | . | . | trans | -98.8 | 82.5 | 173.8 | -166.1 | -34.7 | 0 | 0 | 0 | 110 | I198 P199 Q203 T204 T205 K476 | I198-D201 HydrophobicContact CB-CB 3.97Å; I198-D201 HydrophobicContact CG2-CB 4.01Å; I198-D201 PolarHBondContact O-N 3.15Å; P199-D201 PolarHBondContact O-N 2.82Å; D201-Q203 VanDerWaalsContact C-N 3.3Å; D201-Q203 PolarHBondContact O-N 3.34Å; D201-T204 VanDerWaalsContact CG-CB 3.5Å; D201-T204 VanDerWaalsContact CG-OG1 3.25Å; D201-T204 WeakPolarHBondContact OD1-CB 3.25Å; D201-T204 PolarHBondContact OD1-N 2.6Å; D201-T204 PolarHBondContact OD1-OG1 3.18Å; D201-T204 PolarHBondContact OD2-OG1 2.78Å; D201-T205 WeakPolarHBondContact O-CB 3.4Å; D201-T205 PolarHBondContact O-N 3.28Å; D201-T205 VanDerWaalsContact O-N 3.1Å; D201-T205 PolarHBondContact O-OG1 3.01Å; D201-K476 IonicContact OD2-NZ 2.85Å; D201-K476 PolarHBondContact OD2-NZ 2.75Å | ||
| 202 | Y | 98.2 | Very high | 98.6 | Very high | 23 Ų | 23 | 14.5 Ų | 14.5 | 9% | 0.09 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.3 | -173.4 | -58.4 | -85.8 | 0 | 0 | 0 | 113.2 | H200 R446 W512 I578 W609 P610 K611 I612 | H200-Y202 VanDerWaalsContact O-CD2 3.23Å; H200-Y202 WeakPolarHBondContact O-CD2 3.46Å; H200-Y202 VanDerWaalsContact O-CE2 3.31Å; H200-Y202 WeakPolarHBondContact O-CE2 3.07Å; H200-Y202 PolarHBondContact O-N 2.94Å; Y202-R446 PolarHBondContact O-NH1 3.2Å; Y202-W512 HydrophobicContact CD1-CH2 4.01Å; Y202-W512 HydrophobicContact CD1-CZ2 4.45Å; Y202-I578 HydrophobicContact CD1-CD1 4.34Å; Y202-W609 HydrophobicContact CE1-CB 3.88Å; Y202-W609 AromaticContact CE1-CD1 3.92Å; Y202-W609 HydrophobicContact CE1-CG 4.33Å; Y202-P610 WeakPolarHBondContact OH-CD 3.21Å; Y202-K611 HydrophobicContact CE1-CB 3.8Å; Y202-K611 HydrophobicContact CE1-CG 4.49Å; Y202-K611 HydrophobicContact CE2-CB 4.34Å; Y202-K611 HydrophobicContact CE2-CD 3.98Å; Y202-K611 HydrophobicContact CE2-CG 4.19Å; Y202-K611 PolarHBondContact OH-N 3.49Å; Y202-K611 VanDerWaalsContact OH-N 3.14Å; Y202-I612 HydrophobicContact CD1-CD1 4.21Å; Y202-I612 HydrophobicContact CD1-CG1 3.99Å; Y202-I612 HydrophobicContact CE1-CD1 4.41Å; Y202-I612 HydrophobicContact CE1-CG1 3.97Å |
| 203 | Q | 97.9 | Very high | 98.6 | Very high | 79 Ų | 79 | 14.4 Ų | 14.4 | 37% | 0.369 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -53.4 | 178 | 177.2 | 174.8 | -9.7 | 0 | 0 | 110.6 | D201 T205 C206 W450 | D201-Q203 VanDerWaalsContact C-N 3.3Å; D201-Q203 PolarHBondContact O-N 3.34Å; Q203-T205 VanDerWaalsContact C-N 3.34Å; Q203-T205 PolarHBondContact O-N 2.92Å; Q203-C206 PolarHBondContact O-N 2.83Å; Q203-C206 PolarHBondContact O-SG 3.22Å; Q203-W450 HydrophobicContact CB-CH2 4.43Å; Q203-W450 HydrophobicContact CB-CZ2 4.26Å; Q203-W450 HydrophobicContact CG-CD2 3.64Å; Q203-W450 HydrophobicContact CG-CE3 3.82Å; Q203-W450 HydrophobicContact CG-CG 4.16Å; Q203-W450 HydrophobicContact CG-CH2 4.39Å; Q203-W450 HydrophobicContact CG-CZ2 4.14Å; Q203-W450 HydrophobicContact CG-CZ3 4.19Å; Q203-W450 VanDerWaalsContact NE2-CD1 3.34Å; Q203-W450 VanDerWaalsContact NE2-CG 3.33Å |
| 204 | T | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 9% | 0.086 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -65.7 | -38.9 | -177.1 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | P196 I198 D201 C206 L207 W473 | P196-T204 HydrophobicContact CB-CG2 3.72Å; P196-T204 CarbonylContact O-C 3.54Å; I198-T204 HydrophobicContact CD1-CG2 3.87Å; D201-T204 VanDerWaalsContact CG-CB 3.5Å; D201-T204 VanDerWaalsContact CG-OG1 3.25Å; D201-T204 WeakPolarHBondContact OD1-CB 3.25Å; D201-T204 PolarHBondContact OD1-N 2.6Å; D201-T204 PolarHBondContact OD1-OG1 3.18Å; D201-T204 PolarHBondContact OD2-OG1 2.78Å; T204-C206 PolarHBondContact O-N 2.87Å; T204-C206 VanDerWaalsContact O-N 3.1Å; T204-L207 VanDerWaalsContact O-CG 3.28Å; T204-L207 WeakPolarHBondContact O-CG 3.39Å; T204-L207 PolarHBondContact O-N 2.96Å; T204-W473 HydrophobicContact CG2-CD2 4.31Å; T204-W473 HydrophobicContact CG2-CG 4.28Å; T204-W473 HydrophobicContact CG2-CZ2 4.32Å |
| 205 | T | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -61.7 | -21.8 | -177.6 | -66.7 | 0 | 0 | 0 | 0 | 114.4 | G92 I93 P196 V197 I198 D201 Q203 W609 | G92-T205 CarbonylContact C-O 3.55Å; G92-T205 WeakPolarHBondContact CA-O 3.4Å; I93-T205 HydrophobicContact CB-CG2 3.9Å; I93-T205 HydrophobicContact CD1-CG2 3.47Å; I93-T205 VanDerWaalsContact CD1-CG2 3.47Å; I93-T205 HydrophobicContact CG1-CG2 3.63Å; I93-T205 PolarHBondContact N-O 2.91Å; P196-T205 WeakPolarHBondContact O-CA 3.28Å; P196-T205 PolarHBondContact O-N 2.8Å; V197-T205 HydrophobicContact CG1-CG2 4.24Å; I198-T205 PolarHBondContact N-OG1 3.27Å; I198-T205 PolarHBondContact O-OG1 2.85Å; D201-T205 WeakPolarHBondContact O-CB 3.4Å; D201-T205 PolarHBondContact O-N 3.28Å; D201-T205 VanDerWaalsContact O-N 3.1Å; D201-T205 PolarHBondContact O-OG1 3.01Å; Q203-T205 VanDerWaalsContact C-N 3.34Å; Q203-T205 PolarHBondContact O-N 2.92Å; T205-W609 HydrophobicContact CG2-CZ2 4.19Å |
| 206 | C | 98.2 | Very high | 98.6 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -93.7 | 2.1 | -178.1 | 73.1 | 0 | 0 | 0 | 0 | 115 | I93 S95 Q203 T204 W512 | I93-C206 VanDerWaalsContact O-CA 3.29Å; I93-C206 WeakPolarHBondContact O-CA 3.34Å; S95-C206 WeakPolarHBondContact CB-O 3.46Å; S95-C206 PolarHBondContact OG-O 2.82Å; Q203-C206 PolarHBondContact O-N 2.83Å; Q203-C206 PolarHBondContact O-SG 3.22Å; T204-C206 PolarHBondContact O-N 2.87Å; T204-C206 VanDerWaalsContact O-N 3.1Å; C206-W512 HydrophobicContact CB-CE3 3.6Å; C206-W512 HydrophobicContact CB-CZ3 3.76Å |
| 207 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | trans | -74.5 | 134.2 | -171.9 | -59.2 | -177.8 | 0 | 0 | 0 | 113.1 | G92 P196 T204 V209 F451 L462 W473 | G92-L207 WeakPolarHBondContact CA-O 3Å; G92-L207 PolarHBondContact N-O 2.92Å; P196-L207 HydrophobicContact CG-CB 4.03Å; T204-L207 VanDerWaalsContact O-CG 3.28Å; T204-L207 WeakPolarHBondContact O-CG 3.39Å; T204-L207 PolarHBondContact O-N 2.96Å; L207-V209 HydrophobicContact CB-CG2 3.83Å; L207-V209 PolarHBondContact O-N 3.42Å; L207-F451 HydrophobicContact CD2-CD2 4.12Å; L207-F451 HydrophobicContact CD2-CE2 3.51Å; L207-F451 HydrophobicContact CD2-CZ 4.31Å; L207-L462 HydrophobicContact CD2-CD2 4.19Å; L207-W473 HydrophobicContact CD1-CH2 4.5Å; L207-W473 HydrophobicContact CD1-CZ2 4.19Å | ||
| 208 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -82.5 | 56.4 | 177.5 | 34.4 | -36.6 | 0 | 0 | 0 | 111.3 | S95 T428 W429 Y447 L462 | S95-P208 WeakPolarHBondContact OG-CA 3.29Å; P208-T428 VanDerWaalsContact O-CA 3.26Å; P208-T428 WeakPolarHBondContact O-CA 3.47Å; P208-T428 WeakPolarHBondContact O-CB 3.4Å; P208-T428 PolarHBondContact O-OG1 2.62Å; P208-W429 HydrophobicContact CB-CD2 4.25Å; P208-W429 HydrophobicContact CB-CG 4.26Å; P208-W429 HydrophobicContact CB-CZ2 4.33Å; P208-W429 PolarHBondContact O-N 2.92Å; P208-Y447 HydrophobicContact CB-CE1 4.41Å; P208-Y447 HydrophobicContact CG-CD1 4.03Å; P208-Y447 HydrophobicContact CG-CD2 4.41Å; P208-Y447 HydrophobicContact CG-CE1 3.65Å; P208-Y447 HydrophobicContact CG-CE2 4.13Å; P208-Y447 HydrophobicContact CG-CG 4.39Å; P208-L462 HydrophobicContact CG-CD1 3.97Å |
| 209 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.3 | -175.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | P196 L207 I427 L462 A466 W473 | P196-V209 WeakPolarHBondContact CD-O 3.11Å; P196-V209 HydrophobicContact CG-CG2 3.85Å; L207-V209 HydrophobicContact CB-CG2 3.83Å; L207-V209 PolarHBondContact O-N 3.42Å; V209-I427 VanDerWaalsContact CA-O 3.23Å; V209-I427 WeakPolarHBondContact CA-O 3.3Å; V209-L462 HydrophobicContact CG1-CB 3.92Å; V209-L462 HydrophobicContact CG1-CD2 4.08Å; V209-A466 HydrophobicContact CB-CB 4.19Å; V209-A466 HydrophobicContact CG1-CB 4.49Å; V209-A466 HydrophobicContact CG2-CB 4.14Å; V209-W473 HydrophobicContact CG2-CH2 3.79Å; V209-W473 HydrophobicContact CG2-CZ3 4.12Å |
| 210 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I90 I194 A426 I427 | I90-A210 HydrophobicContact CB-CB 3.66Å; I90-A210 HydrophobicContact CD1-CB 4.32Å; I90-A210 HydrophobicContact CG2-CB 3.75Å; I194-A210 VanDerWaalsContact O-CA 3.29Å; I194-A210 WeakPolarHBondContact O-CA 3.34Å; I194-A210 WeakPolarHBondContact O-CB 3.38Å; A210-A426 WeakPolarHBondContact O-CA 3.43Å; A210-I427 HydrophobicContact CB-CG2 4Å; A210-I427 PolarHBondContact N-O 3.04Å; A210-I427 VanDerWaalsContact N-O 3.09Å; A210-I427 PolarHBondContact O-N 3Å |
| 211 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.9 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | Q193 I194 F425 A426 A466 W470 W473 | Q193-V211 CarbonylContact C-O 3.55Å; Q193-V211 WeakPolarHBondContact CA-O 3.42Å; I194-V211 HydrophobicContact CB-CB 4.43Å; I194-V211 HydrophobicContact CD1-CB 4.24Å; I194-V211 HydrophobicContact CD1-CG1 4.17Å; I194-V211 PolarHBondContact N-O 2.83Å; I194-V211 PolarHBondContact O-N 2.74Å; V211-F425 CarbonylContact C-O 3.56Å; V211-F425 WeakPolarHBondContact CA-O 3.44Å; V211-F425 WeakPolarHBondContact CG1-O 3.49Å; V211-A426 HydrophobicContact CG2-CB 4.32Å; V211-A466 HydrophobicContact CG2-CB 4.04Å; V211-W470 HydrophobicContact CB-CB 4.11Å; V211-W470 HydrophobicContact CB-CG 4.3Å; V211-W470 HydrophobicContact CG1-CB 4.17Å; V211-W470 HydrophobicContact CG1-CD2 4.02Å; V211-W470 HydrophobicContact CG1-CG 3.81Å; V211-W470 HydrophobicContact CG2-CB 3.7Å; V211-W470 HydrophobicContact CG2-CG 4.12Å; V211-W473 HydrophobicContact CG2-CZ3 4.32Å |
| 212 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 102.4 | 169.1 | -54.1 | -73.6 | 0 | 0 | 0 | 108.5 | I90 F106 F126 Y191 Q192 Q193 F230 F425 I427 | I90-F212 HydrophobicContact CD1-CZ 4.24Å; I90-F212 HydrophobicContact CG2-CE1 4.48Å; I90-F212 HydrophobicContact CG2-CZ 4.38Å; F106-F212 HydrophobicContact CE1-CE2 4.46Å; F106-F212 AromaticContact CE1-CZ 3.86Å; F106-F212 HydrophobicContact CE1-CZ 3.86Å; F106-F212 HydrophobicContact CZ-CE2 4.42Å; F106-F212 HydrophobicContact CZ-CZ 4.04Å; F126-F212 HydrophobicContact CE2-CD1 4.4Å; F126-F212 HydrophobicContact CE2-CG 4.33Å; F126-F212 HydrophobicContact CZ-CB 4.02Å; F126-F212 HydrophobicContact CZ-CD1 4.21Å; F126-F212 AromaticContact CZ-CD2 3.71Å; F126-F212 HydrophobicContact CZ-CD2 3.71Å; F126-F212 HydrophobicContact CZ-CE2 4.21Å; F126-F212 AromaticContact CZ-CG 3.69Å; F126-F212 HydrophobicContact CZ-CG 3.69Å; Y191-F212 HydrophobicContact CD2-CD1 4.1Å; Y191-F212 HydrophobicContact CE2-CD1 4.14Å; Q192-F212 CarbonylContact O-C 3.51Å; Q192-F212 WeakPolarHBondContact O-CA 3.21Å; Q193-F212 HydrophobicContact CB-CD1 4.05Å; Q193-F212 HydrophobicContact CB-CE1 4.01Å; Q193-F212 HydrophobicContact CG-CD1 4.3Å; Q193-F212 HydrophobicContact CG-CE1 3.81Å; F212-F230 AromaticContact CD2-CE1 3.98Å; F212-F230 HydrophobicContact CD2-CE1 3.98Å; F212-F230 HydrophobicContact CD2-CZ 4.41Å; F212-F230 AromaticContact CE2-CE1 3.82Å; F212-F230 HydrophobicContact CE2-CE1 3.82Å; F212-F230 AromaticContact CE2-CZ 3.9Å; F212-F230 HydrophobicContact CE2-CZ 3.9Å; F212-F425 HydrophobicContact CB-CB 4.27Å; F212-F425 PolarHBondContact N-O 3.19Å; F212-F425 PolarHBondContact O-N 3.1Å; F212-I427 HydrophobicContact CE2-CB 4.35Å; F212-I427 HydrophobicContact CE2-CG2 3.67Å; F212-I427 HydrophobicContact CZ-CG2 4.25Å |
| 213 | Y | 98.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.9 | 178.7 | 170.7 | -126.6 | 0 | 0 | 0 | 109.7 | Y191 Q192 K215 E422 E424 W470 R471 | Y191-Y213 CarbonylContact C-O 3.51Å; Y191-Y213 VanDerWaalsContact CA-O 3.28Å; Y191-Y213 WeakPolarHBondContact CA-O 3.29Å; Q192-Y213 HydrophobicContact CB-CD1 4.44Å; Q192-Y213 PolarHBondContact N-O 3.16Å; Q192-Y213 PolarHBondContact O-N 3.37Å; Y213-K215 HydrophobicContact CE1-CG 4.28Å; Y213-E422 HydrophobicContact CE2-CB 3.92Å; Y213-E422 HydrophobicContact CE2-CG 4.23Å; Y213-E422 VanDerWaalsContact CE2-OE2 3.28Å; Y213-E422 WeakPolarHBondContact CE2-OE2 3.33Å; Y213-E422 VanDerWaalsContact CZ-OE2 3.31Å; Y213-E422 PolarHBondContact OH-OE1 3.42Å; Y213-E422 PolarHBondContact OH-OE2 2.87Å; Y213-E424 HydrophobicContact CD2-CG 4.04Å; Y213-W470 AromaticContact CD1-CH2 3.44Å; Y213-W470 HydrophobicContact CD1-CH2 3.44Å; Y213-W470 VanDerWaalsContact CD1-CH2 3.44Å; Y213-W470 HydrophobicContact CD1-CZ2 4.37Å; Y213-W470 AromaticContact CD1-CZ3 3.9Å; Y213-W470 HydrophobicContact CD1-CZ3 3.9Å; Y213-W470 AromaticContact CD2-CH2 3.46Å; Y213-W470 HydrophobicContact CD2-CH2 3.46Å; Y213-W470 VanDerWaalsContact CD2-CH2 3.46Å; Y213-W470 AromaticContact CD2-CZ2 3.56Å; Y213-W470 HydrophobicContact CD2-CZ2 3.56Å; Y213-W470 AromaticContact CE1-CH2 3.7Å; Y213-W470 HydrophobicContact CE1-CH2 3.7Å; Y213-W470 HydrophobicContact CE1-CZ3 4.38Å; Y213-W470 AromaticContact CE2-CH2 3.73Å; Y213-W470 HydrophobicContact CE2-CH2 3.73Å; Y213-W470 AromaticContact CE2-CZ2 3.9Å; Y213-W470 HydrophobicContact CE2-CZ2 3.9Å; Y213-W470 AromaticContact CG-CH2 3.26Å; Y213-W470 HydrophobicContact CG-CH2 3.26Å; Y213-W470 AromaticContact CG-CZ2 3.78Å; Y213-W470 HydrophobicContact CG-CZ2 3.78Å; Y213-W470 AromaticContact CG-CZ3 3.93Å; Y213-W470 HydrophobicContact CG-CZ3 3.93Å; Y213-W470 AromaticContact CZ-CH2 3.8Å; Y213-R471 PolarHBondContact OH-NH1 2.93Å |
| 214 | W | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.1 | -176.3 | -68.5 | 76.5 | 0 | 0 | 0 | 111 | F126 L142 Y180 L189 V190 Y191 I228 E422 L423 F425 | F126-W214 HydrophobicContact CB-CH2 4.15Å; F126-W214 HydrophobicContact CB-CZ2 4.03Å; F126-W214 HydrophobicContact CD1-CH2 4.41Å; F126-W214 AromaticContact CD1-CZ2 3.49Å; F126-W214 HydrophobicContact CD1-CZ2 3.49Å; F126-W214 VanDerWaalsContact CD1-CZ2 3.49Å; F126-W214 AromaticContact CD2-CZ2 3.91Å; F126-W214 HydrophobicContact CD2-CZ2 3.91Å; F126-W214 AromaticContact CE1-CZ2 3.82Å; F126-W214 HydrophobicContact CE1-CZ2 3.82Å; F126-W214 AromaticContact CE1-NE1 3.81Å; F126-W214 HydrophobicContact CE2-CZ2 4.22Å; F126-W214 HydrophobicContact CG-CH2 4.14Å; F126-W214 AromaticContact CG-CZ2 3.53Å; F126-W214 HydrophobicContact CG-CZ2 3.53Å; F126-W214 HydrophobicContact CZ-CZ2 4.18Å; L142-W214 HydrophobicContact CD1-CH2 3.66Å; L142-W214 HydrophobicContact CD1-CZ3 3.97Å; Y180-W214 HydrophobicContact CD2-CZ3 4.34Å; Y180-W214 HydrophobicContact CE2-CH2 4.17Å; Y180-W214 HydrophobicContact CE2-CZ3 4.34Å; L189-W214 HydrophobicContact CB-CE3 4.28Å; L189-W214 HydrophobicContact CB-CZ3 4.07Å; V190-W214 CarbonylContact O-C 3.59Å; V190-W214 WeakPolarHBondContact O-CA 3.41Å; Y191-W214 VanDerWaalsContact CB-CD2 3.48Å; Y191-W214 VanDerWaalsContact CB-CE2 3.46Å; Y191-W214 HydrophobicContact CD1-CE3 4.48Å; Y191-W214 AromaticContact CD1-CH2 3.34Å; Y191-W214 HydrophobicContact CD1-CH2 3.34Å; Y191-W214 AromaticContact CD1-CZ2 3.45Å; Y191-W214 HydrophobicContact CD1-CZ2 3.45Å; Y191-W214 VanDerWaalsContact CD1-CZ2 3.45Å; Y191-W214 AromaticContact CD1-CZ3 3.89Å; Y191-W214 HydrophobicContact CD1-CZ3 3.89Å; Y191-W214 HydrophobicContact CE1-CH2 4.15Å; Y191-W214 HydrophobicContact CE1-CZ2 4.25Å; Y191-W214 HydrophobicContact CG-CD2 4.46Å; Y191-W214 HydrophobicContact CG-CH2 4.08Å; Y191-W214 AromaticContact CG-CZ2 3.83Å; Y191-W214 HydrophobicContact CG-CZ2 3.83Å; Y191-W214 HydrophobicContact CG-CZ3 4.46Å; W214-I228 HydrophobicContact CD2-CG1 4.41Å; W214-I228 HydrophobicContact CD2-CG2 4.19Å; W214-I228 HydrophobicContact CE3-CD1 4.35Å; W214-I228 HydrophobicContact CE3-CG1 4.34Å; W214-I228 HydrophobicContact CH2-CG2 4.41Å; W214-I228 HydrophobicContact CZ2-CG2 4.04Å; W214-I228 HydrophobicContact CZ3-CD1 4.39Å; W214-E422 CarbonylContact O-C 3.56Å; W214-E422 WeakPolarHBondContact O-CA 3.4Å; W214-L423 HydrophobicContact CB-CB 4.08Å; W214-L423 PolarHBondContact N-O 2.52Å; W214-L423 PolarHBondContact O-N 2.92Å; W214-F425 AromaticContact CD1-CD2 3.63Å; W214-F425 AromaticContact CD1-CE2 3.98Å; W214-F425 AromaticContact NE1-CD2 3.73Å |
| 215 | K | 98.5 | Very high | 97 | Very high | 45 Ų | 45 | 24 Ų | 24 | 20% | 0.196 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.9 | 162.3 | -64.5 | -167.3 | 176.8 | -171.1 | 0 | 109.2 | I17 V190 Y213 I217 E422 | I17-K215 HydrophobicContact CD1-CD 4.17Å; I17-K215 HydrophobicContact CG1-CD 4.11Å; I17-K215 HydrophobicContact CG2-CD 3.99Å; V190-K215 PolarHBondContact N-O 3.06Å; V190-K215 PolarHBondContact O-N 2.91Å; Y213-K215 HydrophobicContact CE1-CG 4.28Å; K215-I217 HydrophobicContact CB-CG1 4.35Å; K215-E422 HydrophobicContact CG-CG 4.47Å |
| 216 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.9 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | L187 L189 V226 V407 Q420 S421 L423 | L187-V216 HydrophobicContact CD1-CG1 3.65Å; L189-V216 HydrophobicContact CD2-CB 4.34Å; L189-V216 HydrophobicContact CD2-CG1 3.83Å; L189-V216 HydrophobicContact CD2-CG2 4.14Å; V216-V226 HydrophobicContact CG1-CB 4.13Å; V216-V226 HydrophobicContact CG1-CG1 4.05Å; V216-V226 HydrophobicContact CG1-CG2 3.91Å; V216-V226 HydrophobicContact CG2-CG1 4.33Å; V216-V407 HydrophobicContact CB-CG2 4.16Å; V216-V407 HydrophobicContact CG1-CG2 3.58Å; V216-Q420 CarbonylContact O-C 3.59Å; V216-Q420 VanDerWaalsContact O-CA 3.27Å; V216-Q420 WeakPolarHBondContact O-CA 3.5Å; V216-S421 PolarHBondContact N-O 2.82Å; V216-S421 PolarHBondContact O-N 3.39Å; V216-L423 HydrophobicContact CG2-CD1 4.44Å |
| 217 | I | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.5 | -168.9 | -51 | 166.6 | 0 | 0 | 0 | 108.4 | I12 I17 L187 V188 V190 K215 W219 P418 Q420 | I12-I217 HydrophobicContact CD1-CD1 3.47Å; I12-I217 VanDerWaalsContact CD1-CD1 3.47Å; I17-I217 HydrophobicContact CD1-CD1 3.35Å; I17-I217 HydrophobicContact CD1-CG1 4.26Å; L187-I217 CarbonylContact C-O 3.53Å; L187-I217 WeakPolarHBondContact CA-O 3.46Å; V188-I217 HydrophobicContact CB-CB 4.37Å; V188-I217 PolarHBondContact N-O 3.49Å; V188-I217 PolarHBondContact O-N 2.73Å; V190-I217 HydrophobicContact CG2-CD1 3.95Å; K215-I217 HydrophobicContact CB-CG1 4.35Å; I217-W219 HydrophobicContact CB-CZ3 4.31Å; I217-W219 HydrophobicContact CG2-CE3 4.31Å; I217-W219 HydrophobicContact CG2-CH2 3.45Å; I217-W219 VanDerWaalsContact CG2-CH2 3.45Å; I217-W219 HydrophobicContact CG2-CZ2 4.12Å; I217-W219 HydrophobicContact CG2-CZ3 3.55Å; I217-P418 HydrophobicContact CG2-CB 3.41Å; I217-P418 VanDerWaalsContact CG2-CB 3.41Å; I217-P418 HydrophobicContact CG2-CG 3.45Å; I217-P418 VanDerWaalsContact CG2-CG 3.45Å; I217-Q420 HydrophobicContact CG1-CG 4.39Å; I217-Q420 HydrophobicContact CG2-CG 4.36Å |
| 218 | S | 95.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.3 | -172.1 | -177.2 | 0 | 0 | 0 | 0 | 112 | N220 S419 | S218-N220 VanDerWaalsContact OG-CB 3.28Å; S218-N220 WeakPolarHBondContact OG-CB 3.31Å; S218-N220 PolarHBondContact OG-N 2.87Å; S218-N220 VanDerWaalsContact OG-N 3.07Å; S218-S419 PolarHBondContact N-O 2.84Å; S218-S419 PolarHBondContact O-N 2.62Å |
| 219 | W | 93.8 | Very high | 96.9 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 16% | 0.159 | 11% | 0.11 | C | C | . | . | trans | -106.3 | 11.5 | 164.3 | -65.9 | -94.1 | 0 | 0 | 0 | 111.6 | V11 I12 Q186 V188 I217 N415 P418 | V11-W219 HydrophobicContact CG1-CH2 4.3Å; V11-W219 HydrophobicContact CG1-CZ2 3.99Å; I12-W219 HydrophobicContact CD1-CH2 4.49Å; Q186-W219 HydrophobicContact CB-CB 4.2Å; Q186-W219 PolarHBondContact O-N 2.9Å; Q186-W219 PolarHBondContact OE1-O 2.99Å; V188-W219 HydrophobicContact CB-CZ3 4.35Å; V188-W219 HydrophobicContact CG2-CZ3 3.9Å; I217-W219 HydrophobicContact CB-CZ3 4.31Å; I217-W219 HydrophobicContact CG2-CE3 4.31Å; I217-W219 HydrophobicContact CG2-CH2 3.45Å; I217-W219 VanDerWaalsContact CG2-CH2 3.45Å; I217-W219 HydrophobicContact CG2-CZ2 4.12Å; I217-W219 HydrophobicContact CG2-CZ3 3.55Å; W219-N415 VanDerWaalsContact CZ2-O 3.23Å; W219-N415 WeakPolarHBondContact CZ2-O 3.48Å; W219-N415 PolarHBondContact NE1-O 2.8Å; W219-P418 HydrophobicContact CD2-CB 3.96Å; W219-P418 HydrophobicContact CE3-CB 4.43Å; W219-P418 HydrophobicContact CG-CB 4.46Å; W219-P418 HydrophobicContact CH2-CB 4.19Å; W219-P418 HydrophobicContact CH2-CG 4.27Å; W219-P418 HydrophobicContact CZ2-CB 3.67Å; W219-P418 HydrophobicContact CZ2-CG 3.72Å | ||
| 220 | N | 93.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.043 | 11% | 0.11 | C | C | . | . | trans | -65.8 | 140.2 | -179.2 | -155.3 | -69.9 | 0 | 0 | 0 | 111.2 | L185 S218 E222 L224 R409 C410 | L185-N220 PolarHBondContact O-ND2 2.78Å; S218-N220 VanDerWaalsContact OG-CB 3.28Å; S218-N220 WeakPolarHBondContact OG-CB 3.31Å; S218-N220 PolarHBondContact OG-N 2.87Å; S218-N220 VanDerWaalsContact OG-N 3.07Å; N220-E222 PolarHBondContact O-N 2.96Å; N220-E222 PolarHBondContact OD1-N 3.08Å; N220-L224 HydrophobicContact CB-CD1 3.86Å; N220-L224 HydrophobicContact CB-CD2 4.49Å; N220-L224 HydrophobicContact CB-CG 4.16Å; N220-R409 WeakPolarHBondContact O-CA 3.41Å; N220-C410 PolarHBondContact O-N 2.65Å | ||
| 221 | K | 91.4 | Very high | 96.9 | Very high | 165 Ų | 165 | 24.1 Ų | 24.1 | 72% | 0.717 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -77.1 | -1.6 | 177.2 | -62.2 | -176 | 179.8 | -178.8 | 0 | 113.8 | R409 | K221-R409 WeakPolarHBondContact O-CB 3.37Š|
| 222 | E | 92.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 24.1 Ų | 24.1 | 35% | 0.35 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -121.3 | 157.6 | 176.4 | -64.2 | 172 | -114.7 | 0 | 0 | 111.3 | K132 N220 | K132-E222 IonicContact NZ-OE1 2.79Å; K132-E222 PolarHBondContact NZ-OE1 2.89Å; K132-E222 IonicContact NZ-OE2 3.71Å; N220-E222 PolarHBondContact O-N 2.96Å; N220-E222 PolarHBondContact OD1-N 3.08Å |
| 223 | N | 94.7 | Very high | 96.6 | Very high | 94 Ų | 94 | 24.1 Ų | 24.1 | 50% | 0.503 | 11% | 0.11 | S | C | . | . | trans | -68.2 | 133.8 | 171.6 | -62.9 | -26.1 | 0 | 0 | 0 | 109.3 | V407 P408 R409 | N223-V407 WeakPolarHBondContact CA-O 3.2Å; N223-P408 WeakPolarHBondContact OD1-CA 3.34Å; N223-R409 PolarHBondContact OD1-N 3.13Å | ||
| 224 | L | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.7 | 176.8 | -58.1 | -177.7 | 0 | 0 | 0 | 109.6 | V130 K132 L187 N220 V226 V407 | V130-L224 HydrophobicContact CG1-CB 4.13Å; V130-L224 HydrophobicContact CG1-CD1 4.31Å; V130-L224 HydrophobicContact CG1-CD2 4.18Å; V130-L224 HydrophobicContact CG1-CG 4.44Å; K132-L224 HydrophobicContact CD-CD2 4.22Å; K132-L224 HydrophobicContact CG-CD2 3.62Å; L187-L224 HydrophobicContact CD1-CD1 4.31Å; L187-L224 HydrophobicContact CD2-CD1 4.48Å; N220-L224 HydrophobicContact CB-CD1 3.86Å; N220-L224 HydrophobicContact CB-CD2 4.49Å; N220-L224 HydrophobicContact CB-CG 4.16Å; L224-V226 HydrophobicContact CB-CG2 4.1Å; L224-V407 PolarHBondContact N-O 3.11Å; L224-V407 PolarHBondContact O-N 2.82Å |
| 225 | K | 97.1 | Very high | 96 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 24% | 0.239 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.5 | 165.1 | -178.6 | 176.2 | 179.4 | -177.4 | 0 | 107.4 | V130 R131 D372 T404 N406 | V130-K225 WeakPolarHBondContact CA-O 3.35Å; R131-K225 HydrophobicContact CB-CB 4.25Å; R131-K225 PolarHBondContact N-O 2.84Å; R131-K225 PolarHBondContact O-N 2.97Å; K225-D372 IonicContact NZ-OD2 2.93Å; K225-T404 HydrophobicContact CD-CG2 4.1Å; K225-T404 HydrophobicContact CG-CG2 3.64Å; K225-N406 WeakPolarHBondContact CB-OD1 3.35Å |
| 226 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | -175.5 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | V128 V130 L187 L189 V216 L224 I228 T404 T405 V407 | V128-V226 HydrophobicContact CG2-CG1 4.29Å; V130-V226 HydrophobicContact CG1-CG2 4.15Å; V130-V226 HydrophobicContact CG2-CG2 4.36Å; L187-V226 HydrophobicContact CD2-CG2 4.33Å; L189-V226 HydrophobicContact CD2-CG1 4.38Å; V216-V226 HydrophobicContact CG1-CB 4.13Å; V216-V226 HydrophobicContact CG1-CG1 4.05Å; V216-V226 HydrophobicContact CG1-CG2 3.91Å; V216-V226 HydrophobicContact CG2-CG1 4.33Å; L224-V226 HydrophobicContact CB-CG2 4.1Å; V226-I228 HydrophobicContact CG1-CD1 4.33Å; V226-T404 WeakPolarHBondContact O-CA 3.32Å; V226-T405 PolarHBondContact N-O 2.71Å; V226-T405 PolarHBondContact O-N 3.1Å; V226-V407 HydrophobicContact CG2-CG2 4.14Å |
| 227 | T | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.9 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 109 | V128 T129 A403 T404 | V128-T227 WeakPolarHBondContact CA-O 3.34Å; T129-T227 PolarHBondContact N-O 2.84Å; T129-T227 PolarHBondContact O-N 2.8Å; T227-A403 WeakPolarHBondContact CA-O 3.3Å; T227-T404 WeakPolarHBondContact CB-OG1 3.34Å; T227-T404 VanDerWaalsContact CG2-OG1 3.31Å; T227-T404 WeakPolarHBondContact CG2-OG1 3.17Å; T227-T404 VanDerWaalsContact OG1-CG2 3.26Å; T227-T404 WeakPolarHBondContact OG1-CG2 3.45Å; T227-T404 PolarHBondContact OG1-OG1 2.87Å |
| 228 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.5 | 166.5 | -57.2 | -59.7 | 0 | 0 | 0 | 107.7 | F126 I127 V128 L189 W214 V226 S402 A403 L423 F425 | F126-I228 HydrophobicContact CD1-CG2 4.03Å; I127-I228 CarbonylContact O-C 3.6Å; I127-I228 WeakPolarHBondContact O-CA 3.29Å; V128-I228 HydrophobicContact CB-CD1 3.96Å; V128-I228 HydrophobicContact CG2-CD1 3.9Å; L189-I228 HydrophobicContact CD1-CD1 4Å; W214-I228 HydrophobicContact CD2-CG1 4.41Å; W214-I228 HydrophobicContact CD2-CG2 4.19Å; W214-I228 HydrophobicContact CE3-CD1 4.35Å; W214-I228 HydrophobicContact CE3-CG1 4.34Å; W214-I228 HydrophobicContact CH2-CG2 4.41Å; W214-I228 HydrophobicContact CZ2-CG2 4.04Å; W214-I228 HydrophobicContact CZ3-CD1 4.39Å; V226-I228 HydrophobicContact CG1-CD1 4.33Å; I228-S402 CarbonylContact O-C 3.49Å; I228-S402 VanDerWaalsContact O-CA 3.29Å; I228-S402 WeakPolarHBondContact O-CA 3.48Å; I228-A403 PolarHBondContact N-O 3.42Å; I228-A403 PolarHBondContact O-N 2.79Å; I228-L423 HydrophobicContact CB-CD1 3.84Å; I228-L423 HydrophobicContact CG1-CD1 3.51Å; I228-F425 HydrophobicContact CB-CE2 4.11Å; I228-F425 HydrophobicContact CB-CZ 4.24Å; I228-F425 HydrophobicContact CG2-CE2 3.91Å; I228-F425 HydrophobicContact CG2-CZ 4.16Å; I228-F425 WeakPolarHBondContact O-CZ 3.44Å |
| 229 | T | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.4 | 176 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | F126 I127 F365 L369 A400 V401 S402 | F126-T229 CarbonylContact C-O 3.53Å; F126-T229 VanDerWaalsContact CA-O 3.31Å; F126-T229 WeakPolarHBondContact CA-O 3.41Å; I127-T229 PolarHBondContact N-O 2.83Å; I127-T229 PolarHBondContact O-N 2.76Å; T229-F365 HydrophobicContact CG2-CZ 4Å; T229-L369 HydrophobicContact CG2-CD1 4.03Å; T229-L369 HydrophobicContact CG2-CD2 4.29Å; T229-A400 HydrophobicContact CG2-CB 4.04Å; T229-V401 CarbonylContact C-O 3.6Å; T229-V401 WeakPolarHBondContact CA-O 2.95Å; T229-S402 WeakPolarHBondContact CB-OG 3.48Å; T229-S402 VanDerWaalsContact CG2-OG 3.3Å; T229-S402 WeakPolarHBondContact CG2-OG 3.17Å; T229-S402 WeakPolarHBondContact OG1-CB 3.38Å; T229-S402 PolarHBondContact OG1-OG 3.42Å |
| 230 | F | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.4 | 170.7 | -172.2 | -166.8 | 0 | 0 | 0 | 109.1 | F106 F126 F212 W232 I306 A400 V401 F425 I427 | F106-F230 HydrophobicContact CE1-CZ 4.42Å; F106-F230 AromaticContact CE2-CE2 3.93Å; F106-F230 HydrophobicContact CE2-CE2 3.93Å; F106-F230 HydrophobicContact CE2-CZ 4.47Å; F106-F230 AromaticContact CZ-CE2 3.72Å; F106-F230 HydrophobicContact CZ-CE2 3.72Å; F106-F230 AromaticContact CZ-CZ 3.83Å; F106-F230 HydrophobicContact CZ-CZ 3.83Å; F126-F230 HydrophobicContact CD1-CB 3.92Å; F126-F230 HydrophobicContact CD1-CD2 4.09Å; F126-F230 HydrophobicContact CD1-CG 4.11Å; F126-F230 HydrophobicContact CE1-CB 3.61Å; F126-F230 AromaticContact CE1-CD1 3.98Å; F126-F230 HydrophobicContact CE1-CD1 3.98Å; F126-F230 AromaticContact CE1-CD2 3.71Å; F126-F230 HydrophobicContact CE1-CD2 3.71Å; F126-F230 HydrophobicContact CE1-CE2 4.37Å; F126-F230 AromaticContact CE1-CG 3.5Å; F126-F230 HydrophobicContact CE1-CG 3.5Å; F126-F230 VanDerWaalsContact CE1-CG 3.5Å; F126-F230 HydrophobicContact CE2-CD2 4.33Å; F126-F230 HydrophobicContact CE2-CE2 4.32Å; F126-F230 HydrophobicContact CZ-CB 4.49Å; F126-F230 HydrophobicContact CZ-CD1 4.12Å; F126-F230 AromaticContact CZ-CD2 3.83Å; F126-F230 HydrophobicContact CZ-CD2 3.83Å; F126-F230 HydrophobicContact CZ-CE1 4.27Å; F126-F230 HydrophobicContact CZ-CE2 4.02Å; F126-F230 AromaticContact CZ-CG 3.9Å; F126-F230 HydrophobicContact CZ-CG 3.9Å; F126-F230 HydrophobicContact CZ-CZ 4.23Å; F212-F230 AromaticContact CD2-CE1 3.98Å; F212-F230 HydrophobicContact CD2-CE1 3.98Å; F212-F230 HydrophobicContact CD2-CZ 4.41Å; F212-F230 AromaticContact CE2-CE1 3.82Å; F212-F230 HydrophobicContact CE2-CE1 3.82Å; F212-F230 AromaticContact CE2-CZ 3.9Å; F212-F230 HydrophobicContact CE2-CZ 3.9Å; F230-W232 AromaticContact CE2-CE3 3.83Å; F230-W232 HydrophobicContact CE2-CE3 3.83Å; F230-W232 HydrophobicContact CE2-CZ3 4.4Å; F230-W232 AromaticContact CZ-CE3 3.82Å; F230-W232 HydrophobicContact CZ-CE3 3.82Å; F230-W232 HydrophobicContact CZ-CZ3 4.24Å; F230-I306 HydrophobicContact CD1-CB 4.05Å; F230-I306 HydrophobicContact CD1-CD1 4.45Å; F230-I306 HydrophobicContact CD1-CG2 3.79Å; F230-I306 HydrophobicContact CE1-CB 4.19Å; F230-I306 HydrophobicContact CE1-CG2 3.46Å; F230-I306 VanDerWaalsContact CE1-CG2 3.46Å; F230-I306 HydrophobicContact CG-CD1 4.43Å; F230-I306 HydrophobicContact CZ-CG2 3.99Å; F230-I306 WeakPolarHBondContact O-CD1 3.34Å; F230-A400 CarbonylContact O-C 3.54Å; F230-A400 WeakPolarHBondContact O-CA 3.35Å; F230-V401 PolarHBondContact N-O 2.97Å; F230-V401 PolarHBondContact O-N 2.86Å; F230-F425 HydrophobicContact CB-CD1 3.85Å; F230-F425 HydrophobicContact CB-CE1 3.98Å; F230-F425 HydrophobicContact CD1-CB 4.35Å; F230-F425 HydrophobicContact CD1-CD1 4.31Å; F230-I427 HydrophobicContact CE1-CB 4.1Å; F230-I427 HydrophobicContact CE1-CD1 4.29Å; F230-I427 HydrophobicContact CZ-CB 4.47Å; F230-I427 HydrophobicContact CZ-CD1 3.89Å |
| 231 | S | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | V123 D124 Q125 I399 | V123-S231 WeakPolarHBondContact O-CB 3.4Å; V123-S231 PolarHBondContact O-OG 3.4Å; D124-S231 WeakPolarHBondContact CA-O 3.34Å; Q125-S231 PolarHBondContact N-O 3.2Å; Q125-S231 PolarHBondContact N-OG 2.73Å; Q125-S231 PolarHBondContact O-N 2.9Å; Q125-S231 PolarHBondContact O-OG 2.83Å; S231-I399 CarbonylContact C-O 3.56Å; S231-I399 WeakPolarHBondContact CA-O 3.22Å |
| 232 | W | 97.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 140.2 | -170.1 | -170.3 | -99.3 | 0 | 0 | 0 | 114.4 | I98 F106 D124 F230 F304 I306 A398 I399 I427 | I98-W232 HydrophobicContact CD1-CH2 3.85Å; I98-W232 HydrophobicContact CD1-CZ2 3.83Å; F106-W232 HydrophobicContact CB-CH2 4.43Å; F106-W232 HydrophobicContact CB-CZ3 4.21Å; F106-W232 AromaticContact CD1-CH2 3.92Å; F106-W232 HydrophobicContact CD1-CH2 3.92Å; F106-W232 AromaticContact CD1-CZ3 3.52Å; F106-W232 HydrophobicContact CD1-CZ3 3.52Å; F106-W232 AromaticContact CD2-CZ3 3.99Å; F106-W232 HydrophobicContact CD2-CZ3 3.99Å; F106-W232 HydrophobicContact CE1-CH2 4.38Å; F106-W232 AromaticContact CE1-CZ3 3.74Å; F106-W232 HydrophobicContact CE1-CZ3 3.74Å; F106-W232 HydrophobicContact CE2-CZ3 4.2Å; F106-W232 HydrophobicContact CG-CH2 4.21Å; F106-W232 AromaticContact CG-CZ3 3.64Å; F106-W232 HydrophobicContact CG-CZ3 3.64Å; F106-W232 HydrophobicContact CZ-CZ3 4.07Å; D124-W232 HydrophobicContact CB-CE3 3.91Å; D124-W232 HydrophobicContact CB-CZ3 4.02Å; F230-W232 AromaticContact CE2-CE3 3.83Å; F230-W232 HydrophobicContact CE2-CE3 3.83Å; F230-W232 HydrophobicContact CE2-CZ3 4.4Å; F230-W232 AromaticContact CZ-CE3 3.82Å; F230-W232 HydrophobicContact CZ-CE3 3.82Å; F230-W232 HydrophobicContact CZ-CZ3 4.24Å; W232-F304 AromaticContact CE2-CD1 3.99Å; W232-F304 HydrophobicContact CZ2-CD1 4.07Å; W232-F304 HydrophobicContact CZ2-CE1 4.23Å; W232-F304 AromaticContact NE1-CD1 3.31Å; W232-F304 VanDerWaalsContact NE1-CD1 3.31Å; W232-F304 AromaticContact NE1-CG 3.46Å; W232-I306 HydrophobicContact CB-CD1 3.99Å; W232-I306 HydrophobicContact CB-CG1 4.45Å; W232-I306 HydrophobicContact CB-CG2 3.96Å; W232-I306 HydrophobicContact CG-CG2 4.09Å; W232-A398 CarbonylContact O-C 3.57Å; W232-A398 VanDerWaalsContact O-CA 3.26Å; W232-A398 WeakPolarHBondContact O-CA 3.37Å; W232-A398 WeakPolarHBondContact O-CB 3.46Å; W232-I399 HydrophobicContact CB-CG1 4.04Å; W232-I399 PolarHBondContact N-O 3.31Å; W232-I399 WeakPolarHBondContact O-CG1 3.42Å; W232-I399 PolarHBondContact O-N 3.11Å; W232-I427 HydrophobicContact CD2-CD1 3.58Å; W232-I427 HydrophobicContact CE3-CD1 3.54Å; W232-I427 HydrophobicContact CG-CD1 4.42Å; W232-I427 HydrophobicContact CH2-CD1 3.38Å; W232-I427 HydrophobicContact CZ2-CD1 3.43Å; W232-I427 VanDerWaalsContact CZ2-CD1 3.43Å; W232-I427 HydrophobicContact CZ3-CD1 3.44Å; W232-I427 VanDerWaalsContact CZ3-CD1 3.44Å |
| 233 | H | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -131.5 | -33.3 | 163.9 | 176 | 74 | 0 | 0 | 0 | 111.1 | V123 D124 N236 R294 F324 L397 A398 | V123-H233 HydrophobicContact CG1-CB 3.41Å; V123-H233 VanDerWaalsContact CG1-CB 3.41Å; D124-H233 PolarHBondContact OD1-N 3.49Å; H233-N236 PolarHBondContact CD2-ND2 2.87Å; H233-N236 VanDerWaalsContact CD2-ND2 3.27Å; H233-N236 PolarHBondContact NE2-ND2 2.86Å; H233-R294 PolarHBondContact O-NE 2.89Å; H233-R294 PolarHBondContact O-NH2 2.88Å; H233-R294 VanDerWaalsContact O-NH2 3.1Å; H233-F324 HydrophobicContact CB-CE1 4.05Å; H233-F324 HydrophobicContact CB-CZ 3.9Å; H233-F324 AromaticContact CD2-CZ 3.86Å; H233-F324 AromaticContact CG-CE1 3.93Å; H233-F324 AromaticContact CG-CZ 3.61Å; H233-F324 AromaticContact ND1-CE1 3.86Å; H233-F324 AromaticContact ND1-CZ 3.86Å; H233-L397 PolarHBondContact ND1-O 3.25Å; H233-A398 HydrophobicContact CB-CB 4.28Å | ||
| 234 | G | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | 81 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q121 D124 R294 | Q121-G234 VanDerWaalsContact CG-O 3.29Å; Q121-G234 WeakPolarHBondContact CG-O 3.43Å; D124-G234 PolarHBondContact OD1-N 3.03Å; D124-G234 VanDerWaalsContact OD1-N 3.11Å; D124-G234 WeakPolarHBondContact OD2-CA 3.46Å; D124-G234 PolarHBondContact OD2-N 2.87Å; D124-G234 VanDerWaalsContact OD2-N 3.08Å; G234-R294 PolarHBondContact O-NH2 2.88Å | ||
| 235 | P | 91.5 | Very high | 83.3 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | trans | -63.5 | 138.3 | -166.7 | 24.6 | -35.8 | 0 | 0 | 0 | 114.4 | S109 L111 R294 F304 | S109-P235 WeakPolarHBondContact OG-CB 3.35Å; S109-P235 WeakPolarHBondContact OG-CG 3.31Å; L111-P235 HydrophobicContact CD1-CG 3.58Å; L111-P235 HydrophobicContact CG-CG 4.41Å; P235-R294 PolarHBondContact O-NH1 2.8Å; P235-R294 VanDerWaalsContact O-NH1 3.08Å; P235-R294 PolarHBondContact O-NH2 3.49Å; P235-F304 HydrophobicContact CG-CE1 4.47Å; P235-F304 HydrophobicContact CG-CZ 4.24Å | ||
| 236 | N | 82.2 | Confident | 80.3 | Confident | 38 Ų | 38 | 54 Ų | 54 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | trans | -103.2 | 100.3 | 172.1 | -79.5 | -58.3 | 0 | 0 | 0 | 109.6 | S117 Q121 H233 K396 | S117-N236 PolarHBondContact OG-O 2.98Å; Q121-N236 PolarHBondContact OE1-ND2 3.12Å; H233-N236 PolarHBondContact CD2-ND2 2.87Å; H233-N236 VanDerWaalsContact CD2-ND2 3.27Å; H233-N236 PolarHBondContact NE2-ND2 2.86Å; N236-K396 PolarHBondContact ND2-NZ 3.03Å | ||
| 237 | H | 84 | Confident | 77.2 | Confident | 16 Ų | 16 | 59 Ų | 59 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 140.7 | 170 | -75.8 | -106.1 | 0 | 0 | 0 | 109.8 | S109 I112 M115 S117 I296 | S109-H237 PolarHBondContact O-CE1 3.48Å; S109-H237 PolarHBondContact OG-NE2 2.99Å; I112-H237 HydrophobicContact CD1-CB 3.91Å; M115-H237 PolarHBondContact O-CE1 2.92Å; S117-H237 PolarHBondContact N-CE1 3.32Å; H237-I296 HydrophobicContact CB-CG2 3.9Å; H237-I296 VanDerWaalsContact CD2-CG2 3.44Å; H237-I296 WeakPolarHBondContact CD2-CG2 3.08Å |
| 238 | R | 79.4 | Confident | 73.8 | Confident | 201 Ų | 201 | 67.3 Ų | 67.3 | 76% | 0.758 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 136.9 | 174.2 | -67.2 | -176.1 | -176 | -176.5 | 1.9 | 109.1 | R240 | R238-R240 PolarHBondContact O-N 2.89Š|
| 239 | K | 78.4 | Confident | 70.5 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 127 | 172.8 | -60.6 | -179.8 | -179.6 | -150 | 0 | 108.7 | D298 | K239-D298 WeakPolarHBondContact CD-OD2 3.42Å; K239-D298 WeakPolarHBondContact CE-OD1 3.3Å; K239-D298 WeakPolarHBondContact CE-OD2 3.19Å; K239-D298 HydrophobicContact CG-CB 4.48Å; K239-D298 VanDerWaalsContact NZ-CG 3.32Å; K239-D298 IonicContact NZ-OD1 3.33Å; K239-D298 PolarHBondContact NZ-OD1 3.39Å; K239-D298 IonicContact NZ-OD2 3.44Å; K239-D298 PolarHBondContact NZ-OD2 2.99Å |
| 240 | R | 81 | Confident | 67.1 | Low | 43 Ų | 43 | 81.6 Ų | 81.6 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 144.9 | 172 | -61.9 | -170.2 | -76.4 | 177.3 | 0.8 | 108.6 | M115 R238 E299 R437 E657 | M115-R240 HydrophobicContact CE-CG 4.45Å; R238-R240 PolarHBondContact O-N 2.89Å; R240-E299 IonicContact CZ-OE1 3.37Å; R240-E299 VanDerWaalsContact CZ-OE1 3.32Å; R240-E299 IonicContact CZ-OE2 3.05Å; R240-E299 IonicContact NE-OE1 2.94Å; R240-E299 PolarHBondContact NE-OE1 2.95Å; R240-E299 IonicContact NE-OE2 3.06Å; R240-E299 PolarHBondContact NE-OE2 3.01Å; R240-E299 IonicContact NH2-OE1 3Å; R240-E299 PolarHBondContact NH2-OE1 2.83Å; R240-E299 IonicContact NH2-OE2 2.85Å; R240-E299 PolarHBondContact NH2-OE2 3.24Å; R240-R437 VanDerWaalsContact CD-NH1 3.33Å; R240-E657 IonicContact NH1-OE1 3.91Å; R240-E657 PolarHBondContact NH1-OE1 2.81Å |
| 241 | T | 70.8 | Confident | 63.8 | Low | 92 Ų | 92 | 89 Ų | 89 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 144.4 | 171.5 | 23.8 | 0 | 0 | 0 | 0 | 110 | S243 R437 | T241-S243 PolarHBondContact O-N 2.73Å; T241-R437 PolarHBondContact O-NH2 3.34Å |
| 242 | K | 65.2 | Low | 60.3 | Low | 194 Ų | 194 | 92.2 Ų | 92.2 | 84% | 0.843 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 133.9 | 176 | -71.4 | -168.4 | 175.2 | -168 | 0 | 109.6 | ||
| 243 | S | 55.6 | Low | 56.8 | Low | 31 Ų | 31 | 99.4 Ų | 99.4 | 22% | 0.217 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 136.2 | 167.6 | 164.8 | 0 | 0 | 0 | 0 | 109.1 | T241 D245 | T241-S243 PolarHBondContact O-N 2.73Å; S243-D245 PolarHBondContact O-N 2.99Å; S243-D245 PolarHBondContact OG-OD1 3.23Å |
| 244 | S | 46.6 | Very low | 53.7 | Low | 48 Ų | 48 | 106.7 Ų | 106.7 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | trans | -78 | 103.5 | 159.9 | 58.5 | 0 | 0 | 0 | 0 | 106.8 | F246 | S244-F246 VanDerWaalsContact C-N 3.32Å; S244-F246 PolarHBondContact O-N 2.97Å | ||
| 245 | D | 43.5 | Very low | 50.5 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 68% | 0.684 | 59% | 0.587 | S | S | * | * | trans | -69 | 94.4 | 173.5 | -65.8 | -18.5 | 0 | 0 | 0 | 108.4 | S243 S247 | S243-D245 PolarHBondContact O-N 2.99Å; S243-D245 PolarHBondContact OG-OD1 3.23Å; D245-S247 PolarHBondContact O-N 2.86Å | ||
| 246 | F | 35.2 | Very low | 47.2 | Very low | 186 Ų | 186 | 116.9 Ų | 116.9 | 82% | 0.816 | 63% | 0.626 | S | S | * | * | trans | -78.9 | 63.9 | 166.3 | -100.1 | -89.9 | 0 | 0 | 0 | 108.5 | S244 K248 | S244-F246 VanDerWaalsContact C-N 3.32Å; S244-F246 PolarHBondContact O-N 2.97Å; F246-K248 VanDerWaalsContact C-N 3.26Å; F246-K248 PolarHBondContact O-N 3.12Å | ||
| 247 | S | 32.5 | Very low | 44.7 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -91.7 | 63.5 | 162.1 | 52.1 | 0 | 0 | 0 | 0 | 109 | D245 | D245-S247 PolarHBondContact O-N 2.86Š| ||
| 248 | K | 27.1 | Very low | 41.8 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 79% | 0.787 | 69% | 0.694 | S | S | * | * | trans | -131.7 | 94.8 | 162.6 | -78.6 | -169.2 | 177.2 | -179.3 | 0 | 108.3 | F246 | F246-K248 VanDerWaalsContact C-N 3.26Å; F246-K248 PolarHBondContact O-N 3.12Å | ||
| 249 | S | 27.8 | Very low | 39.3 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | trans | -15.3 | 123 | 160.4 | 52.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 250 | E | 26.4 | Very low | 36.8 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | trans | -91.4 | 2.2 | 161.9 | -105.5 | -179.7 | 176.3 | 0 | 0 | 113 | G252 | E250-G252 PolarHBondContact O-N 2.77Å; E250-G252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | D | 28.9 | Very low | 34.1 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -85.2 | 96.4 | 177 | -66.9 | -29.7 | 0 | 0 | 0 | 111 | ||||
| 252 | G | 24.1 | Very low | 32 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -62.9 | 147.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E250 | E250-G252 PolarHBondContact O-N 2.77Å; E250-G252 VanDerWaalsContact O-N 3.16Å | ||
| 253 | N | 25.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | 61.6 | 99.5 | 173.4 | -80.8 | -8.5 | 0 | 0 | 0 | 116.5 | ||||
| 254 | N | 28.4 | Very low | 29.1 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | -175.2 | 136.3 | 112.7 | -91.9 | -27.3 | 0 | 0 | 0 | 111.8 | |||||
| 255 | S | 25.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | 32.6 | 119.7 | 152 | 56 | 0 | 0 | 0 | 0 | 119.9 | E257 | S255-E257 PolarHBondContact O-N 2.8Š| ||
| 256 | S | 24.1 | Very low | 28 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -37.7 | 99.4 | 157.3 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 257 | E | 28.1 | Very low | 28.3 | Very low | 167 Ų | 167 | 121.2 Ų | 121.2 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | trans | -127.8 | 117.6 | 152.3 | -81.4 | -171.6 | 165 | 0 | 0 | 108.6 | S255 T259 | S255-E257 PolarHBondContact O-N 2.8Å; E257-T259 PolarHBondContact O-N 2.95Å | ||
| 258 | N | 24.6 | Very low | 28.7 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -63.8 | 77.9 | 175.9 | -79.8 | -27.8 | 0 | 0 | 0 | 110.2 | T260 | N258-T260 PolarHBondContact O-N 2.97Š| ||
| 259 | T | 25.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -86.3 | 101.4 | 161.1 | 30.8 | 0 | 0 | 0 | 0 | 107.6 | E257 N261 | E257-T259 PolarHBondContact O-N 2.95Å; T259-N261 PolarHBondContact O-N 3.36Å; T259-N261 VanDerWaalsContact O-N 3.17Å | ||
| 260 | T | 26.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | trans | -49.6 | 117.4 | 171.8 | 39.9 | 0 | 0 | 0 | 0 | 110.2 | N258 T262 | N258-T260 PolarHBondContact O-N 2.97Å; T260-T262 PolarHBondContact O-N 3.42Å; T260-T262 PolarHBondContact O-OG1 3.21Å | ||
| 261 | N | 25 | Very low | 32 | Very low | 157 Ų | 157 | 110.3 Ų | 110.3 | 84% | 0.84 | 64% | 0.639 | S | S | * | * | trans | -65.5 | 62.4 | 178.2 | -77.6 | -38.4 | 0 | 0 | 0 | 113.2 | T259 | T259-N261 PolarHBondContact O-N 3.36Å; T259-N261 VanDerWaalsContact O-N 3.17Å | ||
| 262 | T | 26.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 107 Ų | 107 | 56% | 0.564 | 63% | 0.625 | S | S | * | * | trans | -86.5 | -5.7 | 177.7 | 40 | 0 | 0 | 0 | 0 | 114 | T260 V264 | T260-T262 PolarHBondContact O-N 3.42Å; T260-T262 PolarHBondContact O-OG1 3.21Å; T262-V264 VanDerWaalsContact C-N 3.26Å; T262-V264 PolarHBondContact O-N 3.08Å | ||
| 263 | H | 30.4 | Very low | 35.1 | Very low | 127 Ų | 127 | 107.1 Ų | 107.1 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -20.2 | -178.2 | -88.5 | -69.8 | 0 | 0 | 0 | 114.8 | D519 | H263-D519 IonicContact CE1-OD2 3.61Š|
| 264 | V | 29.2 | Very low | 37.1 | Very low | 98 Ų | 98 | 101 Ų | 101 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -25.7 | -174 | -174.1 | 0 | 0 | 0 | 0 | 113 | T262 T266 | T262-V264 VanDerWaalsContact C-N 3.26Å; T262-V264 PolarHBondContact O-N 3.08Å; V264-T266 PolarHBondContact O-N 3.31Å |
| 265 | S | 28.9 | Very low | 39.3 | Very low | 69 Ų | 69 | 94.8 Ų | 94.8 | 48% | 0.483 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -78.9 | -20.9 | -167.4 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | N269 | S265-N269 PolarHBondContact O-ND2 3.21Å |
| 266 | T | 38.4 | Very low | 42.3 | Very low | 74 Ų | 74 | 91.5 Ų | 91.5 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -86.2 | -32.8 | 178.1 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | V264 N269 A270 V518 | V264-T266 PolarHBondContact O-N 3.31Å; T266-N269 PolarHBondContact O-N 2.98Å; T266-A270 PolarHBondContact O-N 3.46Å; T266-A270 VanDerWaalsContact O-N 3.17Å; T266-V518 HydrophobicContact CG2-CG1 4.24Å |
| 267 | A | 40.4 | Very low | 45.5 | Very low | 23 Ų | 23 | 88 Ų | 88 | 19% | 0.19 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68.4 | -43.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N269 A270 | A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.42Å; A267-A270 PolarHBondContact O-N 3.08Å |
| 268 | E | 41.5 | Very low | 48.6 | Very low | 154 Ų | 154 | 80.1 Ų | 80.1 | 72% | 0.72 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.6 | -32.6 | 176.8 | -72.9 | -168.5 | 150.1 | 0 | 0 | 112.1 | A270 | E268-A270 VanDerWaalsContact C-N 3.32Å; E268-A270 PolarHBondContact O-N 2.73Å |
| 269 | N | 45 | Very low | 51.9 | Low | 130 Ų | 130 | 71.9 Ų | 71.9 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -76.6 | -14.1 | 176.9 | -77.6 | -32.1 | 0 | 0 | 0 | 113.9 | S265 T266 A267 F271 P272 | S265-N269 PolarHBondContact O-ND2 3.21Å; T266-N269 PolarHBondContact O-N 2.98Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.42Å; N269-F271 VanDerWaalsContact C-N 3.31Å; N269-F271 PolarHBondContact O-N 2.96Å; N269-P272 WeakPolarHBondContact O-CD 3.45Å |
| 270 | A | 49.8 | Very low | 55.1 | Low | 35 Ų | 35 | 66.5 Ų | 66.5 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T266 A267 E268 V442 | T266-A270 PolarHBondContact O-N 3.46Å; T266-A270 VanDerWaalsContact O-N 3.17Å; A267-A270 PolarHBondContact O-N 3.08Å; E268-A270 VanDerWaalsContact C-N 3.32Å; E268-A270 PolarHBondContact O-N 2.73Å; A270-V442 HydrophobicContact CB-CG2 4.49Å |
| 271 | F | 55.7 | Low | 58.3 | Low | 38 Ų | 38 | 61.3 Ų | 61.3 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -131.9 | 59.1 | -174 | -58.1 | -82.1 | 0 | 0 | 0 | 113.3 | N269 T273 P301 I433 K435 V442 | N269-F271 VanDerWaalsContact C-N 3.31Å; N269-F271 PolarHBondContact O-N 2.96Å; F271-T273 PolarHBondContact O-N 3.42Å; F271-P301 HydrophobicContact CB-CG 4.42Å; F271-P301 HydrophobicContact CD1-CG 4.14Å; F271-I433 HydrophobicContact CE1-CB 4.15Å; F271-I433 HydrophobicContact CE1-CG2 3.69Å; F271-I433 HydrophobicContact CZ-CG2 3.59Å; F271-K435 HydrophobicContact CE2-CB 3.55Å; F271-K435 HydrophobicContact CE2-CD 3.96Å; F271-K435 HydrophobicContact CE2-CG 4.35Å; F271-K435 HydrophobicContact CZ-CB 3.55Å; F271-V442 HydrophobicContact CE2-CG1 4.39Å; F271-V442 HydrophobicContact CZ-CG1 4.22Å |
| 272 | P | 56.9 | Low | 61.4 | Low | 84 Ų | 84 | 56.1 Ų | 56.1 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 126.8 | 175 | 25.2 | -32.1 | 0 | 0 | 0 | 109.3 | N269 C274 | N269-P272 WeakPolarHBondContact O-CD 3.45Å; P272-C274 PolarHBondContact O-N 3.29Å; P272-C274 VanDerWaalsContact O-N 3.1Å |
| 273 | T | 62.4 | Low | 64.4 | Low | 71 Ų | 71 | 53.6 Ų | 53.6 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 118 | 172.7 | -40.5 | 0 | 0 | 0 | 0 | 107.9 | F271 T295 L387 | F271-T273 PolarHBondContact O-N 3.42Å; T273-T295 HydrophobicContact CG2-CG2 4.32Å; T273-L387 HydrophobicContact CG2-CD2 4.31Å; T273-L387 WeakPolarHBondContact O-CD1 3.45Å |
| 274 | C | 65.4 | Low | 66.7 | Low | 23 Ų | 23 | 51.7 Ų | 51.7 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 142.9 | -177.7 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | P272 T295 | P272-C274 PolarHBondContact O-N 3.29Å; P272-C274 VanDerWaalsContact O-N 3.1Å; C274-T295 PolarHBondContact N-OG1 3.09Å |
| 275 | S | 75.2 | Confident | 69.2 | Low | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 153.9 | 164.4 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | R277 V385 | S275-R277 PolarHBondContact O-N 3.37Å; S275-V385 WeakPolarHBondContact CB-O 3.36Å |
| 276 | Q | 88.3 | Confident | 72.2 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.8 | 170.6 | -54.7 | -179.5 | 12.7 | 0 | 0 | 107.8 | E293 R294 T384 V385 | Q276-E293 VanDerWaalsContact CA-O 3.3Å; Q276-E293 WeakPolarHBondContact CA-O 3.34Å; Q276-R294 HydrophobicContact CG-CB 4.01Å; Q276-T384 CarbonylContact O-C 3.17Å; Q276-T384 WeakPolarHBondContact O-CA 3.02Å; Q276-V385 HydrophobicContact CB-CB 3.98Å; Q276-V385 HydrophobicContact CB-CG2 4.08Å; Q276-V385 HydrophobicContact CG-CB 4.48Å; Q276-V385 PolarHBondContact O-N 3.39Å |
| 277 | R | 92.7 | Very high | 75 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.1 | 176.8 | -64 | -172.9 | -60.3 | -170.5 | 4.8 | 109.6 | S275 L292 E293 E341 Y353 Y383 | S275-R277 PolarHBondContact O-N 3.37Å; R277-L292 CarbonylContact O-C 3.51Å; R277-L292 WeakPolarHBondContact O-CA 3.39Å; R277-E293 IonicContact CZ-OE2 3.67Å; R277-E293 PolarHBondContact N-O 2.92Å; R277-E293 IonicContact NE-OE2 3.9Å; R277-E293 PolarHBondContact NE-OE2 3.27Å; R277-E293 IonicContact NH2-OE2 2.73Å; R277-E293 PolarHBondContact NH2-OE2 3.05Å; R277-E293 PolarHBondContact O-N 2.88Å; R277-E341 IonicContact NH1-OE2 2.75Å; R277-Y353 HydrophobicContact CB-CD1 4.39Å; R277-Y353 HydrophobicContact CB-CE1 3.92Å; R277-Y353 HydrophobicContact CG-CE1 4.49Å; R277-Y383 CarbonylContact C-O 3.42Å; R277-Y383 WeakPolarHBondContact CA-O 3.27Å |
| 278 | S | 93.5 | Very high | 77.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.2 | 175.4 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | L291 P320 Y353 G382 Y383 L397 | S278-L291 WeakPolarHBondContact CA-O 3.06Å; S278-L291 WeakPolarHBondContact CB-O 3.42Å; S278-P320 WeakPolarHBondContact CB-O 3.48Å; S278-P320 PolarHBondContact OG-O 3.15Å; S278-Y353 WeakPolarHBondContact O-CE1 3.21Å; S278-G382 CarbonylContact O-C 3.55Å; S278-G382 WeakPolarHBondContact O-CA 3.38Å; S278-Y383 PolarHBondContact N-O 3.04Å; S278-Y383 PolarHBondContact O-N 3.31Å; S278-L397 WeakPolarHBondContact OG-CD2 3.4Å |
| 279 | T | 93.3 | Very high | 80.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.1 | -178.7 | -169 | 0 | 0 | 0 | 0 | 111.1 | C290 L291 I351 | T279-C290 CarbonylContact O-C 3.59Å; T279-C290 VanDerWaalsContact O-CA 3.28Å; T279-C290 WeakPolarHBondContact O-CA 3.31Å; T279-L291 HydrophobicContact CG2-CB 4.22Å; T279-L291 HydrophobicContact CG2-CD1 4.35Å; T279-L291 PolarHBondContact N-O 3.08Å; T279-L291 VanDerWaalsContact N-O 3.1Å; T279-L291 PolarHBondContact O-N 3.28Å; T279-I351 HydrophobicContact CG2-CD1 3.97Å |
| 280 | A | 93.1 | Very high | 82.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 156.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G289 P320 | A280-G289 CarbonylContact C-O 3.58Å; A280-G289 WeakPolarHBondContact CA-O 3.44Å; A280-P320 HydrophobicContact CB-CB 4.17Å |
| 281 | F | 92.7 | Very high | 84.9 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.8 | 170 | 79 | -81.6 | 0 | 0 | 0 | 111.7 | T283 G289 L291 A307 R318 K460 L463 | F281-T283 HydrophobicContact CD2-CG2 3.95Å; F281-T283 HydrophobicContact CE2-CG2 3.79Å; F281-G289 VanDerWaalsContact CD1-C 3.44Å; F281-G289 WeakPolarHBondContact CD1-O 3.41Å; F281-G289 VanDerWaalsContact CE1-C 3.45Å; F281-G289 PolarHBondContact N-O 2.73Å; F281-G289 PolarHBondContact O-N 2.93Å; F281-L291 HydrophobicContact CD1-CD1 4.17Å; F281-L291 HydrophobicContact CD1-CD2 3.97Å; F281-L291 HydrophobicContact CD1-CG 3.71Å; F281-L291 HydrophobicContact CE1-CD2 3.76Å; F281-L291 HydrophobicContact CE1-CG 4.03Å; F281-A307 HydrophobicContact CZ-CB 3.97Å; F281-R318 PolarHBondContact O-NH1 3.11Å; F281-K460 HydrophobicContact CB-CD 4.06Å; F281-K460 VanDerWaalsContact CB-CE 3.5Å; F281-K460 HydrophobicContact CB-CG 4.28Å; F281-K460 HydrophobicContact CD1-CG 4.43Å; F281-K460 HydrophobicContact CD2-CB 4.2Å; F281-K460 HydrophobicContact CD2-CD 4.03Å; F281-K460 HydrophobicContact CD2-CG 3.66Å; F281-K460 HydrophobicContact CE2-CB 4.21Å; F281-K460 HydrophobicContact CE2-CG 4.05Å; F281-K460 HydrophobicContact CG-CD 4.16Å; F281-K460 HydrophobicContact CG-CG 3.86Å; F281-L463 HydrophobicContact CE1-CD1 3.83Å; F281-L463 HydrophobicContact CZ-CB 4.24Å; F281-L463 HydrophobicContact CZ-CD1 3.53Å |
| 282 | S | 91.3 | Very high | 86.8 | Confident | 49 Ų | 49 | 29.6 Ų | 29.6 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.7 | 170 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | V287 R318 H379 | S282-V287 CarbonylContact C-O 3.56Å; S282-V287 WeakPolarHBondContact CA-O 3.21Å; S282-R318 PolarHBondContact OG-NH1 3.32Å; S282-H379 PolarHBondContact OG-CE1 3.1Å; S282-H379 PolarHBondContact OG-ND1 2.95Å |
| 283 | T | 88 | Confident | 88.6 | Confident | 38 Ų | 38 | 25.8 Ų | 25.8 | 23% | 0.233 | 17% | 0.173 | C | C | . | . | trans | -117.5 | 163.7 | 169.5 | 75.8 | 0 | 0 | 0 | 0 | 109.9 | F281 G285 N286 V287 A464 | F281-T283 HydrophobicContact CD2-CG2 3.95Å; F281-T283 HydrophobicContact CE2-CG2 3.79Å; T283-G285 PolarHBondContact O-N 3.28Å; T283-G285 VanDerWaalsContact O-N 3.08Å; T283-G285 PolarHBondContact OG1-N 2.82Å; T283-N286 PolarHBondContact O-N 2.79Å; T283-V287 PolarHBondContact N-O 3.21Å; T283-V287 WeakPolarHBondContact OG1-CB 3.45Å; T283-A464 HydrophobicContact CG2-CB 4.25Å | ||
| 284 | G | 78.6 | Confident | 90 | Very high | 87 Ų | 87 | 22.7 Ų | 22.7 | 90% | 0.897 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N286 | G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.17Å |
| 285 | G | 81.7 | Confident | 91.1 | Very high | 31 Ų | 31 | 22.4 Ų | 22.4 | 32% | 0.32 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 22.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T283 V287 | T283-G285 PolarHBondContact O-N 3.28Å; T283-G285 VanDerWaalsContact O-N 3.08Å; T283-G285 PolarHBondContact OG1-N 2.82Å; G285-V287 PolarHBondContact O-N 3.18Å |
| 286 | N | 93 | Very high | 91.9 | Very high | 99 Ų | 99 | 21.3 Ų | 21.3 | 53% | 0.529 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 57.1 | 28.2 | -173.5 | -61.7 | -33.5 | 0 | 0 | 0 | 113.9 | T283 G284 S310 | T283-N286 PolarHBondContact O-N 2.79Å; G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.17Å; N286-S310 VanDerWaalsContact CB-O 3.31Å; N286-S310 WeakPolarHBondContact CB-O 3.35Å; N286-S310 PolarHBondContact O-N 3.21Å |
| 287 | V | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.8 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | S282 T283 G285 A307 I467 | S282-V287 CarbonylContact C-O 3.56Å; S282-V287 WeakPolarHBondContact CA-O 3.21Å; T283-V287 PolarHBondContact N-O 3.21Å; T283-V287 WeakPolarHBondContact OG1-CB 3.45Å; G285-V287 PolarHBondContact O-N 3.18Å; V287-A307 HydrophobicContact CG1-CB 3.59Å; V287-I467 HydrophobicContact CG1-CG1 4.26Å; V287-I467 HydrophobicContact CG2-CB 4.01Å; V287-I467 HydrophobicContact CG2-CG1 4.31Å; V287-I467 HydrophobicContact CG2-CG2 3.81Å |
| 288 | L | 95.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.2 | 179.4 | -73 | 77.3 | 0 | 0 | 0 | 108.8 | A307 A308 V316 | L288-A307 CarbonylContact O-C 3.52Å; L288-A307 WeakPolarHBondContact O-CA 3.06Å; L288-A308 PolarHBondContact N-O 3.15Å; L288-A308 PolarHBondContact O-N 3.32Å; L288-V316 HydrophobicContact CB-CB 4.23Å; L288-V316 HydrophobicContact CB-CG1 3.72Å; L288-V316 HydrophobicContact CD2-CB 4.47Å |
| 289 | G | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | -174.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | A280 F281 I306 R318 | A280-G289 CarbonylContact C-O 3.58Å; A280-G289 WeakPolarHBondContact CA-O 3.44Å; F281-G289 VanDerWaalsContact CD1-C 3.44Å; F281-G289 WeakPolarHBondContact CD1-O 3.41Å; F281-G289 VanDerWaalsContact CE1-C 3.45Å; F281-G289 PolarHBondContact N-O 2.73Å; F281-G289 PolarHBondContact O-N 2.93Å; G289-I306 CarbonylContact C-O 3.57Å; G289-I306 WeakPolarHBondContact CA-O 3.26Å; G289-R318 WeakPolarHBondContact O-CD 3.49Å |
| 290 | C | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.3 | 175.1 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | T279 G305 I306 I399 V401 | T279-C290 CarbonylContact O-C 3.59Å; T279-C290 VanDerWaalsContact O-CA 3.28Å; T279-C290 WeakPolarHBondContact O-CA 3.31Å; C290-G305 WeakPolarHBondContact O-CA 3.43Å; C290-I306 PolarHBondContact N-O 3.08Å; C290-I306 PolarHBondContact O-N 3.06Å; C290-I399 HydrophobicContact CB-CB 3.71Å; C290-I399 HydrophobicContact CB-CD1 3.92Å; C290-I399 HydrophobicContact CB-CG1 4.29Å; C290-I399 HydrophobicContact CB-CG2 4.05Å; C290-I399 WeakPolarHBondContact O-CD1 3.13Å; C290-V401 HydrophobicContact CB-CG2 4.41Å |
| 291 | L | 96.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.2 | 177.1 | -57.9 | 175.3 | 0 | 0 | 0 | 109.8 | S278 T279 F281 F304 I456 A459 K460 L463 | S278-L291 WeakPolarHBondContact CA-O 3.06Å; S278-L291 WeakPolarHBondContact CB-O 3.42Å; T279-L291 HydrophobicContact CG2-CB 4.22Å; T279-L291 HydrophobicContact CG2-CD1 4.35Å; T279-L291 PolarHBondContact N-O 3.08Å; T279-L291 VanDerWaalsContact N-O 3.1Å; T279-L291 PolarHBondContact O-N 3.28Å; F281-L291 HydrophobicContact CD1-CD1 4.17Å; F281-L291 HydrophobicContact CD1-CD2 3.97Å; F281-L291 HydrophobicContact CD1-CG 3.71Å; F281-L291 HydrophobicContact CE1-CD2 3.76Å; F281-L291 HydrophobicContact CE1-CG 4.03Å; L291-F304 CarbonylContact C-O 3.54Å; L291-F304 WeakPolarHBondContact CA-O 3.44Å; L291-I456 HydrophobicContact CB-CD1 4.34Å; L291-I456 HydrophobicContact CD1-CB 4.49Å; L291-I456 HydrophobicContact CD1-CD1 3.83Å; L291-I456 HydrophobicContact CD1-CG2 3.82Å; L291-A459 HydrophobicContact CD2-CB 3.84Å; L291-K460 HydrophobicContact CD1-CD 4.45Å; L291-K460 HydrophobicContact CD1-CG 3.84Å; L291-L463 HydrophobicContact CD2-CD1 4.23Å |
| 292 | L | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 101.4 | 174.4 | 176.4 | 66 | 0 | 0 | 0 | 109.1 | R277 F304 L397 I399 | R277-L292 CarbonylContact O-C 3.51Å; R277-L292 WeakPolarHBondContact O-CA 3.39Å; L292-F304 HydrophobicContact CB-CB 4.42Å; L292-F304 PolarHBondContact N-O 3.03Å; L292-F304 PolarHBondContact O-N 2.98Å; L292-L397 HydrophobicContact CD1-CB 4.38Å; L292-L397 HydrophobicContact CD1-CD2 4.22Å; L292-L397 HydrophobicContact CD1-CG 4.45Å; L292-I399 HydrophobicContact CB-CD1 4.02Å; L292-I399 HydrophobicContact CB-CG1 4.49Å; L292-I399 HydrophobicContact CB-CG2 4.15Å |
| 293 | E | 94.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133.7 | 169.1 | -69.1 | -165.6 | 95.4 | 0 | 0 | 110.6 | Q276 R277 C302 C303 R455 I456 | Q276-E293 VanDerWaalsContact CA-O 3.3Å; Q276-E293 WeakPolarHBondContact CA-O 3.34Å; R277-E293 IonicContact CZ-OE2 3.67Å; R277-E293 PolarHBondContact N-O 2.92Å; R277-E293 IonicContact NE-OE2 3.9Å; R277-E293 PolarHBondContact NE-OE2 3.27Å; R277-E293 IonicContact NH2-OE2 2.73Å; R277-E293 PolarHBondContact NH2-OE2 3.05Å; R277-E293 PolarHBondContact O-N 2.88Å; E293-C302 WeakPolarHBondContact CA-O 2.99Å; E293-C303 HydrophobicContact CG-CB 4.02Å; E293-R455 IonicContact OE1-CZ 2.75Å; E293-R455 VanDerWaalsContact OE1-CZ 3.31Å; E293-R455 IonicContact OE1-NE 2.82Å; E293-R455 PolarHBondContact OE1-NE 3.11Å; E293-R455 IonicContact OE1-NH2 3.51Å; E293-R455 PolarHBondContact OE1-NH2 3.05Å; E293-I456 HydrophobicContact CG-CD1 3.61Å; E293-I456 HydrophobicContact CG-CG1 4.28Å |
| 294 | R | 92 | Very high | 91.7 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 163 | 169.1 | 61 | -177.3 | -178.3 | 87.5 | 0.4 | 111.5 | H233 G234 P235 Q276 C302 F304 | H233-R294 PolarHBondContact O-NE 2.89Å; H233-R294 PolarHBondContact O-NH2 2.88Å; H233-R294 VanDerWaalsContact O-NH2 3.1Å; G234-R294 PolarHBondContact O-NH2 2.88Å; P235-R294 PolarHBondContact O-NH1 2.8Å; P235-R294 VanDerWaalsContact O-NH1 3.08Å; P235-R294 PolarHBondContact O-NH2 3.49Å; Q276-R294 HydrophobicContact CG-CB 4.01Å; R294-C302 PolarHBondContact N-O 3.01Å; R294-C302 PolarHBondContact O-N 3.33Å; R294-F304 HydrophobicContact CG-CD2 4.33Å; R294-F304 HydrophobicContact CG-CE2 4.18Å; R294-F304 VanDerWaalsContact CZ-CE2 3.41Å |
| 295 | T | 90.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 16.4 Ų | 16.4 | 10% | 0.104 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.5 | 167.9 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | T273 C274 L300 | T273-T295 HydrophobicContact CG2-CG2 4.32Å; C274-T295 PolarHBondContact N-OG1 3.09Å; T295-L300 CarbonylContact C-O 3.43Å; T295-L300 WeakPolarHBondContact CA-O 3.35Å |
| 296 | I | 90.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.1 | 174.7 | -54.8 | 168.9 | 0 | 0 | 0 | 108.1 | L111 I112 H237 D298 E299 L300 C302 F304 | L111-I296 HydrophobicContact CB-CD1 4.33Å; L111-I296 HydrophobicContact CD1-CD1 3.65Å; I112-I296 HydrophobicContact CD1-CG2 3.93Å; H237-I296 HydrophobicContact CB-CG2 3.9Å; H237-I296 VanDerWaalsContact CD2-CG2 3.44Å; H237-I296 WeakPolarHBondContact CD2-CG2 3.08Å; I296-D298 PolarHBondContact O-N 3.2Å; I296-D298 VanDerWaalsContact O-N 3.11Å; I296-E299 PolarHBondContact O-N 3.01Å; I296-E299 VanDerWaalsContact O-N 3.14Å; I296-L300 HydrophobicContact CB-CB 4.3Å; I296-L300 HydrophobicContact CD1-CD2 4.42Å; I296-L300 PolarHBondContact N-O 2.86Å; I296-L300 PolarHBondContact O-N 3.07Å; I296-C302 HydrophobicContact CD1-CB 3.53Å; I296-C302 HydrophobicContact CG1-CB 4.01Å; I296-F304 HydrophobicContact CD1-CE2 3.9Å; I296-F304 HydrophobicContact CD1-CZ 3.59Å; I296-F304 HydrophobicContact CG1-CE2 4.08Å; I296-F304 HydrophobicContact CG1-CZ 4.19Å |
| 297 | G | 86.1 | Confident | 93.7 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 11% | 0.113 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 16.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E299 | G297-E299 PolarHBondContact O-N 2.78Š|
| 298 | D | 81.4 | Confident | 93.8 | Very high | 77 Ų | 77 | 10.2 Ų | 10.2 | 41% | 0.412 | 6% | 0.056 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 12.5 | -170.3 | -67.2 | 3.7 | 0 | 0 | 0 | 115.5 | K239 I296 | K239-D298 WeakPolarHBondContact CD-OD2 3.42Å; K239-D298 WeakPolarHBondContact CE-OD1 3.3Å; K239-D298 WeakPolarHBondContact CE-OD2 3.19Å; K239-D298 HydrophobicContact CG-CB 4.48Å; K239-D298 VanDerWaalsContact NZ-CG 3.32Å; K239-D298 IonicContact NZ-OD1 3.33Å; K239-D298 PolarHBondContact NZ-OD1 3.39Å; K239-D298 IonicContact NZ-OD2 3.44Å; K239-D298 PolarHBondContact NZ-OD2 2.99Å; I296-D298 PolarHBondContact O-N 3.2Å; I296-D298 VanDerWaalsContact O-N 3.11Å |
| 299 | E | 86.1 | Confident | 93.8 | Very high | 56 Ų | 56 | 11.6 Ų | 11.6 | 26% | 0.262 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -23.3 | -176.1 | 63.1 | -167.8 | 170 | 0 | 0 | 114.4 | I112 R240 I296 G297 P301 | I112-E299 HydrophobicContact CD1-CG 3.95Å; I112-E299 WeakPolarHBondContact CD1-OE1 3.34Å; I112-E299 HydrophobicContact CG1-CG 4.31Å; I112-E299 WeakPolarHBondContact CG2-OE1 3.47Å; R240-E299 IonicContact CZ-OE1 3.37Å; R240-E299 VanDerWaalsContact CZ-OE1 3.32Å; R240-E299 IonicContact CZ-OE2 3.05Å; R240-E299 IonicContact NE-OE1 2.94Å; R240-E299 PolarHBondContact NE-OE1 2.95Å; R240-E299 IonicContact NE-OE2 3.06Å; R240-E299 PolarHBondContact NE-OE2 3.01Å; R240-E299 IonicContact NH2-OE1 3Å; R240-E299 PolarHBondContact NH2-OE1 2.83Å; R240-E299 IonicContact NH2-OE2 2.85Å; R240-E299 PolarHBondContact NH2-OE2 3.24Å; I296-E299 PolarHBondContact O-N 3.01Å; I296-E299 VanDerWaalsContact O-N 3.14Å; G297-E299 PolarHBondContact O-N 2.78Å; E299-P301 WeakPolarHBondContact O-CD 3.24Å |
| 300 | L | 92.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 3% | 0.031 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 97.7 | -173.6 | -173.5 | 69.3 | 0 | 0 | 0 | 112.2 | L111 I112 T295 I296 C302 S431 V434 | L111-L300 HydrophobicContact CB-CD2 4.24Å; L111-L300 VanDerWaalsContact O-CD2 3.23Å; L111-L300 WeakPolarHBondContact O-CD2 3.37Å; I112-L300 HydrophobicContact CB-CD2 4.49Å; I112-L300 HydrophobicContact CD1-CB 4.47Å; I112-L300 HydrophobicContact CG1-CB 3.81Å; I112-L300 HydrophobicContact CG1-CD2 3.67Å; I112-L300 HydrophobicContact CG1-CG 4.37Å; T295-L300 CarbonylContact C-O 3.43Å; T295-L300 WeakPolarHBondContact CA-O 3.35Å; I296-L300 HydrophobicContact CB-CB 4.3Å; I296-L300 HydrophobicContact CD1-CD2 4.42Å; I296-L300 PolarHBondContact N-O 2.86Å; I296-L300 PolarHBondContact O-N 3.07Å; L300-C302 PolarHBondContact O-N 2.89Å; L300-S431 WeakPolarHBondContact CD1-OG 3.41Å; L300-S431 WeakPolarHBondContact CD2-OG 3.24Å; L300-S431 WeakPolarHBondContact CG-OG 3.46Å; L300-V434 HydrophobicContact CD1-CG1 4.02Å |
| 301 | P | 93.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 125.2 | 170.8 | -21.3 | 33.5 | 0 | 0 | 0 | 111.2 | F271 E299 S431 | F271-P301 HydrophobicContact CB-CG 4.42Å; F271-P301 HydrophobicContact CD1-CG 4.14Å; E299-P301 WeakPolarHBondContact O-CD 3.24Å; P301-S431 PolarHBondContact O-OG 3.39Å |
| 302 | C | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.6 | -178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | E293 R294 I296 L300 F304 H430 | E293-C302 WeakPolarHBondContact CA-O 2.99Å; R294-C302 PolarHBondContact N-O 3.01Å; R294-C302 PolarHBondContact O-N 3.33Å; I296-C302 HydrophobicContact CD1-CB 3.53Å; I296-C302 HydrophobicContact CG1-CB 4.01Å; L300-C302 PolarHBondContact O-N 2.89Å; C302-F304 HydrophobicContact CB-CE2 4.31Å; C302-H430 WeakPolarHBondContact CA-O 3.32Å |
| 303 | C | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 109.8 | 164.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E293 H430 R455 A459 | E293-C303 HydrophobicContact CG-CB 4.02Å; C303-H430 PolarHBondContact N-O 3.18Å; C303-H430 PolarHBondContact O-N 2.8Å; C303-R455 HydrophobicContact CB-CB 3.82Å; C303-R455 WeakPolarHBondContact CB-O 3.09Å; C303-A459 HydrophobicContact CB-CB 4.19Å |
| 304 | F | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 147.6 | 165.6 | -65.4 | -82 | 0 | 0 | 0 | 109.2 | L111 W232 P235 L291 L292 R294 I296 C302 T428 W429 | L111-F304 HydrophobicContact CD1-CE1 4.06Å; L111-F304 HydrophobicContact CD1-CZ 3.96Å; W232-F304 AromaticContact CE2-CD1 3.99Å; W232-F304 HydrophobicContact CZ2-CD1 4.07Å; W232-F304 HydrophobicContact CZ2-CE1 4.23Å; W232-F304 AromaticContact NE1-CD1 3.31Å; W232-F304 VanDerWaalsContact NE1-CD1 3.31Å; W232-F304 AromaticContact NE1-CG 3.46Å; P235-F304 HydrophobicContact CG-CE1 4.47Å; P235-F304 HydrophobicContact CG-CZ 4.24Å; L291-F304 CarbonylContact C-O 3.54Å; L291-F304 WeakPolarHBondContact CA-O 3.44Å; L292-F304 HydrophobicContact CB-CB 4.42Å; L292-F304 PolarHBondContact N-O 3.03Å; L292-F304 PolarHBondContact O-N 2.98Å; R294-F304 HydrophobicContact CG-CD2 4.33Å; R294-F304 HydrophobicContact CG-CE2 4.18Å; R294-F304 VanDerWaalsContact CZ-CE2 3.41Å; I296-F304 HydrophobicContact CD1-CE2 3.9Å; I296-F304 HydrophobicContact CD1-CZ 3.59Å; I296-F304 HydrophobicContact CG1-CE2 4.08Å; I296-F304 HydrophobicContact CG1-CZ 4.19Å; C302-F304 HydrophobicContact CB-CE2 4.31Å; F304-T428 WeakPolarHBondContact CA-O 3.17Å; F304-W429 HydrophobicContact CD1-CB 3.76Å; F304-W429 HydrophobicContact CE1-CB 3.61Å |
| 305 | G | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C290 I427 T428 | C290-G305 WeakPolarHBondContact O-CA 3.43Å; G305-I427 CarbonylContact O-C 3.44Å; G305-I427 VanDerWaalsContact O-CA 3.3Å; G305-I427 WeakPolarHBondContact O-CA 3.47Å; G305-T428 PolarHBondContact N-O 3.1Å; G305-T428 PolarHBondContact O-N 3.49Å |
| 306 | I | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143 | 170 | 54.5 | 164.9 | 0 | 0 | 0 | 108.6 | F230 W232 G289 C290 I399 V401 A426 I427 | F230-I306 HydrophobicContact CD1-CB 4.05Å; F230-I306 HydrophobicContact CD1-CD1 4.45Å; F230-I306 HydrophobicContact CD1-CG2 3.79Å; F230-I306 HydrophobicContact CE1-CB 4.19Å; F230-I306 HydrophobicContact CE1-CG2 3.46Å; F230-I306 VanDerWaalsContact CE1-CG2 3.46Å; F230-I306 HydrophobicContact CG-CD1 4.43Å; F230-I306 HydrophobicContact CZ-CG2 3.99Å; F230-I306 WeakPolarHBondContact O-CD1 3.34Å; W232-I306 HydrophobicContact CB-CD1 3.99Å; W232-I306 HydrophobicContact CB-CG1 4.45Å; W232-I306 HydrophobicContact CB-CG2 3.96Å; W232-I306 HydrophobicContact CG-CG2 4.09Å; G289-I306 CarbonylContact C-O 3.57Å; G289-I306 WeakPolarHBondContact CA-O 3.26Å; C290-I306 PolarHBondContact N-O 3.08Å; C290-I306 PolarHBondContact O-N 3.06Å; I306-I399 HydrophobicContact CD1-CD1 4.31Å; I306-I399 HydrophobicContact CD1-CG1 4.05Å; I306-I399 HydrophobicContact CG1-CD1 3.7Å; I306-I399 HydrophobicContact CG1-CG1 4Å; I306-V401 HydrophobicContact CD1-CB 4.27Å; I306-V401 HydrophobicContact CD1-CG2 3.9Å; I306-V401 HydrophobicContact CG1-CG2 3.84Å; I306-A426 VanDerWaalsContact CA-O 3.29Å; I306-A426 WeakPolarHBondContact CA-O 3.26Å; I306-I427 HydrophobicContact CG2-CB 4.17Å; I306-I427 HydrophobicContact CG2-CD1 4.04Å; I306-I427 HydrophobicContact CG2-CG1 3.93Å |
| 307 | A | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F281 V287 L288 F425 A426 L463 | F281-A307 HydrophobicContact CZ-CB 3.97Å; V287-A307 HydrophobicContact CG1-CB 3.59Å; L288-A307 CarbonylContact O-C 3.52Å; L288-A307 WeakPolarHBondContact O-CA 3.06Å; A307-F425 CarbonylContact O-C 3.55Å; A307-F425 WeakPolarHBondContact O-CA 3.39Å; A307-A426 PolarHBondContact N-O 3.3Å; A307-A426 PolarHBondContact O-N 3.11Å; A307-L463 HydrophobicContact CB-CB 4.26Å; A307-L463 HydrophobicContact CB-CD1 4.14Å; A307-L463 HydrophobicContact CB-CD2 4.35Å; A307-L463 HydrophobicContact CB-CG 4.5Å |
| 308 | A | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L288 V316 V401 A403 E424 F425 | L288-A308 PolarHBondContact N-O 3.15Å; L288-A308 PolarHBondContact O-N 3.32Å; A308-V316 HydrophobicContact CB-CG1 4.02Å; A308-V316 HydrophobicContact CB-CG2 3.87Å; A308-V401 HydrophobicContact CB-CG1 3.65Å; A308-A403 HydrophobicContact CB-CB 4.1Å; A308-E424 WeakPolarHBondContact CA-O 3.44Å; A308-E424 WeakPolarHBondContact CB-O 3.25Å; A308-F425 HydrophobicContact CB-CD1 3.79Å; A308-F425 HydrophobicContact CB-CE1 3.8Å; A308-F425 HydrophobicContact CB-CG 4.41Å; A308-F425 HydrophobicContact CB-CZ 4.43Å |
| 309 | K | 97.5 | Very high | 95.3 | Very high | 56 Ų | 56 | 36 Ų | 36 | 24% | 0.243 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.1 | 176.6 | -165 | 174.5 | -165.2 | 154.5 | 0 | 111 | T311 E424 I467 | K309-T311 HydrophobicContact CG-CG2 4.39Å; K309-E424 HydrophobicContact CB-CB 4.07Å; K309-E424 WeakPolarHBondContact CD-OE2 3.34Å; K309-E424 PolarHBondContact N-O 3.45Å; K309-E424 VanDerWaalsContact N-O 3.15Å; K309-I467 HydrophobicContact CB-CG2 3.89Å; K309-I467 HydrophobicContact CD-CG2 3.65Å; K309-I467 HydrophobicContact CG-CG2 3.93Å |
| 310 | S | 96.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -86.7 | 141.3 | 170.6 | -169.4 | 0 | 0 | 0 | 0 | 110.3 | N286 V314 | N286-S310 VanDerWaalsContact CB-O 3.31Å; N286-S310 WeakPolarHBondContact CB-O 3.35Å; N286-S310 PolarHBondContact O-N 3.21Å; S310-V314 WeakPolarHBondContact CA-O 3.48Å; S310-V314 PolarHBondContact OG-O 3Å | ||
| 311 | T | 96.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 34 Ų | 34 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | B | Isolated β-bridge | trans | -146.7 | 174.4 | 176.5 | 68.4 | 0 | 0 | 0 | 0 | 109.3 | K309 K313 V314 | K309-T311 HydrophobicContact CG-CG2 4.39Å; T311-K313 PolarHBondContact O-N 2.82Å; T311-K313 PolarHBondContact OG1-N 3.47Å; T311-V314 PolarHBondContact N-O 3.06Å; T311-V314 CarbonylContact O-C 3.54Å; T311-V314 PolarHBondContact O-N 2.79Å; T311-V314 WeakPolarHBondContact OG1-CB 3.32Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.42Å; T311-V314 PolarHBondContact OG1-N 2.85Å |
| 312 | D | 94.9 | Very high | 95.5 | Very high | 180 Ų | 180 | 33.6 Ų | 33.6 | 96% | 0.963 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.3 | 174.7 | -57.8 | -21.3 | 0 | 0 | 0 | 113.6 | ||
| 313 | K | 96.2 | Very high | 95.3 | Very high | 168 Ų | 168 | 33.9 Ų | 33.9 | 73% | 0.73 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -6.5 | 179.8 | -62.7 | -177.7 | -179 | 177.4 | 0 | 113.9 | T311 T405 | T311-K313 PolarHBondContact O-N 2.82Å; T311-K313 PolarHBondContact OG1-N 3.47Å; K313-T405 PolarHBondContact O-OG1 2.72Å |
| 314 | V | 97.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 111 | -173.1 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | S310 T311 V316 A403 T404 E422 L423 | S310-V314 WeakPolarHBondContact CA-O 3.48Å; S310-V314 PolarHBondContact OG-O 3Å; T311-V314 PolarHBondContact N-O 3.06Å; T311-V314 CarbonylContact O-C 3.54Å; T311-V314 PolarHBondContact O-N 2.79Å; T311-V314 WeakPolarHBondContact OG1-CB 3.32Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.42Å; T311-V314 PolarHBondContact OG1-N 2.85Å; V314-V316 HydrophobicContact CG1-CG2 4.4Å; V314-A403 HydrophobicContact CG1-CB 3.97Å; V314-T404 CarbonylContact C-O 3.51Å; V314-T404 VanDerWaalsContact CA-O 3.3Å; V314-T404 WeakPolarHBondContact CA-O 3.49Å; V314-E422 WeakPolarHBondContact CG2-O 3.24Å; V314-L423 HydrophobicContact CB-CD2 4.31Å; V314-L423 HydrophobicContact CG1-CD2 3.55Å; V314-L423 HydrophobicContact CG2-CD2 3.78Å |
| 315 | E | 94.5 | Very high | 93.7 | Very high | 119 Ų | 119 | 36 Ų | 36 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130 | 173.1 | -177.4 | -174.5 | 180 | 0 | 0 | 109.6 | A403 T404 | E315-A403 CarbonylContact O-C 3.33Å; E315-A403 WeakPolarHBondContact O-CA 3.08Å; E315-T404 PolarHBondContact N-O 3.36Å; E315-T404 PolarHBondContact O-N 3.01Å |
| 316 | V | 94.3 | Very high | 92 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.7 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | L288 A308 V314 V401 S402 A403 | L288-V316 HydrophobicContact CB-CB 4.23Å; L288-V316 HydrophobicContact CB-CG1 3.72Å; L288-V316 HydrophobicContact CD2-CB 4.47Å; A308-V316 HydrophobicContact CB-CG1 4.02Å; A308-V316 HydrophobicContact CB-CG2 3.87Å; V314-V316 HydrophobicContact CG1-CG2 4.4Å; V316-V401 HydrophobicContact CG1-CG1 3.72Å; V316-S402 CarbonylContact C-O 3.55Å; V316-S402 VanDerWaalsContact CA-O 3.29Å; V316-S402 WeakPolarHBondContact CA-O 3.17Å; V316-A403 HydrophobicContact CG2-CB 4.42Å |
| 317 | S | 92.5 | Very high | 89.8 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 155.4 | 170.7 | 58.3 | 0 | 0 | 0 | 0 | 111 | I374 S402 | S317-I374 WeakPolarHBondContact OG-CD1 3.46Å; S317-S402 PolarHBondContact N-O 3.35Å; S317-S402 PolarHBondContact O-N 3.48Å |
| 318 | R | 93.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.4 | -171.8 | -69.2 | 173.1 | -70.3 | -176.4 | 2.2 | 111.2 | F281 S282 G289 D377 H379 | F281-R318 PolarHBondContact O-NH1 3.11Å; S282-R318 PolarHBondContact OG-NH1 3.32Å; G289-R318 WeakPolarHBondContact O-CD 3.49Å; R318-D377 IonicContact CZ-OD1 3.97Å; R318-D377 IonicContact CZ-OD2 3.68Å; R318-D377 VanDerWaalsContact NE-CG 3.26Å; R318-D377 IonicContact NE-OD1 3.49Å; R318-D377 PolarHBondContact NE-OD1 2.94Å; R318-D377 IonicContact NE-OD2 3.51Å; R318-D377 PolarHBondContact NE-OD2 2.85Å; R318-D377 IonicContact NH2-OD1 2.86Å; R318-D377 PolarHBondContact NH2-OD1 2.88Å; R318-D377 IonicContact NH2-OD2 3.5Å; R318-D377 PolarHBondContact NH2-OD2 3.17Å; R318-H379 PolarHBondContact NH2-CD2 3.13Å; R318-H379 PolarHBondContact NH2-CE1 3.4Å; R318-H379 PolarHBondContact NH2-ND1 3.45Å; R318-H379 VanDerWaalsContact NH2-ND1 3.16Å; R318-H379 PolarHBondContact NH2-NE2 2.84Å |
| 319 | C | 92.8 | Very high | 84.7 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 97.7 | 164.5 | -175.9 | 0 | 0 | 0 | 0 | 107 | G321 F365 A400 | C319-G321 PolarHBondContact O-N 2.85Å; C319-G321 VanDerWaalsContact O-N 3.07Å; C319-F365 HydrophobicContact CB-CD2 4.11Å; C319-F365 HydrophobicContact CB-CE2 3.72Å; C319-A400 HydrophobicContact CB-CB 4.15Å; C319-A400 PolarHBondContact N-O 2.97Å; C319-A400 PolarHBondContact O-N 3.42Å |
| 320 | P | 92 | Very high | 82.3 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -10.4 | -174.9 | 25 | -32 | 0 | 0 | 0 | 112.6 | S278 A280 Y383 I399 | S278-P320 WeakPolarHBondContact CB-O 3.48Å; S278-P320 PolarHBondContact OG-O 3.15Å; A280-P320 HydrophobicContact CB-CB 4.17Å; P320-Y383 HydrophobicContact CG-CE2 4.16Å; P320-I399 WeakPolarHBondContact O-CG2 3.33Å |
| 321 | G | 91.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 138.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C319 P360 A398 | C319-G321 PolarHBondContact O-N 2.85Å; C319-G321 VanDerWaalsContact O-N 3.07Å; G321-P360 WeakPolarHBondContact O-CD 3.23Å; G321-A398 CarbonylContact C-O 3.55Å; G321-A398 VanDerWaalsContact CA-O 3.23Å; G321-A398 WeakPolarHBondContact CA-O 3.5Å |
| 322 | F | 91.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.2 | 166.5 | 69.2 | -88 | 0 | 0 | 0 | 111.3 | V123 W158 F324 P360 A362 F365 A398 A400 | V123-F322 HydrophobicContact CG2-CE2 3.65Å; V123-F322 HydrophobicContact CG2-CZ 3.49Å; V123-F322 VanDerWaalsContact CG2-CZ 3.49Å; W158-F322 HydrophobicContact CH2-CE2 4.34Å; W158-F322 HydrophobicContact CH2-CZ 4.2Å; W158-F322 AromaticContact CZ2-CE2 3.95Å; W158-F322 HydrophobicContact CZ2-CE2 3.95Å; W158-F322 HydrophobicContact CZ2-CZ 4.16Å; F322-F324 HydrophobicContact CE2-CB 4.3Å; F322-P360 CarbonylContact C-O 3.6Å; F322-P360 VanDerWaalsContact CA-O 3.23Å; F322-P360 WeakPolarHBondContact CA-O 3.46Å; F322-P360 HydrophobicContact CB-CG 4.01Å; F322-P360 VanDerWaalsContact CB-O 3.31Å; F322-P360 WeakPolarHBondContact CB-O 3.33Å; F322-A362 HydrophobicContact CD2-CB 3.99Å; F322-A362 HydrophobicContact CE2-CB 4.09Å; F322-F365 HydrophobicContact CB-CB 4.2Å; F322-F365 HydrophobicContact CD1-CD1 4.23Å; F322-F365 HydrophobicContact CD1-CD2 4.36Å; F322-F365 HydrophobicContact CD1-CE1 4.44Å; F322-F365 HydrophobicContact CD1-CG 4.17Å; F322-F365 HydrophobicContact CD2-CB 4.42Å; F322-F365 HydrophobicContact CD2-CD1 4.34Å; F322-F365 HydrophobicContact CD2-CG 4.48Å; F322-F365 HydrophobicContact CE1-CD1 4.12Å; F322-F365 HydrophobicContact CE1-CE1 4Å; F322-F365 HydrophobicContact CE1-CZ 4.3Å; F322-F365 HydrophobicContact CE2-CD1 4.22Å; F322-F365 HydrophobicContact CG-CB 4.22Å; F322-F365 HydrophobicContact CG-CD1 4.33Å; F322-F365 HydrophobicContact CG-CG 4.15Å; F322-F365 HydrophobicContact CZ-CD1 4.1Å; F322-F365 HydrophobicContact CZ-CE1 4.1Å; F322-A398 HydrophobicContact CD1-CB 4.15Å; F322-A398 VanDerWaalsContact CD1-O 3.31Å; F322-A398 WeakPolarHBondContact CD1-O 3.38Å; F322-A398 HydrophobicContact CD2-CB 4.34Å; F322-A398 HydrophobicContact CE1-CB 3.6Å; F322-A398 HydrophobicContact CE2-CB 3.83Å; F322-A398 HydrophobicContact CG-CB 4.5Å; F322-A398 HydrophobicContact CZ-CB 3.43Å; F322-A398 VanDerWaalsContact CZ-CB 3.43Å; F322-A398 PolarHBondContact N-O 2.89Å; F322-A398 PolarHBondContact O-N 3.5Å; F322-A400 HydrophobicContact CE1-CB 4.13Å |
| 323 | C | 90.1 | Very high | 73.7 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.4 | -177.2 | -72 | 0 | 0 | 0 | 0 | 112.3 | Y356 P360 S361 A362 | C323-Y356 PolarHBondContact SG-O 3.24Å; C323-P360 PolarHBondContact N-O 3.16Å; C323-S361 CarbonylContact O-C 3.6Å; C323-A362 PolarHBondContact O-N 3.22Å |
| 324 | F | 86.4 | Confident | 70.9 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | trans | -125.7 | 7.7 | -179 | 69.7 | -82.4 | 0 | 0 | 0 | 114.4 | V123 L155 H233 F322 A362 K396 A398 | V123-F324 HydrophobicContact CB-CD1 4.39Å; V123-F324 HydrophobicContact CB-CD2 3.96Å; V123-F324 HydrophobicContact CB-CE1 4.46Å; V123-F324 HydrophobicContact CB-CE2 4.03Å; V123-F324 HydrophobicContact CB-CG 4.15Å; V123-F324 HydrophobicContact CB-CZ 4.29Å; V123-F324 HydrophobicContact CG1-CD1 4.3Å; V123-F324 HydrophobicContact CG1-CD2 4.17Å; V123-F324 HydrophobicContact CG1-CE1 3.9Å; V123-F324 HydrophobicContact CG1-CE2 3.75Å; V123-F324 HydrophobicContact CG1-CG 4.43Å; V123-F324 HydrophobicContact CG1-CZ 3.6Å; V123-F324 HydrophobicContact CG2-CB 4.41Å; V123-F324 HydrophobicContact CG2-CD1 4.1Å; V123-F324 HydrophobicContact CG2-CD2 4.36Å; V123-F324 HydrophobicContact CG2-CE1 4.5Å; V123-F324 HydrophobicContact CG2-CG 4.04Å; L155-F324 HydrophobicContact CD2-CB 3.94Å; H233-F324 HydrophobicContact CB-CE1 4.05Å; H233-F324 HydrophobicContact CB-CZ 3.9Å; H233-F324 AromaticContact CD2-CZ 3.86Å; H233-F324 AromaticContact CG-CE1 3.93Å; H233-F324 AromaticContact CG-CZ 3.61Å; H233-F324 AromaticContact ND1-CE1 3.86Å; H233-F324 AromaticContact ND1-CZ 3.86Å; F322-F324 HydrophobicContact CE2-CB 4.3Å; F324-A362 HydrophobicContact CB-CB 3.95Å; F324-K396 HydrophobicContact CD1-CB 4.26Å; F324-K396 WeakPolarHBondContact CD1-O 3.24Å; F324-K396 HydrophobicContact CE1-CB 3.53Å; F324-K396 HydrophobicContact CE2-CB 4.15Å; F324-K396 HydrophobicContact CE2-CD 4.12Å; F324-K396 HydrophobicContact CZ-CB 3.47Å; F324-K396 VanDerWaalsContact CZ-CB 3.47Å; F324-K396 HydrophobicContact CZ-CD 3.87Å; F324-K396 HydrophobicContact CZ-CG 4.33Å; F324-K396 PolarHBondContact N-O 3.38Å; F324-A398 HydrophobicContact CD1-CB 3.62Å; F324-A398 HydrophobicContact CE1-CB 3.64Å | ||
| 325 | H | 76.1 | Confident | 68 | Low | 36 Ų | 36 | 70.2 Ų | 70.2 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -110.4 | 170.1 | 170.7 | -149.3 | 61.5 | 0 | 0 | 0 | 111.3 | K327 K396 | H325-K327 PolarHBondContact O-N 3.21Å; H325-K396 HydrophobicContact CB-CB 4.11Å; H325-K396 HydrophobicContact CB-CG 4.21Å |
| 326 | D | 62.2 | Low | 65.5 | Low | 91 Ų | 91 | 67.4 Ų | 67.4 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | trans | -59.6 | 121.4 | 176 | -75.9 | -37.8 | 0 | 0 | 0 | 109.7 | K154 A328 | K154-D326 WeakPolarHBondContact CE-OD1 3.47Å; K154-D326 IonicContact NZ-OD1 3.75Å; D326-A328 PolarHBondContact O-N 3.37Å | ||
| 327 | K | 52.2 | Low | 62.9 | Low | 82 Ų | 82 | 75.3 Ų | 75.3 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | trans | -63.6 | 104.3 | 167.9 | -72.5 | -169.9 | 177.7 | -171.2 | 0 | 105.9 | H325 L329 T357 | H325-K327 PolarHBondContact O-N 3.21Å; K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 2.99Å; K327-T357 PolarHBondContact NZ-O 2.82Å | ||
| 328 | A | 47.2 | Very low | 60.3 | Low | 48 Ų | 48 | 81 Ų | 81 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | trans | -65.5 | 99 | 159.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | D326 H330 Y356 | D326-A328 PolarHBondContact O-N 3.37Å; A328-H330 PolarHBondContact O-N 3.37Å; A328-Y356 PolarHBondContact O-OH 3.15Å | ||
| 329 | L | 44 | Very low | 57.6 | Low | 142 Ų | 142 | 87.5 Ų | 87.5 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | trans | -66.1 | 90.1 | 164.5 | -108.8 | 106.5 | 0 | 0 | 0 | 106.1 | K327 | K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 2.99Å | ||
| 330 | H | 45.9 | Very low | 54.9 | Low | 149 Ų | 149 | 90.5 Ų | 90.5 | 69% | 0.69 | 47% | 0.47 | S | S | * | . | trans | -94.1 | 118.7 | 153.9 | -90 | -58.8 | 0 | 0 | 0 | 106.9 | A328 T332 | A328-H330 PolarHBondContact O-N 3.37Å; H330-T332 PolarHBondContact O-N 3.08Å | ||
| 331 | N | 36.9 | Very low | 52.2 | Low | 145 Ų | 145 | 96.7 Ų | 96.7 | 78% | 0.775 | 50% | 0.497 | S | S | * | . | trans | -67.9 | 45.7 | 178.3 | -77.3 | -14.1 | 0 | 0 | 0 | 112.6 | L333 | N331-L333 PolarHBondContact O-N 3.07Š| ||
| 332 | T | 38 | Very low | 49.3 | Very low | 117 Ų | 117 | 102.8 Ų | 102.8 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | trans | -99.2 | 89.8 | 171.7 | 40.3 | 0 | 0 | 0 | 0 | 108.7 | H330 H334 | H330-T332 PolarHBondContact O-N 3.08Å; T332-H334 PolarHBondContact O-N 3.37Å | ||
| 333 | L | 32.9 | Very low | 46.6 | Very low | 169 Ų | 169 | 108 Ų | 108 | 89% | 0.885 | 56% | 0.562 | S | S | * | * | trans | -45.7 | 101.1 | 154.6 | -74.1 | 145.9 | 0 | 0 | 0 | 109.2 | N331 | N331-L333 PolarHBondContact O-N 3.07Š| ||
| 334 | H | 37.5 | Very low | 43.8 | Very low | 164 Ų | 164 | 110.9 Ų | 110.9 | 76% | 0.759 | 59% | 0.592 | S | S | * | * | trans | -131.3 | 110.4 | 144.7 | -88.2 | -69.4 | 0 | 0 | 0 | 106 | T332 S336 | T332-H334 PolarHBondContact O-N 3.37Å; H334-S336 PolarHBondContact O-N 2.68Å | ||
| 335 | D | 37.2 | Very low | 41.3 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | trans | -61.4 | 71.6 | 156.4 | 179.9 | 10.1 | 0 | 0 | 0 | 106.6 | R337 | D335-R337 PolarHBondContact O-N 3.31Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 IonicContact OD1-NE 3.89Å; D335-R337 PolarHBondContact OD1-NE 3.08Å; D335-R337 IonicContact OD1-NH2 2.92Å; D335-R337 IonicContact OD2-CZ 3.83Å; D335-R337 IonicContact OD2-NE 3.74Å; D335-R337 IonicContact OD2-NH2 3.43Å; D335-R337 PolarHBondContact OD2-NH2 3.13Å | ||
| 336 | S | 40.3 | Very low | 39.2 | Very low | 60 Ų | 60 | 119.3 Ų | 119.3 | 42% | 0.42 | 66% | 0.656 | S | S | . | * | trans | -90.7 | 71 | 170.3 | 63.9 | 0 | 0 | 0 | 0 | 106.7 | H334 H338 | H334-S336 PolarHBondContact O-N 2.68Å; S336-H338 PolarHBondContact O-N 2.83Å | ||
| 337 | R | 40.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 67% | 0.672 | 68% | 0.677 | S | S | * | * | trans | -56.4 | 89.8 | 144 | -81.7 | 177.8 | -84.8 | 179.8 | -3.6 | 105.7 | D335 N339 | D335-R337 PolarHBondContact O-N 3.31Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 IonicContact OD1-NE 3.89Å; D335-R337 PolarHBondContact OD1-NE 3.08Å; D335-R337 IonicContact OD1-NH2 2.92Å; D335-R337 IonicContact OD2-CZ 3.83Å; D335-R337 IonicContact OD2-NE 3.74Å; D335-R337 IonicContact OD2-NH2 3.43Å; D335-R337 PolarHBondContact OD2-NH2 3.13Å; R337-N339 PolarHBondContact O-N 3.36Å | ||
| 338 | H | 39.1 | Very low | 37.5 | Very low | 140 Ų | 140 | 124 Ų | 124 | 65% | 0.648 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 125.3 | 175 | -102 | -65.1 | 0 | 0 | 0 | 107 | S336 | S336-H338 PolarHBondContact O-N 2.83Š|
| 339 | N | 35.9 | Very low | 37.8 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.8 | 172.7 | -85.6 | -24.4 | 0 | 0 | 0 | 109.6 | R337 E341 | R337-N339 PolarHBondContact O-N 3.36Å; N339-E341 PolarHBondContact O-N 3.17Å |
| 340 | P | 35.8 | Very low | 38.8 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 124.7 | -179 | 24.3 | -32.9 | 0 | 0 | 0 | 110.8 | V342 V350 | P340-V342 PolarHBondContact O-N 3.4Å; P340-V350 HydrophobicContact CB-CG1 3.6Å; P340-V350 HydrophobicContact CG-CG1 4.17Å |
| 341 | E | 36.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | trans | -70.2 | 113.5 | 166.5 | -78.7 | 179.1 | 156.8 | 0 | 0 | 108.2 | R277 N339 N343 | R277-E341 IonicContact NH1-OE2 2.75Å; N339-E341 PolarHBondContact O-N 3.17Å; E341-N343 VanDerWaalsContact C-N 3.3Å; E341-N343 PolarHBondContact O-N 3.13Å | ||
| 342 | V | 30.5 | Very low | 42.7 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | trans | -74 | 86.7 | 170.8 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | P340 G344 | P340-V342 PolarHBondContact O-N 3.4Å; V342-G344 PolarHBondContact O-N 3.09Å | ||
| 343 | N | 35.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | trans | -69.6 | 113.5 | 161.7 | -89.4 | -8.2 | 0 | 0 | 0 | 107.5 | E341 N345 | E341-N343 VanDerWaalsContact C-N 3.3Å; E341-N343 PolarHBondContact O-N 3.13Å; N343-N345 PolarHBondContact O-N 3.39Å | ||
| 344 | G | 29.7 | Very low | 47.8 | Very low | 66 Ų | 66 | 106.2 Ų | 106.2 | 68% | 0.68 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -64.3 | 94.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V342 | V342-G344 PolarHBondContact O-N 3.09Š|
| 345 | N | 34.7 | Very low | 50.2 | Low | 149 Ų | 149 | 100.2 Ų | 100.2 | 80% | 0.797 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -173.6 | 132.3 | 150.1 | -90.6 | -22.9 | 0 | 0 | 0 | 107.9 | N343 | N343-N345 PolarHBondContact O-N 3.39Š|
| 346 | G | 31.5 | Very low | 52.6 | Low | 74 Ų | 74 | 95.4 Ų | 95.4 | 76% | 0.763 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -52.5 | 145.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 347 | H | 35 | Very low | 54.7 | Low | 199 Ų | 199 | 95.9 Ų | 95.9 | 92% | 0.921 | 54% | 0.536 | S | S | * | . | trans | 73.9 | 39.8 | -179.2 | -56.1 | -67.1 | 0 | 0 | 0 | 116.9 | D349 | H347-D349 PolarHBondContact O-N 3.42Š| ||
| 348 | S | 43.7 | Very low | 57.1 | Low | 73 Ų | 73 | 93 Ų | 93 | 51% | 0.51 | 53% | 0.531 | S | S | . | . | trans | -72.7 | 108.9 | 165 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | V350 | S348-V350 PolarHBondContact O-N 3.07Š| ||
| 349 | D | 52.8 | Low | 59.5 | Low | 123 Ų | 123 | 86.5 Ų | 86.5 | 66% | 0.658 | 50% | 0.501 | S | S | * | . | trans | -53.4 | 114.1 | 157.9 | -73.4 | -36.3 | 0 | 0 | 0 | 107 | H347 I351 | H347-D349 PolarHBondContact O-N 3.42Å; D349-I351 PolarHBondContact O-N 3.04Å | ||
| 350 | V | 66.8 | Low | 62 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | trans | -67.4 | 105 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | P340 S348 | P340-V350 HydrophobicContact CB-CG1 3.6Å; P340-V350 HydrophobicContact CG-CG1 4.17Å; S348-V350 PolarHBondContact O-N 3.07Å | ||
| 351 | I | 78.2 | Confident | 64.6 | Low | 39 Ų | 39 | 78.6 Ų | 78.6 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | trans | -80.7 | 121.2 | 177.6 | -60 | 163.8 | 0 | 0 | 0 | 108.8 | T279 D349 Y353 | T279-I351 HydrophobicContact CG2-CD1 3.97Å; D349-I351 PolarHBondContact O-N 3.04Å; I351-Y353 HydrophobicContact CB-CE2 4.01Å; I351-Y353 HydrophobicContact CG2-CD1 4.35Å; I351-Y353 HydrophobicContact CG2-CD2 4.02Å; I351-Y353 HydrophobicContact CG2-CE1 3.99Å; I351-Y353 HydrophobicContact CG2-CE2 3.63Å; I351-Y353 HydrophobicContact CG2-CG 4.37Å | ||
| 352 | T | 85 | Confident | 67.3 | Low | 64 Ų | 64 | 71.6 Ų | 71.6 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.5 | 169.4 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | L354 T380 I381 G382 | T352-L354 HydrophobicContact CG2-CD2 4.47Å; T352-T380 PolarHBondContact N-O 3.49Å; T352-I381 WeakPolarHBondContact O-CA 3.29Å; T352-G382 PolarHBondContact O-N 3.38Å |
| 353 | Y | 88.2 | Confident | 70.2 | Confident | 43 Ų | 43 | 67 Ų | 67 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.9 | 177.1 | -70.8 | -82.7 | 0 | 0 | 0 | 111.1 | R277 S278 I351 G382 | R277-Y353 HydrophobicContact CB-CD1 4.39Å; R277-Y353 HydrophobicContact CB-CE1 3.92Å; R277-Y353 HydrophobicContact CG-CE1 4.49Å; S278-Y353 WeakPolarHBondContact O-CE1 3.21Å; I351-Y353 HydrophobicContact CB-CE2 4.01Å; I351-Y353 HydrophobicContact CG2-CD1 4.35Å; I351-Y353 HydrophobicContact CG2-CD2 4.02Å; I351-Y353 HydrophobicContact CG2-CE1 3.99Å; I351-Y353 HydrophobicContact CG2-CE2 3.63Å; I351-Y353 HydrophobicContact CG2-CG 4.37Å; Y353-G382 WeakPolarHBondContact CA-O 3.38Å |
| 354 | L | 90 | Very high | 72.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 161.1 | 171.7 | -60.5 | -179 | 0 | 0 | 0 | 111.1 | T352 E358 I381 G382 Y383 T384 | T352-L354 HydrophobicContact CG2-CD2 4.47Å; L354-E358 HydrophobicContact CB-CB 4.48Å; L354-I381 HydrophobicContact CD1-CG2 3.57Å; L354-I381 HydrophobicContact CG-CG2 3.91Å; L354-G382 PolarHBondContact N-O 2.96Å; L354-Y383 HydrophobicContact CB-CD1 4.01Å; L354-Y383 HydrophobicContact CB-CE1 4.21Å; L354-Y383 HydrophobicContact CD1-CE1 4.4Å; L354-Y383 CarbonylContact O-C 3.56Å; L354-Y383 VanDerWaalsContact O-CA 3.29Å; L354-Y383 WeakPolarHBondContact O-CA 3.23Å; L354-T384 PolarHBondContact O-N 2.93Å |
| 355 | S | 88.7 | Confident | 75.9 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.5 | 173.3 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | T357 E358 | S355-T357 WeakPolarHBondContact CB-OG1 3.34Å; S355-T357 PolarHBondContact O-N 3.37Å; S355-T357 PolarHBondContact OG-N 3.47Å; S355-T357 PolarHBondContact OG-OG1 2.8Å; S355-E358 PolarHBondContact N-OE1 3.37Å; S355-E358 WeakPolarHBondContact O-CB 3.38Å; S355-E358 PolarHBondContact O-N 3.21Å |
| 356 | Y | 86.6 | Confident | 78.7 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -22.7 | 172.5 | 81.5 | -82.7 | 0 | 0 | 0 | 113.3 | C323 A328 E358 A359 T384 V385 P395 | C323-Y356 PolarHBondContact SG-O 3.24Å; A328-Y356 PolarHBondContact O-OH 3.15Å; Y356-E358 PolarHBondContact O-N 3Å; Y356-A359 VanDerWaalsContact O-CB 3.31Å; Y356-A359 WeakPolarHBondContact O-CB 3.49Å; Y356-A359 PolarHBondContact O-N 3.35Å; Y356-A359 VanDerWaalsContact O-N 3.16Å; Y356-T384 PolarHBondContact N-O 3.08Å; Y356-V385 HydrophobicContact CD1-CG2 4.3Å; Y356-V385 HydrophobicContact CG-CG2 4.02Å; Y356-P395 HydrophobicContact CD1-CG 4.07Å; Y356-P395 HydrophobicContact CD2-CB 3.65Å; Y356-P395 HydrophobicContact CD2-CG 3.77Å; Y356-P395 HydrophobicContact CE1-CG 3.77Å; Y356-P395 HydrophobicContact CE2-CB 3.36Å; Y356-P395 HydrophobicContact CE2-CG 3.46Å; Y356-P395 VanDerWaalsContact CE2-CG 3.46Å; Y356-P395 HydrophobicContact CG-CB 4.4Å; Y356-P395 HydrophobicContact CG-CG 4.07Å; Y356-P395 VanDerWaalsContact CZ-CG 3.46Å |
| 357 | T | 85.8 | Confident | 81.6 | Confident | 70 Ų | 70 | 57 Ų | 57 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.8 | 176.8 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | K327 S355 | K327-T357 PolarHBondContact NZ-O 2.82Å; S355-T357 WeakPolarHBondContact CB-OG1 3.34Å; S355-T357 PolarHBondContact O-N 3.37Å; S355-T357 PolarHBondContact OG-N 3.47Å; S355-T357 PolarHBondContact OG-OG1 2.8Å |
| 358 | E | 89.4 | Confident | 84.3 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -17.9 | 177.1 | -60.4 | 178.6 | -101.4 | 0 | 0 | 112.2 | L354 S355 Y356 Y383 | L354-E358 HydrophobicContact CB-CB 4.48Å; S355-E358 PolarHBondContact N-OE1 3.37Å; S355-E358 WeakPolarHBondContact O-CB 3.38Å; S355-E358 PolarHBondContact O-N 3.21Å; Y356-E358 PolarHBondContact O-N 3Å; E358-Y383 HydrophobicContact CB-CE1 4.46Å |
| 359 | A | 89.1 | Confident | 86.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -64.1 | 142.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y356 Y383 L397 | Y356-A359 VanDerWaalsContact O-CB 3.31Å; Y356-A359 WeakPolarHBondContact O-CB 3.49Å; Y356-A359 PolarHBondContact O-N 3.35Å; Y356-A359 VanDerWaalsContact O-N 3.16Å; A359-Y383 VanDerWaalsContact CA-CE1 3.42Å; A359-Y383 HydrophobicContact CB-CD1 3.63Å; A359-Y383 HydrophobicContact CB-CD2 4.26Å; A359-Y383 HydrophobicContact CB-CE1 3.63Å; A359-Y383 HydrophobicContact CB-CE2 4.25Å; A359-Y383 HydrophobicContact CB-CG 3.95Å; A359-L397 HydrophobicContact CB-CD1 4.34Å |
| 360 | P | 89.8 | Confident | 88.4 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 16% | 0.156 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 145.3 | 174.9 | 23.7 | -33.4 | 0 | 0 | 0 | 110.6 | G321 F322 C323 Q364 | G321-P360 WeakPolarHBondContact O-CD 3.23Å; F322-P360 CarbonylContact C-O 3.6Å; F322-P360 VanDerWaalsContact CA-O 3.23Å; F322-P360 WeakPolarHBondContact CA-O 3.46Å; F322-P360 HydrophobicContact CB-CG 4.01Å; F322-P360 VanDerWaalsContact CB-O 3.31Å; F322-P360 WeakPolarHBondContact CB-O 3.33Å; C323-P360 PolarHBondContact N-O 3.16Å; P360-Q364 HydrophobicContact CB-CB 4.03Å |
| 361 | S | 90.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 157.1 | 166.9 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | C323 S363 Q364 F365 | C323-S361 CarbonylContact O-C 3.6Å; S361-S363 PolarHBondContact O-N 2.93Å; S361-Q364 WeakPolarHBondContact O-CB 3.18Å; S361-Q364 PolarHBondContact O-N 3.29Å; S361-Q364 WeakPolarHBondContact OG-CG 3.41Å; S361-Q364 PolarHBondContact OG-N 3.5Å; S361-Q364 PolarHBondContact OG-OE1 3.2Å; S361-F365 PolarHBondContact O-N 3.21Å |
| 362 | A | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -26.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L155 W158 F322 C323 F324 W366 | L155-A362 HydrophobicContact CD2-CB 3.69Å; W158-A362 HydrophobicContact CZ2-CB 4.41Å; W158-A362 PolarHBondContact NE1-O 3.27Å; F322-A362 HydrophobicContact CD2-CB 3.99Å; F322-A362 HydrophobicContact CE2-CB 4.09Å; C323-A362 PolarHBondContact O-N 3.22Å; F324-A362 HydrophobicContact CB-CB 3.95Å; A362-W366 WeakPolarHBondContact O-CB 3.39Å; A362-W366 PolarHBondContact O-N 3.44Å; A362-W366 VanDerWaalsContact O-N 3.1Å |
| 363 | S | 91.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.7 | -40.2 | 173.8 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | K157 S361 W366 N367 | K157-S363 WeakPolarHBondContact CG-OG 3.41Å; S361-S363 PolarHBondContact O-N 2.93Å; S363-W366 PolarHBondContact O-N 2.93Å; S363-N367 PolarHBondContact O-N 3.14Å; S363-N367 VanDerWaalsContact O-N 3.11Å |
| 364 | Q | 91.4 | Very high | 87.7 | Confident | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 172.6 | -74.7 | 163.3 | -54.7 | 0 | 0 | 110.6 | P360 S361 W366 N367 N368 | P360-Q364 HydrophobicContact CB-CB 4.03Å; S361-Q364 WeakPolarHBondContact O-CB 3.18Å; S361-Q364 PolarHBondContact O-N 3.29Å; S361-Q364 WeakPolarHBondContact OG-CG 3.41Å; S361-Q364 PolarHBondContact OG-N 3.5Å; S361-Q364 PolarHBondContact OG-OE1 3.2Å; Q364-W366 VanDerWaalsContact C-N 3.34Å; Q364-W366 PolarHBondContact O-N 3.17Å; Q364-N367 PolarHBondContact O-N 3.05Å; Q364-N368 WeakPolarHBondContact O-CB 3.48Å; Q364-N368 PolarHBondContact O-N 2.91Å; Q364-N368 PolarHBondContact O-OD1 2.89Å; Q364-N368 VanDerWaalsContact O-OD1 3.09Å |
| 365 | F | 92.6 | Very high | 86.2 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.1 | -47.3 | 174.9 | 172.8 | -111.1 | 0 | 0 | 0 | 112.2 | W158 T229 C319 F322 S361 N367 N368 L369 A400 | W158-F365 AromaticContact CZ2-CD1 3.99Å; W158-F365 HydrophobicContact CZ2-CD1 3.99Å; W158-F365 HydrophobicContact CZ2-CE1 4.21Å; T229-F365 HydrophobicContact CG2-CZ 4Å; C319-F365 HydrophobicContact CB-CD2 4.11Å; C319-F365 HydrophobicContact CB-CE2 3.72Å; F322-F365 HydrophobicContact CB-CB 4.2Å; F322-F365 HydrophobicContact CD1-CD1 4.23Å; F322-F365 HydrophobicContact CD1-CD2 4.36Å; F322-F365 HydrophobicContact CD1-CE1 4.44Å; F322-F365 HydrophobicContact CD1-CG 4.17Å; F322-F365 HydrophobicContact CD2-CB 4.42Å; F322-F365 HydrophobicContact CD2-CD1 4.34Å; F322-F365 HydrophobicContact CD2-CG 4.48Å; F322-F365 HydrophobicContact CE1-CD1 4.12Å; F322-F365 HydrophobicContact CE1-CE1 4Å; F322-F365 HydrophobicContact CE1-CZ 4.3Å; F322-F365 HydrophobicContact CE2-CD1 4.22Å; F322-F365 HydrophobicContact CG-CB 4.22Å; F322-F365 HydrophobicContact CG-CD1 4.33Å; F322-F365 HydrophobicContact CG-CG 4.15Å; F322-F365 HydrophobicContact CZ-CD1 4.1Å; F322-F365 HydrophobicContact CZ-CE1 4.1Å; S361-F365 PolarHBondContact O-N 3.21Å; F365-N367 PolarHBondContact O-N 2.92Å; F365-N368 PolarHBondContact O-N 3.42Å; F365-L369 HydrophobicContact CD1-CD1 4.24Å; F365-L369 HydrophobicContact CD2-CG 4.38Å; F365-L369 HydrophobicContact CE1-CD1 3.58Å; F365-L369 HydrophobicContact CE1-CG 4.3Å; F365-L369 HydrophobicContact CE2-CD1 4.03Å; F365-L369 HydrophobicContact CE2-CD2 4.05Å; F365-L369 HydrophobicContact CE2-CG 3.92Å; F365-L369 HydrophobicContact CZ-CD1 3.47Å; F365-L369 VanDerWaalsContact CZ-CD1 3.47Å; F365-L369 HydrophobicContact CZ-CD2 4.16Å; F365-L369 HydrophobicContact CZ-CG 3.9Å; F365-L369 WeakPolarHBondContact O-CG 3.07Å; F365-L369 PolarHBondContact O-N 2.87Å; F365-A400 HydrophobicContact CE1-CB 4.26Å; F365-A400 HydrophobicContact CE2-CB 3.85Å; F365-A400 HydrophobicContact CZ-CB 3.37Å |
| 366 | W | 94 | Very high | 84.7 | Confident | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.038 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 175.3 | 179.3 | -92.5 | 0 | 0 | 0 | 112.8 | I127 H139 V141 K157 W158 K159 A362 S363 Q364 N368 L369 Q370 | I127-W366 HydrophobicContact CD1-CE3 4.4Å; I127-W366 HydrophobicContact CD1-CZ3 4.19Å; I127-W366 HydrophobicContact CG2-CH2 4.44Å; I127-W366 HydrophobicContact CG2-CZ3 3.9Å; H139-W366 AromaticContact CD2-CD2 3.87Å; H139-W366 AromaticContact CD2-CE2 3.21Å; H139-W366 AromaticContact CD2-CH2 3.53Å; H139-W366 AromaticContact CD2-CZ2 3.04Å; H139-W366 WeakPolarHBondContact CD2-CZ2 3.5Å; H139-W366 AromaticContact CD2-NE1 3.62Å; H139-W366 AromaticContact CG-CZ2 3.9Å; H139-W366 AromaticContact NE2-CD2 3.33Å; H139-W366 VanDerWaalsContact NE2-CD2 3.33Å; H139-W366 AromaticContact NE2-CE2 3.22Å; H139-W366 AromaticContact NE2-CE3 3.51Å; H139-W366 AromaticContact NE2-CH2 3.52Å; H139-W366 AromaticContact NE2-CZ2 3.35Å; H139-W366 VanDerWaalsContact NE2-CZ2 3.35Å; H139-W366 WeakPolarHBondContact NE2-CZ2 3.23Å; H139-W366 AromaticContact NE2-CZ3 3.6Å; H139-W366 AromaticContact NE2-NE1 3.78Å; V141-W366 HydrophobicContact CG2-CH2 4.17Å; V141-W366 HydrophobicContact CG2-CZ3 3.77Å; K157-W366 PolarHBondContact O-NE1 3.43Å; W158-W366 HydrophobicContact CB-CD2 4.05Å; W158-W366 HydrophobicContact CB-CE3 3.57Å; W158-W366 HydrophobicContact CB-CH2 4.2Å; W158-W366 HydrophobicContact CB-CZ3 3.66Å; W158-W366 AromaticContact CD1-CD2 3.66Å; W158-W366 AromaticContact CD1-CE3 3.45Å; W158-W366 VanDerWaalsContact CD1-CE3 3.45Å; W158-W366 AromaticContact CD1-CG 3.72Å; W158-W366 AromaticContact CD2-CE3 3.97Å; W158-W366 HydrophobicContact CD2-CE3 3.97Å; W158-W366 HydrophobicContact CD2-CZ3 4.4Å; W158-W366 AromaticContact CG-CD2 3.97Å; W158-W366 HydrophobicContact CG-CD2 3.97Å; W158-W366 AromaticContact CG-CE3 3.4Å; W158-W366 HydrophobicContact CG-CE3 3.4Å; W158-W366 HydrophobicContact CG-CG 4.48Å; W158-W366 AromaticContact CG-CZ3 3.92Å; W158-W366 HydrophobicContact CG-CZ3 3.92Å; K159-W366 HydrophobicContact CB-CH2 3.84Å; K159-W366 HydrophobicContact CB-CZ2 3.58Å; A362-W366 WeakPolarHBondContact O-CB 3.39Å; A362-W366 PolarHBondContact O-N 3.44Å; A362-W366 VanDerWaalsContact O-N 3.1Å; S363-W366 PolarHBondContact O-N 2.93Å; Q364-W366 VanDerWaalsContact C-N 3.34Å; Q364-W366 PolarHBondContact O-N 3.17Å; W366-N368 VanDerWaalsContact C-N 3.33Å; W366-N368 PolarHBondContact O-N 3.08Å; W366-L369 PolarHBondContact O-N 3.31Å; W366-Q370 WeakPolarHBondContact O-CB 3.37Å; W366-Q370 PolarHBondContact O-N 3.35Å |
| 367 | N | 93.3 | Very high | 83.6 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.1 | -70 | -10.6 | 0 | 0 | 0 | 111.6 | S363 Q364 F365 L369 Q370 Y371 | S363-N367 PolarHBondContact O-N 3.14Å; S363-N367 VanDerWaalsContact O-N 3.11Å; Q364-N367 PolarHBondContact O-N 3.05Å; F365-N367 PolarHBondContact O-N 2.92Å; N367-L369 VanDerWaalsContact C-N 3.33Å; N367-L369 PolarHBondContact O-N 2.88Å; N367-Q370 PolarHBondContact O-N 2.98Å; N367-Q370 VanDerWaalsContact O-N 3.16Å; N367-Y371 HydrophobicContact CB-CD2 4.27Å; N367-Y371 HydrophobicContact CB-CE2 4.4Å; N367-Y371 WeakPolarHBondContact O-CD2 3.2Å; N367-Y371 PolarHBondContact O-N 3.47Å |
| 368 | N | 91.3 | Very high | 82.3 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.6 | -66.7 | 0.6 | 0 | 0 | 0 | 111 | Q364 F365 W366 D372 Q373 | Q364-N368 WeakPolarHBondContact O-CB 3.48Å; Q364-N368 PolarHBondContact O-N 2.91Å; Q364-N368 PolarHBondContact O-OD1 2.89Å; Q364-N368 VanDerWaalsContact O-OD1 3.09Å; F365-N368 PolarHBondContact O-N 3.42Å; W366-N368 VanDerWaalsContact C-N 3.33Å; W366-N368 PolarHBondContact O-N 3.08Å; N368-D372 PolarHBondContact O-N 3.17Å; N368-D372 VanDerWaalsContact O-N 3.13Å; N368-Q373 WeakPolarHBondContact CB-O 3.36Å; N368-Q373 PolarHBondContact O-N 3.14Å |
| 369 | L | 91.3 | Very high | 81.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.4 | -71.7 | -179.1 | 0 | 0 | 0 | 112 | I127 R131 T229 F365 W366 N367 I374 | I127-L369 HydrophobicContact CD1-CD1 4.24Å; R131-L369 PolarHBondContact NH2-O 3.21Å; T229-L369 HydrophobicContact CG2-CD1 4.03Å; T229-L369 HydrophobicContact CG2-CD2 4.29Å; F365-L369 HydrophobicContact CD1-CD1 4.24Å; F365-L369 HydrophobicContact CD2-CG 4.38Å; F365-L369 HydrophobicContact CE1-CD1 3.58Å; F365-L369 HydrophobicContact CE1-CG 4.3Å; F365-L369 HydrophobicContact CE2-CD1 4.03Å; F365-L369 HydrophobicContact CE2-CD2 4.05Å; F365-L369 HydrophobicContact CE2-CG 3.92Å; F365-L369 HydrophobicContact CZ-CD1 3.47Å; F365-L369 VanDerWaalsContact CZ-CD1 3.47Å; F365-L369 HydrophobicContact CZ-CD2 4.16Å; F365-L369 HydrophobicContact CZ-CG 3.9Å; F365-L369 WeakPolarHBondContact O-CG 3.07Å; F365-L369 PolarHBondContact O-N 2.87Å; W366-L369 PolarHBondContact O-N 3.31Å; N367-L369 VanDerWaalsContact C-N 3.33Å; N367-L369 PolarHBondContact O-N 2.88Å; L369-I374 HydrophobicContact CD2-CD1 3.96Å; L369-I374 HydrophobicContact CD2-CG1 4.4Å |
| 370 | Q | 91.4 | Very high | 80.3 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 23% | 0.229 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | -176.9 | -171 | 173.2 | -9.2 | 0 | 0 | 112.3 | R131 T136 H139 W366 N367 | R131-Q370 PolarHBondContact NH2-O 3.18Å; T136-Q370 WeakPolarHBondContact CB-O 3.38Å; T136-Q370 HydrophobicContact CG2-CG 4.13Å; T136-Q370 PolarHBondContact OG1-O 2.83Å; H139-Q370 HydrophobicContact CB-CG 4.34Å; W366-Q370 WeakPolarHBondContact O-CB 3.37Å; W366-Q370 PolarHBondContact O-N 3.35Å; N367-Q370 PolarHBondContact O-N 2.98Å; N367-Q370 VanDerWaalsContact O-N 3.16Å |
| 371 | Y | 87.5 | Confident | 79.9 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -100.6 | 10.6 | -173 | -60 | -65.1 | 0 | 0 | 0 | 114.3 | N367 Q373 | N367-Y371 HydrophobicContact CB-CD2 4.27Å; N367-Y371 HydrophobicContact CB-CE2 4.4Å; N367-Y371 WeakPolarHBondContact O-CD2 3.2Å; N367-Y371 PolarHBondContact O-N 3.47Å; Y371-Q373 PolarHBondContact O-N 3.31Å |
| 372 | D | 79.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 58 Ų | 58 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.1 | -178.1 | -143.5 | 18.3 | 0 | 0 | 0 | 112.4 | R131 K225 N368 I374 | R131-D372 IonicContact NH2-OD1 3.97Å; K225-D372 IonicContact NZ-OD2 2.93Å; N368-D372 PolarHBondContact O-N 3.17Å; N368-D372 VanDerWaalsContact O-N 3.13Å; D372-I374 VanDerWaalsContact C-N 3.33Å |
| 373 | Q | 72.1 | Confident | 79.8 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | trans | -101.2 | 34.6 | 178.5 | -62.5 | 177.5 | -6.9 | 0 | 0 | 110.7 | N368 Y371 P375 | N368-Q373 WeakPolarHBondContact CB-O 3.36Å; N368-Q373 PolarHBondContact O-N 3.14Å; Y371-Q373 PolarHBondContact O-N 3.31Å; Q373-P375 WeakPolarHBondContact O-CD 3.38Å | ||
| 374 | I | 63.9 | Low | 79.8 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 122.7 | 177.3 | -56 | 177.4 | 0 | 0 | 0 | 106.7 | S317 L369 D372 | S317-I374 WeakPolarHBondContact OG-CD1 3.46Å; L369-I374 HydrophobicContact CD2-CD1 3.96Å; L369-I374 HydrophobicContact CD2-CG1 4.4Å; D372-I374 VanDerWaalsContact C-N 3.33Å |
| 375 | P | 59.3 | Low | 79.6 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 149.5 | 177.8 | -23.6 | 32.6 | 0 | 0 | 0 | 110.5 | Q373 D377 | Q373-P375 WeakPolarHBondContact O-CD 3.38Å; P375-D377 PolarHBondContact O-N 2.9Å |
| 376 | P | 56.7 | Low | 78.8 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 142.6 | 176 | 11.1 | -20.6 | 0 | 0 | 0 | 111.1 | F378 | P376-F378 VanDerWaalsContact C-N 3.28Å; P376-F378 HydrophobicContact CB-CE2 4.31Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE1 4.47Å; P376-F378 HydrophobicContact CG-CE2 3.74Å; P376-F378 HydrophobicContact CG-CZ 3.67Å; P376-F378 WeakPolarHBondContact O-CD2 3.35Å; P376-F378 PolarHBondContact O-N 3.49Å |
| 377 | D | 62.8 | Low | 77.7 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | trans | -73.8 | 79.4 | -172.8 | -164 | -5.1 | 0 | 0 | 0 | 110.6 | R318 P375 H379 | R318-D377 IonicContact CZ-OD1 3.97Å; R318-D377 IonicContact CZ-OD2 3.68Å; R318-D377 VanDerWaalsContact NE-CG 3.26Å; R318-D377 IonicContact NE-OD1 3.49Å; R318-D377 PolarHBondContact NE-OD1 2.94Å; R318-D377 IonicContact NE-OD2 3.51Å; R318-D377 PolarHBondContact NE-OD2 2.85Å; R318-D377 IonicContact NH2-OD1 2.86Å; R318-D377 PolarHBondContact NH2-OD1 2.88Å; R318-D377 IonicContact NH2-OD2 3.5Å; R318-D377 PolarHBondContact NH2-OD2 3.17Å; P375-D377 PolarHBondContact O-N 2.9Å; D377-H379 PolarHBondContact O-CD2 3.1Å; D377-H379 VanDerWaalsContact O-CD2 3.25Å; D377-H379 PolarHBondContact O-N 2.89Å | ||
| 378 | F | 59.5 | Low | 76.4 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | trans | -72.7 | 95.6 | 178.3 | -63.1 | -69.8 | 0 | 0 | 0 | 109.5 | P376 T380 I381 | P376-F378 VanDerWaalsContact C-N 3.28Å; P376-F378 HydrophobicContact CB-CE2 4.31Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE1 4.47Å; P376-F378 HydrophobicContact CG-CE2 3.74Å; P376-F378 HydrophobicContact CG-CZ 3.67Å; P376-F378 WeakPolarHBondContact O-CD2 3.35Å; P376-F378 PolarHBondContact O-N 3.49Å; F378-T380 PolarHBondContact O-N 3.11Å; F378-I381 HydrophobicContact CB-CB 4.01Å; F378-I381 HydrophobicContact CB-CD1 3.76Å; F378-I381 HydrophobicContact CB-CG1 3.85Å; F378-I381 HydrophobicContact CD1-CD1 4.34Å; F378-I381 HydrophobicContact CD2-CD1 3.98Å; F378-I381 HydrophobicContact CG-CD1 3.78Å; F378-I381 HydrophobicContact CG-CG1 4.42Å; F378-I381 PolarHBondContact O-N 3.4Å | ||
| 379 | H | 65.9 | Low | 74.6 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -21.1 | 175.1 | -71.4 | -107.5 | 0 | 0 | 0 | 113.7 | S282 R318 D377 | S282-H379 PolarHBondContact OG-CE1 3.1Å; S282-H379 PolarHBondContact OG-ND1 2.95Å; R318-H379 PolarHBondContact NH2-CD2 3.13Å; R318-H379 PolarHBondContact NH2-CE1 3.4Å; R318-H379 PolarHBondContact NH2-ND1 3.45Å; R318-H379 VanDerWaalsContact NH2-ND1 3.16Å; R318-H379 PolarHBondContact NH2-NE2 2.84Å; D377-H379 PolarHBondContact O-CD2 3.1Å; D377-H379 VanDerWaalsContact O-CD2 3.25Å; D377-H379 PolarHBondContact O-N 2.89Å |
| 380 | T | 70.1 | Confident | 72.6 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2.3 | -172 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | T352 F378 | T352-T380 PolarHBondContact N-O 3.49Å; F378-T380 PolarHBondContact O-N 3.11Å |
| 381 | I | 81.7 | Confident | 70.9 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | -178.5 | -60.7 | 178.6 | 0 | 0 | 0 | 110.7 | T352 L354 F378 | T352-I381 WeakPolarHBondContact O-CA 3.29Å; L354-I381 HydrophobicContact CD1-CG2 3.57Å; L354-I381 HydrophobicContact CG-CG2 3.91Å; F378-I381 HydrophobicContact CB-CB 4.01Å; F378-I381 HydrophobicContact CB-CD1 3.76Å; F378-I381 HydrophobicContact CB-CG1 3.85Å; F378-I381 HydrophobicContact CD1-CD1 4.34Å; F378-I381 HydrophobicContact CD2-CD1 3.98Å; F378-I381 HydrophobicContact CG-CD1 3.78Å; F378-I381 HydrophobicContact CG-CG1 4.42Å; F378-I381 PolarHBondContact O-N 3.4Å |
| 382 | G | 89.5 | Confident | 69.2 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 176 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S278 T352 Y353 L354 | S278-G382 CarbonylContact O-C 3.55Å; S278-G382 WeakPolarHBondContact O-CA 3.38Å; T352-G382 PolarHBondContact O-N 3.38Å; Y353-G382 WeakPolarHBondContact CA-O 3.38Å; L354-G382 PolarHBondContact N-O 2.96Å |
| 383 | Y | 91.6 | Very high | 68.5 | Low | 31 Ų | 31 | 82.5 Ų | 82.5 | 12% | 0.122 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.3 | 173.8 | -60.5 | -82.4 | 0 | 0 | 0 | 111.1 | R277 S278 P320 L354 E358 A359 | R277-Y383 CarbonylContact C-O 3.42Å; R277-Y383 WeakPolarHBondContact CA-O 3.27Å; S278-Y383 PolarHBondContact N-O 3.04Å; S278-Y383 PolarHBondContact O-N 3.31Å; P320-Y383 HydrophobicContact CG-CE2 4.16Å; L354-Y383 HydrophobicContact CB-CD1 4.01Å; L354-Y383 HydrophobicContact CB-CE1 4.21Å; L354-Y383 HydrophobicContact CD1-CE1 4.4Å; L354-Y383 CarbonylContact O-C 3.56Å; L354-Y383 VanDerWaalsContact O-CA 3.29Å; L354-Y383 WeakPolarHBondContact O-CA 3.23Å; E358-Y383 HydrophobicContact CB-CE1 4.46Å; A359-Y383 VanDerWaalsContact CA-CE1 3.42Å; A359-Y383 HydrophobicContact CB-CD1 3.63Å; A359-Y383 HydrophobicContact CB-CD2 4.26Å; A359-Y383 HydrophobicContact CB-CE1 3.63Å; A359-Y383 HydrophobicContact CB-CE2 4.25Å; A359-Y383 HydrophobicContact CB-CG 3.95Å |
| 384 | T | 91.2 | Very high | 68.3 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.1 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | Q276 L354 Y356 | Q276-T384 CarbonylContact O-C 3.17Å; Q276-T384 WeakPolarHBondContact O-CA 3.02Å; L354-T384 PolarHBondContact O-N 2.93Å; Y356-T384 PolarHBondContact N-O 3.08Å |
| 385 | V | 87.2 | Confident | 69 | Low | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.03 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.9 | 168.1 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | S275 Q276 Y356 P395 L397 | S275-V385 WeakPolarHBondContact CB-O 3.36Å; Q276-V385 HydrophobicContact CB-CB 3.98Å; Q276-V385 HydrophobicContact CB-CG2 4.08Å; Q276-V385 HydrophobicContact CG-CB 4.48Å; Q276-V385 PolarHBondContact O-N 3.39Å; Y356-V385 HydrophobicContact CD1-CG2 4.3Å; Y356-V385 HydrophobicContact CG-CG2 4.02Å; V385-P395 HydrophobicContact CB-CG 4.49Å; V385-P395 HydrophobicContact CG1-CG 3.51Å; V385-P395 HydrophobicContact CG2-CG 4.2Å; V385-L397 HydrophobicContact CG2-CB 4.38Å |
| 386 | P | 76 | Confident | 70.3 | Confident | 83 Ų | 83 | 76.8 Ų | 76.8 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | trans | -61.5 | 144.6 | 179.5 | 25.1 | -32.8 | 0 | 0 | 0 | 111.4 | D388 | P386-D388 PolarHBondContact O-N 3.11Š| ||
| 387 | L | 70.8 | Confident | 71.9 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 58% | 0.581 | 38% | 0.376 | S | S | * | . | trans | -72.3 | 93.5 | 171 | -75.6 | 162.4 | 0 | 0 | 0 | 108.9 | T273 | T273-L387 HydrophobicContact CG2-CD2 4.31Å; T273-L387 WeakPolarHBondContact O-CD1 3.45Å | ||
| 388 | D | 64.7 | Low | 73.4 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | trans | -101 | 104 | 170.5 | -173.4 | -1.9 | 0 | 0 | 0 | 110.2 | P386 K390 A391 | P386-D388 PolarHBondContact O-N 3.11Å; D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 WeakPolarHBondContact OD1-CB 3.4Å; D388-K390 PolarHBondContact OD1-N 3.34Å; D388-A391 HydrophobicContact CB-CB 3.99Å; D388-A391 PolarHBondContact O-N 3.46Å | ||
| 389 | S | 54.3 | Low | 75.1 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 85% | 0.846 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.3 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 390 | K | 49.8 | Very low | 76.5 | Confident | 185 Ų | 185 | 60.7 Ų | 60.7 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15.8 | -179.4 | -63.4 | -177.4 | 179.8 | 177.4 | 0 | 113.3 | D388 K392 | D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 WeakPolarHBondContact OD1-CB 3.4Å; D388-K390 PolarHBondContact OD1-N 3.34Å; K390-K392 PolarHBondContact O-N 2.81Å |
| 391 | A | 54.2 | Low | 77.8 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | trans | -70.1 | 119.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D388 K393 | D388-A391 HydrophobicContact CB-CB 3.99Å; D388-A391 PolarHBondContact O-N 3.46Å; A391-K393 PolarHBondContact O-N 3.39Å | ||
| 392 | K | 52.3 | Low | 78.5 | Confident | 216 Ų | 216 | 55.7 Ų | 55.7 | 94% | 0.939 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -59.6 | -26.5 | 173.6 | -76.5 | -176.1 | 178.3 | 176.8 | 0 | 113 | K390 | K390-K392 PolarHBondContact O-N 2.81Š|
| 393 | K | 63.8 | Low | 78.8 | Confident | 147 Ų | 147 | 55.7 Ų | 55.7 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -145.1 | 116.7 | 175.6 | -66.9 | -177 | -179.5 | 176.6 | 0 | 108.7 | A391 | A391-K393 PolarHBondContact O-N 3.39Š|
| 394 | S | 68.8 | Low | 79.1 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | trans | -73.4 | 143.8 | 169.1 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 395 | P | 78.2 | Confident | 79.4 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | trans | -61.6 | 154.6 | 170 | 31.2 | -36.9 | 0 | 0 | 0 | 109.3 | Y356 V385 | Y356-P395 HydrophobicContact CD1-CG 4.07Å; Y356-P395 HydrophobicContact CD2-CB 3.65Å; Y356-P395 HydrophobicContact CD2-CG 3.77Å; Y356-P395 HydrophobicContact CE1-CG 3.77Å; Y356-P395 HydrophobicContact CE2-CB 3.36Å; Y356-P395 HydrophobicContact CE2-CG 3.46Å; Y356-P395 VanDerWaalsContact CE2-CG 3.46Å; Y356-P395 HydrophobicContact CG-CB 4.4Å; Y356-P395 HydrophobicContact CG-CG 4.07Å; Y356-P395 VanDerWaalsContact CZ-CG 3.46Å; V385-P395 HydrophobicContact CB-CG 4.49Å; V385-P395 HydrophobicContact CG1-CG 3.51Å; V385-P395 HydrophobicContact CG2-CG 4.2Å | ||
| 396 | K | 87 | Confident | 79.9 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | trans | -118.6 | 129.6 | -179 | -60.6 | -172 | 176.6 | -167.7 | 0 | 110.8 | N236 F324 H325 | N236-K396 PolarHBondContact ND2-NZ 3.03Å; F324-K396 HydrophobicContact CD1-CB 4.26Å; F324-K396 WeakPolarHBondContact CD1-O 3.24Å; F324-K396 HydrophobicContact CE1-CB 3.53Å; F324-K396 HydrophobicContact CE2-CB 4.15Å; F324-K396 HydrophobicContact CE2-CD 4.12Å; F324-K396 HydrophobicContact CZ-CB 3.47Å; F324-K396 VanDerWaalsContact CZ-CB 3.47Å; F324-K396 HydrophobicContact CZ-CD 3.87Å; F324-K396 HydrophobicContact CZ-CG 4.33Å; F324-K396 PolarHBondContact N-O 3.38Å; H325-K396 HydrophobicContact CB-CB 4.11Å; H325-K396 HydrophobicContact CB-CG 4.21Å | ||
| 397 | L | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.7 | 177.4 | -168.8 | 62.3 | 0 | 0 | 0 | 109.7 | H233 S278 L292 A359 V385 | H233-L397 PolarHBondContact ND1-O 3.25Å; S278-L397 WeakPolarHBondContact OG-CD2 3.4Å; L292-L397 HydrophobicContact CD1-CB 4.38Å; L292-L397 HydrophobicContact CD1-CD2 4.22Å; L292-L397 HydrophobicContact CD1-CG 4.45Å; A359-L397 HydrophobicContact CB-CD1 4.34Å; V385-L397 HydrophobicContact CG2-CB 4.38Å |
| 398 | A | 93.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V123 W232 H233 G321 F322 F324 | V123-A398 HydrophobicContact CG1-CB 4.17Å; V123-A398 HydrophobicContact CG2-CB 3.69Å; W232-A398 CarbonylContact O-C 3.57Å; W232-A398 VanDerWaalsContact O-CA 3.26Å; W232-A398 WeakPolarHBondContact O-CA 3.37Å; W232-A398 WeakPolarHBondContact O-CB 3.46Å; H233-A398 HydrophobicContact CB-CB 4.28Å; G321-A398 CarbonylContact C-O 3.55Å; G321-A398 VanDerWaalsContact CA-O 3.23Å; G321-A398 WeakPolarHBondContact CA-O 3.5Å; F322-A398 HydrophobicContact CD1-CB 4.15Å; F322-A398 VanDerWaalsContact CD1-O 3.31Å; F322-A398 WeakPolarHBondContact CD1-O 3.38Å; F322-A398 HydrophobicContact CD2-CB 4.34Å; F322-A398 HydrophobicContact CE1-CB 3.6Å; F322-A398 HydrophobicContact CE2-CB 3.83Å; F322-A398 HydrophobicContact CG-CB 4.5Å; F322-A398 HydrophobicContact CZ-CB 3.43Å; F322-A398 VanDerWaalsContact CZ-CB 3.43Å; F322-A398 PolarHBondContact N-O 2.89Å; F322-A398 PolarHBondContact O-N 3.5Å; F324-A398 HydrophobicContact CD1-CB 3.62Å; F324-A398 HydrophobicContact CE1-CB 3.64Å |
| 399 | I | 95.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 157.4 | 176.4 | 58 | 176.4 | 0 | 0 | 0 | 109.6 | S231 W232 C290 L292 I306 P320 | S231-I399 CarbonylContact C-O 3.56Å; S231-I399 WeakPolarHBondContact CA-O 3.22Å; W232-I399 HydrophobicContact CB-CG1 4.04Å; W232-I399 PolarHBondContact N-O 3.31Å; W232-I399 WeakPolarHBondContact O-CG1 3.42Å; W232-I399 PolarHBondContact O-N 3.11Å; C290-I399 HydrophobicContact CB-CB 3.71Å; C290-I399 HydrophobicContact CB-CD1 3.92Å; C290-I399 HydrophobicContact CB-CG1 4.29Å; C290-I399 HydrophobicContact CB-CG2 4.05Å; C290-I399 WeakPolarHBondContact O-CD1 3.13Å; L292-I399 HydrophobicContact CB-CD1 4.02Å; L292-I399 HydrophobicContact CB-CG1 4.49Å; L292-I399 HydrophobicContact CB-CG2 4.15Å; I306-I399 HydrophobicContact CD1-CD1 4.31Å; I306-I399 HydrophobicContact CD1-CG1 4.05Å; I306-I399 HydrophobicContact CG1-CD1 3.7Å; I306-I399 HydrophobicContact CG1-CG1 4Å; P320-I399 WeakPolarHBondContact O-CG2 3.33Å |
| 400 | A | 96 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T229 F230 C319 F322 F365 | T229-A400 HydrophobicContact CG2-CB 4.04Å; F230-A400 CarbonylContact O-C 3.54Å; F230-A400 WeakPolarHBondContact O-CA 3.35Å; C319-A400 HydrophobicContact CB-CB 4.15Å; C319-A400 PolarHBondContact N-O 2.97Å; C319-A400 PolarHBondContact O-N 3.42Å; F322-A400 HydrophobicContact CE1-CB 4.13Å; F365-A400 HydrophobicContact CE1-CB 4.26Å; F365-A400 HydrophobicContact CE2-CB 3.85Å; F365-A400 HydrophobicContact CZ-CB 3.37Å |
| 401 | V | 96.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | T229 F230 C290 I306 A308 V316 F425 | T229-V401 CarbonylContact C-O 3.6Å; T229-V401 WeakPolarHBondContact CA-O 2.95Å; F230-V401 PolarHBondContact N-O 2.97Å; F230-V401 PolarHBondContact O-N 2.86Å; C290-V401 HydrophobicContact CB-CG2 4.41Å; I306-V401 HydrophobicContact CD1-CB 4.27Å; I306-V401 HydrophobicContact CD1-CG2 3.9Å; I306-V401 HydrophobicContact CG1-CG2 3.84Å; A308-V401 HydrophobicContact CB-CG1 3.65Å; V316-V401 HydrophobicContact CG1-CG1 3.72Å; V401-F425 HydrophobicContact CB-CE1 4.48Å; V401-F425 HydrophobicContact CG1-CE1 4.24Å |
| 402 | S | 96.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.5 | 177.8 | -49 | 0 | 0 | 0 | 0 | 110.2 | I228 T229 V316 S317 | I228-S402 CarbonylContact O-C 3.49Å; I228-S402 VanDerWaalsContact O-CA 3.29Å; I228-S402 WeakPolarHBondContact O-CA 3.48Å; T229-S402 WeakPolarHBondContact CB-OG 3.48Å; T229-S402 VanDerWaalsContact CG2-OG 3.3Å; T229-S402 WeakPolarHBondContact CG2-OG 3.17Å; T229-S402 WeakPolarHBondContact OG1-CB 3.38Å; T229-S402 PolarHBondContact OG1-OG 3.42Å; V316-S402 CarbonylContact C-O 3.55Å; V316-S402 VanDerWaalsContact CA-O 3.29Å; V316-S402 WeakPolarHBondContact CA-O 3.17Å; S317-S402 PolarHBondContact N-O 3.35Å; S317-S402 PolarHBondContact O-N 3.48Å |
| 403 | A | 97.2 | Very high | 88 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T227 I228 A308 V314 E315 V316 L423 F425 | T227-A403 WeakPolarHBondContact CA-O 3.3Å; I228-A403 PolarHBondContact N-O 3.42Å; I228-A403 PolarHBondContact O-N 2.79Å; A308-A403 HydrophobicContact CB-CB 4.1Å; V314-A403 HydrophobicContact CG1-CB 3.97Å; E315-A403 CarbonylContact O-C 3.33Å; E315-A403 WeakPolarHBondContact O-CA 3.08Å; V316-A403 HydrophobicContact CG2-CB 4.42Å; A403-L423 HydrophobicContact CB-CB 4.28Å; A403-L423 HydrophobicContact CB-CD1 4.36Å; A403-L423 HydrophobicContact CB-CD2 3.91Å; A403-L423 HydrophobicContact CB-CG 4.43Å; A403-F425 HydrophobicContact CB-CE1 4.16Å; A403-F425 HydrophobicContact CB-CE2 3.99Å; A403-F425 HydrophobicContact CB-CZ 3.48Å; A403-F425 VanDerWaalsContact CB-CZ 3.48Å |
| 404 | T | 96.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.8 | -172.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | K225 V226 T227 V314 E315 | K225-T404 HydrophobicContact CD-CG2 4.1Å; K225-T404 HydrophobicContact CG-CG2 3.64Å; V226-T404 WeakPolarHBondContact O-CA 3.32Å; T227-T404 WeakPolarHBondContact CB-OG1 3.34Å; T227-T404 VanDerWaalsContact CG2-OG1 3.31Å; T227-T404 WeakPolarHBondContact CG2-OG1 3.17Å; T227-T404 VanDerWaalsContact OG1-CG2 3.26Å; T227-T404 WeakPolarHBondContact OG1-CG2 3.45Å; T227-T404 PolarHBondContact OG1-OG1 2.87Å; V314-T404 CarbonylContact C-O 3.51Å; V314-T404 VanDerWaalsContact CA-O 3.3Å; V314-T404 WeakPolarHBondContact CA-O 3.49Å; E315-T404 PolarHBondContact N-O 3.36Å; E315-T404 PolarHBondContact O-N 3.01Å |
| 405 | T | 97.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.8 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | V226 K313 V407 S421 L423 | V226-T405 PolarHBondContact N-O 2.71Å; V226-T405 PolarHBondContact O-N 3.1Å; K313-T405 PolarHBondContact O-OG1 2.72Å; T405-V407 HydrophobicContact CG2-CG2 4.36Å; T405-S421 WeakPolarHBondContact OG1-CB 3.16Å; T405-L423 HydrophobicContact CG2-CD2 3.89Å; T405-L423 HydrophobicContact CG2-CG 4.32Å |
| 406 | N | 96.9 | Very high | 88.6 | Confident | 112 Ų | 112 | 48 Ų | 48 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.2 | 170.3 | -64.9 | -50.6 | 0 | 0 | 0 | 108.8 | K225 S421 | K225-N406 WeakPolarHBondContact CB-OD1 3.35Å; N406-S421 PolarHBondContact O-OG 3.42Å |
| 407 | V | 96 | Very high | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.3 | 172.2 | -168.8 | 0 | 0 | 0 | 0 | 107.3 | V216 N223 L224 V226 T405 | V216-V407 HydrophobicContact CB-CG2 4.16Å; V216-V407 HydrophobicContact CG1-CG2 3.58Å; N223-V407 WeakPolarHBondContact CA-O 3.2Å; L224-V407 PolarHBondContact N-O 3.11Å; L224-V407 PolarHBondContact O-N 2.82Å; V226-V407 HydrophobicContact CG2-CG2 4.14Å; T405-V407 HydrophobicContact CG2-CG2 4.36Å |
| 408 | P | 93.7 | Very high | 88.7 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 158 | 179.6 | 28.1 | -33.7 | 0 | 0 | 0 | 110.8 | N223 S419 | N223-P408 WeakPolarHBondContact OD1-CA 3.34Å; P408-S419 WeakPolarHBondContact O-CB 3.35Å; P408-S419 PolarHBondContact O-OG 3.24Å |
| 409 | R | 92 | Very high | 88.7 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.5 | 172.2 | 66.7 | 177.3 | -165.4 | -172.4 | -3.6 | 111.2 | N220 K221 N223 N411 S419 | N220-R409 WeakPolarHBondContact O-CA 3.41Å; K221-R409 WeakPolarHBondContact O-CB 3.37Å; N223-R409 PolarHBondContact OD1-N 3.13Å; R409-N411 PolarHBondContact NE-OD1 3.38Å; R409-S419 PolarHBondContact O-OG 3.25Å |
| 410 | C | 88.1 | Confident | 88.6 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.081 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 117.6 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | N220 I412 | N220-C410 PolarHBondContact O-N 2.65Å; C410-I412 PolarHBondContact SG-O 2.85Å; C410-I412 VanDerWaalsContact SG-O 3.37Å |
| 411 | N | 80.1 | Confident | 88.7 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 66% | 0.658 | 30% | 0.302 | S | S | * | . | trans | -91.5 | -9.5 | -179.9 | -63.2 | -45.4 | 0 | 0 | 0 | 113.1 | R409 | R409-N411 PolarHBondContact NE-OD1 3.38Š| ||
| 412 | I | 74.9 | Confident | 88.8 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | trans | -108.1 | 141 | -171.8 | -52.9 | 174.5 | 0 | 0 | 0 | 108.2 | C410 D414 N417 | C410-I412 PolarHBondContact SG-O 2.85Å; C410-I412 VanDerWaalsContact SG-O 3.37Å; I412-D414 VanDerWaalsContact C-N 3.27Å; I412-D414 HydrophobicContact CG2-CB 3.82Å; I412-D414 PolarHBondContact O-N 3.19Å; I412-N417 HydrophobicContact CD1-CB 4.37Å | ||
| 413 | T | 68 | Low | 88.9 | Confident | 142 Ų | 142 | 59.8 Ų | 59.8 | 87% | 0.871 | 32% | 0.317 | S | S | * | . | trans | -85.3 | 2.7 | 178.9 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 414 | D | 73.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 35% | 0.353 | 32% | 0.322 | S | S | . | . | trans | -86 | 125.4 | -179.3 | 178 | 10.8 | 0 | 0 | 0 | 110.7 | I412 L416 N417 | I412-D414 VanDerWaalsContact C-N 3.27Å; I412-D414 HydrophobicContact CG2-CB 3.82Å; I412-D414 PolarHBondContact O-N 3.19Å; D414-L416 PolarHBondContact O-N 2.78Å; D414-L416 PolarHBondContact OD1-N 3.47Å; D414-N417 PolarHBondContact O-N 3.32Å; D414-N417 PolarHBondContact OD2-ND2 3.12Å | ||
| 415 | N | 69.3 | Low | 89 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.9 | -179.8 | -66.8 | -27.7 | 0 | 0 | 0 | 112.6 | W219 N417 | W219-N415 VanDerWaalsContact CZ2-O 3.23Å; W219-N415 WeakPolarHBondContact CZ2-O 3.48Å; W219-N415 PolarHBondContact NE1-O 2.8Å; N415-N417 VanDerWaalsContact C-N 3.34Å |
| 416 | L | 81.8 | Confident | 89.1 | Confident | 80 Ų | 80 | 60 Ų | 60 | 42% | 0.419 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.3 | -179.1 | -68.6 | 171.8 | 0 | 0 | 0 | 114.2 | K14 L15 D414 P418 | K14-L416 HydrophobicContact CB-CD2 3.9Å; K14-L416 HydrophobicContact CD-CD2 4.47Å; L15-L416 HydrophobicContact CD2-CD2 4.29Å; L15-L416 WeakPolarHBondContact CD2-O 3.33Å; D414-L416 PolarHBondContact O-N 2.78Å; D414-L416 PolarHBondContact OD1-N 3.47Å; L416-P418 WeakPolarHBondContact O-CD 3.08Å |
| 417 | N | 86.4 | Confident | 89.2 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -123.3 | 55.7 | 178.8 | -74.4 | -57.8 | 0 | 0 | 0 | 113.4 | I412 D414 N415 | I412-N417 HydrophobicContact CD1-CB 4.37Å; D414-N417 PolarHBondContact O-N 3.32Å; D414-N417 PolarHBondContact OD2-ND2 3.12Å; N415-N417 VanDerWaalsContact C-N 3.34Å |
| 418 | P | 92.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -70.2 | 156.7 | 178 | 27.4 | -32.3 | 0 | 0 | 0 | 113.1 | L15 I217 W219 L416 Q420 | L15-P418 HydrophobicContact CD1-CG 3.89Å; I217-P418 HydrophobicContact CG2-CB 3.41Å; I217-P418 VanDerWaalsContact CG2-CB 3.41Å; I217-P418 HydrophobicContact CG2-CG 3.45Å; I217-P418 VanDerWaalsContact CG2-CG 3.45Å; W219-P418 HydrophobicContact CD2-CB 3.96Å; W219-P418 HydrophobicContact CE3-CB 4.43Å; W219-P418 HydrophobicContact CG-CB 4.46Å; W219-P418 HydrophobicContact CH2-CB 4.19Å; W219-P418 HydrophobicContact CH2-CG 4.27Å; W219-P418 HydrophobicContact CZ2-CB 3.67Å; W219-P418 HydrophobicContact CZ2-CG 3.72Å; L416-P418 WeakPolarHBondContact O-CD 3.08Å; P418-Q420 HydrophobicContact CG-CG 4.31Å | ||
| 419 | S | 94 | Very high | 89.5 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.8 | 163.7 | -62.3 | 0 | 0 | 0 | 0 | 110 | S218 P408 R409 | S218-S419 PolarHBondContact N-O 2.84Å; S218-S419 PolarHBondContact O-N 2.62Å; P408-S419 WeakPolarHBondContact O-CB 3.35Å; P408-S419 PolarHBondContact O-OG 3.24Å; R409-S419 PolarHBondContact O-OG 3.25Å |
| 420 | Q | 94.2 | Very high | 89.8 | Confident | 83 Ų | 83 | 44.9 Ų | 44.9 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | -175 | -62 | -177.5 | 47.3 | 0 | 0 | 111.7 | V216 I217 P418 | V216-Q420 CarbonylContact O-C 3.59Å; V216-Q420 VanDerWaalsContact O-CA 3.27Å; V216-Q420 WeakPolarHBondContact O-CA 3.5Å; I217-Q420 HydrophobicContact CG1-CG 4.39Å; I217-Q420 HydrophobicContact CG2-CG 4.36Å; P418-Q420 HydrophobicContact CG-CG 4.31Å |
| 421 | S | 97.4 | Very high | 90.2 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 162.8 | 166.3 | -64.7 | 0 | 0 | 0 | 0 | 110 | V216 T405 N406 | V216-S421 PolarHBondContact N-O 2.82Å; V216-S421 PolarHBondContact O-N 3.39Å; T405-S421 WeakPolarHBondContact OG1-CB 3.16Å; N406-S421 PolarHBondContact O-OG 3.42Å |
| 422 | E | 97.7 | Very high | 90.9 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.4 | -173.4 | -54.2 | -174.2 | 165.5 | 0 | 0 | 111.7 | Y213 W214 K215 V314 R471 | Y213-E422 HydrophobicContact CE2-CB 3.92Å; Y213-E422 HydrophobicContact CE2-CG 4.23Å; Y213-E422 VanDerWaalsContact CE2-OE2 3.28Å; Y213-E422 WeakPolarHBondContact CE2-OE2 3.33Å; Y213-E422 VanDerWaalsContact CZ-OE2 3.31Å; Y213-E422 PolarHBondContact OH-OE1 3.42Å; Y213-E422 PolarHBondContact OH-OE2 2.87Å; W214-E422 CarbonylContact O-C 3.56Å; W214-E422 WeakPolarHBondContact O-CA 3.4Å; K215-E422 HydrophobicContact CG-CG 4.47Å; V314-E422 WeakPolarHBondContact CG2-O 3.24Å; E422-R471 IonicContact OE2-NH2 2.72Å |
| 423 | L | 98.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.2 | 175.1 | -49.8 | 166.4 | 0 | 0 | 0 | 109.3 | W214 V216 I228 V314 A403 T405 F425 | W214-L423 HydrophobicContact CB-CB 4.08Å; W214-L423 PolarHBondContact N-O 2.52Å; W214-L423 PolarHBondContact O-N 2.92Å; V216-L423 HydrophobicContact CG2-CD1 4.44Å; I228-L423 HydrophobicContact CB-CD1 3.84Å; I228-L423 HydrophobicContact CG1-CD1 3.51Å; V314-L423 HydrophobicContact CB-CD2 4.31Å; V314-L423 HydrophobicContact CG1-CD2 3.55Å; V314-L423 HydrophobicContact CG2-CD2 3.78Å; A403-L423 HydrophobicContact CB-CB 4.28Å; A403-L423 HydrophobicContact CB-CD1 4.36Å; A403-L423 HydrophobicContact CB-CD2 3.91Å; A403-L423 HydrophobicContact CB-CG 4.43Å; T405-L423 HydrophobicContact CG2-CD2 3.89Å; T405-L423 HydrophobicContact CG2-CG 4.32Å; L423-F425 HydrophobicContact CB-CE2 4.23Å |
| 424 | E | 98.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.2 | -177.8 | -61.8 | 178.6 | -164.5 | 0 | 0 | 109.4 | Y213 A308 K309 I467 W470 R471 | Y213-E424 HydrophobicContact CD2-CG 4.04Å; A308-E424 WeakPolarHBondContact CA-O 3.44Å; A308-E424 WeakPolarHBondContact CB-O 3.25Å; K309-E424 HydrophobicContact CB-CB 4.07Å; K309-E424 WeakPolarHBondContact CD-OE2 3.34Å; K309-E424 PolarHBondContact N-O 3.45Å; K309-E424 VanDerWaalsContact N-O 3.15Å; E424-I467 HydrophobicContact CB-CD1 4.2Å; E424-W470 HydrophobicContact CG-CZ2 4.12Å; E424-W470 PolarHBondContact OE2-NE1 2.94Å; E424-W470 VanDerWaalsContact OE2-NE1 3.08Å; E424-R471 IonicContact OE1-CZ 3.15Å; E424-R471 IonicContact OE1-NE 3.99Å; E424-R471 IonicContact OE1-NH2 2.71Å; E424-R471 PolarHBondContact OE1-NH2 2.82Å |
| 425 | F | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.8 | 170.5 | -65.5 | -95.1 | 0 | 0 | 0 | 110.7 | V211 F212 W214 I228 F230 A307 A308 V401 A403 L423 | V211-F425 CarbonylContact C-O 3.56Å; V211-F425 WeakPolarHBondContact CA-O 3.44Å; V211-F425 WeakPolarHBondContact CG1-O 3.49Å; F212-F425 HydrophobicContact CB-CB 4.27Å; F212-F425 PolarHBondContact N-O 3.19Å; F212-F425 PolarHBondContact O-N 3.1Å; W214-F425 AromaticContact CD1-CD2 3.63Å; W214-F425 AromaticContact CD1-CE2 3.98Å; W214-F425 AromaticContact NE1-CD2 3.73Å; I228-F425 HydrophobicContact CB-CE2 4.11Å; I228-F425 HydrophobicContact CB-CZ 4.24Å; I228-F425 HydrophobicContact CG2-CE2 3.91Å; I228-F425 HydrophobicContact CG2-CZ 4.16Å; I228-F425 WeakPolarHBondContact O-CZ 3.44Å; F230-F425 HydrophobicContact CB-CD1 3.85Å; F230-F425 HydrophobicContact CB-CE1 3.98Å; F230-F425 HydrophobicContact CD1-CB 4.35Å; F230-F425 HydrophobicContact CD1-CD1 4.31Å; A307-F425 CarbonylContact O-C 3.55Å; A307-F425 WeakPolarHBondContact O-CA 3.39Å; A308-F425 HydrophobicContact CB-CD1 3.79Å; A308-F425 HydrophobicContact CB-CE1 3.8Å; A308-F425 HydrophobicContact CB-CG 4.41Å; A308-F425 HydrophobicContact CB-CZ 4.43Å; V401-F425 HydrophobicContact CB-CE1 4.48Å; V401-F425 HydrophobicContact CG1-CE1 4.24Å; A403-F425 HydrophobicContact CB-CE1 4.16Å; A403-F425 HydrophobicContact CB-CE2 3.99Å; A403-F425 HydrophobicContact CB-CZ 3.48Å; A403-F425 VanDerWaalsContact CB-CZ 3.48Å; L423-F425 HydrophobicContact CB-CE2 4.23Å |
| 426 | A | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A210 V211 I306 A307 L463 A466 I467 | A210-A426 WeakPolarHBondContact O-CA 3.43Å; V211-A426 HydrophobicContact CG2-CB 4.32Å; I306-A426 VanDerWaalsContact CA-O 3.29Å; I306-A426 WeakPolarHBondContact CA-O 3.26Å; A307-A426 PolarHBondContact N-O 3.3Å; A307-A426 PolarHBondContact O-N 3.11Å; A426-L463 HydrophobicContact CB-CD2 3.77Å; A426-A466 HydrophobicContact CB-CB 4.14Å; A426-I467 HydrophobicContact CB-CD1 3.7Å; A426-I467 HydrophobicContact CB-CG1 3.83Å |
| 427 | I | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148 | 172 | -175.4 | 163.5 | 0 | 0 | 0 | 110.7 | I90 V209 A210 F212 F230 W232 G305 I306 W429 | I90-I427 HydrophobicContact CD1-CG2 4.05Å; V209-I427 VanDerWaalsContact CA-O 3.23Å; V209-I427 WeakPolarHBondContact CA-O 3.3Å; A210-I427 HydrophobicContact CB-CG2 4Å; A210-I427 PolarHBondContact N-O 3.04Å; A210-I427 VanDerWaalsContact N-O 3.09Å; A210-I427 PolarHBondContact O-N 3Å; F212-I427 HydrophobicContact CE2-CB 4.35Å; F212-I427 HydrophobicContact CE2-CG2 3.67Å; F212-I427 HydrophobicContact CZ-CG2 4.25Å; F230-I427 HydrophobicContact CE1-CB 4.1Å; F230-I427 HydrophobicContact CE1-CD1 4.29Å; F230-I427 HydrophobicContact CZ-CB 4.47Å; F230-I427 HydrophobicContact CZ-CD1 3.89Å; W232-I427 HydrophobicContact CD2-CD1 3.58Å; W232-I427 HydrophobicContact CE3-CD1 3.54Å; W232-I427 HydrophobicContact CG-CD1 4.42Å; W232-I427 HydrophobicContact CH2-CD1 3.38Å; W232-I427 HydrophobicContact CZ2-CD1 3.43Å; W232-I427 VanDerWaalsContact CZ2-CD1 3.43Å; W232-I427 HydrophobicContact CZ3-CD1 3.44Å; W232-I427 VanDerWaalsContact CZ3-CD1 3.44Å; G305-I427 CarbonylContact O-C 3.44Å; G305-I427 VanDerWaalsContact O-CA 3.3Å; G305-I427 WeakPolarHBondContact O-CA 3.47Å; I306-I427 HydrophobicContact CG2-CB 4.17Å; I306-I427 HydrophobicContact CG2-CD1 4.04Å; I306-I427 HydrophobicContact CG2-CG1 3.93Å; I427-W429 HydrophobicContact CG2-CZ3 4.4Å |
| 428 | T | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.8 | 168.3 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | P208 F304 G305 A459 L462 L463 | P208-T428 VanDerWaalsContact O-CA 3.26Å; P208-T428 WeakPolarHBondContact O-CA 3.47Å; P208-T428 WeakPolarHBondContact O-CB 3.4Å; P208-T428 PolarHBondContact O-OG1 2.62Å; F304-T428 WeakPolarHBondContact CA-O 3.17Å; G305-T428 PolarHBondContact N-O 3.1Å; G305-T428 PolarHBondContact O-N 3.49Å; T428-A459 HydrophobicContact CG2-CB 3.94Å; T428-L462 HydrophobicContact CG2-CB 4.49Å; T428-L463 HydrophobicContact CG2-CD1 4.1Å; T428-L463 HydrophobicContact CG2-CD2 4.06Å; T428-L463 HydrophobicContact CG2-CG 3.75Å |
| 429 | W | 98.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 80 | 168.4 | 52 | 92.6 | 0 | 0 | 0 | 109 | I90 G91 S95 G96 I98 L111 P208 F304 I427 S431 | I90-W429 HydrophobicContact CB-CH2 4.39Å; I90-W429 HydrophobicContact CD1-CH2 4.35Å; I90-W429 HydrophobicContact CD1-CZ3 3.93Å; I90-W429 HydrophobicContact CG1-CH2 4.09Å; I90-W429 HydrophobicContact CG1-CZ3 4.18Å; I90-W429 WeakPolarHBondContact O-CH2 3.47Å; G91-W429 VanDerWaalsContact CA-CZ2 3.47Å; S95-W429 PolarHBondContact O-NE1 2.84Å; G96-W429 VanDerWaalsContact O-CZ2 3.28Å; G96-W429 WeakPolarHBondContact O-CZ2 3.41Å; G96-W429 PolarHBondContact O-NE1 3.23Å; I98-W429 HydrophobicContact CD1-CD2 4.01Å; I98-W429 HydrophobicContact CD1-CE3 3.62Å; I98-W429 HydrophobicContact CD1-CZ3 4.03Å; I98-W429 HydrophobicContact CG1-CD2 4.37Å; I98-W429 HydrophobicContact CG1-CE3 4.26Å; I98-W429 HydrophobicContact CG1-CZ3 4.42Å; L111-W429 HydrophobicContact CD1-CB 4.43Å; L111-W429 HydrophobicContact CD2-CD2 4.45Å; L111-W429 HydrophobicContact CD2-CG 3.96Å; P208-W429 HydrophobicContact CB-CD2 4.25Å; P208-W429 HydrophobicContact CB-CG 4.26Å; P208-W429 HydrophobicContact CB-CZ2 4.33Å; P208-W429 PolarHBondContact O-N 2.92Å; F304-W429 HydrophobicContact CD1-CB 3.76Å; F304-W429 HydrophobicContact CE1-CB 3.61Å; I427-W429 HydrophobicContact CG2-CZ3 4.4Å; W429-S431 PolarHBondContact O-N 2.8Å |
| 430 | H | 98 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 104.7 | -174.4 | -178.3 | 77.5 | 0 | 0 | 0 | 110.4 | C302 C303 P432 Y447 P452 R455 A459 L462 | C302-H430 WeakPolarHBondContact CA-O 3.32Å; C303-H430 PolarHBondContact N-O 3.18Å; C303-H430 PolarHBondContact O-N 2.8Å; H430-P432 WeakPolarHBondContact NE2-CG 3.28Å; H430-Y447 AromaticContact CE1-CE2 3.65Å; H430-Y447 AromaticContact ND1-CE2 3.44Å; H430-Y447 WeakPolarHBondContact ND1-CE2 3.47Å; H430-Y447 AromaticContact ND1-CZ 3.73Å; H430-Y447 PolarHBondContact ND1-OH 3.15Å; H430-Y447 VanDerWaalsContact ND1-OH 3.16Å; H430-P452 PolarHBondContact CE1-O 2.85Å; H430-P452 PolarHBondContact NE2-O 3Å; H430-R455 PolarHBondContact CD2-O 3.07Å; H430-A459 HydrophobicContact CB-CB 4.01Å; H430-L462 HydrophobicContact CB-CD1 4.03Å; H430-L462 VanDerWaalsContact ND1-CD1 3.27Å; H430-L462 WeakPolarHBondContact ND1-CD1 3.29Å |
| 431 | S | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | trans | -132.3 | 73.5 | -177.6 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L300 P301 W429 I433 R445 Y447 | L300-S431 WeakPolarHBondContact CD1-OG 3.41Å; L300-S431 WeakPolarHBondContact CD2-OG 3.24Å; L300-S431 WeakPolarHBondContact CG-OG 3.46Å; P301-S431 PolarHBondContact O-OG 3.39Å; W429-S431 PolarHBondContact O-N 2.8Å; S431-I433 PolarHBondContact O-N 2.7Å; S431-R445 VanDerWaalsContact O-CD 3.28Å; S431-R445 WeakPolarHBondContact O-CD 3.21Å; S431-R445 PolarHBondContact O-NE 2.87Å; S431-Y447 PolarHBondContact N-OH 3.1Å | ||
| 432 | P | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.032 | 10% | 0.096 | C | C | . | . | trans | -72.8 | -32.6 | -161.8 | 27 | -34.4 | 0 | 0 | 0 | 113.7 | H430 T444 R445 Y447 V448 V453 | H430-P432 WeakPolarHBondContact NE2-CG 3.28Å; P432-T444 CarbonylContact O-C 3.46Å; P432-T444 VanDerWaalsContact O-CA 3.26Å; P432-T444 WeakPolarHBondContact O-CA 3.34Å; P432-R445 PolarHBondContact O-N 2.89Å; P432-Y447 WeakPolarHBondContact CA-OH 3.48Å; P432-V448 HydrophobicContact CB-CG2 3.41Å; P432-V448 VanDerWaalsContact CB-CG2 3.41Å; P432-V453 HydrophobicContact CG-CG1 4.29Å; P432-V453 WeakPolarHBondContact CG-O 3.39Å | ||
| 433 | I | 95.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 15.9 Ų | 15.9 | 22% | 0.215 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.5 | -177.8 | -54.9 | 178.2 | 0 | 0 | 0 | 108.3 | F271 S431 V442 Y443 V453 | F271-I433 HydrophobicContact CE1-CB 4.15Å; F271-I433 HydrophobicContact CE1-CG2 3.69Å; F271-I433 HydrophobicContact CZ-CG2 3.59Å; S431-I433 PolarHBondContact O-N 2.7Å; I433-V442 HydrophobicContact CG2-CG1 3.33Å; I433-Y443 CarbonylContact C-O 3.08Å; I433-Y443 WeakPolarHBondContact CA-O 3.42Å; I433-V453 HydrophobicContact CD1-CG1 3.85Å; I433-V453 HydrophobicContact CG1-CG1 4.06Å |
| 434 | V | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.5 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | P113 L300 Y443 R445 L513 | P113-V434 HydrophobicContact CG-CB 4.12Å; P113-V434 HydrophobicContact CG-CG1 4.44Å; P113-V434 HydrophobicContact CG-CG2 4.46Å; L300-V434 HydrophobicContact CD1-CG1 4.02Å; V434-Y443 PolarHBondContact N-O 2.88Å; V434-Y443 PolarHBondContact O-N 2.97Å; V434-R445 HydrophobicContact CG1-CG 4.11Å; V434-L513 HydrophobicContact CG2-CD1 4.22Å; V434-L513 HydrophobicContact CG2-CD2 3.48Å; V434-L513 VanDerWaalsContact CG2-CD2 3.48Å |
| 435 | K | 92.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 16.1 Ų | 16.1 | 24% | 0.239 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.9 | 175.5 | 175.5 | 172.8 | -179.4 | 179.4 | 0 | 107.8 | F271 G439 | F271-K435 HydrophobicContact CE2-CB 3.55Å; F271-K435 HydrophobicContact CE2-CD 3.96Å; F271-K435 HydrophobicContact CE2-CG 4.35Å; F271-K435 HydrophobicContact CZ-CB 3.55Å; K435-G439 WeakPolarHBondContact CE-O 3.33Å; K435-G439 PolarHBondContact NZ-O 3Å |
| 436 | F | 93.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | trans | -77.9 | 148.1 | 170.7 | -61 | -80.9 | 0 | 0 | 0 | 109.7 | P113 T438 G439 Y443 V511 L513 Y592 P656 D658 E659 P660 W661 | P113-F436 HydrophobicContact CB-CD1 3.79Å; P113-F436 HydrophobicContact CB-CE1 3.63Å; P113-F436 HydrophobicContact CG-CE1 4.41Å; F436-T438 PolarHBondContact O-N 3.46Å; F436-G439 PolarHBondContact O-N 3.34Å; F436-Y443 HydrophobicContact CD2-CD2 4.15Å; F436-Y443 AromaticContact CD2-CE2 3.64Å; F436-Y443 HydrophobicContact CD2-CE2 3.64Å; F436-Y443 HydrophobicContact CE2-CD2 4.04Å; F436-Y443 AromaticContact CE2-CE2 3.66Å; F436-Y443 HydrophobicContact CE2-CE2 3.66Å; F436-V511 HydrophobicContact CZ-CG2 4.32Å; F436-L513 HydrophobicContact CE2-CD1 3.77Å; F436-L513 HydrophobicContact CZ-CD1 3.68Å; F436-Y592 HydrophobicContact CD1-CE2 4.34Å; F436-Y592 AromaticContact CE1-CE2 3.62Å; F436-Y592 HydrophobicContact CE1-CE2 3.62Å; F436-Y592 AromaticContact CE1-CZ 3.98Å; F436-Y592 HydrophobicContact CZ-CE2 4.39Å; F436-P656 HydrophobicContact CD1-CB 4.23Å; F436-D658 WeakPolarHBondContact CB-O 3.46Å; F436-E659 WeakPolarHBondContact CD2-OE1 3.48Å; F436-P660 HydrophobicContact CD1-CG 3.96Å; F436-P660 HydrophobicContact CD2-CG 4.3Å; F436-P660 HydrophobicContact CE1-CG 3.84Å; F436-P660 HydrophobicContact CE2-CG 4.21Å; F436-P660 HydrophobicContact CG-CG 4.18Å; F436-P660 HydrophobicContact CZ-CG 3.97Å; F436-W661 AromaticContact CE2-CZ3 3.87Å; F436-W661 HydrophobicContact CE2-CZ3 3.87Å; F436-W661 HydrophobicContact CZ-CH2 4.42Å; F436-W661 AromaticContact CZ-CZ3 3.85Å; F436-W661 HydrophobicContact CZ-CZ3 3.85Å | ||
| 437 | R | 90 | Very high | 94.3 | Very high | 45 Ų | 45 | 16.7 Ų | 16.7 | 17% | 0.17 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -65.2 | -158.6 | -174.4 | 177.3 | 177.9 | 67.1 | -5.5 | 113.8 | H69 R240 T241 P656 E657 | H69-R437 PolarHBondContact O-NH2 3.3Å; R240-R437 VanDerWaalsContact CD-NH1 3.33Å; T241-R437 PolarHBondContact O-NH2 3.34Å; R437-P656 PolarHBondContact N-O 2.92Å; R437-E657 WeakPolarHBondContact CD-OE1 3.19Å; R437-E657 WeakPolarHBondContact CD-OE2 3.29Å; R437-E657 IonicContact CZ-OE2 3.94Å; R437-E657 IonicContact NE-OE1 3.35Å; R437-E657 IonicContact NE-OE2 3.13Å; R437-E657 PolarHBondContact NE-OE2 2.89Å |
| 438 | T | 86.9 | Confident | 94.2 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 16% | 0.16 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 13.7 | 174.1 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | R70 F436 E657 | R70-T438 VanDerWaalsContact CZ-CG2 3.45Å; R70-T438 PolarHBondContact NH1-OG1 2.94Å; R70-T438 VanDerWaalsContact NH1-OG1 3.16Å; R70-T438 VanDerWaalsContact NH2-CG2 3.34Å; R70-T438 PolarHBondContact NH2-OG1 2.67Å; F436-T438 PolarHBondContact O-N 3.46Å; T438-E657 PolarHBondContact N-O 3.47Å; T438-E657 PolarHBondContact OG1-O 2.95Å |
| 439 | G | 86.5 | Confident | 94.1 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | trans | -62.1 | 162.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | K435 F436 E659 | K435-G439 WeakPolarHBondContact CE-O 3.33Å; K435-G439 PolarHBondContact NZ-O 3Å; F436-G439 PolarHBondContact O-N 3.34Å; G439-E659 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 440 | D | 86.1 | Confident | 94 | Very high | 115 Ų | 115 | 27 Ų | 27 | 62% | 0.615 | 13% | 0.126 | S | C | * | . | trans | -113.6 | -12.9 | 177.9 | -68.3 | -39 | 0 | 0 | 0 | 111.6 | E659 | D440-E659 PolarHBondContact N-OE2 3.45Š| ||
| 441 | V | 90 | Very high | 94 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | trans | -83.9 | 133.9 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | Y443 P515 V534 E659 | V441-Y443 HydrophobicContact CB-CD2 4.35Å; V441-Y443 HydrophobicContact CB-CE1 4.48Å; V441-Y443 HydrophobicContact CB-CE2 3.53Å; V441-Y443 HydrophobicContact CG1-CD1 4.29Å; V441-Y443 HydrophobicContact CG1-CD2 4.12Å; V441-Y443 HydrophobicContact CG1-CE1 3.81Å; V441-Y443 HydrophobicContact CG1-CE2 3.6Å; V441-Y443 HydrophobicContact CG1-CG 4.44Å; V441-Y443 VanDerWaalsContact CG1-CZ 3.43Å; V441-Y443 WeakPolarHBondContact O-CD2 3.43Å; V441-Y443 WeakPolarHBondContact O-CE2 3.34Å; V441-P515 HydrophobicContact CG1-CB 3.85Å; V441-V534 HydrophobicContact CG1-CG2 4.4Å; V441-V534 HydrophobicContact CG2-CG1 4.47Å; V441-E659 WeakPolarHBondContact CB-OE2 3.39Å; V441-E659 HydrophobicContact CG2-CG 4.47Å; V441-E659 WeakPolarHBondContact CG2-OE2 3.35Å; V441-E659 PolarHBondContact N-OE2 3.23Å | ||
| 442 | V | 92.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.5 | 169.1 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | A270 F271 I433 I516 | A270-V442 HydrophobicContact CB-CG2 4.49Å; F271-V442 HydrophobicContact CE2-CG1 4.39Å; F271-V442 HydrophobicContact CZ-CG1 4.22Å; I433-V442 HydrophobicContact CG2-CG1 3.33Å; V442-I516 HydrophobicContact CB-CD1 4.34Å; V442-I516 HydrophobicContact CG1-CD1 3.77Å; V442-I516 WeakPolarHBondContact O-CB 3.44Å; V442-I516 WeakPolarHBondContact O-CG1 3.16Å; V442-I516 PolarHBondContact O-N 3.35Å |
| 443 | Y | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149 | -178.2 | -60.5 | -94.1 | 0 | 0 | 0 | 110.9 | I433 V434 F436 V441 L513 D514 P515 V534 L580 E659 | I433-Y443 CarbonylContact C-O 3.08Å; I433-Y443 WeakPolarHBondContact CA-O 3.42Å; V434-Y443 PolarHBondContact N-O 2.88Å; V434-Y443 PolarHBondContact O-N 2.97Å; F436-Y443 HydrophobicContact CD2-CD2 4.15Å; F436-Y443 AromaticContact CD2-CE2 3.64Å; F436-Y443 HydrophobicContact CD2-CE2 3.64Å; F436-Y443 HydrophobicContact CE2-CD2 4.04Å; F436-Y443 AromaticContact CE2-CE2 3.66Å; F436-Y443 HydrophobicContact CE2-CE2 3.66Å; V441-Y443 HydrophobicContact CB-CD2 4.35Å; V441-Y443 HydrophobicContact CB-CE1 4.48Å; V441-Y443 HydrophobicContact CB-CE2 3.53Å; V441-Y443 HydrophobicContact CG1-CD1 4.29Å; V441-Y443 HydrophobicContact CG1-CD2 4.12Å; V441-Y443 HydrophobicContact CG1-CE1 3.81Å; V441-Y443 HydrophobicContact CG1-CE2 3.6Å; V441-Y443 HydrophobicContact CG1-CG 4.44Å; V441-Y443 VanDerWaalsContact CG1-CZ 3.43Å; V441-Y443 WeakPolarHBondContact O-CD2 3.43Å; V441-Y443 WeakPolarHBondContact O-CE2 3.34Å; Y443-L513 HydrophobicContact CD1-CB 3.82Å; Y443-L513 HydrophobicContact CD1-CD1 4.02Å; Y443-L513 HydrophobicContact CD2-CD1 4.32Å; Y443-L513 HydrophobicContact CG-CB 4.2Å; Y443-L513 HydrophobicContact CG-CD1 3.88Å; Y443-D514 CarbonylContact C-O 3.47Å; Y443-D514 VanDerWaalsContact CA-O 3.29Å; Y443-D514 WeakPolarHBondContact CA-O 3.47Å; Y443-P515 HydrophobicContact CD1-CB 3.98Å; Y443-P515 HydrophobicContact CE1-CB 3.86Å; Y443-V534 HydrophobicContact CE1-CG2 3.76Å; Y443-V534 WeakPolarHBondContact OH-CG1 3.4Å; Y443-V534 VanDerWaalsContact OH-CG2 3.27Å; Y443-V534 WeakPolarHBondContact OH-CG2 3.28Å; Y443-L580 HydrophobicContact CE1-CD1 4.05Å; Y443-E659 WeakPolarHBondContact CE2-OE1 3.22Å; Y443-E659 PolarHBondContact OH-OE1 2.61Å |
| 444 | T | 96.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 34.4 Ų | 34.4 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147.2 | 156.5 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | P432 V448 L513 D514 I516 | P432-T444 CarbonylContact O-C 3.46Å; P432-T444 VanDerWaalsContact O-CA 3.26Å; P432-T444 WeakPolarHBondContact O-CA 3.34Å; T444-V448 HydrophobicContact CG2-CG1 4.28Å; T444-L513 CarbonylContact O-C 3.46Å; T444-L513 VanDerWaalsContact O-CA 3.26Å; T444-L513 WeakPolarHBondContact O-CA 3.38Å; T444-D514 PolarHBondContact N-O 3.25Å; T444-D514 PolarHBondContact O-N 2.78Å; T444-D514 PolarHBondContact OG1-O 3.22Å; T444-I516 HydrophobicContact CG2-CD1 3.76Å; T444-I516 HydrophobicContact CG2-CG1 3.94Å |
| 445 | R | 97.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.8 | 165.2 | -69.4 | -176.3 | 177.6 | -86.4 | 9.8 | 109 | G94 S95 L111 S431 P432 V434 Y447 V448 W512 L513 | G94-R445 PolarHBondContact O-NH1 2.79Å; S95-R445 VanDerWaalsContact O-CZ 3.32Å; S95-R445 PolarHBondContact O-NH1 3.09Å; L111-R445 PolarHBondContact O-NH2 2.91Å; S431-R445 VanDerWaalsContact O-CD 3.28Å; S431-R445 WeakPolarHBondContact O-CD 3.21Å; S431-R445 PolarHBondContact O-NE 2.87Å; P432-R445 PolarHBondContact O-N 2.89Å; V434-R445 HydrophobicContact CG1-CG 4.11Å; R445-Y447 HydrophobicContact CB-CD1 3.76Å; R445-Y447 HydrophobicContact CB-CE1 3.57Å; R445-Y447 HydrophobicContact CG-CE1 4.3Å; R445-Y447 PolarHBondContact O-N 2.83Å; R445-V448 WeakPolarHBondContact O-CB 3.19Å; R445-V448 WeakPolarHBondContact O-CG2 3.43Å; R445-V448 PolarHBondContact O-N 3.26Å; R445-W512 CarbonylContact C-O 3.55Å; R445-W512 WeakPolarHBondContact CA-O 3.34Å; R445-L513 HydrophobicContact CG-CD2 4.1Å |
| 446 | R | 97.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 3% | 0.034 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -53.9 | -36.4 | -171.3 | -177.3 | 174 | 175 | -78.6 | 2.8 | 114.4 | Y202 V448 R449 W450 W512 I578 | Y202-R446 PolarHBondContact O-NH1 3.2Å; R446-V448 PolarHBondContact O-N 3.48Å; R446-R449 WeakPolarHBondContact O-CB 3.46Å; R446-R449 WeakPolarHBondContact O-CG 3.32Å; R446-R449 PolarHBondContact O-N 3.04Å; R446-W450 HydrophobicContact CG-CH2 4.2Å; R446-W450 HydrophobicContact CG-CZ3 4.13Å; R446-W450 WeakPolarHBondContact O-CZ3 3.43Å; R446-W512 HydrophobicContact CB-CB 4.26Å; R446-W512 HydrophobicContact CB-CD2 4.37Å; R446-W512 HydrophobicContact CB-CG 3.95Å; R446-W512 WeakPolarHBondContact CB-O 3.34Å; R446-W512 VanDerWaalsContact CD-CD1 3.45Å; R446-W512 VanDerWaalsContact CD-CD2 3.5Å; R446-W512 PolarHBondContact N-O 3.49Å; R446-I578 WeakPolarHBondContact CD-O 3.34Å; R446-I578 PolarHBondContact NE-O 3.17Å |
| 447 | Y | 98 | Very high | 93.7 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -58.4 | -21.7 | -180 | 75.1 | -99.9 | 0 | 0 | 0 | 113 | P208 H430 S431 P432 R445 R449 W450 F451 L462 | P208-Y447 HydrophobicContact CB-CE1 4.41Å; P208-Y447 HydrophobicContact CG-CD1 4.03Å; P208-Y447 HydrophobicContact CG-CD2 4.41Å; P208-Y447 HydrophobicContact CG-CE1 3.65Å; P208-Y447 HydrophobicContact CG-CE2 4.13Å; P208-Y447 HydrophobicContact CG-CG 4.39Å; H430-Y447 AromaticContact CE1-CE2 3.65Å; H430-Y447 AromaticContact ND1-CE2 3.44Å; H430-Y447 WeakPolarHBondContact ND1-CE2 3.47Å; H430-Y447 AromaticContact ND1-CZ 3.73Å; H430-Y447 PolarHBondContact ND1-OH 3.15Å; H430-Y447 VanDerWaalsContact ND1-OH 3.16Å; S431-Y447 PolarHBondContact N-OH 3.1Å; P432-Y447 WeakPolarHBondContact CA-OH 3.48Å; R445-Y447 HydrophobicContact CB-CD1 3.76Å; R445-Y447 HydrophobicContact CB-CE1 3.57Å; R445-Y447 HydrophobicContact CG-CE1 4.3Å; R445-Y447 PolarHBondContact O-N 2.83Å; Y447-R449 PolarHBondContact O-N 3.05Å; Y447-W450 PolarHBondContact O-N 3.19Å; Y447-F451 HydrophobicContact CD2-CB 4.27Å; Y447-F451 HydrophobicContact CD2-CD2 4.37Å; Y447-F451 PolarHBondContact O-N 3.3Å; Y447-L462 HydrophobicContact CE2-CD1 4.08Å |
| 448 | V | 97.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -63.9 | -16.7 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | P432 T444 R445 R446 W450 F451 V453 | P432-V448 HydrophobicContact CB-CG2 3.41Å; P432-V448 VanDerWaalsContact CB-CG2 3.41Å; T444-V448 HydrophobicContact CG2-CG1 4.28Å; R445-V448 WeakPolarHBondContact O-CB 3.19Å; R445-V448 WeakPolarHBondContact O-CG2 3.43Å; R445-V448 PolarHBondContact O-N 3.26Å; R446-V448 PolarHBondContact O-N 3.48Å; V448-W450 PolarHBondContact O-N 3.02Å; V448-W450 VanDerWaalsContact O-N 3.13Å; V448-F451 CarbonylContact C-O 3.59Å; V448-F451 WeakPolarHBondContact CA-O 3.45Å; V448-F451 PolarHBondContact O-N 2.92Å; V448-V453 HydrophobicContact CG1-CG2 3.46Å; V448-V453 VanDerWaalsContact CG1-CG2 3.46Å |
| 449 | R | 96.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 34.9 Ų | 34.9 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58.2 | -24 | 169.4 | -67.3 | -179.9 | 179.5 | -149.7 | 1.7 | 113.3 | R446 Y447 D514 R576 E577 | R446-R449 WeakPolarHBondContact O-CB 3.46Å; R446-R449 WeakPolarHBondContact O-CG 3.32Å; R446-R449 PolarHBondContact O-N 3.04Å; Y447-R449 PolarHBondContact O-N 3.05Å; R449-D514 IonicContact CZ-OD1 2.73Å; R449-D514 IonicContact CZ-OD2 2.64Å; R449-D514 IonicContact NE-OD1 3.61Å; R449-D514 IonicContact NE-OD2 3.91Å; R449-D514 PolarHBondContact NE-OD2 3.35Å; R449-D514 VanDerWaalsContact NH2-CG 3.34Å; R449-D514 IonicContact NH2-OD1 2.78Å; R449-D514 PolarHBondContact NH2-OD1 2.91Å; R449-D514 IonicContact NH2-OD2 2.84Å; R449-D514 PolarHBondContact NH2-OD2 3.32Å; R449-R576 VanDerWaalsContact CZ-O 3.3Å; R449-R576 PolarHBondContact NH1-O 3.45Å; R449-R576 PolarHBondContact NH2-O 2.94Å; R449-E577 PolarHBondContact NH1-O 3.23Å; R449-E577 VanDerWaalsContact NH1-O 3.12Å |
| 450 | W | 97.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 37% | 0.367 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -7.2 | -178.8 | -52.2 | -79.7 | 0 | 0 | 0 | 114.2 | Q203 R446 Y447 V448 | Q203-W450 HydrophobicContact CB-CH2 4.43Å; Q203-W450 HydrophobicContact CB-CZ2 4.26Å; Q203-W450 HydrophobicContact CG-CD2 3.64Å; Q203-W450 HydrophobicContact CG-CE3 3.82Å; Q203-W450 HydrophobicContact CG-CG 4.16Å; Q203-W450 HydrophobicContact CG-CH2 4.39Å; Q203-W450 HydrophobicContact CG-CZ2 4.14Å; Q203-W450 HydrophobicContact CG-CZ3 4.19Å; Q203-W450 VanDerWaalsContact NE2-CD1 3.34Å; Q203-W450 VanDerWaalsContact NE2-CG 3.33Å; R446-W450 HydrophobicContact CG-CH2 4.2Å; R446-W450 HydrophobicContact CG-CZ3 4.13Å; R446-W450 WeakPolarHBondContact O-CZ3 3.43Å; Y447-W450 PolarHBondContact O-N 3.19Å; V448-W450 PolarHBondContact O-N 3.02Å; V448-W450 VanDerWaalsContact O-N 3.13Å |
| 451 | F | 98 | Very high | 95.7 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -131.5 | 143.1 | -177.6 | -68.9 | -88.9 | 0 | 0 | 0 | 110.7 | L207 Y447 V448 L461 L462 H465 | L207-F451 HydrophobicContact CD2-CD2 4.12Å; L207-F451 HydrophobicContact CD2-CE2 3.51Å; L207-F451 HydrophobicContact CD2-CZ 4.31Å; Y447-F451 HydrophobicContact CD2-CB 4.27Å; Y447-F451 HydrophobicContact CD2-CD2 4.37Å; Y447-F451 PolarHBondContact O-N 3.3Å; V448-F451 CarbonylContact C-O 3.59Å; V448-F451 WeakPolarHBondContact CA-O 3.45Å; V448-F451 PolarHBondContact O-N 2.92Å; F451-L461 HydrophobicContact CD1-CB 4.04Å; F451-L461 HydrophobicContact CE1-CB 4.29Å; F451-L462 HydrophobicContact CD1-CD2 3.74Å; F451-L462 HydrophobicContact CD1-CG 3.68Å; F451-L462 HydrophobicContact CD2-CD2 3.83Å; F451-L462 HydrophobicContact CE1-CD2 3.7Å; F451-L462 HydrophobicContact CE1-CG 3.95Å; F451-L462 HydrophobicContact CE2-CD2 3.82Å; F451-L462 HydrophobicContact CG-CD2 3.8Å; F451-L462 HydrophobicContact CG-CG 4Å; F451-L462 HydrophobicContact CZ-CD2 3.75Å; F451-L462 HydrophobicContact CZ-CG 4.49Å; F451-H465 HydrophobicContact CE1-CB 4.08Å; F451-H465 HydrophobicContact CZ-CB 4.08Å; F451-H465 AromaticContact CZ-CG 3.86Å |
| 452 | P | 97.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 33% | 0.325 | 18% | 0.181 | S | C | . | . | trans | -55.7 | 148 | -178.8 | -26.4 | 34.5 | 0 | 0 | 0 | 113.6 | H430 D454 L461 | H430-P452 PolarHBondContact CE1-O 2.85Å; H430-P452 PolarHBondContact NE2-O 3Å; P452-D454 VanDerWaalsContact C-N 3.29Å; P452-L461 HydrophobicContact CG-CD1 3.73Å | ||
| 453 | V | 93.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -70.2 | -28.4 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | P432 I433 V448 R455 | P432-V453 HydrophobicContact CG-CG1 4.29Å; P432-V453 WeakPolarHBondContact CG-O 3.39Å; I433-V453 HydrophobicContact CD1-CG1 3.85Å; I433-V453 HydrophobicContact CG1-CG1 4.06Å; V448-V453 HydrophobicContact CG1-CG2 3.46Å; V448-V453 VanDerWaalsContact CG1-CG2 3.46Å; V453-R455 PolarHBondContact O-N 2.85Å |
| 454 | D | 93.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -59.4 | 126.4 | 176.3 | 173.6 | 59.5 | 0 | 0 | 0 | 110.4 | P452 I456 S457 G458 | P452-D454 VanDerWaalsContact C-N 3.29Å; D454-I456 PolarHBondContact O-N 2.97Å; D454-I456 PolarHBondContact OD2-N 2.95Å; D454-S457 WeakPolarHBondContact OD2-CB 3.19Å; D454-S457 PolarHBondContact OD2-N 2.9Å; D454-S457 PolarHBondContact OD2-OG 2.69Å; D454-G458 WeakPolarHBondContact O-CA 3.4Å; D454-G458 PolarHBondContact O-N 2.91Å |
| 455 | R | 91.2 | Very high | 96.6 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | -166.7 | -77.7 | -169.4 | -55.9 | -83.4 | -8.4 | 113.4 | E293 C303 H430 V453 A459 | E293-R455 IonicContact OE1-CZ 2.75Å; E293-R455 VanDerWaalsContact OE1-CZ 3.31Å; E293-R455 IonicContact OE1-NE 2.82Å; E293-R455 PolarHBondContact OE1-NE 3.11Å; E293-R455 IonicContact OE1-NH2 3.51Å; E293-R455 PolarHBondContact OE1-NH2 3.05Å; C303-R455 HydrophobicContact CB-CB 3.82Å; C303-R455 WeakPolarHBondContact CB-O 3.09Å; H430-R455 PolarHBondContact CD2-O 3.07Å; V453-R455 PolarHBondContact O-N 2.85Å; R455-A459 VanDerWaalsContact O-CB 3.28Å; R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.2Å |
| 456 | I | 92.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.4 | -53.1 | -179.1 | -68.2 | -66.7 | 0 | 0 | 0 | 109.6 | L291 E293 D454 G458 A459 K460 | L291-I456 HydrophobicContact CB-CD1 4.34Å; L291-I456 HydrophobicContact CD1-CB 4.49Å; L291-I456 HydrophobicContact CD1-CD1 3.83Å; L291-I456 HydrophobicContact CD1-CG2 3.82Å; E293-I456 HydrophobicContact CG-CD1 3.61Å; E293-I456 HydrophobicContact CG-CG1 4.28Å; D454-I456 PolarHBondContact O-N 2.97Å; D454-I456 PolarHBondContact OD2-N 2.95Å; I456-G458 PolarHBondContact O-N 3.28Å; I456-A459 PolarHBondContact O-N 3.18Å; I456-K460 HydrophobicContact CG2-CD 4.37Å; I456-K460 WeakPolarHBondContact O-CG 3.4Å; I456-K460 PolarHBondContact O-N 2.85Å |
| 457 | S | 94.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 37 Ų | 37 | 38% | 0.378 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | -177.4 | -52 | 0 | 0 | 0 | 0 | 111.5 | D454 K460 L461 | D454-S457 WeakPolarHBondContact OD2-CB 3.19Å; D454-S457 PolarHBondContact OD2-N 2.9Å; D454-S457 PolarHBondContact OD2-OG 2.69Å; S457-K460 PolarHBondContact O-N 3.49Å; S457-L461 WeakPolarHBondContact O-CG 3.28Å; S457-L461 PolarHBondContact O-N 2.64Å |
| 458 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D454 I456 K460 L461 L462 | D454-G458 WeakPolarHBondContact O-CA 3.4Å; D454-G458 PolarHBondContact O-N 2.91Å; I456-G458 PolarHBondContact O-N 3.28Å; G458-K460 PolarHBondContact O-N 3.47Å; G458-L461 PolarHBondContact O-N 3.05Å; G458-L462 WeakPolarHBondContact O-CB 3.28Å; G458-L462 WeakPolarHBondContact O-CD1 3.15Å; G458-L462 WeakPolarHBondContact O-CG 3.44Å; G458-L462 PolarHBondContact O-N 2.83Å |
| 459 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L291 C303 T428 H430 R455 I456 L462 L463 | L291-A459 HydrophobicContact CD2-CB 3.84Å; C303-A459 HydrophobicContact CB-CB 4.19Å; T428-A459 HydrophobicContact CG2-CB 3.94Å; H430-A459 HydrophobicContact CB-CB 4.01Å; R455-A459 VanDerWaalsContact O-CB 3.28Å; R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.2Å; I456-A459 PolarHBondContact O-N 3.18Å; A459-L462 PolarHBondContact O-N 3.33Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.04Å; A459-L463 VanDerWaalsContact O-N 3.07Å |
| 460 | K | 96.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.7 | -68.5 | -178.2 | -174.7 | -178.2 | 0 | 111.6 | F281 L291 I456 S457 G458 L463 A464 | F281-K460 HydrophobicContact CB-CD 4.06Å; F281-K460 VanDerWaalsContact CB-CE 3.5Å; F281-K460 HydrophobicContact CB-CG 4.28Å; F281-K460 HydrophobicContact CD1-CG 4.43Å; F281-K460 HydrophobicContact CD2-CB 4.2Å; F281-K460 HydrophobicContact CD2-CD 4.03Å; F281-K460 HydrophobicContact CD2-CG 3.66Å; F281-K460 HydrophobicContact CE2-CB 4.21Å; F281-K460 HydrophobicContact CE2-CG 4.05Å; F281-K460 HydrophobicContact CG-CD 4.16Å; F281-K460 HydrophobicContact CG-CG 3.86Å; L291-K460 HydrophobicContact CD1-CD 4.45Å; L291-K460 HydrophobicContact CD1-CG 3.84Å; I456-K460 HydrophobicContact CG2-CD 4.37Å; I456-K460 WeakPolarHBondContact O-CG 3.4Å; I456-K460 PolarHBondContact O-N 2.85Å; S457-K460 PolarHBondContact O-N 3.49Å; G458-K460 PolarHBondContact O-N 3.47Å; K460-L463 PolarHBondContact O-N 3.47Å; K460-A464 PolarHBondContact O-N 2.82Å |
| 461 | L | 98.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 47% | 0.471 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.1 | -38.9 | -178.8 | -71 | 175.6 | 0 | 0 | 0 | 112.3 | F451 P452 S457 G458 A464 H465 | F451-L461 HydrophobicContact CD1-CB 4.04Å; F451-L461 HydrophobicContact CE1-CB 4.29Å; P452-L461 HydrophobicContact CG-CD1 3.73Å; S457-L461 WeakPolarHBondContact O-CG 3.28Å; S457-L461 PolarHBondContact O-N 2.64Å; G458-L461 PolarHBondContact O-N 3.05Å; L461-A464 PolarHBondContact O-N 3.38Å; L461-H465 WeakPolarHBondContact O-CB 3.34Å; L461-H465 PolarHBondContact O-N 2.82Å |
| 462 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.8 | -79.6 | 164.8 | 0 | 0 | 0 | 112.1 | L207 P208 V209 T428 H430 Y447 F451 G458 A459 A466 | L207-L462 HydrophobicContact CD2-CD2 4.19Å; P208-L462 HydrophobicContact CG-CD1 3.97Å; V209-L462 HydrophobicContact CG1-CB 3.92Å; V209-L462 HydrophobicContact CG1-CD2 4.08Å; T428-L462 HydrophobicContact CG2-CB 4.49Å; H430-L462 HydrophobicContact CB-CD1 4.03Å; H430-L462 VanDerWaalsContact ND1-CD1 3.27Å; H430-L462 WeakPolarHBondContact ND1-CD1 3.29Å; Y447-L462 HydrophobicContact CE2-CD1 4.08Å; F451-L462 HydrophobicContact CD1-CD2 3.74Å; F451-L462 HydrophobicContact CD1-CG 3.68Å; F451-L462 HydrophobicContact CD2-CD2 3.83Å; F451-L462 HydrophobicContact CE1-CD2 3.7Å; F451-L462 HydrophobicContact CE1-CG 3.95Å; F451-L462 HydrophobicContact CE2-CD2 3.82Å; F451-L462 HydrophobicContact CG-CD2 3.8Å; F451-L462 HydrophobicContact CG-CG 4Å; F451-L462 HydrophobicContact CZ-CD2 3.75Å; F451-L462 HydrophobicContact CZ-CG 4.49Å; G458-L462 WeakPolarHBondContact O-CB 3.28Å; G458-L462 WeakPolarHBondContact O-CD1 3.15Å; G458-L462 WeakPolarHBondContact O-CG 3.44Å; G458-L462 PolarHBondContact O-N 2.83Å; A459-L462 PolarHBondContact O-N 3.33Å; L462-A466 WeakPolarHBondContact O-CB 3.38Å; L462-A466 PolarHBondContact O-N 2.78Å |
| 463 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 177.9 | -73 | 168 | 0 | 0 | 0 | 112.3 | F281 L291 A307 A426 T428 A459 K460 A466 I467 | F281-L463 HydrophobicContact CE1-CD1 3.83Å; F281-L463 HydrophobicContact CZ-CB 4.24Å; F281-L463 HydrophobicContact CZ-CD1 3.53Å; L291-L463 HydrophobicContact CD2-CD1 4.23Å; A307-L463 HydrophobicContact CB-CB 4.26Å; A307-L463 HydrophobicContact CB-CD1 4.14Å; A307-L463 HydrophobicContact CB-CD2 4.35Å; A307-L463 HydrophobicContact CB-CG 4.5Å; A426-L463 HydrophobicContact CB-CD2 3.77Å; T428-L463 HydrophobicContact CG2-CD1 4.1Å; T428-L463 HydrophobicContact CG2-CD2 4.06Å; T428-L463 HydrophobicContact CG2-CG 3.75Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.04Å; A459-L463 VanDerWaalsContact O-N 3.07Å; K460-L463 PolarHBondContact O-N 3.47Å; L463-A466 PolarHBondContact O-N 2.95Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 2.74Å; L463-I467 VanDerWaalsContact O-N 3.08Å |
| 464 | A | 98.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T283 K460 L461 A466 I467 D468 | T283-A464 HydrophobicContact CG2-CB 4.25Å; K460-A464 PolarHBondContact O-N 2.82Å; L461-A464 PolarHBondContact O-N 3.38Å; A464-A466 VanDerWaalsContact C-N 3.3Å; A464-A466 PolarHBondContact O-N 2.62Å; A464-I467 PolarHBondContact O-N 3.01Å; A464-D468 VanDerWaalsContact O-CG 3.31Å; A464-D468 PolarHBondContact O-N 3.04Å |
| 465 | H | 98.5 | Very high | 97.5 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.5 | -42.2 | 177.5 | -175.9 | 82.1 | 0 | 0 | 0 | 112.3 | F451 L461 D468 N469 W473 | F451-H465 HydrophobicContact CE1-CB 4.08Å; F451-H465 HydrophobicContact CZ-CB 4.08Å; F451-H465 AromaticContact CZ-CG 3.86Å; L461-H465 WeakPolarHBondContact O-CB 3.34Å; L461-H465 PolarHBondContact O-N 2.82Å; H465-D468 PolarHBondContact O-N 3.33Å; H465-N469 PolarHBondContact CE1-ND2 2.92Å; H465-N469 PolarHBondContact ND1-ND2 3.05Å; H465-N469 WeakPolarHBondContact O-CB 3.41Å; H465-N469 PolarHBondContact O-N 3.19Å; H465-N469 VanDerWaalsContact O-N 3.1Å; H465-N469 PolarHBondContact O-ND2 3.25Å; H465-W473 AromaticContact CD2-CZ2 3.86Å; H465-W473 AromaticContact NE2-CZ2 3.96Å |
| 466 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V209 V211 A426 L462 L463 A464 D468 N469 W470 W473 | V209-A466 HydrophobicContact CB-CB 4.19Å; V209-A466 HydrophobicContact CG1-CB 4.49Å; V209-A466 HydrophobicContact CG2-CB 4.14Å; V211-A466 HydrophobicContact CG2-CB 4.04Å; A426-A466 HydrophobicContact CB-CB 4.14Å; L462-A466 WeakPolarHBondContact O-CB 3.38Å; L462-A466 PolarHBondContact O-N 2.78Å; L463-A466 PolarHBondContact O-N 2.95Å; A464-A466 VanDerWaalsContact C-N 3.3Å; A464-A466 PolarHBondContact O-N 2.62Å; A466-D468 VanDerWaalsContact C-N 3.29Å; A466-D468 PolarHBondContact O-N 3.48Å; A466-N469 PolarHBondContact O-N 3.2Å; A466-W470 WeakPolarHBondContact O-CB 3.45Å; A466-W470 PolarHBondContact O-N 3.29Å; A466-W470 VanDerWaalsContact O-N 3.11Å; A466-W473 VanDerWaalsContact CA-CH2 3.46Å; A466-W473 HydrophobicContact CB-CH2 3.78Å; A466-W473 HydrophobicContact CB-CZ3 4.14Å |
| 467 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 177.8 | -68.1 | -66.2 | 0 | 0 | 0 | 111.9 | V287 K309 E424 A426 L463 A464 | V287-I467 HydrophobicContact CG1-CG1 4.26Å; V287-I467 HydrophobicContact CG2-CB 4.01Å; V287-I467 HydrophobicContact CG2-CG1 4.31Å; V287-I467 HydrophobicContact CG2-CG2 3.81Å; K309-I467 HydrophobicContact CB-CG2 3.89Å; K309-I467 HydrophobicContact CD-CG2 3.65Å; K309-I467 HydrophobicContact CG-CG2 3.93Å; E424-I467 HydrophobicContact CB-CD1 4.2Å; A426-I467 HydrophobicContact CB-CD1 3.7Å; A426-I467 HydrophobicContact CB-CG1 3.83Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 2.74Å; L463-I467 VanDerWaalsContact O-N 3.08Å; A464-I467 PolarHBondContact O-N 3.01Å |
| 468 | D | 97.6 | Very high | 98.4 | Very high | 85 Ų | 85 | 39.7 Ų | 39.7 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -80 | -26 | -177.2 | -67.8 | -24.1 | 0 | 0 | 0 | 113.3 | A464 H465 A466 | A464-D468 VanDerWaalsContact O-CG 3.31Å; A464-D468 PolarHBondContact O-N 3.04Å; H465-D468 PolarHBondContact O-N 3.33Å; A466-D468 VanDerWaalsContact C-N 3.29Å; A466-D468 PolarHBondContact O-N 3.48Å |
| 469 | N | 98.4 | Very high | 98.5 | Very high | 37 Ų | 37 | 44 Ų | 44 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -114.6 | -12.5 | -168.8 | -65.8 | -84.1 | 0 | 0 | 0 | 115.3 | H465 A466 R471 Q472 W473 | H465-N469 PolarHBondContact CE1-ND2 2.92Å; H465-N469 PolarHBondContact ND1-ND2 3.05Å; H465-N469 WeakPolarHBondContact O-CB 3.41Å; H465-N469 PolarHBondContact O-N 3.19Å; H465-N469 VanDerWaalsContact O-N 3.1Å; H465-N469 PolarHBondContact O-ND2 3.25Å; A466-N469 PolarHBondContact O-N 3.2Å; N469-R471 PolarHBondContact O-N 2.96Å; N469-R471 VanDerWaalsContact O-N 3.1Å; N469-Q472 WeakPolarHBondContact O-CB 3.43Å; N469-Q472 PolarHBondContact O-N 2.78Å; N469-W473 HydrophobicContact CB-CZ2 3.95Å; N469-W473 PolarHBondContact O-N 3.38Å; N469-W473 VanDerWaalsContact O-N 3.13Å |
| 470 | W | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.3 | -30.3 | -171.8 | 73.8 | -91.9 | 0 | 0 | 0 | 115.1 | I194 V211 Y213 E424 A466 Q472 W473 V474 | I194-W470 HydrophobicContact CD1-CE3 4.13Å; I194-W470 HydrophobicContact CD1-CZ3 4.38Å; V211-W470 HydrophobicContact CB-CB 4.11Å; V211-W470 HydrophobicContact CB-CG 4.3Å; V211-W470 HydrophobicContact CG1-CB 4.17Å; V211-W470 HydrophobicContact CG1-CD2 4.02Å; V211-W470 HydrophobicContact CG1-CG 3.81Å; V211-W470 HydrophobicContact CG2-CB 3.7Å; V211-W470 HydrophobicContact CG2-CG 4.12Å; Y213-W470 AromaticContact CD1-CH2 3.44Å; Y213-W470 HydrophobicContact CD1-CH2 3.44Å; Y213-W470 VanDerWaalsContact CD1-CH2 3.44Å; Y213-W470 HydrophobicContact CD1-CZ2 4.37Å; Y213-W470 AromaticContact CD1-CZ3 3.9Å; Y213-W470 HydrophobicContact CD1-CZ3 3.9Å; Y213-W470 AromaticContact CD2-CH2 3.46Å; Y213-W470 HydrophobicContact CD2-CH2 3.46Å; Y213-W470 VanDerWaalsContact CD2-CH2 3.46Å; Y213-W470 AromaticContact CD2-CZ2 3.56Å; Y213-W470 HydrophobicContact CD2-CZ2 3.56Å; Y213-W470 AromaticContact CE1-CH2 3.7Å; Y213-W470 HydrophobicContact CE1-CH2 3.7Å; Y213-W470 HydrophobicContact CE1-CZ3 4.38Å; Y213-W470 AromaticContact CE2-CH2 3.73Å; Y213-W470 HydrophobicContact CE2-CH2 3.73Å; Y213-W470 AromaticContact CE2-CZ2 3.9Å; Y213-W470 HydrophobicContact CE2-CZ2 3.9Å; Y213-W470 AromaticContact CG-CH2 3.26Å; Y213-W470 HydrophobicContact CG-CH2 3.26Å; Y213-W470 AromaticContact CG-CZ2 3.78Å; Y213-W470 HydrophobicContact CG-CZ2 3.78Å; Y213-W470 AromaticContact CG-CZ3 3.93Å; Y213-W470 HydrophobicContact CG-CZ3 3.93Å; Y213-W470 AromaticContact CZ-CH2 3.8Å; E424-W470 HydrophobicContact CG-CZ2 4.12Å; E424-W470 PolarHBondContact OE2-NE1 2.94Å; E424-W470 VanDerWaalsContact OE2-NE1 3.08Å; A466-W470 WeakPolarHBondContact O-CB 3.45Å; A466-W470 PolarHBondContact O-N 3.29Å; A466-W470 VanDerWaalsContact O-N 3.11Å; W470-Q472 VanDerWaalsContact C-N 3.32Å; W470-Q472 PolarHBondContact O-N 3.26Å; W470-W473 HydrophobicContact CB-CD2 4.42Å; W470-W473 HydrophobicContact CB-CE3 3.83Å; W470-W473 HydrophobicContact CB-CZ3 4.22Å; W470-W473 WeakPolarHBondContact O-CB 3.4Å; W470-W473 PolarHBondContact O-N 3Å; W470-V474 HydrophobicContact CE3-CG2 3.79Å; W470-V474 HydrophobicContact CZ3-CG2 4Å; W470-V474 WeakPolarHBondContact O-CG2 3Å; W470-V474 PolarHBondContact O-N 3.47Å |
| 471 | R | 98.5 | Very high | 98.6 | Very high | 113 Ų | 113 | 43.2 Ų | 43.2 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.1 | -64.4 | -173.7 | -178.6 | -83.6 | 5 | 111.5 | Y213 E422 E424 N469 W473 V474 Q475 | Y213-R471 PolarHBondContact OH-NH1 2.93Å; E422-R471 IonicContact OE2-NH2 2.72Å; E424-R471 IonicContact OE1-CZ 3.15Å; E424-R471 IonicContact OE1-NE 3.99Å; E424-R471 IonicContact OE1-NH2 2.71Å; E424-R471 PolarHBondContact OE1-NH2 2.82Å; N469-R471 PolarHBondContact O-N 2.96Å; N469-R471 VanDerWaalsContact O-N 3.1Å; R471-W473 VanDerWaalsContact C-N 3.34Å; R471-V474 PolarHBondContact O-N 3.05Å; R471-Q475 PolarHBondContact O-N 2.84Å |
| 472 | Q | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 173.3 | -59.5 | 178.8 | 33.9 | 0 | 0 | 111.1 | N469 W470 Q475 K476 | N469-Q472 WeakPolarHBondContact O-CB 3.43Å; N469-Q472 PolarHBondContact O-N 2.78Å; W470-Q472 VanDerWaalsContact C-N 3.32Å; W470-Q472 PolarHBondContact O-N 3.26Å; Q472-Q475 PolarHBondContact O-N 3.36Å; Q472-K476 WeakPolarHBondContact O-CG 3.18Å; Q472-K476 PolarHBondContact O-N 2.79Å |
| 473 | W | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.5 | -53.8 | -18.8 | 0 | 0 | 0 | 111.4 | P196 I198 T204 L207 V209 V211 H465 A466 N469 W470 R471 Q475 K476 I477 | P196-W473 HydrophobicContact CB-CD2 4.02Å; P196-W473 HydrophobicContact CB-CE3 3.8Å; P196-W473 HydrophobicContact CB-CH2 4.07Å; P196-W473 HydrophobicContact CB-CZ2 4.31Å; P196-W473 HydrophobicContact CB-CZ3 3.84Å; P196-W473 HydrophobicContact CG-CZ3 4.48Å; I198-W473 HydrophobicContact CD1-CB 3.97Å; I198-W473 HydrophobicContact CD1-CG 4.17Å; T204-W473 HydrophobicContact CG2-CD2 4.31Å; T204-W473 HydrophobicContact CG2-CG 4.28Å; T204-W473 HydrophobicContact CG2-CZ2 4.32Å; L207-W473 HydrophobicContact CD1-CH2 4.5Å; L207-W473 HydrophobicContact CD1-CZ2 4.19Å; V209-W473 HydrophobicContact CG2-CH2 3.79Å; V209-W473 HydrophobicContact CG2-CZ3 4.12Å; V211-W473 HydrophobicContact CG2-CZ3 4.32Å; H465-W473 AromaticContact CD2-CZ2 3.86Å; H465-W473 AromaticContact NE2-CZ2 3.96Å; A466-W473 VanDerWaalsContact CA-CH2 3.46Å; A466-W473 HydrophobicContact CB-CH2 3.78Å; A466-W473 HydrophobicContact CB-CZ3 4.14Å; N469-W473 HydrophobicContact CB-CZ2 3.95Å; N469-W473 PolarHBondContact O-N 3.38Å; N469-W473 VanDerWaalsContact O-N 3.13Å; W470-W473 HydrophobicContact CB-CD2 4.42Å; W470-W473 HydrophobicContact CB-CE3 3.83Å; W470-W473 HydrophobicContact CB-CZ3 4.22Å; W470-W473 WeakPolarHBondContact O-CB 3.4Å; W470-W473 PolarHBondContact O-N 3Å; R471-W473 VanDerWaalsContact C-N 3.34Å; W473-Q475 VanDerWaalsContact C-N 3.34Å; W473-Q475 PolarHBondContact O-N 3.13Å; W473-K476 PolarHBondContact O-N 2.95Å; W473-I477 WeakPolarHBondContact O-CB 3.48Å; W473-I477 WeakPolarHBondContact O-CD1 3.5Å; W473-I477 WeakPolarHBondContact O-CG1 3.48Å; W473-I477 PolarHBondContact O-N 3.4Å |
| 474 | V | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 176 | 170 | 0 | 0 | 0 | 0 | 110.9 | I194 W470 R471 K476 I477 E478 | I194-V474 HydrophobicContact CG1-CG2 3.77Å; I194-V474 HydrophobicContact CG2-CG2 3.95Å; W470-V474 HydrophobicContact CE3-CG2 3.79Å; W470-V474 HydrophobicContact CZ3-CG2 4Å; W470-V474 WeakPolarHBondContact O-CG2 3Å; W470-V474 PolarHBondContact O-N 3.47Å; R471-V474 PolarHBondContact O-N 3.05Å; V474-K476 PolarHBondContact O-N 3.4Å; V474-I477 PolarHBondContact O-N 3.34Å; V474-E478 HydrophobicContact CG1-CG 4.39Å; V474-E478 WeakPolarHBondContact O-CB 3.32Å; V474-E478 WeakPolarHBondContact O-CG 3.39Å; V474-E478 PolarHBondContact O-N 3.4Å |
| 475 | Q | 98.7 | Very high | 98.4 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.9 | -173.8 | 62.3 | 56.5 | 0 | 0 | 111.5 | R471 Q472 W473 I477 E478 D479 | R471-Q475 PolarHBondContact O-N 2.84Å; Q472-Q475 PolarHBondContact O-N 3.36Å; W473-Q475 VanDerWaalsContact C-N 3.34Å; W473-Q475 PolarHBondContact O-N 3.13Å; Q475-I477 VanDerWaalsContact C-N 3.31Å; Q475-I477 PolarHBondContact O-N 3.26Å; Q475-E478 PolarHBondContact O-N 2.93Å; Q475-E478 VanDerWaalsContact O-N 3.11Å; Q475-D479 PolarHBondContact NE2-OD1 3.37Å; Q475-D479 WeakPolarHBondContact O-CB 3.42Å; Q475-D479 PolarHBondContact O-N 2.98Å |
| 476 | K | 98.9 | Very high | 98.3 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -38.8 | 178 | -73 | 175.9 | 169.9 | -177.1 | 0 | 112.7 | I198 D201 Q472 W473 V474 W480 | I198-K476 HydrophobicContact CD1-CB 4.14Å; I198-K476 HydrophobicContact CD1-CD 3.92Å; I198-K476 HydrophobicContact CG2-CB 3.9Å; I198-K476 HydrophobicContact CG2-CD 4.23Å; D201-K476 IonicContact OD2-NZ 2.85Å; D201-K476 PolarHBondContact OD2-NZ 2.75Å; Q472-K476 WeakPolarHBondContact O-CG 3.18Å; Q472-K476 PolarHBondContact O-N 2.79Å; W473-K476 PolarHBondContact O-N 2.95Å; V474-K476 PolarHBondContact O-N 3.4Å; K476-W480 WeakPolarHBondContact O-CB 3.42Å; K476-W480 PolarHBondContact O-N 3.35Å; K476-W480 VanDerWaalsContact O-N 3.08Å |
| 477 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.7 | -69.3 | 159.5 | 0 | 0 | 0 | 110.2 | P174 R175 I194 I198 W473 V474 Q475 W480 Q481 | P174-I477 HydrophobicContact CG-CD1 3.74Å; P174-I477 HydrophobicContact CG-CG1 4.07Å; P174-I477 HydrophobicContact CG-CG2 4.25Å; R175-I477 HydrophobicContact CG-CD1 4.4Å; I194-I477 HydrophobicContact CG2-CD1 4.27Å; I198-I477 HydrophobicContact CG1-CG1 4.11Å; W473-I477 WeakPolarHBondContact O-CB 3.48Å; W473-I477 WeakPolarHBondContact O-CD1 3.5Å; W473-I477 WeakPolarHBondContact O-CG1 3.48Å; W473-I477 PolarHBondContact O-N 3.4Å; V474-I477 PolarHBondContact O-N 3.34Å; Q475-I477 VanDerWaalsContact C-N 3.31Å; Q475-I477 PolarHBondContact O-N 3.26Å; I477-W480 PolarHBondContact O-N 3.11Å; I477-Q481 HydrophobicContact CG2-CG 4.3Å; I477-Q481 WeakPolarHBondContact O-CB 3.46Å; I477-Q481 VanDerWaalsContact O-CG 3.24Å; I477-Q481 WeakPolarHBondContact O-CG 3.42Å; I477-Q481 PolarHBondContact O-N 3.35Å |
| 478 | E | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 178.4 | -74.3 | 177.5 | 177.2 | 0 | 0 | 111.9 | R175 V474 Q475 W480 Q481 N482 | R175-E478 IonicContact CZ-OE1 3.05Å; R175-E478 IonicContact NH1-OE1 3.82Å; R175-E478 PolarHBondContact NH1-OE1 3.49Å; R175-E478 IonicContact NH2-OE1 2.61Å; V474-E478 HydrophobicContact CG1-CG 4.39Å; V474-E478 WeakPolarHBondContact O-CB 3.32Å; V474-E478 WeakPolarHBondContact O-CG 3.39Å; V474-E478 PolarHBondContact O-N 3.4Å; Q475-E478 PolarHBondContact O-N 2.93Å; Q475-E478 VanDerWaalsContact O-N 3.11Å; E478-W480 PolarHBondContact O-N 2.89Å; E478-Q481 PolarHBondContact O-N 3.48Å; E478-Q481 VanDerWaalsContact O-N 3.16Å; E478-N482 WeakPolarHBondContact O-CB 3.36Å; E478-N482 PolarHBondContact O-N 2.95Å; E478-N482 PolarHBondContact O-ND2 3.23Å; E478-N482 VanDerWaalsContact O-ND2 3.12Å |
| 479 | D | 98.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 175 | -65.3 | -21.5 | 0 | 0 | 0 | 111.6 | Q475 P483 | Q475-D479 PolarHBondContact NE2-OD1 3.37Å; Q475-D479 WeakPolarHBondContact O-CB 3.42Å; Q475-D479 PolarHBondContact O-N 2.98Å; D479-P483 WeakPolarHBondContact O-CD 3.3Å |
| 480 | W | 98.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 174.1 | 166.8 | 46.2 | 0 | 0 | 0 | 113 | P199 K476 I477 E478 F499 L502 L608 W961 | P199-W480 HydrophobicContact CG-CD2 3.43Å; P199-W480 VanDerWaalsContact CG-CD2 3.43Å; P199-W480 HydrophobicContact CG-CE3 3.86Å; P199-W480 HydrophobicContact CG-CG 3.81Å; P199-W480 HydrophobicContact CG-CH2 4.07Å; P199-W480 HydrophobicContact CG-CZ2 3.68Å; P199-W480 HydrophobicContact CG-CZ3 4.15Å; K476-W480 WeakPolarHBondContact O-CB 3.42Å; K476-W480 PolarHBondContact O-N 3.35Å; K476-W480 VanDerWaalsContact O-N 3.08Å; I477-W480 PolarHBondContact O-N 3.11Å; E478-W480 PolarHBondContact O-N 2.89Å; W480-F499 HydrophobicContact CD2-CE1 4.34Å; W480-F499 AromaticContact CE2-CE1 3.81Å; W480-F499 AromaticContact CH2-CD1 3.88Å; W480-F499 HydrophobicContact CH2-CD1 3.88Å; W480-F499 HydrophobicContact CH2-CE1 4.22Å; W480-F499 AromaticContact CZ2-CD1 3.81Å; W480-F499 HydrophobicContact CZ2-CD1 3.81Å; W480-F499 AromaticContact CZ2-CE1 3.76Å; W480-F499 HydrophobicContact CZ2-CE1 3.76Å; W480-F499 HydrophobicContact CZ3-CD1 4.42Å; W480-L502 HydrophobicContact CH2-CD1 3.5Å; W480-L502 VanDerWaalsContact CH2-CD1 3.5Å; W480-L502 HydrophobicContact CZ2-CD1 3.74Å; W480-L608 HydrophobicContact CZ2-CD1 3.9Å; W480-L608 HydrophobicContact CZ2-CD2 3.9Å; W480-W961 HydrophobicContact CZ2-CH2 4.06Å; W480-W961 HydrophobicContact CZ2-CZ2 4.03Å |
| 481 | Q | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -82.1 | -37.7 | -172.8 | -69.3 | -177.5 | -33.4 | 0 | 0 | 113.3 | Y173 I477 E478 P483 I484 L485 F499 | Y173-Q481 PolarHBondContact O-NE2 3.43Å; I477-Q481 HydrophobicContact CG2-CG 4.3Å; I477-Q481 WeakPolarHBondContact O-CB 3.46Å; I477-Q481 VanDerWaalsContact O-CG 3.24Å; I477-Q481 WeakPolarHBondContact O-CG 3.42Å; I477-Q481 PolarHBondContact O-N 3.35Å; E478-Q481 PolarHBondContact O-N 3.48Å; E478-Q481 VanDerWaalsContact O-N 3.16Å; Q481-P483 VanDerWaalsContact C-CD 3.47Å; Q481-I484 PolarHBondContact O-N 2.94Å; Q481-L485 HydrophobicContact CB-CD1 3.81Å; Q481-L485 HydrophobicContact CB-CG 4.19Å; Q481-L485 WeakPolarHBondContact O-CG 3.49Å; Q481-L485 PolarHBondContact O-N 3.36Å; Q481-F499 HydrophobicContact CB-CE1 4.36Å; Q481-F499 HydrophobicContact CB-CE2 4.09Å; Q481-F499 HydrophobicContact CB-CZ 3.88Å; Q481-F499 HydrophobicContact CG-CD1 4Å; Q481-F499 HydrophobicContact CG-CD2 4.3Å; Q481-F499 HydrophobicContact CG-CE1 3.69Å; Q481-F499 HydrophobicContact CG-CE2 4.02Å; Q481-F499 HydrophobicContact CG-CG 4.3Å; Q481-F499 HydrophobicContact CG-CZ 3.71Å |
| 482 | N | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 59.6 Ų | 59.6 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -37.7 | -169.3 | -76.9 | -23.2 | 0 | 0 | 0 | 114.9 | E478 I484 L485 S486 | E478-N482 WeakPolarHBondContact O-CB 3.36Å; E478-N482 PolarHBondContact O-N 2.95Å; E478-N482 PolarHBondContact O-ND2 3.23Å; E478-N482 VanDerWaalsContact O-ND2 3.12Å; N482-I484 PolarHBondContact O-N 2.58Å; N482-L485 PolarHBondContact O-N 2.71Å; N482-S486 WeakPolarHBondContact O-CB 3.18Å; N482-S486 PolarHBondContact O-N 3.16Å; N482-S486 PolarHBondContact O-OG 3.31Å |
| 483 | P | 97.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.7 | -34.9 | 174.9 | -27.7 | 36.3 | 0 | 0 | 0 | 113 | D479 Q481 | D479-P483 WeakPolarHBondContact O-CD 3.3Å; Q481-P483 VanDerWaalsContact C-CD 3.47Å |
| 484 | I | 97.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -84.5 | -45.9 | 178.1 | -63.5 | 174.1 | 0 | 0 | 0 | 110.7 | Q481 N482 S486 N487 L490 K495 L498 F499 | Q481-I484 PolarHBondContact O-N 2.94Å; N482-I484 PolarHBondContact O-N 2.58Å; I484-S486 VanDerWaalsContact C-N 3.31Å; I484-S486 PolarHBondContact O-N 3.47Å; I484-N487 PolarHBondContact O-N 3.08Å; I484-L490 HydrophobicContact CG2-CD1 3.89Å; I484-K495 WeakPolarHBondContact O-CE 3.4Å; I484-L498 HydrophobicContact CD1-CD2 3.66Å; I484-L498 HydrophobicContact CG2-CD2 4.09Å; I484-F499 HydrophobicContact CB-CE2 4.36Å; I484-F499 HydrophobicContact CB-CZ 4.11Å; I484-F499 HydrophobicContact CD1-CZ 3.94Å; I484-F499 HydrophobicContact CG2-CE2 4.23Å; I484-F499 HydrophobicContact CG2-CZ 4.32Å |
| 485 | L | 98 | Very high | 97.4 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -35.6 | -177.3 | -63.4 | -178.9 | 0 | 0 | 0 | 112.5 | Y21 L172 Q481 N482 K495 F499 | Y21-L485 HydrophobicContact CD2-CB 4.04Å; Y21-L485 HydrophobicContact CD2-CD2 3.94Å; Y21-L485 HydrophobicContact CD2-CG 4.44Å; Y21-L485 HydrophobicContact CE2-CB 4.22Å; Y21-L485 WeakPolarHBondContact CE2-O 3.37Å; Y21-L485 HydrophobicContact CG-CD2 4.29Å; Y21-L485 PolarHBondContact OH-O 2.8Å; L172-L485 HydrophobicContact CD2-CD1 3.89Å; L172-L485 HydrophobicContact CD2-CD2 4.46Å; Q481-L485 HydrophobicContact CB-CD1 3.81Å; Q481-L485 HydrophobicContact CB-CG 4.19Å; Q481-L485 WeakPolarHBondContact O-CG 3.49Å; Q481-L485 PolarHBondContact O-N 3.36Å; N482-L485 PolarHBondContact O-N 2.71Å; L485-K495 HydrophobicContact CD2-CB 3.89Å; L485-K495 HydrophobicContact CD2-CG 4.5Å; L485-K495 WeakPolarHBondContact O-CE 3.16Å; L485-K495 PolarHBondContact O-NZ 3Å; L485-F499 HydrophobicContact CD2-CD2 4.18Å; L485-F499 HydrophobicContact CD2-CE2 3.79Å; L485-F499 HydrophobicContact CG-CE2 4.11Å |
| 486 | S | 96.8 | Very high | 97.3 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15.5 | 179.7 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | N482 I484 Q488 | N482-S486 WeakPolarHBondContact O-CB 3.18Å; N482-S486 PolarHBondContact O-N 3.16Å; N482-S486 PolarHBondContact O-OG 3.31Å; I484-S486 VanDerWaalsContact C-N 3.31Å; I484-S486 PolarHBondContact O-N 3.47Å; S486-Q488 PolarHBondContact O-N 2.72Å; S486-Q488 VanDerWaalsContact O-N 3.13Å |
| 487 | N | 95.7 | Very high | 97.3 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | trans | -69.2 | 111 | -178.2 | -173.5 | -12 | 0 | 0 | 0 | 111.5 | I484 S489 L490 K495 | I484-N487 PolarHBondContact O-N 3.08Å; N487-S489 VanDerWaalsContact C-N 3.28Å; N487-S489 PolarHBondContact O-N 2.76Å; N487-S489 PolarHBondContact OD1-N 3.41Å; N487-S489 PolarHBondContact OD1-OG 3.39Å; N487-L490 HydrophobicContact CB-CD1 4.04Å; N487-L490 HydrophobicContact CB-CG 4.18Å; N487-L490 PolarHBondContact O-N 3.19Å; N487-K495 WeakPolarHBondContact O-CE 3.46Å; N487-K495 PolarHBondContact O-NZ 3.14Å | ||
| 488 | Q | 95 | Very high | 97.3 | Very high | 189 Ų | 189 | 46.3 Ų | 46.3 | 88% | 0.883 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.9 | -176.7 | -64.8 | -176.8 | -2.9 | 0 | 0 | 113.9 | S486 L490 | S486-Q488 PolarHBondContact O-N 2.72Å; S486-Q488 VanDerWaalsContact O-N 3.13Å; Q488-L490 VanDerWaalsContact C-N 3.26Å; Q488-L490 PolarHBondContact O-N 2.98Å |
| 489 | S | 92.2 | Very high | 97.4 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.7 | 177.1 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | N487 | N487-S489 VanDerWaalsContact C-N 3.28Å; N487-S489 PolarHBondContact O-N 2.76Å; N487-S489 PolarHBondContact OD1-N 3.41Å; N487-S489 PolarHBondContact OD1-OG 3.39Å |
| 490 | L | 96.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -92.3 | 134.9 | -179.6 | -62.5 | -179.5 | 0 | 0 | 0 | 111.5 | I484 N487 Q488 Y494 K495 L967 | I484-L490 HydrophobicContact CG2-CD1 3.89Å; N487-L490 HydrophobicContact CB-CD1 4.04Å; N487-L490 HydrophobicContact CB-CG 4.18Å; N487-L490 PolarHBondContact O-N 3.19Å; Q488-L490 VanDerWaalsContact C-N 3.26Å; Q488-L490 PolarHBondContact O-N 2.98Å; L490-Y494 HydrophobicContact CB-CD1 4.36Å; L490-Y494 HydrophobicContact CD1-CD1 4.23Å; L490-Y494 HydrophobicContact CD1-CE1 4.11Å; L490-Y494 HydrophobicContact CD2-CD1 4.29Å; L490-Y494 HydrophobicContact CD2-CE1 4.33Å; L490-K495 HydrophobicContact CB-CG 4.33Å; L490-K495 VanDerWaalsContact O-CE 3.27Å; L490-K495 WeakPolarHBondContact O-CE 3.19Å; L490-L967 HydrophobicContact CD2-CD1 3.79Å; L490-L967 HydrophobicContact CD2-CD2 4.38Å |
| 491 | P | 97.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 37 Ų | 37 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | trans | -70.2 | 150.1 | 179.5 | 28.9 | -33.9 | 0 | 0 | 0 | 112.1 | W493 Y494 K495 L919 | P491-W493 VanDerWaalsContact C-N 3.32Å; P491-W493 PolarHBondContact O-N 3.15Å; P491-Y494 WeakPolarHBondContact O-CB 3.36Å; P491-Y494 PolarHBondContact O-N 2.99Å; P491-Y494 VanDerWaalsContact O-N 3.14Å; P491-K495 PolarHBondContact O-N 3.27Å; P491-L919 HydrophobicContact CG-CD1 4.28Å; P491-L919 HydrophobicContact CG-CD2 4.36Å | ||
| 492 | S | 96.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 37 Ų | 37 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.1 | -36.5 | -175.2 | -54.3 | 0 | 0 | 0 | 0 | 114 | Y494 S496 | S492-Y494 VanDerWaalsContact C-N 3.31Å; S492-Y494 PolarHBondContact O-N 2.97Å; S492-S496 PolarHBondContact O-N 2.99Å; S492-S496 PolarHBondContact O-OG 2.94Å |
| 493 | W | 97.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 177.8 | 75.8 | -100.2 | 0 | 0 | 0 | 110.4 | P491 S496 A497 L919 G922 E923 Y926 | P491-W493 VanDerWaalsContact C-N 3.32Å; P491-W493 PolarHBondContact O-N 3.15Å; W493-S496 PolarHBondContact O-N 3.19Å; W493-A497 HydrophobicContact CE3-CB 3.96Å; W493-A497 HydrophobicContact CZ3-CB 4.06Å; W493-A497 WeakPolarHBondContact O-CB 3.43Å; W493-A497 PolarHBondContact O-N 2.7Å; W493-L919 HydrophobicContact CZ2-CB 4.43Å; W493-L919 HydrophobicContact CZ2-CD2 4.2Å; W493-L919 WeakPolarHBondContact CZ2-O 3.23Å; W493-G922 VanDerWaalsContact CH2-C 3.43Å; W493-E923 HydrophobicContact CB-CG 4.35Å; W493-E923 HydrophobicContact CD2-CB 3.8Å; W493-E923 HydrophobicContact CD2-CG 3.93Å; W493-E923 HydrophobicContact CE3-CB 4.41Å; W493-E923 HydrophobicContact CG-CB 4.1Å; W493-E923 HydrophobicContact CG-CG 3.71Å; W493-E923 HydrophobicContact CZ2-CB 3.99Å; W493-Y926 HydrophobicContact CB-CD1 4.43Å; W493-Y926 HydrophobicContact CE3-CD1 4.12Å; W493-Y926 HydrophobicContact CE3-CG 4.17Å |
| 494 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | -174.7 | 175 | -108 | 0 | 0 | 0 | 111.4 | L490 P491 S492 S496 A497 L498 I963 Q964 L967 | L490-Y494 HydrophobicContact CB-CD1 4.36Å; L490-Y494 HydrophobicContact CD1-CD1 4.23Å; L490-Y494 HydrophobicContact CD1-CE1 4.11Å; L490-Y494 HydrophobicContact CD2-CD1 4.29Å; L490-Y494 HydrophobicContact CD2-CE1 4.33Å; P491-Y494 WeakPolarHBondContact O-CB 3.36Å; P491-Y494 PolarHBondContact O-N 2.99Å; P491-Y494 VanDerWaalsContact O-N 3.14Å; S492-Y494 VanDerWaalsContact C-N 3.31Å; S492-Y494 PolarHBondContact O-N 2.97Å; Y494-S496 PolarHBondContact O-N 3.18Å; Y494-A497 PolarHBondContact O-N 2.7Å; Y494-L498 HydrophobicContact CE1-CD2 4.27Å; Y494-L498 HydrophobicContact CE2-CB 4.33Å; Y494-L498 HydrophobicContact CE2-CD1 4.39Å; Y494-L498 WeakPolarHBondContact O-CB 3.38Å; Y494-L498 PolarHBondContact O-N 2.86Å; Y494-I963 HydrophobicContact CD2-CG2 4.18Å; Y494-I963 HydrophobicContact CE2-CB 3.96Å; Y494-I963 HydrophobicContact CE2-CG2 3.44Å; Y494-I963 VanDerWaalsContact CE2-CG2 3.44Å; Y494-Q964 WeakPolarHBondContact OH-CA 3.45Å; Y494-Q964 VanDerWaalsContact OH-CB 3.24Å; Y494-Q964 WeakPolarHBondContact OH-CB 3.24Å; Y494-Q964 PolarHBondContact OH-N 3.48Å; Y494-Q964 VanDerWaalsContact OH-N 3.12Å; Y494-Q964 PolarHBondContact OH-OE1 3.21Å; Y494-L967 HydrophobicContact CD1-CD1 4.4Å; Y494-L967 HydrophobicContact CE1-CD1 3.65Å; Y494-L967 HydrophobicContact CE2-CD1 4.48Å |
| 495 | K | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.2 | -37.3 | 175.3 | -70.5 | 177.2 | -179.6 | -175.2 | 0 | 112.5 | Y21 I484 L485 N487 L490 P491 F499 | Y21-K495 HydrophobicContact CD1-CB 4.24Å; Y21-K495 HydrophobicContact CD1-CD 3.91Å; Y21-K495 HydrophobicContact CD2-CD 4.24Å; Y21-K495 HydrophobicContact CE1-CD 3.55Å; Y21-K495 HydrophobicContact CE2-CD 3.93Å; Y21-K495 HydrophobicContact CG-CB 4.28Å; Y21-K495 HydrophobicContact CG-CD 4.23Å; Y21-K495 PolarHBondContact OH-NZ 3.49Å; I484-K495 WeakPolarHBondContact O-CE 3.4Å; L485-K495 HydrophobicContact CD2-CB 3.89Å; L485-K495 HydrophobicContact CD2-CG 4.5Å; L485-K495 WeakPolarHBondContact O-CE 3.16Å; L485-K495 PolarHBondContact O-NZ 3Å; N487-K495 WeakPolarHBondContact O-CE 3.46Å; N487-K495 PolarHBondContact O-NZ 3.14Å; L490-K495 HydrophobicContact CB-CG 4.33Å; L490-K495 VanDerWaalsContact O-CE 3.27Å; L490-K495 WeakPolarHBondContact O-CE 3.19Å; P491-K495 PolarHBondContact O-N 3.27Å; K495-F499 VanDerWaalsContact O-CD2 3.23Å; K495-F499 WeakPolarHBondContact O-CD2 3.11Å |
| 496 | S | 97.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -80.5 | -45.9 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | G22 S492 W493 Y494 N500 | G22-S496 PolarHBondContact N-OG 2.69Å; S492-S496 PolarHBondContact O-N 2.99Å; S492-S496 PolarHBondContact O-OG 2.94Å; W493-S496 PolarHBondContact O-N 3.19Å; Y494-S496 PolarHBondContact O-N 3.18Å; S496-N500 VanDerWaalsContact O-CB 3.23Å; S496-N500 WeakPolarHBondContact O-CB 3.31Å; S496-N500 VanDerWaalsContact O-CG 3.3Å; S496-N500 PolarHBondContact O-N 2.94Å; S496-N500 PolarHBondContact O-ND2 3.33Å; S496-N500 VanDerWaalsContact O-ND2 3.14Å |
| 497 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W493 Y494 F499 N500 E501 Y926 I960 | W493-A497 HydrophobicContact CE3-CB 3.96Å; W493-A497 HydrophobicContact CZ3-CB 4.06Å; W493-A497 WeakPolarHBondContact O-CB 3.43Å; W493-A497 PolarHBondContact O-N 2.7Å; Y494-A497 PolarHBondContact O-N 2.7Å; A497-F499 VanDerWaalsContact C-N 3.31Å; A497-F499 PolarHBondContact O-N 3.36Å; A497-N500 PolarHBondContact O-N 3.01Å; A497-E501 WeakPolarHBondContact O-CG 3.5Å; A497-E501 PolarHBondContact O-N 3.26Å; A497-Y926 HydrophobicContact CB-CD1 4.29Å; A497-Y926 HydrophobicContact CB-CD2 3.37Å; A497-Y926 HydrophobicContact CB-CE1 4.41Å; A497-Y926 HydrophobicContact CB-CE2 3.54Å; A497-Y926 HydrophobicContact CB-CG 3.78Å; A497-I960 HydrophobicContact CB-CD1 3.62Å |
| 498 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53 | -47.3 | -176 | 179.7 | 67.2 | 0 | 0 | 0 | 112.3 | I484 Y494 I960 W961 Q964 | I484-L498 HydrophobicContact CD1-CD2 3.66Å; I484-L498 HydrophobicContact CG2-CD2 4.09Å; Y494-L498 HydrophobicContact CE1-CD2 4.27Å; Y494-L498 HydrophobicContact CE2-CB 4.33Å; Y494-L498 HydrophobicContact CE2-CD1 4.39Å; Y494-L498 WeakPolarHBondContact O-CB 3.38Å; Y494-L498 PolarHBondContact O-N 2.86Å; L498-I960 HydrophobicContact CD1-CG2 4.3Å; L498-W961 HydrophobicContact CD1-CD2 3.81Å; L498-W961 HydrophobicContact CD1-CE3 4.27Å; L498-W961 HydrophobicContact CD1-CG 4.12Å; L498-W961 HydrophobicContact CD1-CH2 4.38Å; L498-W961 HydrophobicContact CD1-CZ2 3.91Å; L498-W961 HydrophobicContact CD2-CH2 4.17Å; L498-W961 HydrophobicContact CD2-CZ2 4.21Å; L498-W961 HydrophobicContact CG-CH2 4.22Å; L498-W961 HydrophobicContact CG-CZ2 3.77Å; L498-W961 PolarHBondContact O-NE1 3.32Å; L498-Q964 HydrophobicContact CD1-CB 3.98Å; L498-Q964 HydrophobicContact CD2-CB 4.38Å; L498-Q964 HydrophobicContact CD2-CG 4.32Å |
| 499 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -80 | -40.4 | 178.6 | -61.1 | -62.8 | 0 | 0 | 0 | 111.8 | L172 Y173 W480 Q481 I484 L485 K495 A497 E501 L502 W961 | L172-F499 HydrophobicContact CD1-CB 4.13Å; L172-F499 HydrophobicContact CD1-CD2 4.11Å; Y173-F499 WeakPolarHBondContact CB-O 3.31Å; Y173-F499 WeakPolarHBondContact CD1-O 3.2Å; W480-F499 HydrophobicContact CD2-CE1 4.34Å; W480-F499 AromaticContact CE2-CE1 3.81Å; W480-F499 AromaticContact CH2-CD1 3.88Å; W480-F499 HydrophobicContact CH2-CD1 3.88Å; W480-F499 HydrophobicContact CH2-CE1 4.22Å; W480-F499 AromaticContact CZ2-CD1 3.81Å; W480-F499 HydrophobicContact CZ2-CD1 3.81Å; W480-F499 AromaticContact CZ2-CE1 3.76Å; W480-F499 HydrophobicContact CZ2-CE1 3.76Å; W480-F499 HydrophobicContact CZ3-CD1 4.42Å; Q481-F499 HydrophobicContact CB-CE1 4.36Å; Q481-F499 HydrophobicContact CB-CE2 4.09Å; Q481-F499 HydrophobicContact CB-CZ 3.88Å; Q481-F499 HydrophobicContact CG-CD1 4Å; Q481-F499 HydrophobicContact CG-CD2 4.3Å; Q481-F499 HydrophobicContact CG-CE1 3.69Å; Q481-F499 HydrophobicContact CG-CE2 4.02Å; Q481-F499 HydrophobicContact CG-CG 4.3Å; Q481-F499 HydrophobicContact CG-CZ 3.71Å; I484-F499 HydrophobicContact CB-CE2 4.36Å; I484-F499 HydrophobicContact CB-CZ 4.11Å; I484-F499 HydrophobicContact CD1-CZ 3.94Å; I484-F499 HydrophobicContact CG2-CE2 4.23Å; I484-F499 HydrophobicContact CG2-CZ 4.32Å; L485-F499 HydrophobicContact CD2-CD2 4.18Å; L485-F499 HydrophobicContact CD2-CE2 3.79Å; L485-F499 HydrophobicContact CG-CE2 4.11Å; K495-F499 VanDerWaalsContact O-CD2 3.23Å; K495-F499 WeakPolarHBondContact O-CD2 3.11Å; A497-F499 VanDerWaalsContact C-N 3.31Å; A497-F499 PolarHBondContact O-N 3.36Å; F499-E501 VanDerWaalsContact C-N 3.32Å; F499-E501 PolarHBondContact O-N 2.94Å; F499-L502 VanDerWaalsContact O-CB 3.3Å; F499-L502 WeakPolarHBondContact O-CB 3.48Å; F499-L502 PolarHBondContact O-N 3.49Å; F499-L502 VanDerWaalsContact O-N 3.11Å; F499-W961 HydrophobicContact CD1-CZ2 4.36Å; F499-W961 HydrophobicContact CE1-CH2 4.36Å; F499-W961 HydrophobicContact CE1-CZ2 4.36Å |
| 500 | N | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | -176 | -80 | -33.9 | 0 | 0 | 0 | 113.6 | G171 L172 Y173 S496 A497 L502 Y503 Y930 Y937 | G171-N500 PolarHBondContact O-ND2 2.84Å; G171-N500 PolarHBondContact O-OD1 3.19Å; L172-N500 WeakPolarHBondContact CA-OD1 3.28Å; Y173-N500 PolarHBondContact N-OD1 3.31Å; S496-N500 VanDerWaalsContact O-CB 3.23Å; S496-N500 WeakPolarHBondContact O-CB 3.31Å; S496-N500 VanDerWaalsContact O-CG 3.3Å; S496-N500 PolarHBondContact O-N 2.94Å; S496-N500 PolarHBondContact O-ND2 3.33Å; S496-N500 VanDerWaalsContact O-ND2 3.14Å; A497-N500 PolarHBondContact O-N 3.01Å; N500-L502 PolarHBondContact O-N 3.35Å; N500-Y503 WeakPolarHBondContact O-CB 3.38Å; N500-Y503 WeakPolarHBondContact O-CD1 3.36Å; N500-Y503 PolarHBondContact O-N 3.48Å; N500-Y930 HydrophobicContact CB-CE1 4.23Å; N500-Y937 HydrophobicContact CB-CE1 3.95Å; N500-Y937 PolarHBondContact ND2-OH 3Å; N500-Y937 PolarHBondContact OD1-OH 2.84Å |
| 501 | E | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -68.2 | -17.6 | 176.3 | -65.7 | -73.6 | -148.9 | 0 | 0 | 113.5 | A497 F499 Y503 Y903 Y930 T939 A957 I960 | A497-E501 WeakPolarHBondContact O-CG 3.5Å; A497-E501 PolarHBondContact O-N 3.26Å; F499-E501 VanDerWaalsContact C-N 3.32Å; F499-E501 PolarHBondContact O-N 2.94Å; E501-Y503 PolarHBondContact O-N 3.4Å; E501-Y903 PolarHBondContact OE1-OH 3.39Å; E501-Y930 PolarHBondContact OE2-OH 3.5Å; E501-T939 PolarHBondContact OE1-OG1 3.47Å; E501-T939 WeakPolarHBondContact OE2-CB 3.14Å; E501-T939 PolarHBondContact OE2-OG1 2.94Å; E501-A957 HydrophobicContact CB-CB 4.22Å; E501-A957 WeakPolarHBondContact OE2-CB 3.23Å; E501-I960 HydrophobicContact CB-CG2 3.83Å; E501-I960 HydrophobicContact CG-CD1 4.1Å; E501-I960 HydrophobicContact CG-CG2 4.18Å |
| 502 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -68.8 | -8.9 | 173 | -68.3 | 174.4 | 0 | 0 | 0 | 113.6 | Y173 W480 F499 N500 Y504 L505 A604 L608 L958 W961 | Y173-L502 HydrophobicContact CD1-CB 3.58Å; Y173-L502 HydrophobicContact CE1-CB 3.52Å; Y173-L502 PolarHBondContact OH-O 3.49Å; W480-L502 HydrophobicContact CH2-CD1 3.5Å; W480-L502 VanDerWaalsContact CH2-CD1 3.5Å; W480-L502 HydrophobicContact CZ2-CD1 3.74Å; F499-L502 VanDerWaalsContact O-CB 3.3Å; F499-L502 WeakPolarHBondContact O-CB 3.48Å; F499-L502 PolarHBondContact O-N 3.49Å; F499-L502 VanDerWaalsContact O-N 3.11Å; N500-L502 PolarHBondContact O-N 3.35Å; L502-Y504 PolarHBondContact O-N 2.99Å; L502-L505 HydrophobicContact CD2-CD1 3.91Å; L502-L505 PolarHBondContact O-N 3.15Å; L502-A604 HydrophobicContact CD2-CB 3.88Å; L502-L608 HydrophobicContact CD1-CD1 3.68Å; L502-L608 HydrophobicContact CD2-CD1 3.85Å; L502-L608 HydrophobicContact CG-CD1 4.42Å; L502-L958 HydrophobicContact CD2-CD2 4Å; L502-W961 HydrophobicContact CD1-CZ2 3.69Å; L502-W961 VanDerWaalsContact CD2-NE1 3.26Å; L502-W961 HydrophobicContact CG-CZ2 4.35Å |
| 503 | Y | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.011 | C | C | . | . | G | 310 helix | trans | -50.4 | -32.2 | 175.5 | 85.4 | -80.4 | 0 | 0 | 0 | 112.4 | N500 E501 L505 S506 D507 Y937 Q938 T939 G953 | N500-Y503 WeakPolarHBondContact O-CB 3.38Å; N500-Y503 WeakPolarHBondContact O-CD1 3.36Å; N500-Y503 PolarHBondContact O-N 3.48Å; E501-Y503 PolarHBondContact O-N 3.4Å; Y503-L505 PolarHBondContact O-N 3.39Å; Y503-S506 PolarHBondContact O-N 2.7Å; Y503-D507 HydrophobicContact CD2-CB 3.79Å; Y503-D507 HydrophobicContact CE2-CB 4.13Å; Y503-D507 WeakPolarHBondContact O-CB 3.42Å; Y503-D507 PolarHBondContact O-N 3.24Å; Y503-Y937 HydrophobicContact CD1-CD1 4.2Å; Y503-Y937 HydrophobicContact CD2-CD1 4.5Å; Y503-Y937 WeakPolarHBondContact CE2-O 3.45Å; Y503-Y937 AromaticContact CG-CD1 3.89Å; Y503-Y937 HydrophobicContact CG-CD1 3.89Å; Y503-Q938 VanDerWaalsContact OH-CA 3.24Å; Y503-Q938 WeakPolarHBondContact OH-CA 2.97Å; Y503-Q938 PolarHBondContact OH-N 3.46Å; Y503-T939 PolarHBondContact OH-N 3.03Å; Y503-G953 WeakPolarHBondContact OH-CA 3.46Å |
| 504 | Y | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -63.9 | -25.4 | -177.6 | -164.5 | -103 | 0 | 0 | 0 | 113.1 | L502 S506 G508 Y583 L584 E585 G586 G953 Y954 M955 L958 | L502-Y504 PolarHBondContact O-N 2.99Å; Y504-S506 PolarHBondContact O-N 2.88Å; Y504-G508 VanDerWaalsContact CZ-CA 3.42Å; Y504-G508 WeakPolarHBondContact O-CA 3.42Å; Y504-G508 PolarHBondContact O-N 2.94Å; Y504-Y583 HydrophobicContact CD1-CD2 4.44Å; Y504-Y583 AromaticContact CE1-CD2 3.98Å; Y504-Y583 HydrophobicContact CE1-CD2 3.98Å; Y504-Y583 HydrophobicContact CE1-CE2 4.5Å; Y504-L584 WeakPolarHBondContact CE1-O 3.48Å; Y504-L584 PolarHBondContact OH-O 2.63Å; Y504-E585 VanDerWaalsContact OH-C 3.22Å; Y504-E585 PolarHBondContact OH-O 3.46Å; Y504-E585 VanDerWaalsContact OH-O 3.1Å; Y504-G586 VanDerWaalsContact OH-CA 3.23Å; Y504-G586 WeakPolarHBondContact OH-CA 3.24Å; Y504-G586 PolarHBondContact OH-N 3.43Å; Y504-G953 WeakPolarHBondContact CE2-O 3.46Å; Y504-Y954 VanDerWaalsContact CE2-N 3.34Å; Y504-M955 VanDerWaalsContact CD1-CA 3.49Å; Y504-M955 HydrophobicContact CD1-CB 4Å; Y504-M955 HydrophobicContact CE1-CB 3.56Å; Y504-L958 HydrophobicContact CD1-CD1 4.3Å |
| 505 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -68.3 | -21.4 | 175.1 | -66.6 | 179 | 0 | 0 | 0 | 113.3 | I93 L502 Y503 T510 L605 W609 L958 | I93-L505 HydrophobicContact CD1-CB 3.78Å; I93-L505 HydrophobicContact CD1-CD1 4.18Å; I93-L505 HydrophobicContact CG1-CB 4.09Å; L502-L505 HydrophobicContact CD2-CD1 3.91Å; L502-L505 PolarHBondContact O-N 3.15Å; Y503-L505 PolarHBondContact O-N 3.39Å; L505-T510 WeakPolarHBondContact O-CG2 3.27Å; L505-T510 PolarHBondContact O-OG1 2.77Å; L505-L605 HydrophobicContact CD1-CD2 4.26Å; L505-L605 HydrophobicContact CD2-CD2 3.78Å; L505-W609 HydrophobicContact CD1-CE3 3.8Å; L505-W609 HydrophobicContact CD1-CH2 4Å; L505-W609 HydrophobicContact CD1-CZ3 3.24Å; L505-L958 HydrophobicContact CD2-CD1 3.66Å; L505-L958 HydrophobicContact CD2-CD2 4.36Å; L505-L958 HydrophobicContact CG-CD1 4.21Å; L505-L958 HydrophobicContact CG-CD2 4Å |
| 506 | S | 96 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -97.7 | -43.2 | 171.5 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | G91 S97 Y173 Y503 Y504 | G91-S506 PolarHBondContact O-OG 2.93Å; S97-S506 WeakPolarHBondContact CB-O 3.3Å; S97-S506 PolarHBondContact OG-O 3.26Å; Y173-S506 PolarHBondContact OH-OG 3.11Å; Y503-S506 PolarHBondContact O-N 2.7Å; Y504-S506 PolarHBondContact O-N 2.88Å |
| 507 | D | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -84.7 | -22.9 | -172.3 | -167.4 | 80.2 | 0 | 0 | 0 | 114 | P89 S97 R108 Y116 Y503 G509 H587 | P89-D507 HydrophobicContact CB-CB 4.36Å; P89-D507 HydrophobicContact CG-CB 4.17Å; S97-D507 WeakPolarHBondContact OG-CA 3.44Å; R108-D507 IonicContact CZ-OD1 2.67Å; R108-D507 IonicContact CZ-OD2 3.83Å; R108-D507 IonicContact NE-OD1 3.68Å; R108-D507 PolarHBondContact NE-OD1 3.17Å; R108-D507 IonicContact NE-OD2 3.9Å; R108-D507 PolarHBondContact NE-OD2 2.89Å; R108-D507 IonicContact NH1-OD2 2.59Å; R108-D507 IonicContact NH2-OD1 2.69Å; R108-D507 PolarHBondContact NH2-OD1 3.05Å; R108-D507 IonicContact NH2-OD2 3.13Å; R108-D507 PolarHBondContact NH2-OD2 3Å; Y116-D507 VanDerWaalsContact CE1-O 3.32Å; Y116-D507 WeakPolarHBondContact CE1-O 3.15Å; Y116-D507 PolarHBondContact OH-O 2.88Å; Y503-D507 HydrophobicContact CD2-CB 3.79Å; Y503-D507 HydrophobicContact CE2-CB 4.13Å; Y503-D507 WeakPolarHBondContact O-CB 3.42Å; Y503-D507 PolarHBondContact O-N 3.24Å; D507-G509 PolarHBondContact O-N 3.31Å; D507-H587 IonicContact OD2-CE1 3.22Å; D507-H587 PolarHBondContact OD2-CE1 3.44Å; D507-H587 IonicContact OD2-NE2 3.79Å; D507-H587 PolarHBondContact OD2-NE2 3.44Å |
| 508 | G | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -74.7 | 33.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y116 Y504 T510 L584 | Y116-G508 VanDerWaalsContact OH-C 3.29Å; Y504-G508 VanDerWaalsContact CZ-CA 3.42Å; Y504-G508 WeakPolarHBondContact O-CA 3.42Å; Y504-G508 PolarHBondContact O-N 2.94Å; G508-T510 VanDerWaalsContact C-N 3.29Å; G508-T510 PolarHBondContact O-N 3.22Å; G508-L584 PolarHBondContact O-N 2.79Å |
| 509 | G | 96.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 4% | 0.041 | 8% | 0.076 | C | C | . | . | trans | 66 | 32.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y116 D507 Y592 | Y116-G509 WeakPolarHBondContact OH-CA 3.17Å; Y116-G509 PolarHBondContact OH-N 2.94Å; D507-G509 PolarHBondContact O-N 3.31Å; G509-Y592 WeakPolarHBondContact O-CE1 3.26Å | ||
| 510 | T | 98.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | trans | -70.7 | 139.5 | -169.8 | 63 | 0 | 0 | 0 | 0 | 112 | G94 L505 G508 G582 | G94-T510 CarbonylContact C-O 3.5Å; G94-T510 WeakPolarHBondContact CA-O 3.17Å; G94-T510 PolarHBondContact N-OG1 3.31Å; L505-T510 WeakPolarHBondContact O-CG2 3.27Å; L505-T510 PolarHBondContact O-OG1 2.77Å; G508-T510 VanDerWaalsContact C-N 3.29Å; G508-T510 PolarHBondContact O-N 3.22Å; T510-G582 CarbonylContact C-O 3.58Å; T510-G582 VanDerWaalsContact CA-O 3.28Å; T510-G582 WeakPolarHBondContact CA-O 3.45Å | ||
| 511 | V | 98.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.9 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 108.9 | P113 F436 L513 G582 Y592 W661 | P113-V511 HydrophobicContact CB-CG1 4.1Å; P113-V511 HydrophobicContact CG-CG1 4.29Å; F436-V511 HydrophobicContact CZ-CG2 4.32Å; V511-L513 HydrophobicContact CB-CD1 3.97Å; V511-L513 HydrophobicContact CB-CD2 4.3Å; V511-L513 HydrophobicContact CB-CG 3.97Å; V511-L513 HydrophobicContact CG2-CD1 4.26Å; V511-G582 PolarHBondContact N-O 3.4Å; V511-G582 PolarHBondContact O-N 3.4Å; V511-Y592 HydrophobicContact CG1-CE1 4.39Å; V511-Y592 HydrophobicContact CG2-CD1 4.29Å; V511-Y592 HydrophobicContact CG2-CE1 3.75Å; V511-W661 HydrophobicContact CG2-CH2 3.92Å |
| 512 | W | 98.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 107.5 | 175.7 | -161 | -3.9 | 0 | 0 | 0 | 108.4 | I93 G94 Y202 C206 R445 R446 I578 L580 F581 I612 | I93-W512 HydrophobicContact CG2-CE3 4.48Å; G94-W512 PolarHBondContact O-N 2.93Å; G94-W512 VanDerWaalsContact O-N 3.14Å; Y202-W512 HydrophobicContact CD1-CH2 4.01Å; Y202-W512 HydrophobicContact CD1-CZ2 4.45Å; C206-W512 HydrophobicContact CB-CE3 3.6Å; C206-W512 HydrophobicContact CB-CZ3 3.76Å; R445-W512 CarbonylContact C-O 3.55Å; R445-W512 WeakPolarHBondContact CA-O 3.34Å; R446-W512 HydrophobicContact CB-CB 4.26Å; R446-W512 HydrophobicContact CB-CD2 4.37Å; R446-W512 HydrophobicContact CB-CG 3.95Å; R446-W512 WeakPolarHBondContact CB-O 3.34Å; R446-W512 VanDerWaalsContact CD-CD1 3.45Å; R446-W512 VanDerWaalsContact CD-CD2 3.5Å; R446-W512 PolarHBondContact N-O 3.49Å; W512-I578 HydrophobicContact CZ2-CD1 4.45Å; W512-I578 HydrophobicContact CZ2-CG2 4.22Å; W512-I578 PolarHBondContact NE1-O 2.83Å; W512-L580 CarbonylContact C-O 3.52Å; W512-L580 WeakPolarHBondContact CA-O 3.45Å; W512-F581 HydrophobicContact CB-CD2 4.1Å; W512-F581 HydrophobicContact CD2-CD2 4.14Å; W512-F581 AromaticContact CG-CD2 3.96Å; W512-F581 HydrophobicContact CG-CD2 3.96Å; W512-I612 HydrophobicContact CE3-CD1 4.45Å; W512-I612 HydrophobicContact CH2-CD1 3.5Å; W512-I612 HydrophobicContact CH2-CG1 4Å; W512-I612 HydrophobicContact CZ2-CD1 3.81Å; W512-I612 HydrophobicContact CZ2-CG1 3.85Å; W512-I612 HydrophobicContact CZ3-CD1 3.83Å |
| 513 | L | 98.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.2 | -152.6 | -56.7 | -178.3 | 0 | 0 | 0 | 113 | V434 F436 Y443 T444 R445 V511 L580 W661 | V434-L513 HydrophobicContact CG2-CD1 4.22Å; V434-L513 HydrophobicContact CG2-CD2 3.48Å; V434-L513 VanDerWaalsContact CG2-CD2 3.48Å; F436-L513 HydrophobicContact CE2-CD1 3.77Å; F436-L513 HydrophobicContact CZ-CD1 3.68Å; Y443-L513 HydrophobicContact CD1-CB 3.82Å; Y443-L513 HydrophobicContact CD1-CD1 4.02Å; Y443-L513 HydrophobicContact CD2-CD1 4.32Å; Y443-L513 HydrophobicContact CG-CB 4.2Å; Y443-L513 HydrophobicContact CG-CD1 3.88Å; T444-L513 CarbonylContact O-C 3.46Å; T444-L513 VanDerWaalsContact O-CA 3.26Å; T444-L513 WeakPolarHBondContact O-CA 3.38Å; R445-L513 HydrophobicContact CG-CD2 4.1Å; V511-L513 HydrophobicContact CB-CD1 3.97Å; V511-L513 HydrophobicContact CB-CD2 4.3Å; V511-L513 HydrophobicContact CB-CG 3.97Å; V511-L513 HydrophobicContact CG2-CD1 4.26Å; L513-L580 PolarHBondContact N-O 2.83Å; L513-L580 PolarHBondContact O-N 3.37Å; L513-W661 HydrophobicContact CD1-CH2 4.4Å; L513-W661 HydrophobicContact CD1-CZ3 4.33Å |
| 514 | D | 95.3 | Very high | 80.8 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.4 | 165.8 | -70.9 | -62.3 | 0 | 0 | 0 | 109.3 | Y443 T444 R449 | Y443-D514 CarbonylContact C-O 3.47Å; Y443-D514 VanDerWaalsContact CA-O 3.29Å; Y443-D514 WeakPolarHBondContact CA-O 3.47Å; T444-D514 PolarHBondContact N-O 3.25Å; T444-D514 PolarHBondContact O-N 2.78Å; T444-D514 PolarHBondContact OG1-O 3.22Å; R449-D514 IonicContact CZ-OD1 2.73Å; R449-D514 IonicContact CZ-OD2 2.64Å; R449-D514 IonicContact NE-OD1 3.61Å; R449-D514 IonicContact NE-OD2 3.91Å; R449-D514 PolarHBondContact NE-OD2 3.35Å; R449-D514 VanDerWaalsContact NH2-CG 3.34Å; R449-D514 IonicContact NH2-OD1 2.78Å; R449-D514 PolarHBondContact NH2-OD1 2.91Å; R449-D514 IonicContact NH2-OD2 2.84Å; R449-D514 PolarHBondContact NH2-OD2 3.32Å |
| 515 | P | 93 | Very high | 78.9 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.3 | 175.4 | 27 | -33.7 | 0 | 0 | 0 | 110.9 | V441 Y443 P530 L533 V534 | V441-P515 HydrophobicContact CG1-CB 3.85Å; Y443-P515 HydrophobicContact CD1-CB 3.98Å; Y443-P515 HydrophobicContact CE1-CB 3.86Å; P515-P530 HydrophobicContact CG-CB 3.92Å; P515-L533 HydrophobicContact CB-CD2 3.9Å; P515-L533 HydrophobicContact CG-CB 4.5Å; P515-L533 HydrophobicContact CG-CD2 3.83Å; P515-V534 HydrophobicContact CB-CG2 3.97Å; P515-V534 HydrophobicContact CG-CG2 4.17Å |
| 516 | I | 86.6 | Confident | 77.1 | Confident | 57 Ų | 57 | 51 Ų | 51 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | trans | -84.6 | 122.9 | 174.8 | -54.8 | -178.5 | 0 | 0 | 0 | 108.4 | V442 T444 V518 | V442-I516 HydrophobicContact CB-CD1 4.34Å; V442-I516 HydrophobicContact CG1-CD1 3.77Å; V442-I516 WeakPolarHBondContact O-CB 3.44Å; V442-I516 WeakPolarHBondContact O-CG1 3.16Å; V442-I516 PolarHBondContact O-N 3.35Å; T444-I516 HydrophobicContact CG2-CD1 3.76Å; T444-I516 HydrophobicContact CG2-CG1 3.94Å; I516-V518 PolarHBondContact O-N 2.76Å; I516-V518 VanDerWaalsContact O-N 3.14Å | ||
| 517 | Q | 70 | Confident | 75.9 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | trans | -72.4 | 103.5 | 169.6 | -70.7 | -178 | 2.1 | 0 | 0 | 109.2 | L525 L533 | Q517-L525 PolarHBondContact NE2-O 3.42Å; Q517-L533 HydrophobicContact CB-CD2 4.48Å; Q517-L533 HydrophobicContact CG-CD1 3.99Å; Q517-L533 HydrophobicContact CG-CD2 3.3Å; Q517-L533 HydrophobicContact CG-CG 4.3Å | ||
| 518 | V | 59.8 | Low | 75.3 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | trans | -83.8 | -33.6 | 174.9 | -173 | 0 | 0 | 0 | 0 | 110.6 | T266 I516 C520 | T266-V518 HydrophobicContact CG2-CG1 4.24Å; I516-V518 PolarHBondContact O-N 2.76Å; I516-V518 VanDerWaalsContact O-N 3.14Å; V518-C520 PolarHBondContact O-N 3.42Å | ||
| 519 | D | 53.6 | Low | 75.1 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | trans | -89.3 | 99.9 | 179.1 | -67.1 | -29.9 | 0 | 0 | 0 | 111.1 | H263 F521 | H263-D519 IonicContact CE1-OD2 3.61Å; D519-F521 PolarHBondContact O-N 3.15Å | ||
| 520 | C | 48 | Very low | 74.9 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.6 | 176.1 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | V518 | V518-C520 PolarHBondContact O-N 3.42Š|
| 521 | F | 46.6 | Very low | 74.8 | Confident | 185 Ų | 185 | 59.6 Ų | 59.6 | 81% | 0.811 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -13.3 | -166 | -65.5 | -71.3 | 0 | 0 | 0 | 116.3 | D519 | D519-F521 PolarHBondContact O-N 3.15Š|
| 522 | K | 53.9 | Low | 74.4 | Confident | 145 Ų | 145 | 60.1 Ų | 60.1 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | trans | -101.1 | 104 | 172.1 | -67.9 | -175.3 | -179.7 | 178 | 0 | 108.6 | D524 L525 | K522-D524 PolarHBondContact O-N 3.39Å; K522-L525 HydrophobicContact CB-CB 4.48Å; K522-L525 HydrophobicContact CB-CD1 3.93Å; K522-L525 HydrophobicContact CB-CG 3.92Å; K522-L525 HydrophobicContact CD-CD1 4.18Å; K522-L525 PolarHBondContact O-N 3.2Å | ||
| 523 | S | 54.5 | Low | 74 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -49.6 | -33.4 | 177.1 | 58 | 0 | 0 | 0 | 0 | 112.6 | L525 L526 | S523-L525 VanDerWaalsContact C-N 3.26Å; S523-L525 PolarHBondContact O-N 3.42Å; S523-L526 PolarHBondContact O-N 3.49Å |
| 524 | D | 59.5 | Low | 73.7 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 68% | 0.684 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -68.9 | -22.6 | -176.3 | -60.1 | -7.8 | 0 | 0 | 0 | 112.8 | K522 | K522-D524 PolarHBondContact O-N 3.39Š|
| 525 | L | 59.2 | Low | 73.4 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -81.1 | -22.4 | 179.4 | -66.6 | 178.8 | 0 | 0 | 0 | 113.2 | Q517 K522 S523 N527 C528 L533 | Q517-L525 PolarHBondContact NE2-O 3.42Å; K522-L525 HydrophobicContact CB-CB 4.48Å; K522-L525 HydrophobicContact CB-CD1 3.93Å; K522-L525 HydrophobicContact CB-CG 3.92Å; K522-L525 HydrophobicContact CD-CD1 4.18Å; K522-L525 PolarHBondContact O-N 3.2Å; S523-L525 VanDerWaalsContact C-N 3.26Å; S523-L525 PolarHBondContact O-N 3.42Å; L525-N527 PolarHBondContact O-N 2.84Å; L525-N527 VanDerWaalsContact O-N 3.14Å; L525-C528 WeakPolarHBondContact O-CB 3.28Å; L525-C528 PolarHBondContact O-N 2.87Å; L525-L533 HydrophobicContact CD1-CD1 4.47Å; L525-L533 HydrophobicContact CD2-CD1 4.48Å |
| 526 | L | 59.1 | Low | 72.8 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.2 | -178 | -89.1 | 144.3 | 0 | 0 | 0 | 113.1 | S523 | S523-L526 PolarHBondContact O-N 3.49Š|
| 527 | N | 70.4 | Confident | 72.2 | Confident | 140 Ų | 140 | 62.2 Ų | 62.2 | 75% | 0.749 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 5 | -179.4 | -66.7 | -28.2 | 0 | 0 | 0 | 113.5 | L525 | L525-N527 PolarHBondContact O-N 2.84Å; L525-N527 VanDerWaalsContact O-N 3.14Å |
| 528 | C | 84.4 | Confident | 72.5 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | trans | -70.6 | 139.8 | -178.4 | -162.4 | 0 | 0 | 0 | 0 | 110.7 | L525 D532 L533 | L525-C528 WeakPolarHBondContact O-CB 3.28Å; L525-C528 PolarHBondContact O-N 2.87Å; C528-D532 WeakPolarHBondContact SG-CB 3.08Å; C528-L533 PolarHBondContact SG-N 2.62Å | ||
| 529 | I | 92.9 | Very high | 73.1 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -67.9 | 156.8 | 172.9 | 59.2 | 157.3 | 0 | 0 | 0 | 110.4 | L531 D532 L533 W568 A572 | I529-L531 VanDerWaalsContact C-N 3.31Å; I529-L531 HydrophobicContact CD1-CB 3.99Å; I529-L531 PolarHBondContact O-N 2.99Å; I529-D532 HydrophobicContact CD1-CB 4.4Å; I529-D532 HydrophobicContact CG1-CB 3.73Å; I529-D532 PolarHBondContact O-N 3.32Å; I529-L533 PolarHBondContact O-N 3.33Å; I529-W568 HydrophobicContact CD1-CH2 3.94Å; I529-W568 HydrophobicContact CD1-CZ3 4.38Å; I529-W568 HydrophobicContact CG1-CH2 4.15Å; I529-W568 HydrophobicContact CG2-CH2 4.01Å; I529-W568 HydrophobicContact CG2-CZ2 4.35Å; I529-A572 HydrophobicContact CG2-CB 3.76Å | ||
| 530 | P | 93.7 | Very high | 73.8 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -49.9 | -44.9 | 178.9 | -33.4 | 38 | 0 | 0 | 0 | 115.2 | P515 L533 V534 L580 | P515-P530 HydrophobicContact CG-CB 3.92Å; P530-L533 PolarHBondContact O-N 3.1Å; P530-V534 WeakPolarHBondContact O-CG2 3.32Å; P530-V534 PolarHBondContact O-N 2.89Å; P530-V534 VanDerWaalsContact O-N 3.15Å; P530-L580 HydrophobicContact CB-CD1 4.32Å; P530-L580 HydrophobicContact CB-CD2 4.17Å; P530-L580 HydrophobicContact CB-CG 3.87Å |
| 531 | L | 94.5 | Very high | 75 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | -178.6 | -177.6 | 70.2 | 0 | 0 | 0 | 112.1 | I529 L533 V534 R535 L580 D619 D622 L623 W661 | I529-L531 VanDerWaalsContact C-N 3.31Å; I529-L531 HydrophobicContact CD1-CB 3.99Å; I529-L531 PolarHBondContact O-N 2.99Å; L531-L533 VanDerWaalsContact C-N 3.34Å; L531-V534 PolarHBondContact O-N 2.76Å; L531-R535 WeakPolarHBondContact O-CG 3.41Å; L531-R535 PolarHBondContact O-N 3.03Å; L531-L580 HydrophobicContact CB-CD2 4.08Å; L531-L580 HydrophobicContact CD1-CD2 4.19Å; L531-D619 HydrophobicContact CD1-CB 4.34Å; L531-D619 HydrophobicContact CD2-CB 4.06Å; L531-D622 HydrophobicContact CD2-CB 3.52Å; L531-L623 HydrophobicContact CD1-CD2 4.44Å; L531-W661 HydrophobicContact CD1-CB 3.71Å; L531-W661 HydrophobicContact CD1-CG 3.94Å |
| 532 | D | 91.8 | Very high | 76.8 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -37 | -178.7 | -77.1 | 12.3 | 0 | 0 | 0 | 111.8 | C528 I529 V534 R535 S536 L543 R551 | C528-D532 WeakPolarHBondContact SG-CB 3.08Å; I529-D532 HydrophobicContact CD1-CB 4.4Å; I529-D532 HydrophobicContact CG1-CB 3.73Å; I529-D532 PolarHBondContact O-N 3.32Å; D532-V534 VanDerWaalsContact C-N 3.27Å; D532-V534 PolarHBondContact O-N 2.84Å; D532-R535 CarbonylContact O-C 3.58Å; D532-R535 PolarHBondContact O-N 3.47Å; D532-R535 VanDerWaalsContact O-N 3.11Å; D532-S536 VanDerWaalsContact O-CB 3.32Å; D532-S536 WeakPolarHBondContact O-CB 3.23Å; D532-S536 PolarHBondContact O-N 3.38Å; D532-L543 HydrophobicContact CB-CD1 4.13Å; D532-R551 IonicContact OD1-CZ 2.7Å; D532-R551 IonicContact OD1-NH1 3.34Å; D532-R551 PolarHBondContact OD1-NH1 3.16Å; D532-R551 WeakPolarHBondContact OD2-CD 3.49Å; D532-R551 IonicContact OD2-CZ 2.85Å; D532-R551 IonicContact OD2-NE 2.61Å; D532-R551 IonicContact OD2-NH1 2.7Å; D532-R551 PolarHBondContact OD2-NH1 3.1Å |
| 533 | L | 89.8 | Confident | 78.4 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175 | 178.7 | 65.6 | 0 | 0 | 0 | 110.9 | P515 Q517 L525 C528 I529 P530 L531 R535 S536 Y537 | P515-L533 HydrophobicContact CB-CD2 3.9Å; P515-L533 HydrophobicContact CG-CB 4.5Å; P515-L533 HydrophobicContact CG-CD2 3.83Å; Q517-L533 HydrophobicContact CB-CD2 4.48Å; Q517-L533 HydrophobicContact CG-CD1 3.99Å; Q517-L533 HydrophobicContact CG-CD2 3.3Å; Q517-L533 HydrophobicContact CG-CG 4.3Å; L525-L533 HydrophobicContact CD1-CD1 4.47Å; L525-L533 HydrophobicContact CD2-CD1 4.48Å; C528-L533 PolarHBondContact SG-N 2.62Å; I529-L533 PolarHBondContact O-N 3.33Å; P530-L533 PolarHBondContact O-N 3.1Å; L531-L533 VanDerWaalsContact C-N 3.34Å; L533-R535 VanDerWaalsContact C-N 3.3Å; L533-R535 PolarHBondContact O-N 2.76Å; L533-S536 PolarHBondContact O-OG 3.14Å; L533-Y537 HydrophobicContact CD1-CE2 4.36Å; L533-Y537 WeakPolarHBondContact O-CD2 3.44Å; L533-Y537 VanDerWaalsContact O-CE2 3.24Å; L533-Y537 WeakPolarHBondContact O-CE2 3.23Å |
| 534 | V | 91 | Very high | 80.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | V441 Y443 P515 P530 L531 D532 L580 E659 W661 R662 | V441-V534 HydrophobicContact CG1-CG2 4.4Å; V441-V534 HydrophobicContact CG2-CG1 4.47Å; Y443-V534 HydrophobicContact CE1-CG2 3.76Å; Y443-V534 WeakPolarHBondContact OH-CG1 3.4Å; Y443-V534 VanDerWaalsContact OH-CG2 3.27Å; Y443-V534 WeakPolarHBondContact OH-CG2 3.28Å; P515-V534 HydrophobicContact CB-CG2 3.97Å; P515-V534 HydrophobicContact CG-CG2 4.17Å; P530-V534 WeakPolarHBondContact O-CG2 3.32Å; P530-V534 PolarHBondContact O-N 2.89Å; P530-V534 VanDerWaalsContact O-N 3.15Å; L531-V534 PolarHBondContact O-N 2.76Å; D532-V534 VanDerWaalsContact C-N 3.27Å; D532-V534 PolarHBondContact O-N 2.84Å; V534-L580 HydrophobicContact CG2-CD1 3.7Å; V534-E659 HydrophobicContact CG1-CG 4.23Å; V534-W661 HydrophobicContact CG1-CB 4.21Å; V534-R662 HydrophobicContact CG1-CB 4.19Å; V534-R662 VanDerWaalsContact O-CZ 3.25Å; V534-R662 PolarHBondContact O-NE 3.48Å; V534-R662 PolarHBondContact O-NH2 3.3Å |
| 535 | R | 89.1 | Confident | 81.5 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.8 | -21.9 | -178.5 | -67.8 | 176.2 | 69.7 | -167.9 | 3.1 | 114.1 | L531 D532 L533 Y537 K538 L543 D622 W661 | L531-R535 WeakPolarHBondContact O-CG 3.41Å; L531-R535 PolarHBondContact O-N 3.03Å; D532-R535 CarbonylContact O-C 3.58Å; D532-R535 PolarHBondContact O-N 3.47Å; D532-R535 VanDerWaalsContact O-N 3.11Å; L533-R535 VanDerWaalsContact C-N 3.3Å; L533-R535 PolarHBondContact O-N 2.76Å; R535-Y537 PolarHBondContact O-N 3.16Å; R535-Y537 VanDerWaalsContact O-N 3.14Å; R535-K538 VanDerWaalsContact O-CB 3.29Å; R535-K538 WeakPolarHBondContact O-CB 3.48Å; R535-K538 PolarHBondContact O-N 3.28Å; R535-L543 HydrophobicContact CB-CD2 3.99Å; R535-D622 PolarHBondContact NH1-O 3.45Å; R535-W661 VanDerWaalsContact CG-O 3.25Å; R535-W661 WeakPolarHBondContact CG-O 3.23Å |
| 536 | S | 80.6 | Confident | 83 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.1 | -174.9 | 66.4 | 0 | 0 | 0 | 0 | 114 | D532 L533 K538 | D532-S536 VanDerWaalsContact O-CB 3.32Å; D532-S536 WeakPolarHBondContact O-CB 3.23Å; D532-S536 PolarHBondContact O-N 3.38Å; L533-S536 PolarHBondContact O-OG 3.14Å; S536-K538 VanDerWaalsContact C-N 3.26Å |
| 537 | Y | 74.7 | Confident | 84.5 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9 | 173.2 | -65.3 | -99.9 | 0 | 0 | 0 | 112.8 | L533 R535 R662 | L533-Y537 HydrophobicContact CD1-CE2 4.36Å; L533-Y537 WeakPolarHBondContact O-CD2 3.44Å; L533-Y537 VanDerWaalsContact O-CE2 3.24Å; L533-Y537 WeakPolarHBondContact O-CE2 3.23Å; R535-Y537 PolarHBondContact O-N 3.16Å; R535-Y537 VanDerWaalsContact O-N 3.14Å; Y537-R662 VanDerWaalsContact CD2-NH2 3.28Å; Y537-R662 VanDerWaalsContact CG-NH2 3.34Å |
| 538 | K | 75.1 | Confident | 85.6 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.6 | 109.6 | 176 | -168.3 | 173.6 | 178.6 | 176.8 | 0 | 109.1 | R535 S536 V541 D628 R662 | R535-K538 VanDerWaalsContact O-CB 3.29Å; R535-K538 WeakPolarHBondContact O-CB 3.48Å; R535-K538 PolarHBondContact O-N 3.28Å; S536-K538 VanDerWaalsContact C-N 3.26Å; K538-V541 HydrophobicContact CB-CG2 4.46Å; K538-V541 HydrophobicContact CD-CG2 3.74Å; K538-V541 HydrophobicContact CG-CG2 3.79Å; K538-D628 IonicContact NZ-OD1 3.19Å; K538-D628 PolarHBondContact NZ-OD1 3.14Å; K538-D628 IonicContact NZ-OD2 3.85Å; K538-D628 PolarHBondContact NZ-OD2 3.25Å; K538-R662 HydrophobicContact CB-CG 4.06Å; K538-R662 HydrophobicContact CD-CG 4.01Å; K538-R662 HydrophobicContact CG-CG 4.5Å; K538-R662 PolarHBondContact NZ-O 3.01Å |
| 539 | N | 72 | Confident | 86.1 | Confident | 153 Ų | 153 | 41.6 Ų | 41.6 | 82% | 0.818 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 146.7 | -179.9 | -67.8 | -28.3 | 0 | 0 | 0 | 111.8 | V541 | N539-V541 VanDerWaalsContact C-N 3.29Å; N539-V541 PolarHBondContact O-N 3.42Å |
| 540 | G | 69.9 | Low | 86.1 | Confident | 88 Ų | 88 | 41.5 Ų | 41.5 | 91% | 0.907 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 541 | V | 72.9 | Confident | 86 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | trans | -95.4 | 114.6 | 178.1 | 180 | 0 | 0 | 0 | 0 | 110.1 | K538 N539 L543 A626 | K538-V541 HydrophobicContact CB-CG2 4.46Å; K538-V541 HydrophobicContact CD-CG2 3.74Å; K538-V541 HydrophobicContact CG-CG2 3.79Å; N539-V541 VanDerWaalsContact C-N 3.29Å; N539-V541 PolarHBondContact O-N 3.42Å; V541-L543 HydrophobicContact CG1-CD2 4.17Å; V541-A626 HydrophobicContact CG1-CB 4.17Å | ||
| 542 | D | 84.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | trans | -76.7 | 118.8 | 162.9 | -168.9 | -17.8 | 0 | 0 | 0 | 109.3 | D544 P545 K552 A626 | D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 VanDerWaalsContact OD1-C 3.3Å; D542-D544 PolarHBondContact OD1-N 2.82Å; D542-P545 HydrophobicContact CB-CB 4.19Å; D542-P545 WeakPolarHBondContact O-CD 3.45Å; D542-P545 WeakPolarHBondContact OD2-CA 3.47Å; D542-K552 WeakPolarHBondContact OD1-CE 3.28Å; D542-K552 IonicContact OD1-NZ 3.4Å; D542-K552 PolarHBondContact OD1-NZ 2.94Å; D542-K552 IonicContact OD2-NZ 2.69Å; D542-K552 PolarHBondContact OD2-NZ 2.92Å; D542-A626 WeakPolarHBondContact O-CB 3.38Å | ||
| 543 | L | 86.7 | Confident | 85.7 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -73 | -21.8 | 179.6 | -54.2 | -178.9 | 0 | 0 | 0 | 113.4 | D532 R535 V541 | D532-L543 HydrophobicContact CB-CD1 4.13Å; R535-L543 HydrophobicContact CB-CD2 3.99Å; V541-L543 HydrophobicContact CG1-CD2 4.17Å |
| 544 | D | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -149.2 | 68.9 | 178.6 | -172.8 | 9.2 | 0 | 0 | 0 | 110.9 | D542 Y546 K547 L548 T549 K552 | D542-D544 VanDerWaalsContact C-N 3.31Å; D542-D544 VanDerWaalsContact OD1-C 3.3Å; D542-D544 PolarHBondContact OD1-N 2.82Å; D544-Y546 PolarHBondContact O-N 3.1Å; D544-K547 PolarHBondContact O-N 2.9Å; D544-K547 WeakPolarHBondContact OD1-CA 3.36Å; D544-K547 PolarHBondContact OD1-N 3.27Å; D544-K547 WeakPolarHBondContact OD2-CA 3.47Å; D544-L548 PolarHBondContact OD1-N 3.49Å; D544-L548 PolarHBondContact OD2-N 3.05Å; D544-T549 WeakPolarHBondContact OD2-CA 3.15Å; D544-T549 WeakPolarHBondContact OD2-CB 3.39Å; D544-T549 PolarHBondContact OD2-N 2.97Å; D544-T549 PolarHBondContact OD2-OG1 3.31Å; D544-K552 PolarHBondContact O-NZ 3.09Å | ||
| 545 | P | 89.6 | Confident | 85.5 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26 | -176.9 | 22.1 | -33.8 | 0 | 0 | 0 | 113.6 | D542 | D542-P545 HydrophobicContact CB-CB 4.19Å; D542-P545 WeakPolarHBondContact O-CD 3.45Å; D542-P545 WeakPolarHBondContact OD2-CA 3.47Å |
| 546 | Y | 89.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 30% | 0.302 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 1.1 | -176.9 | -66.8 | -65.9 | 0 | 0 | 0 | 114.2 | D544 L548 E646 R708 | D544-Y546 PolarHBondContact O-N 3.1Å; Y546-L548 PolarHBondContact O-N 3.19Å; Y546-E646 HydrophobicContact CE2-CB 4.29Å; Y546-E646 HydrophobicContact CE2-CG 4.08Å; Y546-E646 WeakPolarHBondContact CE2-OE1 3.46Å; Y546-E646 WeakPolarHBondContact CE2-OE2 3.35Å; Y546-E646 VanDerWaalsContact CZ-CD 3.43Å; Y546-E646 VanDerWaalsContact CZ-OE1 3.31Å; Y546-E646 PolarHBondContact OH-OE1 2.74Å; Y546-E646 PolarHBondContact OH-OE2 3.49Å; Y546-R708 VanDerWaalsContact CD1-CZ 3.43Å; Y546-R708 VanDerWaalsContact CD2-NE 3.34Å |
| 547 | K | 91.9 | Very high | 86.1 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | trans | 51.8 | 40.1 | -176.7 | -51.6 | 176.8 | -178 | 178.2 | 0 | 111.1 | D544 T549 K564 | D544-K547 PolarHBondContact O-N 2.9Å; D544-K547 WeakPolarHBondContact OD1-CA 3.36Å; D544-K547 PolarHBondContact OD1-N 3.27Å; D544-K547 WeakPolarHBondContact OD2-CA 3.47Å; K547-T549 PolarHBondContact O-N 3.07Å; K547-K564 PolarHBondContact O-NZ 3.41Å | ||
| 548 | L | 93.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | trans | -72.3 | -25.5 | 179.9 | -61.1 | 175.2 | 0 | 0 | 0 | 110.8 | D544 Y546 I625 P704 I705 R708 D782 | D544-L548 PolarHBondContact OD1-N 3.49Å; D544-L548 PolarHBondContact OD2-N 3.05Å; Y546-L548 PolarHBondContact O-N 3.19Å; L548-I625 HydrophobicContact CD1-CG1 4.3Å; L548-I625 HydrophobicContact CD1-CG2 4.37Å; L548-P704 HydrophobicContact CB-CB 4.5Å; L548-P704 HydrophobicContact CD2-CB 4.49Å; L548-I705 HydrophobicContact CB-CG1 4.45Å; L548-I705 HydrophobicContact CD1-CG1 4.42Å; L548-R708 HydrophobicContact CD1-CB 4.48Å; L548-D782 HydrophobicContact CD2-CB 3.76Å | ||
| 549 | T | 94 | Very high | 87.2 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -112.1 | 164.8 | -173.9 | 79.4 | 0 | 0 | 0 | 0 | 111.3 | D544 K547 R551 I625 Y701 | D544-T549 WeakPolarHBondContact OD2-CA 3.15Å; D544-T549 WeakPolarHBondContact OD2-CB 3.39Å; D544-T549 PolarHBondContact OD2-N 2.97Å; D544-T549 PolarHBondContact OD2-OG1 3.31Å; K547-T549 PolarHBondContact O-N 3.07Å; T549-R551 PolarHBondContact O-N 3.08Å; T549-R551 VanDerWaalsContact OG1-CB 3.28Å; T549-R551 WeakPolarHBondContact OG1-CB 2.99Å; T549-R551 PolarHBondContact OG1-N 2.74Å; T549-I625 HydrophobicContact CG2-CD1 3.7Å; T549-Y701 HydrophobicContact CG2-CE1 4.38Å; T549-Y701 HydrophobicContact CG2-CE2 3.93Å; T549-Y701 WeakPolarHBondContact CG2-OH 3.44Å |
| 550 | G | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -76 | -1.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K552 I553 K564 | G550-K552 PolarHBondContact O-N 3.21Å; G550-K552 VanDerWaalsContact O-N 3.08Å; G550-I553 PolarHBondContact O-N 2.95Å; G550-K564 WeakPolarHBondContact CA-O 3.27Å; G550-K564 PolarHBondContact N-O 3.41Å |
| 551 | R | 91.9 | Very high | 88.9 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -56.5 | -33 | -167.7 | -176.6 | -172.6 | -53.5 | -98.2 | 5.4 | 114.8 | D532 T549 W568 D622 Y701 | D532-R551 IonicContact OD1-CZ 2.7Å; D532-R551 IonicContact OD1-NH1 3.34Å; D532-R551 PolarHBondContact OD1-NH1 3.16Å; D532-R551 WeakPolarHBondContact OD2-CD 3.49Å; D532-R551 IonicContact OD2-CZ 2.85Å; D532-R551 IonicContact OD2-NE 2.61Å; D532-R551 IonicContact OD2-NH1 2.7Å; D532-R551 PolarHBondContact OD2-NH1 3.1Å; T549-R551 PolarHBondContact O-N 3.08Å; T549-R551 VanDerWaalsContact OG1-CB 3.28Å; T549-R551 WeakPolarHBondContact OG1-CB 2.99Å; T549-R551 PolarHBondContact OG1-N 2.74Å; R551-W568 HydrophobicContact CB-CD2 3.81Å; R551-W568 HydrophobicContact CB-CE3 3.81Å; R551-W568 HydrophobicContact CB-CH2 4.12Å; R551-W568 HydrophobicContact CB-CZ2 4.08Å; R551-W568 HydrophobicContact CB-CZ3 3.97Å; R551-W568 HydrophobicContact CG-CD2 4.33Å; R551-W568 HydrophobicContact CG-CE3 4.27Å; R551-W568 HydrophobicContact CG-CH2 3.65Å; R551-W568 HydrophobicContact CG-CZ2 3.66Å; R551-W568 HydrophobicContact CG-CZ3 3.95Å; R551-W568 VanDerWaalsContact NH2-CZ3 3.3Å; R551-D622 IonicContact CZ-OD1 2.81Å; R551-D622 IonicContact CZ-OD2 2.62Å; R551-D622 IonicContact NH2-OD1 3.93Å; R551-D622 PolarHBondContact NH2-OD1 3.14Å; R551-D622 IonicContact NH2-OD2 3.57Å; R551-D622 PolarHBondContact NH2-OD2 3.38Å; R551-Y701 PolarHBondContact NH2-OH 3.17Å |
| 552 | K | 88.8 | Confident | 89.7 | Confident | 102 Ų | 102 | 63 Ų | 63 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -97.5 | -3.9 | -177.7 | -66.4 | 178.6 | 177.4 | 174.2 | 0 | 113.8 | D542 D544 G550 | D542-K552 WeakPolarHBondContact OD1-CE 3.28Å; D542-K552 IonicContact OD1-NZ 3.4Å; D542-K552 PolarHBondContact OD1-NZ 2.94Å; D542-K552 IonicContact OD2-NZ 2.69Å; D542-K552 PolarHBondContact OD2-NZ 2.92Å; D544-K552 PolarHBondContact O-NZ 3.09Å; G550-K552 PolarHBondContact O-N 3.21Å; G550-K552 VanDerWaalsContact O-N 3.08Å |
| 553 | I | 91.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | trans | -88.5 | 114.6 | -175 | -57 | 173 | 0 | 0 | 0 | 108.2 | G550 P556 E561 K564 V565 | G550-I553 PolarHBondContact O-N 2.95Å; I553-P556 HydrophobicContact CG2-CB 4.11Å; I553-E561 HydrophobicContact CD1-CB 3.89Å; I553-E561 HydrophobicContact CD1-CG 3.83Å; I553-E561 HydrophobicContact CG2-CB 4.25Å; I553-K564 HydrophobicContact CD1-CB 4.02Å; I553-K564 HydrophobicContact CD1-CD 4.37Å; I553-V565 HydrophobicContact CB-CG2 3.65Å; I553-V565 HydrophobicContact CD1-CG2 4.27Å; I553-V565 HydrophobicContact CG2-CG2 3.53Å | ||
| 554 | K | 86.6 | Confident | 90.5 | Very high | 190 Ų | 190 | 60.1 Ų | 60.1 | 83% | 0.826 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -88.7 | -37.4 | 178.2 | -66.5 | -173 | 177.9 | -174.8 | 0 | 112.8 | ||
| 555 | T | 90.4 | Very high | 90.8 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 68% | 0.681 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -141.4 | 103.6 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 106.5 | ||
| 556 | P | 89.7 | Confident | 91 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | trans | -66.2 | 138 | 179.1 | 29.4 | -34.6 | 0 | 0 | 0 | 109.8 | I553 E561 D562 V565 | I553-P556 HydrophobicContact CG2-CB 4.11Å; P556-E561 HydrophobicContact CB-CB 3.67Å; P556-D562 WeakPolarHBondContact CB-OD1 3.43Å; P556-D562 WeakPolarHBondContact CG-OD1 3.44Å; P556-V565 HydrophobicContact CB-CG2 4.24Å; P556-V565 HydrophobicContact CG-CG2 4.36Å | ||
| 557 | T | 91.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 59.4 Ų | 59.4 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | trans | -119.5 | -8.7 | -178.4 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | E561 | T557-E561 PolarHBondContact N-OE2 2.84Å; T557-E561 PolarHBondContact OG1-OE2 3.41Å | ||
| 558 | T | 87.9 | Confident | 91.5 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -133 | 155.9 | 179 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | T560 E561 D562 | T558-T560 PolarHBondContact O-N 3.05Å; T558-T560 VanDerWaalsContact O-N 3.12Å; T558-E561 PolarHBondContact N-OE2 3.38Å; T558-E561 WeakPolarHBondContact O-CA 3.19Å; T558-E561 WeakPolarHBondContact O-CB 3.42Å; T558-E561 PolarHBondContact O-N 3.33Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.14Å; T558-E561 PolarHBondContact OG1-N 3.46Å; T558-D562 PolarHBondContact O-N 2.91Å |
| 559 | V | 86 | Confident | 91.6 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.1 | -28.1 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 112 | M563 N778 N779 | V559-M563 PolarHBondContact O-N 3.42Å; V559-N778 HydrophobicContact CG1-CB 4.22Å; V559-N779 PolarHBondContact O-ND2 3.18Å; V559-N779 PolarHBondContact O-OD1 2.8Å |
| 560 | T | 85.9 | Confident | 91.8 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.4 | -38.1 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | T558 K564 N779 | T558-T560 PolarHBondContact O-N 3.05Å; T558-T560 VanDerWaalsContact O-N 3.12Å; T560-K564 WeakPolarHBondContact O-CG 3.31Å; T560-K564 PolarHBondContact O-N 3.21Å; T560-N779 WeakPolarHBondContact CA-OD1 3.39Å; T560-N779 VanDerWaalsContact CB-OD1 3.29Å; T560-N779 WeakPolarHBondContact CB-OD1 3.44Å; T560-N779 HydrophobicContact CG2-CB 4.47Å; T560-N779 PolarHBondContact N-OD1 3.41Å; T560-N779 PolarHBondContact OG1-OD1 2.87Å |
| 561 | E | 90.7 | Very high | 92 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 174 | -71.1 | -179.8 | 156 | 0 | 0 | 111.2 | I553 P556 T557 T558 K564 V565 | I553-E561 HydrophobicContact CD1-CB 3.89Å; I553-E561 HydrophobicContact CD1-CG 3.83Å; I553-E561 HydrophobicContact CG2-CB 4.25Å; P556-E561 HydrophobicContact CB-CB 3.67Å; T557-E561 PolarHBondContact N-OE2 2.84Å; T557-E561 PolarHBondContact OG1-OE2 3.41Å; T558-E561 PolarHBondContact N-OE2 3.38Å; T558-E561 WeakPolarHBondContact O-CA 3.19Å; T558-E561 WeakPolarHBondContact O-CB 3.42Å; T558-E561 PolarHBondContact O-N 3.33Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.14Å; T558-E561 PolarHBondContact OG1-N 3.46Å; E561-K564 PolarHBondContact O-N 3.43Å; E561-V565 VanDerWaalsContact O-CG2 3.29Å; E561-V565 WeakPolarHBondContact O-CG2 3.2Å; E561-V565 PolarHBondContact O-N 3.43Å |
| 562 | D | 90.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -52 | 175.4 | -71.3 | -37.5 | 0 | 0 | 0 | 111.4 | P556 T558 K564 V565 D566 | P556-D562 WeakPolarHBondContact CB-OD1 3.43Å; P556-D562 WeakPolarHBondContact CG-OD1 3.44Å; T558-D562 PolarHBondContact O-N 2.91Å; D562-K564 VanDerWaalsContact C-N 3.29Å; D562-K564 PolarHBondContact O-N 2.84Å; D562-V565 PolarHBondContact O-N 2.96Å; D562-V565 VanDerWaalsContact O-N 3.15Å; D562-D566 PolarHBondContact O-N 2.93Å |
| 563 | M | 93.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 177.3 | -179.4 | -168.4 | 75.6 | 0 | 0 | 112.6 | V559 S567 L700 Q775 | V559-M563 PolarHBondContact O-N 3.42Å; M563-S567 PolarHBondContact O-N 2.62Å; M563-S567 VanDerWaalsContact O-N 3.16Å; M563-S567 PolarHBondContact O-OG 3.13Å; M563-L700 HydrophobicContact CG-CD1 4.34Å; M563-L700 HydrophobicContact CG-CD2 4.46Å; M563-L700 HydrophobicContact SD-CD2 4.04Å; M563-Q775 HydrophobicContact CG-CB 4.08Å; M563-Q775 HydrophobicContact SD-CB 4.07Å |
| 564 | K | 94.8 | Very high | 93 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 178.4 | -77.7 | 179.6 | 180 | 180 | 0 | 111.6 | K547 G550 I553 T560 E561 D562 S567 W568 | K547-K564 PolarHBondContact O-NZ 3.41Å; G550-K564 WeakPolarHBondContact CA-O 3.27Å; G550-K564 PolarHBondContact N-O 3.41Å; I553-K564 HydrophobicContact CD1-CB 4.02Å; I553-K564 HydrophobicContact CD1-CD 4.37Å; T560-K564 WeakPolarHBondContact O-CG 3.31Å; T560-K564 PolarHBondContact O-N 3.21Å; E561-K564 PolarHBondContact O-N 3.43Å; D562-K564 VanDerWaalsContact C-N 3.29Å; D562-K564 PolarHBondContact O-N 2.84Å; K564-S567 PolarHBondContact O-OG 2.96Å; K564-S567 VanDerWaalsContact O-OG 3.14Å; K564-W568 WeakPolarHBondContact O-CB 3.35Å; K564-W568 PolarHBondContact O-N 3.27Å |
| 565 | V | 95.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | I553 P556 E561 D562 S567 W568 D569 | I553-V565 HydrophobicContact CB-CG2 3.65Å; I553-V565 HydrophobicContact CD1-CG2 4.27Å; I553-V565 HydrophobicContact CG2-CG2 3.53Å; P556-V565 HydrophobicContact CB-CG2 4.24Å; P556-V565 HydrophobicContact CG-CG2 4.36Å; E561-V565 VanDerWaalsContact O-CG2 3.29Å; E561-V565 WeakPolarHBondContact O-CG2 3.2Å; E561-V565 PolarHBondContact O-N 3.43Å; D562-V565 PolarHBondContact O-N 2.96Å; D562-V565 VanDerWaalsContact O-N 3.15Å; V565-S567 PolarHBondContact O-N 2.95Å; V565-W568 WeakPolarHBondContact O-CB 3.44Å; V565-W568 PolarHBondContact O-N 3.17Å; V565-D569 WeakPolarHBondContact O-CB 3.43Å; V565-D569 PolarHBondContact O-N 2.82Å |
| 566 | D | 94.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 180 | -73.8 | -16.7 | 0 | 0 | 0 | 112.3 | D562 D569 H570 | D562-D566 PolarHBondContact O-N 2.93Å; D566-D569 PolarHBondContact O-N 2.97Å; D566-H570 PolarHBondContact O-N 2.98Å |
| 567 | S | 96.7 | Very high | 94 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -34.5 | 179.3 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | M563 K564 V565 H570 R571 | M563-S567 PolarHBondContact O-N 2.62Å; M563-S567 VanDerWaalsContact O-N 3.16Å; M563-S567 PolarHBondContact O-OG 3.13Å; K564-S567 PolarHBondContact O-OG 2.96Å; K564-S567 VanDerWaalsContact O-OG 3.14Å; V565-S567 PolarHBondContact O-N 2.95Å; S567-H570 PolarHBondContact O-N 3.11Å; S567-R571 PolarHBondContact O-N 3.1Å; S567-R571 VanDerWaalsContact O-N 3.07Å |
| 568 | W | 96.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 171.2 | 163.8 | -108.5 | 0 | 0 | 0 | 112.2 | I529 R551 K564 V565 H570 R571 A572 Y701 | I529-W568 HydrophobicContact CD1-CH2 3.94Å; I529-W568 HydrophobicContact CD1-CZ3 4.38Å; I529-W568 HydrophobicContact CG1-CH2 4.15Å; I529-W568 HydrophobicContact CG2-CH2 4.01Å; I529-W568 HydrophobicContact CG2-CZ2 4.35Å; R551-W568 HydrophobicContact CB-CD2 3.81Å; R551-W568 HydrophobicContact CB-CE3 3.81Å; R551-W568 HydrophobicContact CB-CH2 4.12Å; R551-W568 HydrophobicContact CB-CZ2 4.08Å; R551-W568 HydrophobicContact CB-CZ3 3.97Å; R551-W568 HydrophobicContact CG-CD2 4.33Å; R551-W568 HydrophobicContact CG-CE3 4.27Å; R551-W568 HydrophobicContact CG-CH2 3.65Å; R551-W568 HydrophobicContact CG-CZ2 3.66Å; R551-W568 HydrophobicContact CG-CZ3 3.95Å; R551-W568 VanDerWaalsContact NH2-CZ3 3.3Å; K564-W568 WeakPolarHBondContact O-CB 3.35Å; K564-W568 PolarHBondContact O-N 3.27Å; V565-W568 WeakPolarHBondContact O-CB 3.44Å; V565-W568 PolarHBondContact O-N 3.17Å; W568-H570 VanDerWaalsContact C-N 3.27Å; W568-H570 PolarHBondContact O-N 3.23Å; W568-R571 PolarHBondContact O-N 3.43Å; W568-A572 HydrophobicContact CH2-CB 4.38Å; W568-A572 HydrophobicContact CZ2-CB 4.12Å; W568-A572 VanDerWaalsContact O-CB 3.3Å; W568-A572 WeakPolarHBondContact O-CB 3.27Å; W568-A572 PolarHBondContact O-N 3.45Å; W568-Y701 HydrophobicContact CB-CE2 4.39Å; W568-Y701 AromaticContact CE3-CE2 3.97Å; W568-Y701 HydrophobicContact CE3-CE2 3.97Å |
| 569 | D | 95.9 | Very high | 94.8 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62 | -38.7 | 178.5 | -83.4 | -11.1 | 0 | 0 | 0 | 111.3 | V565 D566 A572 R573 | V565-D569 WeakPolarHBondContact O-CB 3.43Å; V565-D569 PolarHBondContact O-N 2.82Å; D566-D569 PolarHBondContact O-N 2.97Å; D569-A572 PolarHBondContact O-N 3.1Å; D569-R573 VanDerWaalsContact O-CG 3.31Å; D569-R573 WeakPolarHBondContact O-CG 3.18Å; D569-R573 PolarHBondContact O-N 3.45Å |
| 570 | H | 97.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -52.1 | 172.4 | -173.2 | 70.3 | 0 | 0 | 0 | 112.5 | D566 S567 W568 A572 R573 L574 Y618 D695 Q697 | D566-H570 PolarHBondContact O-N 2.98Å; S567-H570 PolarHBondContact O-N 3.11Å; W568-H570 VanDerWaalsContact C-N 3.27Å; W568-H570 PolarHBondContact O-N 3.23Å; H570-A572 VanDerWaalsContact C-N 3.29Å; H570-A572 PolarHBondContact O-N 2.88Å; H570-R573 PolarHBondContact ND1-NH2 2.79Å; H570-R573 VanDerWaalsContact ND1-NH2 3.16Å; H570-R573 PolarHBondContact O-N 3.24Å; H570-L574 PolarHBondContact O-N 3.5Å; H570-L574 VanDerWaalsContact O-N 3.1Å; H570-Y618 PolarHBondContact CD2-OH 2.86Å; H570-D695 IonicContact CD2-OD1 3.79Å; H570-D695 IonicContact CD2-OD2 2.62Å; H570-D695 IonicContact CE1-OD1 2.85Å; H570-D695 IonicContact CE1-OD2 3.88Å; H570-D695 VanDerWaalsContact NE2-CG 3.29Å; H570-D695 IonicContact NE2-OD1 3.15Å; H570-D695 PolarHBondContact NE2-OD1 3.14Å; H570-D695 IonicContact NE2-OD2 2.6Å; H570-D695 PolarHBondContact NE2-OD2 3Å; H570-Q697 HydrophobicContact CB-CB 3.77Å; H570-Q697 HydrophobicContact CB-CG 4.34Å; H570-Q697 WeakPolarHBondContact CD2-CB 3.42Å; H570-Q697 VanDerWaalsContact CG-CB 3.48Å |
| 571 | R | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.6 | -40.4 | 175.1 | 175.9 | -101.1 | 172.4 | -90.4 | -9 | 112.2 | S567 W568 S575 Y618 D619 D622 Y701 | S567-R571 PolarHBondContact O-N 3.1Å; S567-R571 VanDerWaalsContact O-N 3.07Å; W568-R571 PolarHBondContact O-N 3.43Å; R571-S575 PolarHBondContact NH1-OG 3.12Å; R571-S575 VanDerWaalsContact NH1-OG 3.17Å; R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 3.1Å; R571-Y618 HydrophobicContact CB-CD1 4.05Å; R571-Y618 HydrophobicContact CB-CD2 4.5Å; R571-Y618 HydrophobicContact CB-CE1 3.71Å; R571-Y618 HydrophobicContact CB-CE2 4.16Å; R571-Y618 HydrophobicContact CB-CG 4.42Å; R571-Y618 HydrophobicContact CG-CD1 3.44Å; R571-Y618 VanDerWaalsContact CG-CD1 3.44Å; R571-Y618 HydrophobicContact CG-CD2 4.03Å; R571-Y618 HydrophobicContact CG-CE1 3.66Å; R571-Y618 HydrophobicContact CG-CE2 4.19Å; R571-Y618 HydrophobicContact CG-CG 3.62Å; R571-D619 IonicContact NH2-OD1 3.02Å; R571-D619 PolarHBondContact NH2-OD1 2.89Å; R571-D619 VanDerWaalsContact NH2-OD1 3.13Å; R571-D622 IonicContact CZ-OD2 2.69Å; R571-D622 IonicContact NE-OD2 3.47Å; R571-D622 PolarHBondContact NE-OD2 3.29Å; R571-D622 IonicContact NH2-OD2 3.64Å; R571-D622 PolarHBondContact NH2-OD2 3.08Å; R571-Y701 HydrophobicContact CB-CD2 4.14Å; R571-Y701 HydrophobicContact CB-CE2 4.15Å; R571-Y701 HydrophobicContact CB-CG 4.4Å; R571-Y701 HydrophobicContact CG-CE1 4.13Å; R571-Y701 HydrophobicContact CG-CE2 4.22Å |
| 572 | A | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I529 W568 D569 H570 S575 R576 | I529-A572 HydrophobicContact CG2-CB 3.76Å; W568-A572 HydrophobicContact CH2-CB 4.38Å; W568-A572 HydrophobicContact CZ2-CB 4.12Å; W568-A572 VanDerWaalsContact O-CB 3.3Å; W568-A572 WeakPolarHBondContact O-CB 3.27Å; W568-A572 PolarHBondContact O-N 3.45Å; D569-A572 PolarHBondContact O-N 3.1Å; H570-A572 VanDerWaalsContact C-N 3.29Å; H570-A572 PolarHBondContact O-N 2.88Å; A572-S575 PolarHBondContact O-N 3.44Å; A572-R576 WeakPolarHBondContact O-CG 3.46Å; A572-R576 PolarHBondContact O-N 3.37Å; A572-R576 PolarHBondContact O-NE 3.27Å |
| 573 | R | 97.4 | Very high | 96.7 | Very high | 152 Ų | 152 | 30.8 Ų | 30.8 | 57% | 0.574 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -60.6 | -48.7 | 172.8 | -75.4 | -175.9 | -53.9 | -163.9 | 3.3 | 111.5 | D569 H570 S575 R576 E577 | D569-R573 VanDerWaalsContact O-CG 3.31Å; D569-R573 WeakPolarHBondContact O-CG 3.18Å; D569-R573 PolarHBondContact O-N 3.45Å; H570-R573 PolarHBondContact ND1-NH2 2.79Å; H570-R573 VanDerWaalsContact ND1-NH2 3.16Å; H570-R573 PolarHBondContact O-N 3.24Å; R573-S575 VanDerWaalsContact C-N 3.33Å; R573-S575 PolarHBondContact O-N 3.45Å; R573-R576 PolarHBondContact O-N 2.96Å; R573-E577 PolarHBondContact O-N 3.05Å |
| 574 | L | 98 | Very high | 96.9 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 180 | -176.2 | 64.7 | 0 | 0 | 0 | 111.6 | H570 R576 E577 I578 K611 L614 Y618 | H570-L574 PolarHBondContact O-N 3.5Å; H570-L574 VanDerWaalsContact O-N 3.1Å; L574-R576 PolarHBondContact O-N 3.23Å; L574-E577 WeakPolarHBondContact O-CB 3.37Å; L574-E577 PolarHBondContact O-N 3.18Å; L574-E577 VanDerWaalsContact O-N 3.12Å; L574-I578 HydrophobicContact CD1-CG1 3.85Å; L574-I578 HydrophobicContact CG-CG1 4.3Å; L574-I578 WeakPolarHBondContact O-CG1 3.29Å; L574-I578 PolarHBondContact O-N 2.89Å; L574-K611 HydrophobicContact CD1-CB 4.05Å; L574-K611 HydrophobicContact CD1-CD 4.15Å; L574-K611 HydrophobicContact CD1-CG 4.16Å; L574-L614 HydrophobicContact CD2-CB 3.69Å; L574-Y618 HydrophobicContact CD2-CD2 3.89Å; L574-Y618 HydrophobicContact CD2-CE2 3.74Å |
| 575 | S | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 113.1 | R571 A572 R573 G579 | R571-S575 PolarHBondContact NH1-OG 3.12Å; R571-S575 VanDerWaalsContact NH1-OG 3.17Å; R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 3.1Å; A572-S575 PolarHBondContact O-N 3.44Å; R573-S575 VanDerWaalsContact C-N 3.33Å; R573-S575 PolarHBondContact O-N 3.45Å; S575-G579 WeakPolarHBondContact O-CA 3.44Å; S575-G579 PolarHBondContact O-N 2.98Å |
| 576 | R | 95.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 28.4 Ų | 28.4 | 41% | 0.408 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.5 | -34.9 | 171 | -73.6 | -177.8 | -72.9 | -98.3 | 0.5 | 112.3 | R449 A572 R573 L574 | R449-R576 VanDerWaalsContact CZ-O 3.3Å; R449-R576 PolarHBondContact NH1-O 3.45Å; R449-R576 PolarHBondContact NH2-O 2.94Å; A572-R576 WeakPolarHBondContact O-CG 3.46Å; A572-R576 PolarHBondContact O-N 3.37Å; A572-R576 PolarHBondContact O-NE 3.27Å; R573-R576 PolarHBondContact O-N 2.96Å; L574-R576 PolarHBondContact O-N 3.23Å |
| 577 | E | 96.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 25 Ų | 25 | 35% | 0.35 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -67.7 | -45.6 | 176.3 | -171.5 | -171 | 159.2 | 0 | 0 | 112.1 | R449 R573 L574 K611 | R449-E577 PolarHBondContact NH1-O 3.23Å; R449-E577 VanDerWaalsContact NH1-O 3.12Å; R573-E577 PolarHBondContact O-N 3.05Å; L574-E577 WeakPolarHBondContact O-CB 3.37Å; L574-E577 PolarHBondContact O-N 3.18Å; L574-E577 VanDerWaalsContact O-N 3.12Å; E577-K611 WeakPolarHBondContact OE1-CD 2.88Å; E577-K611 IonicContact OE1-NZ 2.89Å; E577-K611 PolarHBondContact OE1-NZ 2.89Å; E577-K611 IonicContact OE2-NZ 3.56Å; E577-K611 PolarHBondContact OE2-NZ 3.44Å |
| 578 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -91 | -36.3 | -171 | -61.4 | -60.4 | 0 | 0 | 0 | 112.4 | Y202 R446 W512 L574 K611 A615 | Y202-I578 HydrophobicContact CD1-CD1 4.34Å; R446-I578 WeakPolarHBondContact CD-O 3.34Å; R446-I578 PolarHBondContact NE-O 3.17Å; W512-I578 HydrophobicContact CZ2-CD1 4.45Å; W512-I578 HydrophobicContact CZ2-CG2 4.22Å; W512-I578 PolarHBondContact NE1-O 2.83Å; L574-I578 HydrophobicContact CD1-CG1 3.85Å; L574-I578 HydrophobicContact CG-CG1 4.3Å; L574-I578 WeakPolarHBondContact O-CG1 3.29Å; L574-I578 PolarHBondContact O-N 2.89Å; I578-K611 HydrophobicContact CD1-CB 3.7Å; I578-K611 HydrophobicContact CD1-CD 4.36Å; I578-K611 HydrophobicContact CG1-CB 4.15Å; I578-A615 HydrophobicContact CB-CB 3.9Å; I578-A615 HydrophobicContact CG1-CB 4.19Å; I578-A615 HydrophobicContact CG2-CB 3.68Å |
| 579 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | 74.7 | -157.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S575 | S575-G579 WeakPolarHBondContact O-CA 3.44Å; S575-G579 PolarHBondContact O-N 2.98Å | ||
| 580 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.3 | 179.5 | -63.5 | 174.8 | 0 | 0 | 0 | 110.5 | Y443 W512 L513 P530 L531 V534 W661 | Y443-L580 HydrophobicContact CE1-CD1 4.05Å; W512-L580 CarbonylContact C-O 3.52Å; W512-L580 WeakPolarHBondContact CA-O 3.45Å; L513-L580 PolarHBondContact N-O 2.83Å; L513-L580 PolarHBondContact O-N 3.37Å; P530-L580 HydrophobicContact CB-CD1 4.32Å; P530-L580 HydrophobicContact CB-CD2 4.17Å; P530-L580 HydrophobicContact CB-CG 3.87Å; L531-L580 HydrophobicContact CB-CD2 4.08Å; L531-L580 HydrophobicContact CD1-CD2 4.19Å; V534-L580 HydrophobicContact CG2-CD1 3.7Å; L580-W661 HydrophobicContact CB-CD2 4.37Å; L580-W661 HydrophobicContact CB-CH2 4.02Å; L580-W661 HydrophobicContact CB-CZ2 3.73Å; L580-W661 HydrophobicContact CB-CZ3 4.42Å; L580-W661 HydrophobicContact CD1-CD2 4.07Å; L580-W661 HydrophobicContact CD1-CE3 4.06Å; L580-W661 HydrophobicContact CD1-CG 4.48Å; L580-W661 HydrophobicContact CD1-CZ3 4.46Å; L580-W661 HydrophobicContact CD2-CD2 4.41Å; L580-W661 HydrophobicContact CD2-CG 4.38Å |
| 581 | F | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.9 | 178 | 180 | -102.5 | 0 | 0 | 0 | 111.3 | I93 W512 Y583 N593 L605 I612 L616 | I93-F581 HydrophobicContact CG2-CE2 3.46Å; I93-F581 VanDerWaalsContact CG2-CE2 3.46Å; I93-F581 HydrophobicContact CG2-CZ 3.92Å; W512-F581 HydrophobicContact CB-CD2 4.1Å; W512-F581 HydrophobicContact CD2-CD2 4.14Å; W512-F581 AromaticContact CG-CD2 3.96Å; W512-F581 HydrophobicContact CG-CD2 3.96Å; F581-Y583 HydrophobicContact CD1-CD1 4.32Å; F581-Y583 AromaticContact CE1-CD1 3.52Å; F581-Y583 HydrophobicContact CE1-CD1 3.52Å; F581-Y583 HydrophobicContact CE1-CE1 4.01Å; F581-Y583 HydrophobicContact CE1-CG 4.41Å; F581-Y583 HydrophobicContact CZ-CD1 4.11Å; F581-N593 PolarHBondContact O-ND2 2.95Å; F581-L605 HydrophobicContact CE1-CD1 4.17Å; F581-I612 HydrophobicContact CB-CG2 4.08Å; F581-I612 HydrophobicContact CD1-CG2 3.27Å; F581-I612 HydrophobicContact CD2-CG2 4.2Å; F581-I612 HydrophobicContact CE1-CG2 3.67Å; F581-I612 HydrophobicContact CG-CG2 3.56Å; F581-I612 HydrophobicContact CZ-CG2 4.3Å; F581-L616 HydrophobicContact CD1-CD1 4.39Å |
| 582 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T510 V511 N593 | T510-G582 CarbonylContact C-O 3.58Å; T510-G582 VanDerWaalsContact CA-O 3.28Å; T510-G582 WeakPolarHBondContact CA-O 3.45Å; V511-G582 PolarHBondContact N-O 3.4Å; V511-G582 PolarHBondContact O-N 3.4Å; G582-N593 WeakPolarHBondContact CA-OD1 3.48Å |
| 583 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -141.1 | 147.7 | 167.1 | 63.7 | -69.5 | 0 | 0 | 0 | 110.3 | Y504 F581 Y592 N593 H598 L605 L616 M955 L958 | Y504-Y583 HydrophobicContact CD1-CD2 4.44Å; Y504-Y583 AromaticContact CE1-CD2 3.98Å; Y504-Y583 HydrophobicContact CE1-CD2 3.98Å; Y504-Y583 HydrophobicContact CE1-CE2 4.5Å; F581-Y583 HydrophobicContact CD1-CD1 4.32Å; F581-Y583 AromaticContact CE1-CD1 3.52Å; F581-Y583 HydrophobicContact CE1-CD1 3.52Å; F581-Y583 HydrophobicContact CE1-CE1 4.01Å; F581-Y583 HydrophobicContact CE1-CG 4.41Å; F581-Y583 HydrophobicContact CZ-CD1 4.11Å; Y583-Y592 CarbonylContact O-C 3.55Å; Y583-Y592 WeakPolarHBondContact O-CA 3.47Å; Y583-N593 WeakPolarHBondContact CD1-OD1 3.39Å; Y583-N593 WeakPolarHBondContact CE1-OD1 3.13Å; Y583-N593 PolarHBondContact N-OD1 3.16Å; Y583-N593 PolarHBondContact O-N 2.82Å; Y583-H598 AromaticContact CZ-ND1 3.85Å; Y583-H598 PolarHBondContact OH-CE1 3.2Å; Y583-H598 VanDerWaalsContact OH-CE1 3.28Å; Y583-H598 PolarHBondContact OH-ND1 3.2Å; Y583-L605 HydrophobicContact CE1-CD1 4.17Å; Y583-L616 HydrophobicContact CE1-CD1 3.95Å; Y583-M955 HydrophobicContact CD2-CB 4.35Å; Y583-M955 HydrophobicContact CE2-CB 3.77Å; Y583-M955 HydrophobicContact CE2-CE 4.06Å; Y583-M955 HydrophobicContact CE2-SD 4.11Å; Y583-L958 HydrophobicContact CE2-CD1 4.34Å | ||
| 584 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 155.3 | -176.4 | -61.8 | 175.1 | 0 | 0 | 0 | 110.3 | Y116 Y504 G508 M591 Y592 P656 | Y116-L584 HydrophobicContact CE2-CD1 3.88Å; Y504-L584 WeakPolarHBondContact CE1-O 3.48Å; Y504-L584 PolarHBondContact OH-O 2.63Å; G508-L584 PolarHBondContact O-N 2.79Å; L584-M591 CarbonylContact C-O 3.47Å; L584-M591 WeakPolarHBondContact CA-O 3.42Å; L584-Y592 HydrophobicContact CD2-CD1 3.81Å; L584-Y592 HydrophobicContact CD2-CD2 4.29Å; L584-Y592 HydrophobicContact CD2-CE1 3.57Å; L584-Y592 HydrophobicContact CD2-CE2 4.09Å; L584-Y592 HydrophobicContact CD2-CG 4.16Å; L584-Y592 HydrophobicContact CG-CD1 4.38Å; L584-Y592 HydrophobicContact CG-CE1 3.97Å; L584-P656 HydrophobicContact CD2-CG 4.4Å |
| 585 | E | 98.2 | Very high | 97 | Very high | 13 Ų | 13 | 13 Ų | 13 | 6% | 0.061 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -62.2 | -47.9 | 169.2 | -173.7 | 179.8 | 155.8 | 0 | 0 | 113.3 | Y504 Y589 M591 T594 V597 Y954 M955 | Y504-E585 VanDerWaalsContact OH-C 3.22Å; Y504-E585 PolarHBondContact OH-O 3.46Å; Y504-E585 VanDerWaalsContact OH-O 3.1Å; E585-Y589 HydrophobicContact CG-CD2 4.35Å; E585-Y589 VanDerWaalsContact OE1-CD2 3.28Å; E585-Y589 WeakPolarHBondContact OE1-CD2 3.28Å; E585-M591 PolarHBondContact N-O 3.04Å; E585-M591 WeakPolarHBondContact OE2-CE 3.23Å; E585-T594 WeakPolarHBondContact CB-OG1 3.36Å; E585-T594 HydrophobicContact CG-CG2 4.39Å; E585-T594 VanDerWaalsContact OE2-CB 3.27Å; E585-T594 WeakPolarHBondContact OE2-CB 3.28Å; E585-T594 WeakPolarHBondContact OE2-CG2 3.44Å; E585-T594 PolarHBondContact OE2-OG1 3.25Å; E585-V597 HydrophobicContact CG-CG2 3.94Å; E585-Y954 VanDerWaalsContact CD-OH 3.3Å; E585-Y954 HydrophobicContact CG-CD2 4.45Å; E585-Y954 HydrophobicContact CG-CE1 4.32Å; E585-Y954 HydrophobicContact CG-CE2 3.52Å; E585-Y954 VanDerWaalsContact CG-CZ 3.43Å; E585-Y954 VanDerWaalsContact CG-OH 3.3Å; E585-Y954 WeakPolarHBondContact CG-OH 3.28Å; E585-Y954 WeakPolarHBondContact O-CA 3.35Å; E585-Y954 VanDerWaalsContact O-CD2 3.28Å; E585-Y954 WeakPolarHBondContact O-CD2 3.4Å; E585-Y954 PolarHBondContact OE1-OH 2.98Å; E585-M955 VanDerWaalsContact CA-CE 3.43Å; E585-M955 HydrophobicContact CB-CE 3.96Å; E585-M955 HydrophobicContact CG-CE 4.17Å; E585-M955 PolarHBondContact O-N 2.78Å |
| 586 | G | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -163.9 | -179.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y504 E588 Y589 G953 | Y504-G586 VanDerWaalsContact OH-CA 3.23Å; Y504-G586 WeakPolarHBondContact OH-CA 3.24Å; Y504-G586 PolarHBondContact OH-N 3.43Å; G586-E588 PolarHBondContact O-N 2.99Å; G586-Y589 PolarHBondContact N-O 2.91Å; G586-Y589 CarbonylContact O-C 3.5Å; G586-Y589 PolarHBondContact O-N 3.25Å; G586-Y589 VanDerWaalsContact O-O 3.04Å; G586-G953 CarbonylContact C-O 3.54Å; G586-G953 WeakPolarHBondContact CA-O 3.34Å |
| 587 | H | 93.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 8 Ų | 8 | 5% | 0.051 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -67.3 | -23.4 | -178.2 | -63.8 | 175.1 | 0 | 0 | 0 | 113.9 | V80 Y116 Y118 D507 P952 G953 | V80-H587 HydrophobicContact CG2-CB 4.34Å; Y116-H587 HydrophobicContact CD2-CB 4.45Å; Y116-H587 AromaticContact CE1-CD2 3.51Å; Y116-H587 AromaticContact CE1-CE1 3.85Å; Y116-H587 AromaticContact CE1-CG 3.99Å; Y116-H587 AromaticContact CE1-NE2 3.39Å; Y116-H587 WeakPolarHBondContact CE1-NE2 3.29Å; Y116-H587 HydrophobicContact CE2-CB 4.24Å; Y116-H587 AromaticContact CE2-CD2 3.73Å; Y116-H587 AromaticContact CZ-CD2 3.14Å; Y116-H587 AromaticContact CZ-CG 3.82Å; Y116-H587 AromaticContact CZ-NE2 3.48Å; Y116-H587 PolarHBondContact OH-CD2 3.32Å; Y116-H587 PolarHBondContact OH-NE2 2.75Å; Y118-H587 WeakPolarHBondContact OH-CB 3.49Å; D507-H587 IonicContact OD2-CE1 3.22Å; D507-H587 PolarHBondContact OD2-CE1 3.44Å; D507-H587 IonicContact OD2-NE2 3.79Å; D507-H587 PolarHBondContact OD2-NE2 3.44Å; H587-P952 WeakPolarHBondContact CB-O 3.18Å; H587-P952 PolarHBondContact ND1-O 2.86Å; H587-G953 PolarHBondContact CD2-O 3.16Å; H587-G953 PolarHBondContact N-O 3.49Å; H587-G953 VanDerWaalsContact N-O 3.11Å |
| 588 | E | 92.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 4.4 Ų | 4.4 | 6% | 0.061 | 2% | 0.019 | C | C | . | . | S | Bend | trans | -102.1 | -19.6 | 177 | -60.3 | -179.4 | 148.1 | 0 | 0 | 113 | H79 V80 G586 C951 | H79-E588 WeakPolarHBondContact CA-OE1 3.4Å; H79-E588 WeakPolarHBondContact CB-OE1 3.26Å; H79-E588 IonicContact CG-OE1 3.84Å; H79-E588 IonicContact ND1-OE1 3.18Å; H79-E588 PolarHBondContact ND1-OE1 3.49Å; H79-E588 IonicContact ND1-OE2 3.97Å; V80-E588 HydrophobicContact CB-CG 4.28Å; V80-E588 HydrophobicContact CG2-CG 3.72Å; V80-E588 PolarHBondContact N-OE1 3.06Å; G586-E588 PolarHBondContact O-N 2.99Å; E588-C951 HydrophobicContact CB-CB 4.23Å; E588-C951 PolarHBondContact N-SG 3.27Å; E588-C951 WeakPolarHBondContact OE2-CA 3.38Å; E588-C951 PolarHBondContact OE2-N 3.24Å; E588-C951 VanDerWaalsContact OE2-N 3.1Å |
| 589 | Y | 94.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 4.4 Ų | 4.4 | 11% | 0.11 | 2% | 0.019 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 94.7 | -177 | -56.8 | -9 | 0 | 0 | 0 | 108.4 | F73 I74 E585 G586 M591 E941 C951 Y954 | F73-Y589 CarbonylContact O-C 3.58Å; F73-Y589 WeakPolarHBondContact O-CA 3.11Å; I74-Y589 HydrophobicContact CB-CD1 4.36Å; I74-Y589 HydrophobicContact CD1-CD1 4.37Å; I74-Y589 HydrophobicContact CG1-CD1 3.76Å; I74-Y589 HydrophobicContact CG1-CE1 4.42Å; I74-Y589 HydrophobicContact CG1-CG 4.12Å; I74-Y589 HydrophobicContact CG2-CD1 4.02Å; I74-Y589 HydrophobicContact CG2-CE1 4.02Å; E585-Y589 HydrophobicContact CG-CD2 4.35Å; E585-Y589 VanDerWaalsContact OE1-CD2 3.28Å; E585-Y589 WeakPolarHBondContact OE1-CD2 3.28Å; G586-Y589 PolarHBondContact N-O 2.91Å; G586-Y589 CarbonylContact O-C 3.5Å; G586-Y589 PolarHBondContact O-N 3.25Å; G586-Y589 VanDerWaalsContact O-O 3.04Å; Y589-M591 PolarHBondContact O-N 3.23Å; Y589-E941 WeakPolarHBondContact CE2-OE2 3.39Å; Y589-E941 PolarHBondContact OH-OE2 3.33Å; Y589-C951 HydrophobicContact CD1-CB 4.25Å; Y589-C951 HydrophobicContact CD2-CB 4.22Å; Y589-C951 HydrophobicContact CE1-CB 3.9Å; Y589-C951 HydrophobicContact CE2-CB 3.86Å; Y589-C951 HydrophobicContact CG-CB 4.36Å; Y589-Y954 HydrophobicContact CD2-CD2 4.47Å; Y589-Y954 AromaticContact CD2-CE2 3.54Å; Y589-Y954 HydrophobicContact CD2-CE2 3.54Å; Y589-Y954 AromaticContact CE2-CE2 3.82Å; Y589-Y954 HydrophobicContact CE2-CE2 3.82Å; Y589-Y954 HydrophobicContact CG-CE2 4.49Å |
| 590 | R | 95 | Very high | 97.5 | Very high | 18 Ų | 18 | 4.5 Ų | 4.5 | 7% | 0.068 | 2% | 0.019 | C | C | . | . | trans | -88.9 | 56.1 | -166.6 | -62.6 | 174.4 | 67.5 | -116.1 | 12.7 | 110.9 | F73 G114 D655 P656 E657 | F73-R590 PolarHBondContact O-N 2.99Å; G114-R590 PolarHBondContact O-NE 2.91Å; G114-R590 PolarHBondContact O-NH2 2.82Å; R590-D655 IonicContact NH1-OD1 2.84Å; R590-D655 PolarHBondContact NH1-OD1 3.39Å; R590-D655 VanDerWaalsContact NH1-OD1 3.15Å; R590-D655 IonicContact NH1-OD2 2.92Å; R590-D655 WeakPolarHBondContact O-CA 3.3Å; R590-D655 VanDerWaalsContact O-OD1 3.11Å; R590-P656 HydrophobicContact CB-CG 4.11Å; R590-P656 WeakPolarHBondContact O-CD 3.32Å; R590-E657 IonicContact CZ-OE1 3.51Å; R590-E657 IonicContact NH1-OE1 3.78Å; R590-E657 IonicContact NH2-OE1 2.56Å; R590-E657 PolarHBondContact NH2-OE1 3.2Å | ||
| 591 | M | 97.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.005 | 2% | 0.019 | C | C | . | . | trans | -119.9 | 128 | 178.7 | -67.4 | 171.2 | -75 | 0 | 0 | 108.3 | F73 I74 L584 E585 Y589 T594 D652 A666 Y667 | F73-M591 HydrophobicContact CB-CG 4.19Å; F73-M591 HydrophobicContact CD2-CE 4.05Å; F73-M591 HydrophobicContact CD2-CG 4.28Å; F73-M591 HydrophobicContact CD2-SD 3.67Å; F73-M591 HydrophobicContact CE2-SD 4.33Å; I74-M591 HydrophobicContact CD1-CE 3.96Å; I74-M591 HydrophobicContact CG1-CE 3.98Å; L584-M591 CarbonylContact C-O 3.47Å; L584-M591 WeakPolarHBondContact CA-O 3.42Å; E585-M591 PolarHBondContact N-O 3.04Å; E585-M591 WeakPolarHBondContact OE2-CE 3.23Å; Y589-M591 PolarHBondContact O-N 3.23Å; M591-T594 VanDerWaalsContact CB-OG1 3.22Å; M591-T594 WeakPolarHBondContact CB-OG1 3.33Å; M591-D652 HydrophobicContact CB-CB 3.81Å; M591-D652 HydrophobicContact CG-CB 4.43Å; M591-A666 HydrophobicContact CG-CB 4.12Å; M591-Y667 HydrophobicContact SD-CD2 4.27Å | ||
| 592 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 135.7 | 179.3 | -79 | -67.3 | 0 | 0 | 0 | 110.9 | G114 F436 G509 V511 Y583 L584 T594 F653 G654 P656 P660 | G114-Y592 PolarHBondContact N-OH 2.92Å; F436-Y592 HydrophobicContact CD1-CE2 4.34Å; F436-Y592 AromaticContact CE1-CE2 3.62Å; F436-Y592 HydrophobicContact CE1-CE2 3.62Å; F436-Y592 AromaticContact CE1-CZ 3.98Å; F436-Y592 HydrophobicContact CZ-CE2 4.39Å; G509-Y592 WeakPolarHBondContact O-CE1 3.26Å; V511-Y592 HydrophobicContact CG1-CE1 4.39Å; V511-Y592 HydrophobicContact CG2-CD1 4.29Å; V511-Y592 HydrophobicContact CG2-CE1 3.75Å; Y583-Y592 CarbonylContact O-C 3.55Å; Y583-Y592 WeakPolarHBondContact O-CA 3.47Å; L584-Y592 HydrophobicContact CD2-CD1 3.81Å; L584-Y592 HydrophobicContact CD2-CD2 4.29Å; L584-Y592 HydrophobicContact CD2-CE1 3.57Å; L584-Y592 HydrophobicContact CD2-CE2 4.09Å; L584-Y592 HydrophobicContact CD2-CG 4.16Å; L584-Y592 HydrophobicContact CG-CD1 4.38Å; L584-Y592 HydrophobicContact CG-CE1 3.97Å; Y592-T594 PolarHBondContact O-N 3.34Å; Y592-F653 WeakPolarHBondContact O-CB 3.35Å; Y592-F653 PolarHBondContact O-N 3.2Å; Y592-G654 PolarHBondContact N-O 3.23Å; Y592-P656 HydrophobicContact CE2-CB 3.8Å; Y592-P656 HydrophobicContact CE2-CG 4.27Å; Y592-P660 HydrophobicContact CD2-CB 3.97Å; Y592-P660 HydrophobicContact CD2-CG 3.58Å; Y592-P660 HydrophobicContact CE2-CG 3.84Å |
| 593 | N | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.7 | 174.9 | -58.5 | -15.5 | 0 | 0 | 0 | 112.5 | F581 G582 Y583 Y595 L616 F653 | F581-N593 PolarHBondContact O-ND2 2.95Å; G582-N593 WeakPolarHBondContact CA-OD1 3.48Å; Y583-N593 WeakPolarHBondContact CD1-OD1 3.39Å; Y583-N593 WeakPolarHBondContact CE1-OD1 3.13Å; Y583-N593 PolarHBondContact N-OD1 3.16Å; Y583-N593 PolarHBondContact O-N 2.82Å; N593-Y595 PolarHBondContact O-N 3.4Å; N593-L616 HydrophobicContact CB-CD1 4.28Å; N593-F653 HydrophobicContact CB-CB 4.38Å; N593-F653 HydrophobicContact CB-CD1 4.12Å; N593-F653 HydrophobicContact CB-CD2 3.95Å; N593-F653 HydrophobicContact CB-CE1 4.39Å; N593-F653 HydrophobicContact CB-CE2 4.24Å; N593-F653 HydrophobicContact CB-CG 3.89Å; N593-F653 HydrophobicContact CB-CZ 4.44Å; N593-F653 WeakPolarHBondContact ND2-CD2 3.46Å; N593-F653 VanDerWaalsContact ND2-CE2 3.34Å; N593-F653 WeakPolarHBondContact ND2-CE2 3.34Å |
| 594 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | trans | -54.2 | 113.2 | 175.5 | -57 | 0 | 0 | 0 | 0 | 110 | E585 M591 Y592 D596 V597 H598 H651 | E585-T594 WeakPolarHBondContact CB-OG1 3.36Å; E585-T594 HydrophobicContact CG-CG2 4.39Å; E585-T594 VanDerWaalsContact OE2-CB 3.27Å; E585-T594 WeakPolarHBondContact OE2-CB 3.28Å; E585-T594 WeakPolarHBondContact OE2-CG2 3.44Å; E585-T594 PolarHBondContact OE2-OG1 3.25Å; M591-T594 VanDerWaalsContact CB-OG1 3.22Å; M591-T594 WeakPolarHBondContact CB-OG1 3.33Å; Y592-T594 PolarHBondContact O-N 3.34Å; T594-D596 WeakPolarHBondContact CG2-OD1 3.38Å; T594-V597 HydrophobicContact CG2-CG2 3.66Å; T594-H598 VanDerWaalsContact O-CB 3.28Å; T594-H598 WeakPolarHBondContact O-CB 3.37Å; T594-H598 PolarHBondContact O-N 3.4Å; T594-H651 CarbonylContact C-O 3.53Å; T594-H651 VanDerWaalsContact CA-O 3.31Å; T594-H651 WeakPolarHBondContact CA-O 3.44Å; T594-H651 WeakPolarHBondContact CG2-CE1 3.44Å | ||
| 595 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -84 | -33.4 | -154.8 | -162.2 | -93.8 | 0 | 0 | 0 | 113.1 | N593 V597 H598 H599 L616 N617 C620 V649 V650 H651 F682 Q685 | N593-Y595 PolarHBondContact O-N 3.4Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.08Å; Y595-H598 AromaticContact CE2-CD2 4Å; Y595-H598 WeakPolarHBondContact O-CB 3.25Å; Y595-H598 PolarHBondContact O-N 3.47Å; Y595-H599 PolarHBondContact O-N 2.86Å; Y595-L616 HydrophobicContact CE2-CD2 4.32Å; Y595-N617 PolarHBondContact OH-OD1 3.47Å; Y595-C620 HydrophobicContact CD2-CB 4.25Å; Y595-C620 VanDerWaalsContact CD2-SG 3.53Å; Y595-C620 HydrophobicContact CE2-CB 3.78Å; Y595-C620 WeakPolarHBondContact CE2-SG 3.5Å; Y595-V649 HydrophobicContact CD1-CG1 3.69Å; Y595-V649 HydrophobicContact CE1-CG1 3.99Å; Y595-V649 HydrophobicContact CG-CG1 4.29Å; Y595-V650 WeakPolarHBondContact CB-O 3.33Å; Y595-H651 PolarHBondContact N-O 3.37Å; Y595-F682 HydrophobicContact CE1-CB 3.81Å; Y595-F682 HydrophobicContact CE1-CD2 4.27Å; Y595-F682 AromaticContact CZ-CD2 3.88Å; Y595-F682 WeakPolarHBondContact OH-CA 3.44Å; Y595-F682 VanDerWaalsContact OH-CD2 3.31Å; Y595-F682 WeakPolarHBondContact OH-CD2 3.37Å; Y595-Q685 VanDerWaalsContact CZ-NE2 3.29Å; Y595-Q685 PolarHBondContact OH-NE2 3.02Å |
| 596 | D | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 4 Ų | 4 | 3% | 0.032 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 175.9 | 70.6 | -38.7 | 0 | 0 | 0 | 111.7 | T594 H599 H651 W675 L678 K681 T734 | T594-D596 WeakPolarHBondContact CG2-OD1 3.38Å; D596-H599 VanDerWaalsContact O-CB 3.3Å; D596-H599 WeakPolarHBondContact O-CB 3.41Å; D596-H651 IonicContact OD1-NE2 3.18Å; D596-W675 HydrophobicContact CB-CZ3 4.48Å; D596-L678 HydrophobicContact CB-CD2 3.74Å; D596-K681 HydrophobicContact CB-CD 4.37Å; D596-K681 PolarHBondContact O-NZ 3.01Å; D596-T734 WeakPolarHBondContact OD2-CG2 3.46Å |
| 597 | V | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -88.7 | -24.3 | 173.6 | -79.9 | 0 | 0 | 0 | 0 | 113.6 | E585 T594 Y595 H599 Y600 A601 T734 Y954 M955 R956 | E585-V597 HydrophobicContact CG-CG2 3.94Å; T594-V597 HydrophobicContact CG2-CG2 3.66Å; Y595-V597 VanDerWaalsContact C-N 3.3Å; Y595-V597 PolarHBondContact O-N 3.08Å; V597-H599 PolarHBondContact O-N 2.9Å; V597-Y600 PolarHBondContact O-N 3.47Å; V597-Y600 VanDerWaalsContact O-N 3.1Å; V597-A601 PolarHBondContact O-N 2.57Å; V597-T734 HydrophobicContact CG1-CG2 4.49Å; V597-Y954 HydrophobicContact CG1-CE1 4.4Å; V597-M955 HydrophobicContact CB-CG 4.34Å; V597-M955 HydrophobicContact CB-SD 4.02Å; V597-M955 HydrophobicContact CG2-CE 4.1Å; V597-M955 HydrophobicContact CG2-CG 4.2Å; V597-M955 HydrophobicContact CG2-SD 3.7Å; V597-R956 HydrophobicContact CG1-CG 4.35Å |
| 598 | H | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -55.8 | -31.8 | 167.9 | -176.4 | 49.3 | 0 | 0 | 0 | 111.8 | Y583 T594 Y595 Y600 A601 S602 Q613 L616 Q685 M955 | Y583-H598 AromaticContact CZ-ND1 3.85Å; Y583-H598 PolarHBondContact OH-CE1 3.2Å; Y583-H598 VanDerWaalsContact OH-CE1 3.28Å; Y583-H598 PolarHBondContact OH-ND1 3.2Å; T594-H598 VanDerWaalsContact O-CB 3.28Å; T594-H598 WeakPolarHBondContact O-CB 3.37Å; T594-H598 PolarHBondContact O-N 3.4Å; Y595-H598 AromaticContact CE2-CD2 4Å; Y595-H598 WeakPolarHBondContact O-CB 3.25Å; Y595-H598 PolarHBondContact O-N 3.47Å; H598-Y600 PolarHBondContact O-N 3.26Å; H598-Y600 VanDerWaalsContact O-N 3.11Å; H598-A601 PolarHBondContact O-N 3.39Å; H598-A601 VanDerWaalsContact O-N 3.08Å; H598-S602 WeakPolarHBondContact CE1-CB 3.22Å; H598-S602 WeakPolarHBondContact O-CB 3.37Å; H598-S602 PolarHBondContact O-N 2.75Å; H598-S602 PolarHBondContact O-OG 2.88Å; H598-Q613 PolarHBondContact CE1-OE1 3.42Å; H598-Q613 VanDerWaalsContact CE1-OE1 3.22Å; H598-Q613 PolarHBondContact NE2-NE2 3.2Å; H598-Q613 PolarHBondContact NE2-OE1 2.85Å; H598-Q613 VanDerWaalsContact NE2-OE1 3.14Å; H598-L616 WeakPolarHBondContact NE2-CD2 3.45Å; H598-Q685 PolarHBondContact CD2-OE1 3.45Å; H598-Q685 VanDerWaalsContact CD2-OE1 3.27Å; H598-M955 HydrophobicContact CB-SD 4.47Å |
| 599 | H | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -45.6 | -41.8 | 172.6 | 176.4 | 75.2 | 0 | 0 | 0 | 113.9 | Y595 D596 V597 S602 K681 W837 F838 | Y595-H599 PolarHBondContact O-N 2.86Å; D596-H599 VanDerWaalsContact O-CB 3.3Å; D596-H599 WeakPolarHBondContact O-CB 3.41Å; V597-H599 PolarHBondContact O-N 2.9Å; H599-S602 PolarHBondContact O-OG 2.86Å; H599-K681 HydrophobicContact CB-CB 4.39Å; H599-K681 HydrophobicContact CB-CD 3.85Å; H599-K681 HydrophobicContact CB-CG 4.05Å; H599-W837 AromaticContact CD2-CZ3 3.86Å; H599-W837 AromaticContact NE2-CZ3 3.54Å; H599-F838 AromaticContact CE1-CD2 3.04Å; H599-F838 WeakPolarHBondContact CE1-CD2 3.32Å; H599-F838 AromaticContact CE1-CE2 3.48Å; H599-F838 VanDerWaalsContact CE1-CE2 3.48Å; H599-F838 WeakPolarHBondContact CE1-CE2 3.29Å; H599-F838 AromaticContact CE1-CG 3.61Å; H599-F838 AromaticContact ND1-CD2 3.63Å; H599-F838 AromaticContact ND1-CE2 3.55Å; H599-F838 AromaticContact NE2-CD2 3.53Å |
| 600 | Y | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -85.2 | -42 | 177.4 | -52.7 | -94.2 | 0 | 0 | 0 | 111.6 | V597 H598 S602 Y746 D831 W837 A900 A959 | V597-Y600 PolarHBondContact O-N 3.47Å; V597-Y600 VanDerWaalsContact O-N 3.1Å; H598-Y600 PolarHBondContact O-N 3.26Å; H598-Y600 VanDerWaalsContact O-N 3.11Å; Y600-S602 VanDerWaalsContact C-N 3.33Å; Y600-S602 PolarHBondContact O-N 2.95Å; Y600-Y746 PolarHBondContact OH-OH 2.73Å; Y600-D831 PolarHBondContact OH-OD2 2.86Å; Y600-W837 AromaticContact CD1-CH2 3.65Å; Y600-W837 HydrophobicContact CD1-CH2 3.65Å; Y600-W837 AromaticContact CD1-CZ3 3.58Å; Y600-W837 HydrophobicContact CD1-CZ3 3.58Å; Y600-W837 HydrophobicContact CE1-CH2 4.36Å; Y600-W837 AromaticContact CE1-CZ3 3.83Å; Y600-W837 HydrophobicContact CE1-CZ3 3.83Å; Y600-W837 HydrophobicContact CG-CH2 4.37Å; Y600-W837 HydrophobicContact CG-CZ3 4.46Å; Y600-A900 HydrophobicContact CD1-CB 3.86Å; Y600-A900 HydrophobicContact CD2-CB 4.24Å; Y600-A900 HydrophobicContact CG-CB 3.65Å; Y600-A959 WeakPolarHBondContact O-CA 3.46Å |
| 601 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -69.5 | -27.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | V597 H598 W603 A604 M955 L958 | V597-A601 PolarHBondContact O-N 2.57Å; H598-A601 PolarHBondContact O-N 3.39Å; H598-A601 VanDerWaalsContact O-N 3.08Å; A601-W603 PolarHBondContact O-N 3.15Å; A601-W603 VanDerWaalsContact O-N 3.1Å; A601-A604 PolarHBondContact O-N 3.46Å; A601-A604 VanDerWaalsContact O-N 3.15Å; A601-M955 HydrophobicContact CB-CB 4.11Å; A601-M955 HydrophobicContact CB-CG 4.29Å; A601-M955 WeakPolarHBondContact CB-O 3.49Å; A601-M955 HydrophobicContact CB-SD 4.07Å; A601-L958 HydrophobicContact CB-CB 3.92Å; A601-L958 HydrophobicContact CB-CD1 4.16Å; A601-L958 WeakPolarHBondContact O-CB 3.28Å |
| 602 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.2 | -16.8 | -173 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | H598 H599 Y600 A604 L605 I606 Q685 R688 | H598-S602 WeakPolarHBondContact CE1-CB 3.22Å; H598-S602 WeakPolarHBondContact O-CB 3.37Å; H598-S602 PolarHBondContact O-N 2.75Å; H598-S602 PolarHBondContact O-OG 2.88Å; H599-S602 PolarHBondContact O-OG 2.86Å; Y600-S602 VanDerWaalsContact C-N 3.33Å; Y600-S602 PolarHBondContact O-N 2.95Å; S602-A604 VanDerWaalsContact C-N 3.26Å; S602-A604 PolarHBondContact O-N 3.47Å; S602-L605 PolarHBondContact O-N 3.17Å; S602-L605 VanDerWaalsContact O-N 3.16Å; S602-I606 WeakPolarHBondContact O-CG2 3.42Å; S602-I606 PolarHBondContact O-N 2.92Å; S602-Q685 PolarHBondContact OG-OE1 2.99Å; S602-R688 PolarHBondContact OG-NH1 2.91Å; S602-R688 PolarHBondContact OG-NH2 3.4Å; S602-R688 VanDerWaalsContact OG-NH2 3.13Å |
| 603 | W | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.8 | -37.6 | 171.6 | -77.2 | 106 | 0 | 0 | 0 | 112.9 | A601 I606 K607 R688 I692 W837 F838 I841 W961 Q965 | A601-W603 PolarHBondContact O-N 3.15Å; A601-W603 VanDerWaalsContact O-N 3.1Å; W603-I606 HydrophobicContact CE3-CG2 4.16Å; W603-K607 WeakPolarHBondContact O-CB 3.32Å; W603-K607 WeakPolarHBondContact O-CG 3.39Å; W603-K607 PolarHBondContact O-N 2.87Å; W603-R688 VanDerWaalsContact CH2-CD 3.43Å; W603-R688 HydrophobicContact CH2-CG 3.85Å; W603-R688 HydrophobicContact CZ2-CG 4.3Å; W603-R688 HydrophobicContact CZ3-CG 4.31Å; W603-I692 HydrophobicContact CH2-CD1 4.39Å; W603-I692 HydrophobicContact CZ3-CD1 3.8Å; W603-W837 AromaticContact CD1-CH2 3.97Å; W603-W837 AromaticContact CD1-CZ2 3.9Å; W603-W837 AromaticContact NE1-CH2 3.64Å; W603-W837 AromaticContact NE1-CZ2 3.53Å; W603-F838 HydrophobicContact CZ2-CE2 4.39Å; W603-I841 HydrophobicContact CD2-CD1 4.14Å; W603-I841 HydrophobicContact CH2-CD1 3.82Å; W603-I841 HydrophobicContact CH2-CG1 3.8Å; W603-I841 HydrophobicContact CZ2-CD1 3.21Å; W603-I841 HydrophobicContact CZ2-CG1 3.44Å; W603-I841 VanDerWaalsContact CZ2-CG1 3.44Å; W603-I841 HydrophobicContact CZ3-CD1 4.49Å; W603-W961 HydrophobicContact CB-CB 4.09Å; W603-Q965 HydrophobicContact CE3-CB 4.13Å; W603-Q965 HydrophobicContact CE3-CG 4.1Å; W603-Q965 HydrophobicContact CH2-CG 4.04Å; W603-Q965 HydrophobicContact CZ3-CB 4.09Å; W603-Q965 HydrophobicContact CZ3-CG 3.54Å |
| 604 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L502 A601 S602 L608 L958 W961 | L502-A604 HydrophobicContact CD2-CB 3.88Å; A601-A604 PolarHBondContact O-N 3.46Å; A601-A604 VanDerWaalsContact O-N 3.15Å; S602-A604 VanDerWaalsContact C-N 3.26Å; S602-A604 PolarHBondContact O-N 3.47Å; A604-L608 WeakPolarHBondContact O-CB 3.23Å; A604-L608 WeakPolarHBondContact O-CG 3.41Å; A604-L608 PolarHBondContact O-N 3.27Å; A604-L958 HydrophobicContact CB-CB 3.84Å; A604-L958 HydrophobicContact CB-CD2 4.03Å; A604-L958 HydrophobicContact CB-CG 4.36Å; A604-W961 HydrophobicContact CB-CB 4.21Å; A604-W961 HydrophobicContact CB-CG 3.95Å |
| 605 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -70.5 | -46.2 | -179.2 | -68.1 | -174.6 | 0 | 0 | 0 | 111.8 | L505 F581 Y583 S602 K607 L608 W609 I612 Q613 | L505-L605 HydrophobicContact CD1-CD2 4.26Å; L505-L605 HydrophobicContact CD2-CD2 3.78Å; F581-L605 HydrophobicContact CE1-CD1 4.17Å; Y583-L605 HydrophobicContact CE1-CD1 4.17Å; S602-L605 PolarHBondContact O-N 3.17Å; S602-L605 VanDerWaalsContact O-N 3.16Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 2.77Å; L605-L608 PolarHBondContact O-N 3.33Å; L605-W609 HydrophobicContact CD2-CE3 4.35Å; L605-W609 CarbonylContact O-C 3.51Å; L605-W609 WeakPolarHBondContact O-CA 3.31Å; L605-W609 PolarHBondContact O-N 2.74Å; L605-I612 HydrophobicContact CD1-CG2 4.3Å; L605-I612 HydrophobicContact CD2-CG2 4.49Å; L605-Q613 HydrophobicContact CB-CB 3.98Å |
| 606 | I | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 2% | 0.015 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.4 | -35.9 | -178.4 | -165 | 57.6 | 0 | 0 | 0 | 112.2 | S602 W603 P610 Q613 D689 I692 T693 | S602-I606 WeakPolarHBondContact O-CG2 3.42Å; S602-I606 PolarHBondContact O-N 2.92Å; W603-I606 HydrophobicContact CE3-CG2 4.16Å; I606-P610 HydrophobicContact CD1-CB 4.18Å; I606-P610 WeakPolarHBondContact O-CB 3.49Å; I606-Q613 HydrophobicContact CB-CB 4.38Å; I606-Q613 HydrophobicContact CB-CG 4Å; I606-Q613 HydrophobicContact CD1-CB 4.14Å; I606-Q613 HydrophobicContact CD1-CG 3.83Å; I606-Q613 HydrophobicContact CG1-CG 4.4Å; I606-D689 HydrophobicContact CD1-CB 4.18Å; I606-I692 HydrophobicContact CG1-CB 4.23Å; I606-I692 HydrophobicContact CG1-CD1 3.96Å; I606-I692 HydrophobicContact CG1-CG2 4.06Å; I606-I692 HydrophobicContact CG2-CD1 4.06Å; I606-T693 HydrophobicContact CD1-CG2 3.79Å |
| 607 | K | 97.4 | Very high | 98.6 | Very high | 37 Ų | 37 | 7.6 Ų | 7.6 | 16% | 0.161 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -75.5 | -31.8 | 179.7 | -66.9 | -118.1 | 72.9 | 161.8 | 0 | 113.4 | W603 L605 W961 Q965 E968 | W603-K607 WeakPolarHBondContact O-CB 3.32Å; W603-K607 WeakPolarHBondContact O-CG 3.39Å; W603-K607 PolarHBondContact O-N 2.87Å; L605-K607 VanDerWaalsContact C-N 3.31Å; L605-K607 PolarHBondContact O-N 2.77Å; K607-W961 HydrophobicContact CB-CE3 4.15Å; K607-Q965 HydrophobicContact CD-CB 4.42Å; K607-E968 IonicContact NZ-OE2 3.12Å; K607-E968 PolarHBondContact NZ-OE2 3.11Å |
| 608 | L | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 7.6 Ų | 7.6 | 4% | 0.037 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -116.6 | -31.7 | -168.2 | -59.1 | 175.5 | 0 | 0 | 0 | 114.6 | P199 H200 W480 L502 A604 L605 W961 | P199-L608 CarbonylContact C-O 3.39Å; P199-L608 WeakPolarHBondContact CA-O 3.22Å; P199-L608 HydrophobicContact CB-CB 4.12Å; P199-L608 HydrophobicContact CB-CD2 4.06Å; P199-L608 WeakPolarHBondContact CB-O 3.41Å; P199-L608 HydrophobicContact CG-CB 4.34Å; P199-L608 HydrophobicContact CG-CD2 3.85Å; H200-L608 PolarHBondContact N-O 2.76Å; W480-L608 HydrophobicContact CZ2-CD1 3.9Å; W480-L608 HydrophobicContact CZ2-CD2 3.9Å; L502-L608 HydrophobicContact CD1-CD1 3.68Å; L502-L608 HydrophobicContact CD2-CD1 3.85Å; L502-L608 HydrophobicContact CG-CD1 4.42Å; A604-L608 WeakPolarHBondContact O-CB 3.23Å; A604-L608 WeakPolarHBondContact O-CG 3.41Å; A604-L608 PolarHBondContact O-N 3.27Å; L605-L608 PolarHBondContact O-N 3.33Å; L608-W961 HydrophobicContact CD1-CD2 4.15Å; L608-W961 HydrophobicContact CD1-CE3 4.38Å; L608-W961 HydrophobicContact CD1-CH2 3.92Å; L608-W961 HydrophobicContact CD1-CZ2 3.67Å; L608-W961 HydrophobicContact CD1-CZ3 4.26Å; L608-W961 HydrophobicContact CD2-CE3 4.4Å; L608-W961 HydrophobicContact CD2-CH2 3.68Å; L608-W961 HydrophobicContact CD2-CZ2 4.3Å; L608-W961 HydrophobicContact CD2-CZ3 3.73Å; L608-W961 HydrophobicContact CG-CE3 4.34Å; L608-W961 HydrophobicContact CG-CH2 4.19Å; L608-W961 HydrophobicContact CG-CZ2 4.41Å; L608-W961 HydrophobicContact CG-CZ3 4.14Å |
| 609 | W | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -136.4 | 59.1 | 178.4 | -64.3 | -80 | 0 | 0 | 0 | 110.5 | I93 V197 I198 P199 Y202 T205 L505 L605 K611 I612 Q613 | I93-W609 HydrophobicContact CD1-CD2 4.37Å; I93-W609 HydrophobicContact CD1-CE3 4.47Å; I93-W609 HydrophobicContact CD1-CH2 4.16Å; I93-W609 HydrophobicContact CD1-CZ2 4.02Å; I93-W609 HydrophobicContact CD1-CZ3 4.39Å; V197-W609 HydrophobicContact CG1-CH2 3.79Å; V197-W609 HydrophobicContact CG1-CZ2 3.58Å; I198-W609 PolarHBondContact O-NE1 3.17Å; P199-W609 HydrophobicContact CG-CZ2 4.47Å; Y202-W609 HydrophobicContact CE1-CB 3.88Å; Y202-W609 AromaticContact CE1-CD1 3.92Å; Y202-W609 HydrophobicContact CE1-CG 4.33Å; T205-W609 HydrophobicContact CG2-CZ2 4.19Å; L505-W609 HydrophobicContact CD1-CE3 3.8Å; L505-W609 HydrophobicContact CD1-CH2 4Å; L505-W609 HydrophobicContact CD1-CZ3 3.24Å; L605-W609 HydrophobicContact CD2-CE3 4.35Å; L605-W609 CarbonylContact O-C 3.51Å; L605-W609 WeakPolarHBondContact O-CA 3.31Å; L605-W609 PolarHBondContact O-N 2.74Å; W609-K611 PolarHBondContact O-N 3.3Å; W609-K611 VanDerWaalsContact O-N 3.07Å; W609-I612 HydrophobicContact CB-CB 4.18Å; W609-I612 HydrophobicContact CB-CD1 3.82Å; W609-I612 HydrophobicContact CB-CG1 4.13Å; W609-I612 HydrophobicContact CG-CD1 4.12Å; W609-I612 WeakPolarHBondContact O-CB 3.43Å; W609-I612 PolarHBondContact O-N 3.15Å; W609-Q613 PolarHBondContact O-N 2.71Å | ||
| 610 | P | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 7.7 Ų | 7.7 | 15% | 0.149 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -54.4 | -34.8 | -172.1 | 18.5 | -32.4 | 0 | 0 | 0 | 113.5 | Y202 I606 I612 Q613 L614 T693 | Y202-P610 WeakPolarHBondContact OH-CD 3.21Å; I606-P610 HydrophobicContact CD1-CB 4.18Å; I606-P610 WeakPolarHBondContact O-CB 3.49Å; P610-I612 VanDerWaalsContact C-N 3.31Å; P610-I612 PolarHBondContact O-N 2.76Å; P610-Q613 WeakPolarHBondContact O-CB 3.34Å; P610-Q613 PolarHBondContact O-N 3.34Å; P610-Q613 VanDerWaalsContact O-N 3.16Å; P610-L614 WeakPolarHBondContact O-CG 3.49Å; P610-L614 PolarHBondContact O-N 2.72Å; P610-T693 HydrophobicContact CB-CG2 4.1Å |
| 611 | K | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 7.7 Ų | 7.7 | 31% | 0.313 | 4% | 0.037 | S | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 177.3 | -65.4 | -169.3 | 177.6 | -164.6 | 0 | 113.4 | Y202 L574 E577 I578 W609 A615 | Y202-K611 HydrophobicContact CE1-CB 3.8Å; Y202-K611 HydrophobicContact CE1-CG 4.49Å; Y202-K611 HydrophobicContact CE2-CB 4.34Å; Y202-K611 HydrophobicContact CE2-CD 3.98Å; Y202-K611 HydrophobicContact CE2-CG 4.19Å; Y202-K611 PolarHBondContact OH-N 3.49Å; Y202-K611 VanDerWaalsContact OH-N 3.14Å; L574-K611 HydrophobicContact CD1-CB 4.05Å; L574-K611 HydrophobicContact CD1-CD 4.15Å; L574-K611 HydrophobicContact CD1-CG 4.16Å; E577-K611 WeakPolarHBondContact OE1-CD 2.88Å; E577-K611 IonicContact OE1-NZ 2.89Å; E577-K611 PolarHBondContact OE1-NZ 2.89Å; E577-K611 IonicContact OE2-NZ 3.56Å; E577-K611 PolarHBondContact OE2-NZ 3.44Å; I578-K611 HydrophobicContact CD1-CB 3.7Å; I578-K611 HydrophobicContact CD1-CD 4.36Å; I578-K611 HydrophobicContact CG1-CB 4.15Å; W609-K611 PolarHBondContact O-N 3.3Å; W609-K611 VanDerWaalsContact O-N 3.07Å; K611-A615 VanDerWaalsContact O-CB 3.27Å; K611-A615 WeakPolarHBondContact O-CB 3.38Å; K611-A615 PolarHBondContact O-N 2.84Å |
| 612 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 173.5 | -64.9 | 177.6 | 0 | 0 | 0 | 109.3 | Y202 W512 F581 L605 W609 P610 A615 L616 | Y202-I612 HydrophobicContact CD1-CD1 4.21Å; Y202-I612 HydrophobicContact CD1-CG1 3.99Å; Y202-I612 HydrophobicContact CE1-CD1 4.41Å; Y202-I612 HydrophobicContact CE1-CG1 3.97Å; W512-I612 HydrophobicContact CE3-CD1 4.45Å; W512-I612 HydrophobicContact CH2-CD1 3.5Å; W512-I612 HydrophobicContact CH2-CG1 4Å; W512-I612 HydrophobicContact CZ2-CD1 3.81Å; W512-I612 HydrophobicContact CZ2-CG1 3.85Å; W512-I612 HydrophobicContact CZ3-CD1 3.83Å; F581-I612 HydrophobicContact CB-CG2 4.08Å; F581-I612 HydrophobicContact CD1-CG2 3.27Å; F581-I612 HydrophobicContact CD2-CG2 4.2Å; F581-I612 HydrophobicContact CE1-CG2 3.67Å; F581-I612 HydrophobicContact CG-CG2 3.56Å; F581-I612 HydrophobicContact CZ-CG2 4.3Å; L605-I612 HydrophobicContact CD1-CG2 4.3Å; L605-I612 HydrophobicContact CD2-CG2 4.49Å; W609-I612 HydrophobicContact CB-CB 4.18Å; W609-I612 HydrophobicContact CB-CD1 3.82Å; W609-I612 HydrophobicContact CB-CG1 4.13Å; W609-I612 HydrophobicContact CG-CD1 4.12Å; W609-I612 WeakPolarHBondContact O-CB 3.43Å; W609-I612 PolarHBondContact O-N 3.15Å; P610-I612 VanDerWaalsContact C-N 3.31Å; P610-I612 PolarHBondContact O-N 2.76Å; I612-A615 PolarHBondContact O-N 3.35Å; I612-L616 WeakPolarHBondContact O-CB 2.99Å; I612-L616 PolarHBondContact O-N 2.89Å |
| 613 | Q | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 176.8 | 176.9 | 60 | 29.3 | 0 | 0 | 111.5 | H598 L605 I606 W609 P610 A615 L616 N617 D689 | H598-Q613 PolarHBondContact CE1-OE1 3.42Å; H598-Q613 VanDerWaalsContact CE1-OE1 3.22Å; H598-Q613 PolarHBondContact NE2-NE2 3.2Å; H598-Q613 PolarHBondContact NE2-OE1 2.85Å; H598-Q613 VanDerWaalsContact NE2-OE1 3.14Å; L605-Q613 HydrophobicContact CB-CB 3.98Å; I606-Q613 HydrophobicContact CB-CB 4.38Å; I606-Q613 HydrophobicContact CB-CG 4Å; I606-Q613 HydrophobicContact CD1-CB 4.14Å; I606-Q613 HydrophobicContact CD1-CG 3.83Å; I606-Q613 HydrophobicContact CG1-CG 4.4Å; W609-Q613 PolarHBondContact O-N 2.71Å; P610-Q613 WeakPolarHBondContact O-CB 3.34Å; P610-Q613 PolarHBondContact O-N 3.34Å; P610-Q613 VanDerWaalsContact O-N 3.16Å; Q613-A615 PolarHBondContact O-N 2.53Å; Q613-L616 PolarHBondContact O-N 2.89Å; Q613-N617 WeakPolarHBondContact O-CB 3.43Å; Q613-N617 PolarHBondContact O-N 3.37Å; Q613-D689 WeakPolarHBondContact CG-OD2 3.04Å; Q613-D689 PolarHBondContact NE2-OD2 2.76Å |
| 614 | L | 98.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 8.1 Ų | 8.1 | 5% | 0.047 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 179.5 | -66 | -177.9 | 0 | 0 | 0 | 111.8 | L574 P610 N617 Y618 D689 T693 Y698 | L574-L614 HydrophobicContact CD2-CB 3.69Å; P610-L614 WeakPolarHBondContact O-CG 3.49Å; P610-L614 PolarHBondContact O-N 2.72Å; L614-N617 PolarHBondContact O-N 3.07Å; L614-Y618 WeakPolarHBondContact O-CB 3.29Å; L614-Y618 WeakPolarHBondContact O-CD2 3.11Å; L614-Y618 PolarHBondContact O-N 2.94Å; L614-D689 HydrophobicContact CD2-CB 3.81Å; L614-T693 HydrophobicContact CD1-CG2 4.14Å; L614-T693 HydrophobicContact CD2-CG2 4.3Å; L614-T693 HydrophobicContact CG-CG2 4.41Å; L614-Y698 HydrophobicContact CB-CD2 4.4Å; L614-Y698 HydrophobicContact CB-CE2 4.36Å; L614-Y698 HydrophobicContact CD2-CD1 4.37Å; L614-Y698 HydrophobicContact CD2-CD2 3.74Å; L614-Y698 HydrophobicContact CD2-CE1 4.24Å; L614-Y698 HydrophobicContact CD2-CE2 3.61Å; L614-Y698 HydrophobicContact CD2-CG 4.14Å; L614-Y698 HydrophobicContact CG-CD2 4.5Å |
| 615 | A | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 3% | 0.033 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I578 K611 I612 Q613 N617 Y618 D619 | I578-A615 HydrophobicContact CB-CB 3.9Å; I578-A615 HydrophobicContact CG1-CB 4.19Å; I578-A615 HydrophobicContact CG2-CB 3.68Å; K611-A615 VanDerWaalsContact O-CB 3.27Å; K611-A615 WeakPolarHBondContact O-CB 3.38Å; K611-A615 PolarHBondContact O-N 2.84Å; I612-A615 PolarHBondContact O-N 3.35Å; Q613-A615 PolarHBondContact O-N 2.53Å; A615-N617 VanDerWaalsContact C-N 3.31Å; A615-N617 PolarHBondContact O-N 2.82Å; A615-Y618 PolarHBondContact O-N 2.92Å; A615-D619 PolarHBondContact O-N 3.03Å |
| 616 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 175.2 | -177.6 | 160.3 | 0 | 0 | 0 | 110.8 | F581 Y583 N593 Y595 H598 I612 Q613 D619 C620 F653 | F581-L616 HydrophobicContact CD1-CD1 4.39Å; Y583-L616 HydrophobicContact CE1-CD1 3.95Å; N593-L616 HydrophobicContact CB-CD1 4.28Å; Y595-L616 HydrophobicContact CE2-CD2 4.32Å; H598-L616 WeakPolarHBondContact NE2-CD2 3.45Å; I612-L616 WeakPolarHBondContact O-CB 2.99Å; I612-L616 PolarHBondContact O-N 2.89Å; Q613-L616 PolarHBondContact O-N 2.89Å; L616-D619 PolarHBondContact O-N 2.71Å; L616-C620 PolarHBondContact O-N 2.77Å; L616-F653 HydrophobicContact CD2-CZ 4.42Å; L616-F653 HydrophobicContact CG-CE2 4.5Å |
| 617 | N | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.2 | -34.3 | -176.9 | -148.7 | 25 | 0 | 0 | 0 | 112.6 | Y595 Q613 L614 A615 C620 A621 D689 Y698 M702 | Y595-N617 PolarHBondContact OH-OD1 3.47Å; Q613-N617 WeakPolarHBondContact O-CB 3.43Å; Q613-N617 PolarHBondContact O-N 3.37Å; L614-N617 PolarHBondContact O-N 3.07Å; A615-N617 VanDerWaalsContact C-N 3.31Å; A615-N617 PolarHBondContact O-N 2.82Å; N617-C620 WeakPolarHBondContact O-CB 3.47Å; N617-C620 PolarHBondContact O-N 2.94Å; N617-A621 PolarHBondContact O-N 2.86Å; N617-D689 PolarHBondContact ND2-OD2 3.06Å; N617-Y698 PolarHBondContact ND2-OH 2.85Å; N617-M702 HydrophobicContact CB-CE 4.42Å; N617-M702 WeakPolarHBondContact O-CE 3.12Å |
| 618 | Y | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 167.1 | -83 | -53.4 | 0 | 0 | 0 | 112.2 | H570 R571 L574 L614 A615 C620 A621 D622 Y698 Y701 M702 | H570-Y618 PolarHBondContact CD2-OH 2.86Å; R571-Y618 HydrophobicContact CB-CD1 4.05Å; R571-Y618 HydrophobicContact CB-CD2 4.5Å; R571-Y618 HydrophobicContact CB-CE1 3.71Å; R571-Y618 HydrophobicContact CB-CE2 4.16Å; R571-Y618 HydrophobicContact CB-CG 4.42Å; R571-Y618 HydrophobicContact CG-CD1 3.44Å; R571-Y618 VanDerWaalsContact CG-CD1 3.44Å; R571-Y618 HydrophobicContact CG-CD2 4.03Å; R571-Y618 HydrophobicContact CG-CE1 3.66Å; R571-Y618 HydrophobicContact CG-CE2 4.19Å; R571-Y618 HydrophobicContact CG-CG 3.62Å; L574-Y618 HydrophobicContact CD2-CD2 3.89Å; L574-Y618 HydrophobicContact CD2-CE2 3.74Å; L614-Y618 WeakPolarHBondContact O-CB 3.29Å; L614-Y618 WeakPolarHBondContact O-CD2 3.11Å; L614-Y618 PolarHBondContact O-N 2.94Å; A615-Y618 PolarHBondContact O-N 2.92Å; Y618-C620 VanDerWaalsContact C-N 3.28Å; Y618-C620 PolarHBondContact O-N 3.06Å; Y618-A621 WeakPolarHBondContact O-CB 3.23Å; Y618-A621 PolarHBondContact O-N 3.26Å; Y618-D622 PolarHBondContact O-N 3.31Å; Y618-Y698 HydrophobicContact CD1-CD2 4.23Å; Y618-Y698 HydrophobicContact CD1-CE2 4.32Å; Y618-Y698 HydrophobicContact CD2-CD2 4.08Å; Y618-Y698 HydrophobicContact CD2-CE2 4.31Å; Y618-Y698 AromaticContact CE1-CD2 3.67Å; Y618-Y698 HydrophobicContact CE1-CD2 3.67Å; Y618-Y698 HydrophobicContact CE1-CE2 4.18Å; Y618-Y698 HydrophobicContact CE1-CG 4.45Å; Y618-Y698 AromaticContact CE2-CD2 3.54Å; Y618-Y698 HydrophobicContact CE2-CD2 3.54Å; Y618-Y698 HydrophobicContact CE2-CE2 4.21Å; Y618-Y698 HydrophobicContact CG-CD2 4.43Å; Y618-Y698 HydrophobicContact CG-CE2 4.39Å; Y618-Y698 AromaticContact CZ-CD2 3.33Å; Y618-Y698 WeakPolarHBondContact OH-CA 3.4Å; Y618-Y698 WeakPolarHBondContact OH-CB 3.31Å; Y618-Y701 AromaticContact CD1-CD1 3.57Å; Y618-Y701 HydrophobicContact CD1-CD1 3.57Å; Y618-Y701 AromaticContact CD1-CE1 3.84Å; Y618-Y701 HydrophobicContact CD1-CE1 3.84Å; Y618-Y701 HydrophobicContact CD1-CG 4.32Å; Y618-Y701 AromaticContact CE1-CD1 3.41Å; Y618-Y701 HydrophobicContact CE1-CD1 3.41Å; Y618-Y701 VanDerWaalsContact CE1-CD1 3.41Å; Y618-Y701 HydrophobicContact CE1-CE1 4.1Å; Y618-Y701 AromaticContact CE1-CG 3.73Å; Y618-Y701 HydrophobicContact CE1-CG 3.73Å; Y618-M702 HydrophobicContact CD1-CE 3.47Å; Y618-M702 VanDerWaalsContact CD1-CE 3.47Å; Y618-M702 HydrophobicContact CD1-SD 4.34Å; Y618-M702 HydrophobicContact CE1-CE 4.03Å; Y618-M702 HydrophobicContact CG-CE 4.04Å |
| 619 | D | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.011 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 177.4 | -69.4 | -14 | 0 | 0 | 0 | 110.6 | L531 R571 A615 L616 A621 D622 L623 F653 | L531-D619 HydrophobicContact CD1-CB 4.34Å; L531-D619 HydrophobicContact CD2-CB 4.06Å; R571-D619 IonicContact NH2-OD1 3.02Å; R571-D619 PolarHBondContact NH2-OD1 2.89Å; R571-D619 VanDerWaalsContact NH2-OD1 3.13Å; A615-D619 PolarHBondContact O-N 3.03Å; L616-D619 PolarHBondContact O-N 2.71Å; D619-A621 PolarHBondContact O-N 3.04Å; D619-D622 PolarHBondContact O-N 2.77Å; D619-L623 WeakPolarHBondContact O-CB 3.21Å; D619-L623 WeakPolarHBondContact O-CG 3.27Å; D619-L623 PolarHBondContact O-N 3.1Å; D619-F653 HydrophobicContact CB-CE2 3.99Å; D619-F653 HydrophobicContact CB-CZ 4.32Å |
| 620 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | Y595 L616 N617 Y618 D622 L623 T624 F653 F682 | Y595-C620 HydrophobicContact CD2-CB 4.25Å; Y595-C620 VanDerWaalsContact CD2-SG 3.53Å; Y595-C620 HydrophobicContact CE2-CB 3.78Å; Y595-C620 WeakPolarHBondContact CE2-SG 3.5Å; L616-C620 PolarHBondContact O-N 2.77Å; N617-C620 WeakPolarHBondContact O-CB 3.47Å; N617-C620 PolarHBondContact O-N 2.94Å; Y618-C620 VanDerWaalsContact C-N 3.28Å; Y618-C620 PolarHBondContact O-N 3.06Å; C620-D622 VanDerWaalsContact C-N 3.33Å; C620-D622 PolarHBondContact O-N 2.81Å; C620-L623 PolarHBondContact O-N 2.88Å; C620-T624 VanDerWaalsContact O-CB 3.29Å; C620-T624 WeakPolarHBondContact O-CB 3.3Å; C620-T624 PolarHBondContact O-N 3.28Å; C620-T624 PolarHBondContact O-OG1 3.01Å; C620-F653 HydrophobicContact CB-CE1 3.93Å; C620-F653 HydrophobicContact CB-CZ 3.76Å; C620-F682 HydrophobicContact CB-CE2 4.39Å |
| 621 | A | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N617 Y618 D619 L623 T624 I625 F682 M702 I705 | N617-A621 PolarHBondContact O-N 2.86Å; Y618-A621 WeakPolarHBondContact O-CB 3.23Å; Y618-A621 PolarHBondContact O-N 3.26Å; D619-A621 PolarHBondContact O-N 3.04Å; A621-L623 PolarHBondContact O-N 3.21Å; A621-T624 WeakPolarHBondContact O-CB 3.39Å; A621-T624 PolarHBondContact O-N 2.67Å; A621-T624 VanDerWaalsContact O-N 3.13Å; A621-I625 WeakPolarHBondContact O-CG1 3.28Å; A621-I625 PolarHBondContact O-N 3.13Å; A621-F682 HydrophobicContact CB-CE2 3.92Å; A621-F682 HydrophobicContact CB-CZ 3.65Å; A621-M702 HydrophobicContact CB-CE 3.91Å; A621-M702 HydrophobicContact CB-SD 3.56Å; A621-M702 VanDerWaalsContact CB-SD 3.56Å; A621-I705 HydrophobicContact CB-CD1 3.94Å |
| 622 | D | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | 179.2 | -71.2 | -33 | 0 | 0 | 0 | 114.1 | L531 R535 R551 R571 Y618 D619 C620 T624 Y701 | L531-D622 HydrophobicContact CD2-CB 3.52Å; R535-D622 PolarHBondContact NH1-O 3.45Å; R551-D622 IonicContact CZ-OD1 2.81Å; R551-D622 IonicContact CZ-OD2 2.62Å; R551-D622 IonicContact NH2-OD1 3.93Å; R551-D622 PolarHBondContact NH2-OD1 3.14Å; R551-D622 IonicContact NH2-OD2 3.57Å; R551-D622 PolarHBondContact NH2-OD2 3.38Å; R571-D622 IonicContact CZ-OD2 2.69Å; R571-D622 IonicContact NE-OD2 3.47Å; R571-D622 PolarHBondContact NE-OD2 3.29Å; R571-D622 IonicContact NH2-OD2 3.64Å; R571-D622 PolarHBondContact NH2-OD2 3.08Å; Y618-D622 PolarHBondContact O-N 3.31Å; D619-D622 PolarHBondContact O-N 2.77Å; C620-D622 VanDerWaalsContact C-N 3.33Å; C620-D622 PolarHBondContact O-N 2.81Å; D622-T624 VanDerWaalsContact C-N 3.32Å; D622-Y701 PolarHBondContact OD1-OH 2.77Å |
| 623 | L | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.4 | -32.2 | 172.7 | -67.6 | 171.8 | 0 | 0 | 0 | 111.3 | L531 D619 C620 A621 V650 F653 W661 T664 | L531-L623 HydrophobicContact CD1-CD2 4.44Å; D619-L623 WeakPolarHBondContact O-CB 3.21Å; D619-L623 WeakPolarHBondContact O-CG 3.27Å; D619-L623 PolarHBondContact O-N 3.1Å; C620-L623 PolarHBondContact O-N 2.88Å; A621-L623 PolarHBondContact O-N 3.21Å; L623-V650 HydrophobicContact CB-CG1 4.09Å; L623-V650 HydrophobicContact CB-CG2 4.15Å; L623-V650 HydrophobicContact CD1-CG2 4.38Å; L623-F653 HydrophobicContact CD1-CD1 3.72Å; L623-F653 HydrophobicContact CD1-CD2 4.07Å; L623-F653 HydrophobicContact CD1-CE1 3.79Å; L623-F653 HydrophobicContact CD1-CE2 4.12Å; L623-F653 HydrophobicContact CD1-CG 3.88Å; L623-F653 HydrophobicContact CD1-CZ 3.99Å; L623-W661 WeakPolarHBondContact CD2-O 3.39Å; L623-T664 HydrophobicContact CD1-CG2 3.83Å; L623-T664 HydrophobicContact CD2-CG2 3.75Å; L623-T664 HydrophobicContact CG-CG2 4.22Å |
| 624 | T | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.2 | -38.6 | -179.9 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | C620 A621 D622 A626 C647 V649 I709 | C620-T624 VanDerWaalsContact O-CB 3.29Å; C620-T624 WeakPolarHBondContact O-CB 3.3Å; C620-T624 PolarHBondContact O-N 3.28Å; C620-T624 PolarHBondContact O-OG1 3.01Å; A621-T624 WeakPolarHBondContact O-CB 3.39Å; A621-T624 PolarHBondContact O-N 2.67Å; A621-T624 VanDerWaalsContact O-N 3.13Å; D622-T624 VanDerWaalsContact C-N 3.32Å; T624-A626 VanDerWaalsContact C-N 3.32Å; T624-A626 PolarHBondContact O-N 3.03Å; T624-C647 WeakPolarHBondContact O-CA 3.3Å; T624-C647 PolarHBondContact O-N 2.92Å; T624-V649 HydrophobicContact CG2-CB 4.43Å; T624-V649 HydrophobicContact CG2-CG2 3.74Å; T624-V649 WeakPolarHBondContact OG1-CA 3.33Å; T624-I709 HydrophobicContact CG2-CD1 3.61Å; T624-I709 HydrophobicContact CG2-CG1 4.18Å |
| 625 | I | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | -176.4 | -67.5 | 163.3 | 0 | 0 | 0 | 112.2 | L548 T549 A621 I705 | L548-I625 HydrophobicContact CD1-CG1 4.3Å; L548-I625 HydrophobicContact CD1-CG2 4.37Å; T549-I625 HydrophobicContact CG2-CD1 3.7Å; A621-I625 WeakPolarHBondContact O-CG1 3.28Å; A621-I625 PolarHBondContact O-N 3.13Å; I625-I705 HydrophobicContact CD1-CD1 3.69Å; I625-I705 HydrophobicContact CD1-CG1 3.93Å; I625-I705 HydrophobicContact CG1-CD1 4.28Å; I625-I705 HydrophobicContact CG1-CG1 4.18Å; I625-I705 HydrophobicContact CG1-CG2 4.06Å |
| 626 | A | 88.1 | Confident | 94 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -83.2 | 145.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V541 D542 T624 | V541-A626 HydrophobicContact CG1-CB 4.17Å; D542-A626 WeakPolarHBondContact O-CB 3.38Å; T624-A626 VanDerWaalsContact C-N 3.32Å; T624-A626 PolarHBondContact O-N 3.03Å |
| 627 | E | 89.1 | Confident | 93.5 | Very high | 74 Ų | 74 | 23.2 Ų | 23.2 | 35% | 0.346 | 13% | 0.134 | S | C | . | . | trans | -76.9 | 145.5 | 165.2 | -165.9 | 175.1 | 94.9 | 0 | 0 | 110.7 | S629 S644 E646 | E627-S629 PolarHBondContact OE1-OG 2.82Å; E627-S644 WeakPolarHBondContact CG-O 3.31Å; E627-E646 HydrophobicContact CB-CB 4.03Å | ||
| 628 | D | 88.6 | Confident | 93.1 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 89.8 | 165.7 | -168.7 | -11.3 | 0 | 0 | 0 | 110.6 | K538 T630 R643 S644 | K538-D628 IonicContact NZ-OD1 3.19Å; K538-D628 PolarHBondContact NZ-OD1 3.14Å; K538-D628 IonicContact NZ-OD2 3.85Å; K538-D628 PolarHBondContact NZ-OD2 3.25Å; D628-T630 PolarHBondContact O-N 2.93Å; D628-T630 VanDerWaalsContact O-N 3.14Å; D628-T630 WeakPolarHBondContact OD1-CB 3.48Å; D628-T630 PolarHBondContact OD1-N 3.09Å; D628-T630 PolarHBondContact OD1-OG1 3.41Å; D628-R643 HydrophobicContact CB-CB 4.19Å; D628-R643 WeakPolarHBondContact O-CB 3.26Å; D628-R643 PolarHBondContact O-N 3.41Å; D628-R643 VanDerWaalsContact O-N 3.1Å; D628-R643 WeakPolarHBondContact OD2-CD 3.31Å; D628-S644 CarbonylContact C-O 3.57Å; D628-S644 PolarHBondContact N-O 2.9Å; D628-S644 PolarHBondContact O-N 3.28Å |
| 629 | S | 89 | Confident | 92.9 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 42% | 0.42 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 6.4 | -178.5 | -19.3 | 0 | 0 | 0 | 0 | 113.3 | E627 S631 F642 | E627-S629 PolarHBondContact OE1-OG 2.82Å; S629-S631 PolarHBondContact O-N 3.43Å; S629-F642 WeakPolarHBondContact O-CD1 3.26Å |
| 630 | T | 89.7 | Confident | 92.7 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 127.6 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | D628 V632 R643 | D628-T630 PolarHBondContact O-N 2.93Å; D628-T630 VanDerWaalsContact O-N 3.14Å; D628-T630 WeakPolarHBondContact OD1-CB 3.48Å; D628-T630 PolarHBondContact OD1-N 3.09Å; D628-T630 PolarHBondContact OD1-OG1 3.41Å; T630-V632 PolarHBondContact O-N 3.1Å; T630-R643 PolarHBondContact O-N 2.86Å |
| 631 | S | 92.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.8 | 179.6 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | S629 L641 | S629-S631 PolarHBondContact O-N 3.43Å; S631-L641 CarbonylContact C-O 3.59Å; S631-L641 WeakPolarHBondContact CA-O 3.16Å |
| 632 | V | 92.1 | Very high | 92 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.8 | -179.8 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | T630 Y634 A640 L641 R643 I668 | T630-V632 PolarHBondContact O-N 3.1Å; V632-Y634 HydrophobicContact CB-CE2 4.05Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.35Å; V632-Y634 HydrophobicContact CG1-CE2 4.08Å; V632-Y634 WeakPolarHBondContact O-CD2 3.29Å; V632-Y634 PolarHBondContact O-N 3.32Å; V632-A640 CarbonylContact O-C 3.58Å; V632-A640 VanDerWaalsContact O-CA 3.3Å; V632-A640 WeakPolarHBondContact O-CA 3.18Å; V632-L641 PolarHBondContact N-O 3.43Å; V632-L641 PolarHBondContact O-N 3.16Å; V632-R643 HydrophobicContact CG2-CB 3.66Å; V632-R643 HydrophobicContact CG2-CG 4.03Å; V632-I668 HydrophobicContact CG1-CB 4.09Å; V632-I668 HydrophobicContact CG1-CG2 3.45Å; V632-I668 VanDerWaalsContact CG1-CG2 3.45Å |
| 633 | Y | 93.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111.1 | 173.3 | -178.5 | -95.9 | 0 | 0 | 0 | 110.5 | R55 Q59 G638 | R55-Y633 WeakPolarHBondContact CD-OH 3.34Å; Q59-Y633 HydrophobicContact CB-CD1 4.45Å; Q59-Y633 HydrophobicContact CB-CE1 3.85Å; Q59-Y633 HydrophobicContact CG-CE1 4.18Å; Y633-G638 WeakPolarHBondContact CE2-O 3.45Å; Y633-G638 WeakPolarHBondContact OH-CA 3.33Å |
| 634 | Y | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.6 | 177.6 | -72 | -80.6 | 0 | 0 | 0 | 111.5 | V632 G636 N637 G638 K639 L641 F642 R643 I668 F670 P671 | V632-Y634 HydrophobicContact CB-CE2 4.05Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.35Å; V632-Y634 HydrophobicContact CG1-CE2 4.08Å; V632-Y634 WeakPolarHBondContact O-CD2 3.29Å; V632-Y634 PolarHBondContact O-N 3.32Å; Y634-G636 PolarHBondContact O-N 3.15Å; Y634-N637 WeakPolarHBondContact CB-OD1 3.34Å; Y634-N637 PolarHBondContact O-OD1 2.9Å; Y634-G638 VanDerWaalsContact O-CA 3.25Å; Y634-G638 WeakPolarHBondContact O-CA 3.37Å; Y634-G638 PolarHBondContact O-N 2.72Å; Y634-K639 PolarHBondContact N-O 3.07Å; Y634-L641 HydrophobicContact CD2-CB 3.92Å; Y634-L641 HydrophobicContact CD2-CD1 4.23Å; Y634-L641 HydrophobicContact CD2-CG 4.39Å; Y634-L641 HydrophobicContact CE2-CB 3.89Å; Y634-F642 PolarHBondContact OH-O 3.17Å; Y634-R643 WeakPolarHBondContact OH-CA 3.37Å; Y634-R643 PolarHBondContact OH-O 3.44Å; Y634-I668 WeakPolarHBondContact CA-O 3.45Å; Y634-I668 HydrophobicContact CD1-CB 4.33Å; Y634-I668 HydrophobicContact CE1-CB 4.47Å; Y634-F670 WeakPolarHBondContact CD1-O 3.45Å; Y634-F670 VanDerWaalsContact CE1-O 3.31Å; Y634-F670 WeakPolarHBondContact CE1-O 3.43Å; Y634-P671 HydrophobicContact CD1-CB 4.41Å; Y634-P671 HydrophobicContact CD1-CG 3.98Å; Y634-P671 VanDerWaalsContact CD1-N 3.32Å; Y634-P671 HydrophobicContact CD2-CB 4.46Å; Y634-P671 HydrophobicContact CD2-CG 3.83Å; Y634-P671 VanDerWaalsContact CE1-CA 3.4Å; Y634-P671 HydrophobicContact CE1-CB 4.18Å; Y634-P671 HydrophobicContact CE1-CG 4.24Å; Y634-P671 HydrophobicContact CE2-CB 4.21Å; Y634-P671 HydrophobicContact CE2-CG 4.08Å; Y634-P671 HydrophobicContact CG-CG 3.75Å |
| 635 | I | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -35.5 | -169.7 | -60.1 | 170.7 | 0 | 0 | 0 | 111.4 | M52 R55 Y56 F60 I668 M669 | M52-I635 HydrophobicContact CG-CG2 4.03Å; R55-I635 HydrophobicContact CB-CG2 3.86Å; R55-I635 WeakPolarHBondContact CD-O 3.42Å; R55-I635 PolarHBondContact NE-O 2.83Å; Y56-I635 HydrophobicContact CD2-CD1 4.05Å; F60-I635 HydrophobicContact CB-CD1 3.56Å; F60-I635 HydrophobicContact CB-CG1 4.27Å; F60-I635 HydrophobicContact CD1-CD1 3.99Å; F60-I635 HydrophobicContact CD2-CD1 4.17Å; F60-I635 HydrophobicContact CG-CD1 3.64Å; I635-I668 HydrophobicContact CD1-CD1 4.21Å; I635-I668 HydrophobicContact CD1-CG1 4.13Å; I635-I668 HydrophobicContact CG1-CD1 4.46Å; I635-I668 HydrophobicContact CG1-CG1 4.49Å; I635-I668 PolarHBondContact N-O 2.86Å; I635-M669 HydrophobicContact CB-SD 4.21Å; I635-M669 HydrophobicContact CD1-SD 3.83Å; I635-M669 HydrophobicContact CG2-SD 4.33Å |
| 636 | G | 90 | Very high | 91.2 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -49 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R55 Y634 M669 | R55-G636 PolarHBondContact NH2-O 3.42Å; Y634-G636 PolarHBondContact O-N 3.15Å; G636-M669 WeakPolarHBondContact CA-O 3.06Å; G636-M669 PolarHBondContact N-O 3.34Å |
| 637 | N | 88.7 | Confident | 91.4 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.4 | -179.9 | 67.5 | 12.2 | 0 | 0 | 0 | 113.9 | Y634 K639 | Y634-N637 WeakPolarHBondContact CB-OD1 3.34Å; Y634-N637 PolarHBondContact O-OD1 2.9Å; N637-K639 WeakPolarHBondContact OD1-CB 3.45Å; N637-K639 PolarHBondContact OD1-N 3.42Å |
| 638 | G | 91.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 26.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y633 Y634 | Y633-G638 WeakPolarHBondContact CE2-O 3.45Å; Y633-G638 WeakPolarHBondContact OH-CA 3.33Å; Y634-G638 VanDerWaalsContact O-CA 3.25Å; Y634-G638 WeakPolarHBondContact O-CA 3.37Å; Y634-G638 PolarHBondContact O-N 2.72Å |
| 639 | K | 92.6 | Very high | 92.2 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.9 | -177.5 | -63.1 | -177.1 | 177.8 | -178.8 | 0 | 111.7 | Y634 N637 L641 | Y634-K639 PolarHBondContact N-O 3.07Å; N637-K639 WeakPolarHBondContact OD1-CB 3.45Å; N637-K639 PolarHBondContact OD1-N 3.42Å; K639-L641 HydrophobicContact CB-CD1 4.49Å; K639-L641 HydrophobicContact CB-CG 4.22Å |
| 640 | A | 94 | Very high | 92.6 | Very high | 64 Ų | 64 | 41 Ų | 41 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | V632 | V632-A640 CarbonylContact O-C 3.58Å; V632-A640 VanDerWaalsContact O-CA 3.3Å; V632-A640 WeakPolarHBondContact O-CA 3.18Å |
| 641 | L | 93.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 37% | 0.372 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 174.9 | -179.5 | -61.5 | 171.8 | 0 | 0 | 0 | 109.3 | S631 V632 Y634 K639 P671 | S631-L641 CarbonylContact C-O 3.59Å; S631-L641 WeakPolarHBondContact CA-O 3.16Å; V632-L641 PolarHBondContact N-O 3.43Å; V632-L641 PolarHBondContact O-N 3.16Å; Y634-L641 HydrophobicContact CD2-CB 3.92Å; Y634-L641 HydrophobicContact CD2-CD1 4.23Å; Y634-L641 HydrophobicContact CD2-CG 4.39Å; Y634-L641 HydrophobicContact CE2-CB 3.89Å; K639-L641 HydrophobicContact CB-CD1 4.49Å; K639-L641 HydrophobicContact CB-CG 4.22Å; L641-P671 HydrophobicContact CD1-CG 3.71Å |
| 642 | F | 90.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 34 Ų | 34 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 149.9 | 171.2 | -64.1 | -12.7 | 0 | 0 | 0 | 110.7 | S629 Y634 | S629-F642 WeakPolarHBondContact O-CD1 3.26Å; Y634-F642 PolarHBondContact OH-O 3.17Å |
| 643 | R | 91.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 18% | 0.177 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | -39.7 | -178.1 | 179.2 | 172.9 | -77.1 | -89.3 | -0.6 | 112.4 | D628 T630 V632 Y634 T664 N665 | D628-R643 HydrophobicContact CB-CB 4.19Å; D628-R643 WeakPolarHBondContact O-CB 3.26Å; D628-R643 PolarHBondContact O-N 3.41Å; D628-R643 VanDerWaalsContact O-N 3.1Å; D628-R643 WeakPolarHBondContact OD2-CD 3.31Å; T630-R643 PolarHBondContact O-N 2.86Å; V632-R643 HydrophobicContact CG2-CB 3.66Å; V632-R643 HydrophobicContact CG2-CG 4.03Å; Y634-R643 WeakPolarHBondContact OH-CA 3.37Å; Y634-R643 PolarHBondContact OH-O 3.44Å; R643-T664 WeakPolarHBondContact CD-O 3.4Å; R643-T664 PolarHBondContact NH1-O 3.5Å; R643-N665 HydrophobicContact CG-CB 4.29Å; R643-N665 PolarHBondContact NH1-O 3.2Å; R643-N665 PolarHBondContact O-ND2 2.91Å |
| 644 | S | 90.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 132.8 | 175 | -163.1 | 0 | 0 | 0 | 0 | 110.3 | E627 D628 | E627-S644 WeakPolarHBondContact CG-O 3.31Å; D628-S644 CarbonylContact C-O 3.57Å; D628-S644 PolarHBondContact N-O 2.9Å; D628-S644 PolarHBondContact O-N 3.28Å |
| 645 | S | 91.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 31% | 0.308 | 17% | 0.168 | S | C | . | . | trans | -68.8 | 153.3 | 163.8 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | A648 D673 | S645-A648 VanDerWaalsContact O-CB 3.31Å; S645-A648 WeakPolarHBondContact O-CB 3.41Å; S645-A648 PolarHBondContact O-N 2.86Å; S645-D673 PolarHBondContact OG-OD2 3.19Å | ||
| 646 | E | 90.5 | Very high | 93.7 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 148.4 | 171.5 | 72.9 | -171.9 | -153.3 | 0 | 0 | 112.1 | Y546 E627 A648 R708 K712 | Y546-E646 HydrophobicContact CE2-CB 4.29Å; Y546-E646 HydrophobicContact CE2-CG 4.08Å; Y546-E646 WeakPolarHBondContact CE2-OE1 3.46Å; Y546-E646 WeakPolarHBondContact CE2-OE2 3.35Å; Y546-E646 VanDerWaalsContact CZ-CD 3.43Å; Y546-E646 VanDerWaalsContact CZ-OE1 3.31Å; Y546-E646 PolarHBondContact OH-OE1 2.74Å; Y546-E646 PolarHBondContact OH-OE2 3.49Å; E627-E646 HydrophobicContact CB-CB 4.03Å; E646-A648 PolarHBondContact O-N 2.76Å; E646-A648 VanDerWaalsContact O-N 3.15Å; E646-R708 IonicContact OE1-NH2 2.86Å; E646-R708 PolarHBondContact OE1-NH2 2.95Å; E646-K712 PolarHBondContact O-NZ 3.3Å; E646-K712 IonicContact OE1-NZ 3.21Å; E646-K712 PolarHBondContact OE1-NZ 3.42Å |
| 647 | C | 93.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 28.6 | -178.3 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | T624 R708 I709 K712 | T624-C647 WeakPolarHBondContact O-CA 3.3Å; T624-C647 PolarHBondContact O-N 2.92Å; C647-R708 WeakPolarHBondContact SG-CD 3.39Å; C647-R708 PolarHBondContact SG-NE 3.37Å; C647-R708 VanDerWaalsContact SG-NE 3.44Å; C647-I709 HydrophobicContact CB-CG1 4.22Å; C647-K712 HydrophobicContact CB-CD 3.88Å |
| 648 | A | 95.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | trans | -105 | 122.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S645 E646 V650 D673 | S645-A648 VanDerWaalsContact O-CB 3.31Å; S645-A648 WeakPolarHBondContact O-CB 3.41Å; S645-A648 PolarHBondContact O-N 2.86Å; E646-A648 PolarHBondContact O-N 2.76Å; E646-A648 VanDerWaalsContact O-N 3.15Å; A648-V650 PolarHBondContact O-N 3.43Å; A648-D673 HydrophobicContact CB-CB 3.62Å | ||
| 649 | V | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -62.6 | 129.5 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | Y595 T624 L678 N679 F682 I709 | Y595-V649 HydrophobicContact CD1-CG1 3.69Å; Y595-V649 HydrophobicContact CE1-CG1 3.99Å; Y595-V649 HydrophobicContact CG-CG1 4.29Å; T624-V649 HydrophobicContact CG2-CB 4.43Å; T624-V649 HydrophobicContact CG2-CG2 3.74Å; T624-V649 WeakPolarHBondContact OG1-CA 3.33Å; V649-L678 HydrophobicContact CB-CB 4.14Å; V649-L678 HydrophobicContact CG1-CB 4.27Å; V649-N679 VanDerWaalsContact CG2-OD1 3.32Å; V649-N679 WeakPolarHBondContact CG2-OD1 3.3Å; V649-N679 PolarHBondContact N-OD1 3.49Å; V649-N679 VanDerWaalsContact N-OD1 3.09Å; V649-F682 HydrophobicContact CB-CB 4.41Å; V649-F682 HydrophobicContact CG1-CB 4.13Å; V649-F682 HydrophobicContact CG2-CB 3.46Å; V649-F682 VanDerWaalsContact CG2-CB 3.46Å; V649-F682 HydrophobicContact CG2-CD1 4.17Å; V649-F682 HydrophobicContact CG2-CD2 4.35Å; V649-F682 HydrophobicContact CG2-CG 3.75Å; V649-I709 HydrophobicContact CG2-CD1 4.25Å | ||
| 650 | V | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -63.9 | 138.2 | 178 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | Y595 L623 A648 F653 T664 N665 | Y595-V650 WeakPolarHBondContact CB-O 3.33Å; L623-V650 HydrophobicContact CB-CG1 4.09Å; L623-V650 HydrophobicContact CB-CG2 4.15Å; L623-V650 HydrophobicContact CD1-CG2 4.38Å; A648-V650 PolarHBondContact O-N 3.43Å; V650-F653 HydrophobicContact CG2-CD1 3.84Å; V650-F653 HydrophobicContact CG2-CE1 3.84Å; V650-T664 HydrophobicContact CG1-CG2 4.31Å; V650-N665 VanDerWaalsContact CA-OD1 3.25Å; V650-N665 WeakPolarHBondContact CA-OD1 3.47Å; V650-N665 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 651 | H | 97.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -67.7 | -41.2 | 173.5 | 173.5 | -85.9 | 0 | 0 | 0 | 110.9 | T594 Y595 D596 N665 Y667 T672 W675 L678 | T594-H651 CarbonylContact C-O 3.53Å; T594-H651 VanDerWaalsContact CA-O 3.31Å; T594-H651 WeakPolarHBondContact CA-O 3.44Å; T594-H651 WeakPolarHBondContact CG2-CE1 3.44Å; Y595-H651 PolarHBondContact N-O 3.37Å; D596-H651 IonicContact OD1-NE2 3.18Å; H651-N665 PolarHBondContact N-OD1 3.26Å; H651-Y667 AromaticContact CE1-CD2 3.71Å; H651-Y667 AromaticContact CE1-CG 3.7Å; H651-Y667 VanDerWaalsContact ND1-CB 3.25Å; H651-Y667 WeakPolarHBondContact ND1-CB 3.38Å; H651-Y667 AromaticContact ND1-CG 3.86Å; H651-Y667 AromaticContact NE2-CD2 3.96Å; H651-Y667 AromaticContact NE2-CG 3.99Å; H651-T672 HydrophobicContact CB-CG2 3.64Å; H651-W675 AromaticContact CD2-CH2 3.61Å; H651-W675 AromaticContact CD2-CZ3 3.48Å; H651-W675 VanDerWaalsContact CD2-CZ3 3.48Å; H651-W675 WeakPolarHBondContact CD2-CZ3 3.39Å; H651-W675 AromaticContact NE2-CH2 3.67Å; H651-W675 AromaticContact NE2-CZ3 3.81Å; H651-L678 HydrophobicContact CB-CD1 4.12Å |
| 652 | D | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -152.6 | 160.4 | 179.1 | 65.9 | 85.2 | 0 | 0 | 0 | 110.7 | M591 G654 T664 N665 A666 Y667 | M591-D652 HydrophobicContact CB-CB 3.81Å; M591-D652 HydrophobicContact CG-CB 4.43Å; D652-G654 PolarHBondContact O-N 2.79Å; D652-G654 VanDerWaalsContact OD1-CA 3.26Å; D652-G654 WeakPolarHBondContact OD1-CA 3.44Å; D652-G654 PolarHBondContact OD1-N 3.21Å; D652-T664 WeakPolarHBondContact O-CB 3.37Å; D652-N665 PolarHBondContact O-N 2.96Å; D652-N665 WeakPolarHBondContact OD2-CA 3.3Å; D652-A666 VanDerWaalsContact CG-N 3.34Å; D652-A666 VanDerWaalsContact OD1-CB 3.31Å; D652-A666 WeakPolarHBondContact OD1-CB 3.19Å; D652-A666 PolarHBondContact OD1-N 3.21Å; D652-A666 PolarHBondContact OD2-N 3.49Å; D652-A666 VanDerWaalsContact OD2-N 3.09Å; D652-Y667 PolarHBondContact OD2-N 2.83Å | ||
| 653 | F | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -82.4 | -1.8 | -177.6 | -73.3 | 17.1 | 0 | 0 | 0 | 112.7 | Y592 N593 L616 D619 C620 L623 V650 P660 W661 | Y592-F653 WeakPolarHBondContact O-CB 3.35Å; Y592-F653 PolarHBondContact O-N 3.2Å; N593-F653 HydrophobicContact CB-CB 4.38Å; N593-F653 HydrophobicContact CB-CD1 4.12Å; N593-F653 HydrophobicContact CB-CD2 3.95Å; N593-F653 HydrophobicContact CB-CE1 4.39Å; N593-F653 HydrophobicContact CB-CE2 4.24Å; N593-F653 HydrophobicContact CB-CG 3.89Å; N593-F653 HydrophobicContact CB-CZ 4.44Å; N593-F653 WeakPolarHBondContact ND2-CD2 3.46Å; N593-F653 VanDerWaalsContact ND2-CE2 3.34Å; N593-F653 WeakPolarHBondContact ND2-CE2 3.34Å; L616-F653 HydrophobicContact CD2-CZ 4.42Å; L616-F653 HydrophobicContact CG-CE2 4.5Å; D619-F653 HydrophobicContact CB-CE2 3.99Å; D619-F653 HydrophobicContact CB-CZ 4.32Å; C620-F653 HydrophobicContact CB-CE1 3.93Å; C620-F653 HydrophobicContact CB-CZ 3.76Å; L623-F653 HydrophobicContact CD1-CD1 3.72Å; L623-F653 HydrophobicContact CD1-CD2 4.07Å; L623-F653 HydrophobicContact CD1-CE1 3.79Å; L623-F653 HydrophobicContact CD1-CE2 4.12Å; L623-F653 HydrophobicContact CD1-CG 3.88Å; L623-F653 HydrophobicContact CD1-CZ 3.99Å; V650-F653 HydrophobicContact CG2-CD1 3.84Å; V650-F653 HydrophobicContact CG2-CE1 3.84Å; F653-P660 CarbonylContact O-C 3.55Å; F653-P660 VanDerWaalsContact O-CA 3.31Å; F653-P660 WeakPolarHBondContact O-CA 3.32Å; F653-W661 AromaticContact CD2-CD1 3.59Å; F653-W661 AromaticContact CD2-NE1 3.44Å; F653-W661 AromaticContact CE2-NE1 3.91Å; F653-W661 PolarHBondContact O-N 3.17Å |
| 654 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | 123.9 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y592 D652 C663 | Y592-G654 PolarHBondContact N-O 3.23Å; D652-G654 PolarHBondContact O-N 2.79Å; D652-G654 VanDerWaalsContact OD1-CA 3.26Å; D652-G654 WeakPolarHBondContact OD1-CA 3.44Å; D652-G654 PolarHBondContact OD1-N 3.21Å; G654-C663 WeakPolarHBondContact CA-O 3.15Å | ||
| 655 | D | 95.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 10.9 Ų | 10.9 | 8% | 0.08 | 6% | 0.062 | C | C | . | . | trans | -107.5 | 143.3 | -178.3 | 164.9 | 95.7 | 0 | 0 | 0 | 111.2 | F73 R590 E657 D658 A666 | F73-D655 HydrophobicContact CB-CB 4.39Å; R590-D655 IonicContact NH1-OD1 2.84Å; R590-D655 PolarHBondContact NH1-OD1 3.39Å; R590-D655 VanDerWaalsContact NH1-OD1 3.15Å; R590-D655 IonicContact NH1-OD2 2.92Å; R590-D655 WeakPolarHBondContact O-CA 3.3Å; R590-D655 VanDerWaalsContact O-OD1 3.11Å; D655-E657 PolarHBondContact O-N 3.37Å; D655-E657 VanDerWaalsContact O-N 3.17Å; D655-E657 VanDerWaalsContact OD2-CA 3.29Å; D655-E657 WeakPolarHBondContact OD2-CA 3.41Å; D655-E657 WeakPolarHBondContact OD2-CB 3.47Å; D655-E657 WeakPolarHBondContact OD2-CG 3.46Å; D655-E657 PolarHBondContact OD2-N 3.14Å; D655-D658 CarbonylContact O-C 3.55Å; D655-D658 PolarHBondContact O-N 2.68Å; D655-A666 HydrophobicContact CB-CB 3.58Å | ||
| 656 | P | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.4 | -179 | 24.3 | -34.4 | 0 | 0 | 0 | 115.9 | G114 F436 R437 L584 R590 Y592 D658 | G114-P656 VanDerWaalsContact CA-CG 3.49Å; F436-P656 HydrophobicContact CD1-CB 4.23Å; R437-P656 PolarHBondContact N-O 2.92Å; L584-P656 HydrophobicContact CD2-CG 4.4Å; R590-P656 HydrophobicContact CB-CG 4.11Å; R590-P656 WeakPolarHBondContact O-CD 3.32Å; Y592-P656 HydrophobicContact CE2-CB 3.8Å; Y592-P656 HydrophobicContact CE2-CG 4.27Å; P656-D658 VanDerWaalsContact C-N 3.3Å |
| 657 | E | 93.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.5 | 170.1 | -54.6 | -86.4 | 125 | 0 | 0 | 112.4 | R70 L71 R240 R437 T438 R590 D655 | R70-E657 WeakPolarHBondContact CA-OE2 3.47Å; R70-E657 HydrophobicContact CB-CB 4.38Å; R70-E657 HydrophobicContact CB-CG 4.49Å; R70-E657 WeakPolarHBondContact CB-OE2 3.48Å; L71-E657 HydrophobicContact CB-CG 4.1Å; L71-E657 PolarHBondContact N-OE2 2.74Å; R240-E657 IonicContact NH1-OE1 3.91Å; R240-E657 PolarHBondContact NH1-OE1 2.81Å; R437-E657 WeakPolarHBondContact CD-OE1 3.19Å; R437-E657 WeakPolarHBondContact CD-OE2 3.29Å; R437-E657 IonicContact CZ-OE2 3.94Å; R437-E657 IonicContact NE-OE1 3.35Å; R437-E657 IonicContact NE-OE2 3.13Å; R437-E657 PolarHBondContact NE-OE2 2.89Å; T438-E657 PolarHBondContact N-O 3.47Å; T438-E657 PolarHBondContact OG1-O 2.95Å; R590-E657 IonicContact CZ-OE1 3.51Å; R590-E657 IonicContact NH1-OE1 3.78Å; R590-E657 IonicContact NH2-OE1 2.56Å; R590-E657 PolarHBondContact NH2-OE1 3.2Å; D655-E657 PolarHBondContact O-N 3.37Å; D655-E657 VanDerWaalsContact O-N 3.17Å; D655-E657 VanDerWaalsContact OD2-CA 3.29Å; D655-E657 WeakPolarHBondContact OD2-CA 3.41Å; D655-E657 WeakPolarHBondContact OD2-CB 3.47Å; D655-E657 WeakPolarHBondContact OD2-CG 3.46Å; D655-E657 PolarHBondContact OD2-N 3.14Å |
| 658 | D | 91.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 9 Ų | 9 | 27% | 0.267 | 5% | 0.051 | S | C | . | . | S | Bend | trans | -120.9 | -155.8 | 176.1 | -144.7 | -61.2 | 0 | 0 | 0 | 110.2 | R70 F436 D655 P656 P660 C663 | R70-D658 IonicContact NH1-OD2 3.89Å; R70-D658 PolarHBondContact NH1-OD2 2.96Å; F436-D658 WeakPolarHBondContact CB-O 3.46Å; D655-D658 CarbonylContact O-C 3.55Å; D655-D658 PolarHBondContact O-N 2.68Å; P656-D658 VanDerWaalsContact C-N 3.3Å; D658-P660 WeakPolarHBondContact O-CD 3.31Å; D658-C663 PolarHBondContact OD1-SG 2.87Å |
| 659 | E | 93.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | trans | -103.5 | 98.9 | 176.6 | -166.7 | 70.2 | -91.3 | 0 | 0 | 111.7 | F436 G439 D440 V441 Y443 V534 R662 C663 | F436-E659 WeakPolarHBondContact CD2-OE1 3.48Å; G439-E659 WeakPolarHBondContact CA-OE2 3.32Å; D440-E659 PolarHBondContact N-OE2 3.45Å; V441-E659 WeakPolarHBondContact CB-OE2 3.39Å; V441-E659 HydrophobicContact CG2-CG 4.47Å; V441-E659 WeakPolarHBondContact CG2-OE2 3.35Å; V441-E659 PolarHBondContact N-OE2 3.23Å; Y443-E659 WeakPolarHBondContact CE2-OE1 3.22Å; Y443-E659 PolarHBondContact OH-OE1 2.61Å; V534-E659 HydrophobicContact CG1-CG 4.23Å; E659-R662 HydrophobicContact CB-CB 4.1Å; E659-R662 HydrophobicContact CG-CB 3.85Å; E659-R662 PolarHBondContact O-N 3.47Å; E659-C663 WeakPolarHBondContact O-CB 3.37Å; E659-C663 PolarHBondContact O-N 3.48Å | ||
| 660 | P | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 157.2 | 172.4 | -22 | 33.7 | 0 | 0 | 0 | 111.9 | F436 Y592 F653 D658 R662 | F436-P660 HydrophobicContact CD1-CG 3.96Å; F436-P660 HydrophobicContact CD2-CG 4.3Å; F436-P660 HydrophobicContact CE1-CG 3.84Å; F436-P660 HydrophobicContact CE2-CG 4.21Å; F436-P660 HydrophobicContact CG-CG 4.18Å; F436-P660 HydrophobicContact CZ-CG 3.97Å; Y592-P660 HydrophobicContact CD2-CB 3.97Å; Y592-P660 HydrophobicContact CD2-CG 3.58Å; Y592-P660 HydrophobicContact CE2-CG 3.84Å; F653-P660 CarbonylContact O-C 3.55Å; F653-P660 VanDerWaalsContact O-CA 3.31Å; F653-P660 WeakPolarHBondContact O-CA 3.32Å; D658-P660 WeakPolarHBondContact O-CD 3.31Å; P660-R662 PolarHBondContact O-N 3.17Å |
| 661 | W | 93.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | -13.6 | -170.1 | -54 | -86.4 | 0 | 0 | 0 | 115.9 | F436 V511 L513 L531 V534 R535 L580 L623 F653 | F436-W661 AromaticContact CE2-CZ3 3.87Å; F436-W661 HydrophobicContact CE2-CZ3 3.87Å; F436-W661 HydrophobicContact CZ-CH2 4.42Å; F436-W661 AromaticContact CZ-CZ3 3.85Å; F436-W661 HydrophobicContact CZ-CZ3 3.85Å; V511-W661 HydrophobicContact CG2-CH2 3.92Å; L513-W661 HydrophobicContact CD1-CH2 4.4Å; L513-W661 HydrophobicContact CD1-CZ3 4.33Å; L531-W661 HydrophobicContact CD1-CB 3.71Å; L531-W661 HydrophobicContact CD1-CG 3.94Å; V534-W661 HydrophobicContact CG1-CB 4.21Å; R535-W661 VanDerWaalsContact CG-O 3.25Å; R535-W661 WeakPolarHBondContact CG-O 3.23Å; L580-W661 HydrophobicContact CB-CD2 4.37Å; L580-W661 HydrophobicContact CB-CH2 4.02Å; L580-W661 HydrophobicContact CB-CZ2 3.73Å; L580-W661 HydrophobicContact CB-CZ3 4.42Å; L580-W661 HydrophobicContact CD1-CD2 4.07Å; L580-W661 HydrophobicContact CD1-CE3 4.06Å; L580-W661 HydrophobicContact CD1-CG 4.48Å; L580-W661 HydrophobicContact CD1-CZ3 4.46Å; L580-W661 HydrophobicContact CD2-CD2 4.41Å; L580-W661 HydrophobicContact CD2-CG 4.38Å; L623-W661 WeakPolarHBondContact CD2-O 3.39Å; F653-W661 AromaticContact CD2-CD1 3.59Å; F653-W661 AromaticContact CD2-NE1 3.44Å; F653-W661 AromaticContact CE2-NE1 3.91Å; F653-W661 PolarHBondContact O-N 3.17Å |
| 662 | R | 91.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 11.4 Ų | 11.4 | 10% | 0.102 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -43.3 | 172.8 | -175.1 | -173.3 | -63.2 | 173.2 | 5.8 | 112.5 | V534 Y537 K538 E659 P660 | V534-R662 HydrophobicContact CG1-CB 4.19Å; V534-R662 VanDerWaalsContact O-CZ 3.25Å; V534-R662 PolarHBondContact O-NE 3.48Å; V534-R662 PolarHBondContact O-NH2 3.3Å; Y537-R662 VanDerWaalsContact CD2-NH2 3.28Å; Y537-R662 VanDerWaalsContact CG-NH2 3.34Å; K538-R662 HydrophobicContact CB-CG 4.06Å; K538-R662 HydrophobicContact CD-CG 4.01Å; K538-R662 HydrophobicContact CG-CG 4.5Å; K538-R662 PolarHBondContact NZ-O 3.01Å; E659-R662 HydrophobicContact CB-CB 4.1Å; E659-R662 HydrophobicContact CG-CB 3.85Å; E659-R662 PolarHBondContact O-N 3.47Å; P660-R662 PolarHBondContact O-N 3.17Å |
| 663 | C | 92.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 12.9 Ų | 12.9 | 21% | 0.209 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -111.5 | 64.4 | -177.1 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | G654 D658 E659 | G654-C663 WeakPolarHBondContact CA-O 3.15Å; D658-C663 PolarHBondContact OD1-SG 2.87Å; E659-C663 WeakPolarHBondContact O-CB 3.37Å; E659-C663 PolarHBondContact O-N 3.48Å |
| 664 | T | 93.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 15 Ų | 15 | 6% | 0.055 | 8% | 0.083 | C | C | . | . | trans | -67.1 | 170.1 | -179.7 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | L623 R643 V650 D652 | L623-T664 HydrophobicContact CD1-CG2 3.83Å; L623-T664 HydrophobicContact CD2-CG2 3.75Å; L623-T664 HydrophobicContact CG-CG2 4.22Å; R643-T664 WeakPolarHBondContact CD-O 3.4Å; R643-T664 PolarHBondContact NH1-O 3.5Å; V650-T664 HydrophobicContact CG1-CG2 4.31Å; D652-T664 WeakPolarHBondContact O-CB 3.37Å | ||
| 665 | N | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | 54.3 | 60.4 | -176.2 | -61.4 | -18 | 0 | 0 | 0 | 111.1 | R643 V650 H651 D652 Y667 T672 | R643-N665 HydrophobicContact CG-CB 4.29Å; R643-N665 PolarHBondContact NH1-O 3.2Å; R643-N665 PolarHBondContact O-ND2 2.91Å; V650-N665 VanDerWaalsContact CA-OD1 3.25Å; V650-N665 WeakPolarHBondContact CA-OD1 3.47Å; V650-N665 WeakPolarHBondContact CB-OD1 3.41Å; H651-N665 PolarHBondContact N-OD1 3.26Å; D652-N665 PolarHBondContact O-N 2.96Å; D652-N665 WeakPolarHBondContact OD2-CA 3.3Å; N665-Y667 PolarHBondContact O-N 2.83Å; N665-T672 PolarHBondContact ND2-OG1 2.89Å | ||
| 666 | A | 95.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 11% | 0.107 | 8% | 0.079 | C | C | . | . | trans | -64.1 | -26.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | F73 M591 D652 D655 I668 | F73-A666 HydrophobicContact CB-CB 4.37Å; F73-A666 VanDerWaalsContact CD1-O 3.3Å; F73-A666 WeakPolarHBondContact CD1-O 3.47Å; M591-A666 HydrophobicContact CG-CB 4.12Å; D652-A666 VanDerWaalsContact CG-N 3.34Å; D652-A666 VanDerWaalsContact OD1-CB 3.31Å; D652-A666 WeakPolarHBondContact OD1-CB 3.19Å; D652-A666 PolarHBondContact OD1-N 3.21Å; D652-A666 PolarHBondContact OD2-N 3.49Å; D652-A666 VanDerWaalsContact OD2-N 3.09Å; D655-A666 HydrophobicContact CB-CB 3.58Å; A666-I668 PolarHBondContact O-N 3.32Å | ||
| 667 | Y | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | trans | -62.5 | 117.5 | 167.6 | -173.4 | -86.9 | 0 | 0 | 0 | 111.8 | F73 M591 H651 D652 N665 M669 F670 T672 W675 D736 | F73-Y667 HydrophobicContact CE2-CD2 4.14Å; M591-Y667 HydrophobicContact SD-CD2 4.27Å; H651-Y667 AromaticContact CE1-CD2 3.71Å; H651-Y667 AromaticContact CE1-CG 3.7Å; H651-Y667 VanDerWaalsContact ND1-CB 3.25Å; H651-Y667 WeakPolarHBondContact ND1-CB 3.38Å; H651-Y667 AromaticContact ND1-CG 3.86Å; H651-Y667 AromaticContact NE2-CD2 3.96Å; H651-Y667 AromaticContact NE2-CG 3.99Å; D652-Y667 PolarHBondContact OD2-N 2.83Å; N665-Y667 PolarHBondContact O-N 2.83Å; Y667-M669 HydrophobicContact CE1-CB 3.74Å; Y667-M669 HydrophobicContact CE1-CG 4.43Å; Y667-M669 HydrophobicContact CE2-CB 4.08Å; Y667-M669 HydrophobicContact CE2-CG 3.95Å; Y667-M669 WeakPolarHBondContact OH-CB 3.49Å; Y667-F670 HydrophobicContact CE1-CB 4.43Å; Y667-T672 HydrophobicContact CD1-CG2 3.58Å; Y667-T672 HydrophobicContact CE1-CG2 4.1Å; Y667-T672 HydrophobicContact CG-CG2 4.5Å; Y667-W675 HydrophobicContact CD1-CZ2 4.28Å; Y667-W675 HydrophobicContact CE1-CH2 4.11Å; Y667-W675 AromaticContact CE1-CZ2 3.5Å; Y667-W675 HydrophobicContact CE1-CZ2 3.5Å; Y667-W675 VanDerWaalsContact CE1-CZ2 3.5Å; Y667-W675 AromaticContact CZ-CZ2 3.7Å; Y667-D736 WeakPolarHBondContact CE2-OD2 3.5Å; Y667-D736 VanDerWaalsContact OH-CB 3.32Å; Y667-D736 WeakPolarHBondContact OH-CB 3.47Å; Y667-D736 PolarHBondContact OH-OD2 3.39Å | ||
| 668 | I | 94.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 14.3 Ų | 14.3 | 12% | 0.118 | 8% | 0.079 | C | C | . | . | trans | -129.9 | 19.9 | -178.7 | 60.9 | 165.4 | 0 | 0 | 0 | 113.1 | F60 F73 V632 Y634 I635 A666 | F60-I668 HydrophobicContact CD2-CD1 3.72Å; F60-I668 HydrophobicContact CE2-CD1 3.83Å; F60-I668 HydrophobicContact CE2-CG1 4.49Å; F73-I668 HydrophobicContact CE1-CD1 4.3Å; F73-I668 HydrophobicContact CE1-CG1 3.58Å; F73-I668 HydrophobicContact CZ-CG1 4.01Å; V632-I668 HydrophobicContact CG1-CB 4.09Å; V632-I668 HydrophobicContact CG1-CG2 3.45Å; V632-I668 VanDerWaalsContact CG1-CG2 3.45Å; Y634-I668 WeakPolarHBondContact CA-O 3.45Å; Y634-I668 HydrophobicContact CD1-CB 4.33Å; Y634-I668 HydrophobicContact CE1-CB 4.47Å; I635-I668 HydrophobicContact CD1-CD1 4.21Å; I635-I668 HydrophobicContact CD1-CG1 4.13Å; I635-I668 HydrophobicContact CG1-CD1 4.46Å; I635-I668 HydrophobicContact CG1-CG1 4.49Å; I635-I668 PolarHBondContact N-O 2.86Å; A666-I668 PolarHBondContact O-N 3.32Å | ||
| 669 | M | 93.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 12.3 Ų | 12.3 | 13% | 0.128 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -68.5 | -43.1 | 173.4 | -59.3 | -65.1 | -75.2 | 0 | 0 | 110.1 | M52 Y56 F73 I635 G636 Y667 | M52-M669 HydrophobicContact CE-CE 3.89Å; M52-M669 HydrophobicContact CG-CE 3.88Å; M52-M669 HydrophobicContact SD-CE 3.53Å; M52-M669 VanDerWaalsContact SD-CE 3.53Å; Y56-M669 HydrophobicContact CD2-CE 4.48Å; Y56-M669 HydrophobicContact CD2-SD 4Å; F73-M669 HydrophobicContact CZ-CG 4.29Å; F73-M669 HydrophobicContact CZ-SD 4.5Å; I635-M669 HydrophobicContact CB-SD 4.21Å; I635-M669 HydrophobicContact CD1-SD 3.83Å; I635-M669 HydrophobicContact CG2-SD 4.33Å; G636-M669 WeakPolarHBondContact CA-O 3.06Å; G636-M669 PolarHBondContact N-O 3.34Å; Y667-M669 HydrophobicContact CE1-CB 3.74Å; Y667-M669 HydrophobicContact CE1-CG 4.43Å; Y667-M669 HydrophobicContact CE2-CB 4.08Å; Y667-M669 HydrophobicContact CE2-CG 3.95Å; Y667-M669 WeakPolarHBondContact OH-CB 3.49Å |
| 670 | F | 94 | Very high | 95.1 | Very high | 22 Ų | 22 | 12.2 Ų | 12.2 | 10% | 0.096 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -137.3 | 153.5 | 174.9 | -61.8 | -78.3 | 0 | 0 | 0 | 110.6 | M52 Y634 Y667 T672 F730 P731 D736 | M52-F670 HydrophobicContact SD-CE2 4.09Å; M52-F670 HydrophobicContact SD-CZ 3.78Å; Y634-F670 WeakPolarHBondContact CD1-O 3.45Å; Y634-F670 VanDerWaalsContact CE1-O 3.31Å; Y634-F670 WeakPolarHBondContact CE1-O 3.43Å; Y667-F670 HydrophobicContact CE1-CB 4.43Å; F670-T672 PolarHBondContact O-N 3.47Å; F670-F730 HydrophobicContact CD1-CD2 4.17Å; F670-P731 HydrophobicContact CE2-CB 4.19Å; F670-P731 HydrophobicContact CE2-CG 4.07Å; F670-P731 HydrophobicContact CZ-CG 4Å; F670-D736 WeakPolarHBondContact CE2-O 3.44Å |
| 671 | P | 93.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 8% | 0.078 | 7% | 0.068 | C | C | . | . | trans | -61.4 | 116.2 | 170.6 | -19.6 | 31.8 | 0 | 0 | 0 | 110.7 | Y634 L641 D673 T674 | Y634-P671 HydrophobicContact CD1-CB 4.41Å; Y634-P671 HydrophobicContact CD1-CG 3.98Å; Y634-P671 VanDerWaalsContact CD1-N 3.32Å; Y634-P671 HydrophobicContact CD2-CB 4.46Å; Y634-P671 HydrophobicContact CD2-CG 3.83Å; Y634-P671 VanDerWaalsContact CE1-CA 3.4Å; Y634-P671 HydrophobicContact CE1-CB 4.18Å; Y634-P671 HydrophobicContact CE1-CG 4.24Å; Y634-P671 HydrophobicContact CE2-CB 4.21Å; Y634-P671 HydrophobicContact CE2-CG 4.08Å; Y634-P671 HydrophobicContact CG-CG 3.75Å; L641-P671 HydrophobicContact CD1-CG 3.71Å; P671-D673 WeakPolarHBondContact CB-OD1 3.46Å; P671-T674 PolarHBondContact O-OG1 3.42Å | ||
| 672 | T | 94.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -85 | -14 | -173.3 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | H651 N665 Y667 F670 T674 W675 | H651-T672 HydrophobicContact CB-CG2 3.64Å; N665-T672 PolarHBondContact ND2-OG1 2.89Å; Y667-T672 HydrophobicContact CD1-CG2 3.58Å; Y667-T672 HydrophobicContact CE1-CG2 4.1Å; Y667-T672 HydrophobicContact CG-CG2 4.5Å; F670-T672 PolarHBondContact O-N 3.47Å; T672-T674 PolarHBondContact O-N 2.98Å; T672-W675 HydrophobicContact CG2-CD2 4.26Å; T672-W675 HydrophobicContact CG2-CZ2 4.14Å; T672-W675 WeakPolarHBondContact O-CB 3.39Å; T672-W675 PolarHBondContact O-N 3.28Å |
| 673 | D | 92.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 11 Ų | 11 | 17% | 0.166 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -65.6 | -15.4 | 172.8 | 63.8 | -19.5 | 0 | 0 | 0 | 113.5 | S645 A648 P671 W717 | S645-D673 PolarHBondContact OG-OD2 3.19Å; A648-D673 HydrophobicContact CB-CB 3.62Å; P671-D673 WeakPolarHBondContact CB-OD1 3.46Å; D673-W717 WeakPolarHBondContact O-CZ2 3.31Å |
| 674 | T | 92.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 9.5 Ų | 9.5 | 28% | 0.276 | 5% | 0.053 | S | C | . | . | G | 310 helix | trans | -100.4 | 3.5 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | P671 T672 K676 F730 | P671-T674 PolarHBondContact O-OG1 3.42Å; T672-T674 PolarHBondContact O-N 2.98Å; T674-K676 PolarHBondContact O-NZ 2.79Å; T674-F730 WeakPolarHBondContact OG1-CZ 3.39Å |
| 675 | W | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | trans | -73 | 132 | 179.8 | -76.7 | 25.2 | 0 | 0 | 0 | 111.6 | D596 H651 Y667 T672 D677 L678 W717 D732 D736 | D596-W675 HydrophobicContact CB-CZ3 4.48Å; H651-W675 AromaticContact CD2-CH2 3.61Å; H651-W675 AromaticContact CD2-CZ3 3.48Å; H651-W675 VanDerWaalsContact CD2-CZ3 3.48Å; H651-W675 WeakPolarHBondContact CD2-CZ3 3.39Å; H651-W675 AromaticContact NE2-CH2 3.67Å; H651-W675 AromaticContact NE2-CZ3 3.81Å; Y667-W675 HydrophobicContact CD1-CZ2 4.28Å; Y667-W675 HydrophobicContact CE1-CH2 4.11Å; Y667-W675 AromaticContact CE1-CZ2 3.5Å; Y667-W675 HydrophobicContact CE1-CZ2 3.5Å; Y667-W675 VanDerWaalsContact CE1-CZ2 3.5Å; Y667-W675 AromaticContact CZ-CZ2 3.7Å; T672-W675 HydrophobicContact CG2-CD2 4.26Å; T672-W675 HydrophobicContact CG2-CZ2 4.14Å; T672-W675 WeakPolarHBondContact O-CB 3.39Å; T672-W675 PolarHBondContact O-N 3.28Å; W675-D677 PolarHBondContact O-N 2.97Å; W675-L678 HydrophobicContact CB-CB 4.48Å; W675-L678 HydrophobicContact CB-CD1 3.9Å; W675-L678 HydrophobicContact CB-CG 4.12Å; W675-L678 HydrophobicContact CD2-CD1 4.27Å; W675-L678 HydrophobicContact CE3-CD1 4.03Å; W675-L678 HydrophobicContact CE3-CG 4.11Å; W675-L678 HydrophobicContact CG-CD1 4.27Å; W675-W717 VanDerWaalsContact O-CH2 3.3Å; W675-W717 WeakPolarHBondContact O-CH2 3.45Å; W675-D732 CarbonylContact C-O 3.47Å; W675-D732 VanDerWaalsContact CA-O 3.27Å; W675-D732 WeakPolarHBondContact CA-O 3.27Å; W675-D736 HydrophobicContact CH2-CB 3.9Å; W675-D736 HydrophobicContact CZ2-CB 4.05Å | ||
| 676 | K | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.4 | -169.4 | -57.4 | -52.6 | -177.4 | -65 | 0 | 113.9 | T674 W717 I725 E726 S728 D732 T747 | T674-K676 PolarHBondContact O-NZ 2.79Å; K676-W717 HydrophobicContact CD-CB 4.23Å; K676-W717 HydrophobicContact CD-CD2 3.39Å; K676-W717 HydrophobicContact CD-CE3 3.59Å; K676-W717 HydrophobicContact CD-CG 3.68Å; K676-W717 HydrophobicContact CD-CH2 4.47Å; K676-W717 HydrophobicContact CD-CZ2 4.34Å; K676-W717 HydrophobicContact CD-CZ3 4.13Å; K676-W717 VanDerWaalsContact CE-CD1 3.41Å; K676-I725 HydrophobicContact CB-CD1 4.1Å; K676-I725 VanDerWaalsContact O-CD1 3.27Å; K676-I725 WeakPolarHBondContact O-CD1 3.44Å; K676-E726 WeakPolarHBondContact CE-O 3.29Å; K676-S728 PolarHBondContact NZ-OG 3.43Å; K676-S728 VanDerWaalsContact NZ-OG 3.08Å; K676-D732 PolarHBondContact N-O 3.27Å; K676-D732 IonicContact NZ-OD2 3.66Å; K676-D732 PolarHBondContact NZ-OD2 2.85Å; K676-T747 HydrophobicContact CB-CG2 3.95Å |
| 677 | D | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -20.6 | -176.6 | 61.7 | -9.2 | 0 | 0 | 0 | 114.3 | W675 S680 K681 T734 Y746 | W675-D677 PolarHBondContact O-N 2.97Å; D677-S680 PolarHBondContact O-N 3.29Å; D677-K681 HydrophobicContact CB-CD 4.41Å; D677-K681 VanDerWaalsContact O-CB 3.26Å; D677-K681 WeakPolarHBondContact O-CB 2.64Å; D677-K681 WeakPolarHBondContact O-CD 3.39Å; D677-K681 WeakPolarHBondContact O-CG 3.5Å; D677-K681 PolarHBondContact O-N 2.96Å; D677-K681 IonicContact OD2-NZ 3.31Å; D677-K681 PolarHBondContact OD2-NZ 2.93Å; D677-T734 WeakPolarHBondContact OD2-CB 3.41Å; D677-T734 PolarHBondContact OD2-N 3.35Å; D677-T734 PolarHBondContact OD2-OG1 3.17Å; D677-Y746 HydrophobicContact CB-CE1 4.07Å; D677-Y746 WeakPolarHBondContact OD2-CE1 3.37Å |
| 678 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.4 | -50.7 | -179.7 | -79.4 | 175.8 | 0 | 0 | 0 | 112.6 | D596 V649 H651 W675 S680 K681 F682 | D596-L678 HydrophobicContact CB-CD2 3.74Å; V649-L678 HydrophobicContact CB-CB 4.14Å; V649-L678 HydrophobicContact CG1-CB 4.27Å; H651-L678 HydrophobicContact CB-CD1 4.12Å; W675-L678 HydrophobicContact CB-CB 4.48Å; W675-L678 HydrophobicContact CB-CD1 3.9Å; W675-L678 HydrophobicContact CB-CG 4.12Å; W675-L678 HydrophobicContact CD2-CD1 4.27Å; W675-L678 HydrophobicContact CE3-CD1 4.03Å; W675-L678 HydrophobicContact CE3-CG 4.11Å; W675-L678 HydrophobicContact CG-CD1 4.27Å; L678-S680 PolarHBondContact O-N 3.31Å; L678-K681 PolarHBondContact O-N 3.46Å; L678-F682 PolarHBondContact O-N 3.29Å |
| 679 | N | 98.2 | Very high | 97 | Very high | 8 Ų | 8 | 7.1 Ų | 7.1 | 4% | 0.043 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 178.5 | -76.5 | -2.4 | 0 | 0 | 0 | 111.8 | V649 K681 F682 I683 I709 S713 | V649-N679 VanDerWaalsContact CG2-OD1 3.32Å; V649-N679 WeakPolarHBondContact CG2-OD1 3.3Å; V649-N679 PolarHBondContact N-OD1 3.49Å; V649-N679 VanDerWaalsContact N-OD1 3.09Å; N679-K681 VanDerWaalsContact C-N 3.35Å; N679-K681 PolarHBondContact O-N 3.04Å; N679-F682 PolarHBondContact O-N 3Å; N679-I683 WeakPolarHBondContact O-CG1 3.42Å; N679-I683 PolarHBondContact O-N 2.77Å; N679-I683 VanDerWaalsContact O-N 3.1Å; N679-I709 HydrophobicContact CB-CG2 3.55Å; N679-I709 VanDerWaalsContact CG-CG2 3.47Å; N679-S713 PolarHBondContact ND2-OG 3.02Å |
| 680 | S | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.007 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 177 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | D677 L678 F682 I683 L684 | D677-S680 PolarHBondContact O-N 3.29Å; L678-S680 PolarHBondContact O-N 3.31Å; S680-F682 VanDerWaalsContact C-N 3.32Å; S680-F682 PolarHBondContact O-N 2.95Å; S680-I683 PolarHBondContact O-N 2.78Å; S680-L684 WeakPolarHBondContact O-CB 3.31Å; S680-L684 VanDerWaalsContact O-CG 3.25Å; S680-L684 WeakPolarHBondContact O-CG 3.32Å; S680-L684 PolarHBondContact O-N 2.91Å |
| 681 | K | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | 177.6 | -75.9 | 172.3 | 175.5 | -172.3 | 0 | 112.5 | D596 H599 D677 L678 N679 Q685 T734 Y746 M750 | D596-K681 HydrophobicContact CB-CD 4.37Å; D596-K681 PolarHBondContact O-NZ 3.01Å; H599-K681 HydrophobicContact CB-CB 4.39Å; H599-K681 HydrophobicContact CB-CD 3.85Å; H599-K681 HydrophobicContact CB-CG 4.05Å; D677-K681 HydrophobicContact CB-CD 4.41Å; D677-K681 VanDerWaalsContact O-CB 3.26Å; D677-K681 WeakPolarHBondContact O-CB 2.64Å; D677-K681 WeakPolarHBondContact O-CD 3.39Å; D677-K681 WeakPolarHBondContact O-CG 3.5Å; D677-K681 PolarHBondContact O-N 2.96Å; D677-K681 IonicContact OD2-NZ 3.31Å; D677-K681 PolarHBondContact OD2-NZ 2.93Å; L678-K681 PolarHBondContact O-N 3.46Å; N679-K681 VanDerWaalsContact C-N 3.35Å; N679-K681 PolarHBondContact O-N 3.04Å; K681-Q685 WeakPolarHBondContact O-CB 3.42Å; K681-Q685 VanDerWaalsContact O-CG 3.26Å; K681-Q685 WeakPolarHBondContact O-CG 3Å; K681-Q685 PolarHBondContact O-N 3.16Å; K681-Q685 PolarHBondContact O-NE2 3.37Å; K681-T734 PolarHBondContact NZ-OG1 3.21Å; K681-Y746 WeakPolarHBondContact CE-OH 3.09Å; K681-Y746 PolarHBondContact NZ-OH 3.31Å; K681-M750 HydrophobicContact CG-CE 4.45Å; K681-M750 HydrophobicContact CG-SD 4.5Å |
| 682 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.8 | -50.9 | 174.4 | 174.1 | -98.4 | 0 | 0 | 0 | 111.3 | Y595 C620 A621 V649 L678 N679 S680 L684 Q685 V686 M702 I705 V706 I709 | Y595-F682 HydrophobicContact CE1-CB 3.81Å; Y595-F682 HydrophobicContact CE1-CD2 4.27Å; Y595-F682 AromaticContact CZ-CD2 3.88Å; Y595-F682 WeakPolarHBondContact OH-CA 3.44Å; Y595-F682 VanDerWaalsContact OH-CD2 3.31Å; Y595-F682 WeakPolarHBondContact OH-CD2 3.37Å; C620-F682 HydrophobicContact CB-CE2 4.39Å; A621-F682 HydrophobicContact CB-CE2 3.92Å; A621-F682 HydrophobicContact CB-CZ 3.65Å; V649-F682 HydrophobicContact CB-CB 4.41Å; V649-F682 HydrophobicContact CG1-CB 4.13Å; V649-F682 HydrophobicContact CG2-CB 3.46Å; V649-F682 VanDerWaalsContact CG2-CB 3.46Å; V649-F682 HydrophobicContact CG2-CD1 4.17Å; V649-F682 HydrophobicContact CG2-CD2 4.35Å; V649-F682 HydrophobicContact CG2-CG 3.75Å; L678-F682 PolarHBondContact O-N 3.29Å; N679-F682 PolarHBondContact O-N 3Å; S680-F682 VanDerWaalsContact C-N 3.32Å; S680-F682 PolarHBondContact O-N 2.95Å; F682-L684 VanDerWaalsContact C-N 3.31Å; F682-L684 PolarHBondContact O-N 3.41Å; F682-Q685 PolarHBondContact O-N 2.64Å; F682-Q685 VanDerWaalsContact O-N 3.16Å; F682-V686 HydrophobicContact CD1-CG2 4.26Å; F682-V686 HydrophobicContact CD2-CG2 4.39Å; F682-V686 HydrophobicContact CE1-CG2 3.8Å; F682-V686 HydrophobicContact CE2-CG2 3.93Å; F682-V686 HydrophobicContact CZ-CG2 3.61Å; F682-V686 WeakPolarHBondContact O-CG2 3.32Å; F682-V686 PolarHBondContact O-N 3.47Å; F682-M702 HydrophobicContact CZ-SD 4.13Å; F682-I705 HydrophobicContact CE1-CG2 4.28Å; F682-I705 HydrophobicContact CZ-CG2 4.49Å; F682-V706 HydrophobicContact CE1-CG2 4.26Å; F682-I709 HydrophobicContact CD1-CD1 3.59Å; F682-I709 HydrophobicContact CE1-CD1 3.61Å |
| 683 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | -179.7 | -64.7 | 171.2 | 0 | 0 | 0 | 110.9 | N679 S680 V686 W687 V706 I709 L710 C754 M761 | N679-I683 WeakPolarHBondContact O-CG1 3.42Å; N679-I683 PolarHBondContact O-N 2.77Å; N679-I683 VanDerWaalsContact O-N 3.1Å; S680-I683 PolarHBondContact O-N 2.78Å; I683-V686 PolarHBondContact O-N 2.87Å; I683-W687 WeakPolarHBondContact O-CB 3.25Å; I683-W687 PolarHBondContact O-N 3.45Å; I683-V706 HydrophobicContact CB-CG1 4.46Å; I683-V706 HydrophobicContact CD1-CG1 4.26Å; I683-V706 HydrophobicContact CG1-CB 4.44Å; I683-V706 HydrophobicContact CG1-CG1 3.98Å; I683-V706 HydrophobicContact CG1-CG2 4.23Å; I683-V706 HydrophobicContact CG2-CG1 3.8Å; I683-I709 HydrophobicContact CD1-CB 4.45Å; I683-I709 HydrophobicContact CD1-CG2 3.97Å; I683-I709 HydrophobicContact CG1-CG2 4.48Å; I683-L710 HydrophobicContact CD1-CB 4.16Å; I683-C754 VanDerWaalsContact CB-SG 3.58Å; I683-C754 WeakPolarHBondContact CD1-SG 3.45Å; I683-C754 VanDerWaalsContact CG2-SG 3.51Å; I683-M761 HydrophobicContact CG2-CE 4.44Å |
| 684 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.2 | -72.7 | 176.2 | 0 | 0 | 0 | 112.2 | S680 F682 W687 R688 M750 C754 A757 F838 | S680-L684 WeakPolarHBondContact O-CB 3.31Å; S680-L684 VanDerWaalsContact O-CG 3.25Å; S680-L684 WeakPolarHBondContact O-CG 3.32Å; S680-L684 PolarHBondContact O-N 2.91Å; F682-L684 VanDerWaalsContact C-N 3.31Å; F682-L684 PolarHBondContact O-N 3.41Å; L684-W687 HydrophobicContact CD2-CE3 4.44Å; L684-W687 PolarHBondContact O-N 2.95Å; L684-R688 PolarHBondContact O-N 3.07Å; L684-M750 HydrophobicContact CD1-CG 3.81Å; L684-M750 HydrophobicContact CD1-SD 3.33Å; L684-M750 WeakPolarHBondContact CD1-SD 3.34Å; L684-C754 HydrophobicContact CG-CB 4.48Å; L684-A757 HydrophobicContact CD2-CB 3.99Å; L684-F838 HydrophobicContact CB-CD1 3.82Å; L684-F838 HydrophobicContact CB-CE1 3.77Å; L684-F838 HydrophobicContact CB-CZ 4.42Å; L684-F838 HydrophobicContact CD1-CD1 4.45Å; L684-F838 HydrophobicContact CD2-CD1 4.41Å; L684-F838 HydrophobicContact CG-CD1 4.46Å; L684-F838 VanDerWaalsContact O-CE1 3.26Å; L684-F838 WeakPolarHBondContact O-CE1 3.48Å |
| 685 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 178 | -75.7 | 179.5 | 96.8 | 0 | 0 | 112.1 | Y595 H598 S602 K681 F682 W687 R688 D689 F838 | Y595-Q685 VanDerWaalsContact CZ-NE2 3.29Å; Y595-Q685 PolarHBondContact OH-NE2 3.02Å; H598-Q685 PolarHBondContact CD2-OE1 3.45Å; H598-Q685 VanDerWaalsContact CD2-OE1 3.27Å; S602-Q685 PolarHBondContact OG-OE1 2.99Å; K681-Q685 WeakPolarHBondContact O-CB 3.42Å; K681-Q685 VanDerWaalsContact O-CG 3.26Å; K681-Q685 WeakPolarHBondContact O-CG 3Å; K681-Q685 PolarHBondContact O-N 3.16Å; K681-Q685 PolarHBondContact O-NE2 3.37Å; F682-Q685 PolarHBondContact O-N 2.64Å; F682-Q685 VanDerWaalsContact O-N 3.16Å; Q685-W687 VanDerWaalsContact C-N 3.31Å; Q685-W687 PolarHBondContact O-N 3.42Å; Q685-R688 PolarHBondContact O-N 3.02Å; Q685-D689 WeakPolarHBondContact O-CB 3.32Å; Q685-D689 PolarHBondContact O-N 3.27Å; Q685-F838 HydrophobicContact CG-CE2 4.29Å; Q685-F838 HydrophobicContact CG-CZ 3.84Å |
| 686 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54.6 | -50.3 | 171.7 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | F682 I683 D689 W690 Y698 M702 V706 M761 | F682-V686 HydrophobicContact CD1-CG2 4.26Å; F682-V686 HydrophobicContact CD2-CG2 4.39Å; F682-V686 HydrophobicContact CE1-CG2 3.8Å; F682-V686 HydrophobicContact CE2-CG2 3.93Å; F682-V686 HydrophobicContact CZ-CG2 3.61Å; F682-V686 WeakPolarHBondContact O-CG2 3.32Å; F682-V686 PolarHBondContact O-N 3.47Å; I683-V686 PolarHBondContact O-N 2.87Å; V686-D689 PolarHBondContact O-N 2.85Å; V686-W690 PolarHBondContact O-N 2.73Å; V686-Y698 HydrophobicContact CG1-CE1 4.22Å; V686-M702 HydrophobicContact CG1-CB 3.47Å; V686-M702 VanDerWaalsContact CG1-CB 3.47Å; V686-M702 HydrophobicContact CG1-CG 3.9Å; V686-M702 HydrophobicContact CG2-CB 4.3Å; V686-M702 HydrophobicContact CG2-CE 4.45Å; V686-M702 HydrophobicContact CG2-CG 4.18Å; V686-M702 HydrophobicContact CG2-SD 4.12Å; V686-V706 HydrophobicContact CB-CG2 4.26Å; V686-V706 HydrophobicContact CG1-CG2 3.95Å; V686-V706 HydrophobicContact CG2-CG2 4.35Å; V686-M761 HydrophobicContact CG1-SD 4.08Å |
| 687 | W | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | -179.6 | 167.6 | 72.1 | 0 | 0 | 0 | 112.2 | I683 L684 Q685 D689 W690 R691 Y756 A757 D760 M761 F838 T842 V844 | I683-W687 WeakPolarHBondContact O-CB 3.25Å; I683-W687 PolarHBondContact O-N 3.45Å; L684-W687 HydrophobicContact CD2-CE3 4.44Å; L684-W687 PolarHBondContact O-N 2.95Å; Q685-W687 VanDerWaalsContact C-N 3.31Å; Q685-W687 PolarHBondContact O-N 3.42Å; W687-D689 PolarHBondContact O-N 2.97Å; W687-W690 AromaticContact CD1-CE3 3.97Å; W687-W690 AromaticContact CD1-CZ3 3.89Å; W687-W690 PolarHBondContact O-N 3.23Å; W687-R691 HydrophobicContact CD2-CG 4.37Å; W687-R691 HydrophobicContact CG-CG 4.37Å; W687-R691 HydrophobicContact CZ2-CG 4.37Å; W687-R691 WeakPolarHBondContact O-CB 3.45Å; W687-R691 WeakPolarHBondContact O-CG 3.08Å; W687-R691 PolarHBondContact O-N 3Å; W687-Y756 AromaticContact CZ2-CE1 3.97Å; W687-Y756 HydrophobicContact CZ2-CE1 3.97Å; W687-A757 HydrophobicContact CB-CB 3.7Å; W687-A757 HydrophobicContact CD2-CB 3.68Å; W687-A757 HydrophobicContact CE3-CB 4.03Å; W687-A757 HydrophobicContact CG-CB 3.53Å; W687-D760 PolarHBondContact NE1-OD2 3.3Å; W687-M761 HydrophobicContact CB-CE 4.16Å; W687-M761 HydrophobicContact CB-CG 4.46Å; W687-M761 HydrophobicContact CB-SD 4.05Å; W687-F838 HydrophobicContact CZ3-CD1 4.46Å; W687-T842 HydrophobicContact CD2-CG2 4.37Å; W687-T842 HydrophobicContact CE3-CG2 3.92Å; W687-T842 VanDerWaalsContact CH2-CB 3.43Å; W687-T842 HydrophobicContact CH2-CG2 3.34Å; W687-T842 HydrophobicContact CZ2-CG2 3.86Å; W687-T842 VanDerWaalsContact CZ3-CB 3.43Å; W687-T842 HydrophobicContact CZ3-CG2 3.38Å; W687-V844 HydrophobicContact CH2-CG2 3.53Å; W687-V844 HydrophobicContact CZ2-CG2 3.71Å |
| 688 | R | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.3 | 174.9 | -154.1 | 65 | -158.8 | -3.5 | 111.6 | S602 W603 L684 Q685 W690 R691 I692 F838 T842 | S602-R688 PolarHBondContact OG-NH1 2.91Å; S602-R688 PolarHBondContact OG-NH2 3.4Å; S602-R688 VanDerWaalsContact OG-NH2 3.13Å; W603-R688 VanDerWaalsContact CH2-CD 3.43Å; W603-R688 HydrophobicContact CH2-CG 3.85Å; W603-R688 HydrophobicContact CZ2-CG 4.3Å; W603-R688 HydrophobicContact CZ3-CG 4.31Å; L684-R688 PolarHBondContact O-N 3.07Å; Q685-R688 PolarHBondContact O-N 3.02Å; R688-W690 VanDerWaalsContact C-N 3.3Å; R688-W690 PolarHBondContact O-N 2.89Å; R688-R691 PolarHBondContact O-N 2.8Å; R688-R691 VanDerWaalsContact O-N 3.13Å; R688-I692 HydrophobicContact CG-CD1 3.62Å; R688-I692 HydrophobicContact CG-CG1 4.23Å; R688-I692 WeakPolarHBondContact O-CG1 3.43Å; R688-I692 PolarHBondContact O-N 3.22Å; R688-F838 HydrophobicContact CB-CE1 3.59Å; R688-F838 HydrophobicContact CB-CZ 3.93Å; R688-F838 HydrophobicContact CG-CE1 4.29Å; R688-F838 HydrophobicContact CG-CZ 4.35Å; R688-T842 HydrophobicContact CB-CG2 3.96Å; R688-T842 HydrophobicContact CG-CG2 4.04Å |
| 689 | D | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | -175.5 | -69.6 | -6.6 | 0 | 0 | 0 | 110.5 | I606 Q613 L614 N617 Q685 V686 W687 T693 Y698 | I606-D689 HydrophobicContact CD1-CB 4.18Å; Q613-D689 WeakPolarHBondContact CG-OD2 3.04Å; Q613-D689 PolarHBondContact NE2-OD2 2.76Å; L614-D689 HydrophobicContact CD2-CB 3.81Å; N617-D689 PolarHBondContact ND2-OD2 3.06Å; Q685-D689 WeakPolarHBondContact O-CB 3.32Å; Q685-D689 PolarHBondContact O-N 3.27Å; V686-D689 PolarHBondContact O-N 2.85Å; W687-D689 PolarHBondContact O-N 2.97Å; D689-T693 WeakPolarHBondContact O-CB 3.49Å; D689-T693 VanDerWaalsContact O-CG2 3.31Å; D689-T693 WeakPolarHBondContact O-CG2 3.19Å; D689-T693 PolarHBondContact O-N 3.46Å; D689-T693 PolarHBondContact O-OG1 3.38Å; D689-Y698 HydrophobicContact CB-CE1 4.11Å |
| 690 | W | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.7 | -48.6 | 170.5 | 161.2 | 60.7 | 0 | 0 | 0 | 112.1 | V686 W687 R688 I692 T693 Q694 H696 Y698 L699 M761 W764 | V686-W690 PolarHBondContact O-N 2.73Å; W687-W690 AromaticContact CD1-CE3 3.97Å; W687-W690 AromaticContact CD1-CZ3 3.89Å; W687-W690 PolarHBondContact O-N 3.23Å; R688-W690 VanDerWaalsContact C-N 3.3Å; R688-W690 PolarHBondContact O-N 2.89Å; W690-I692 VanDerWaalsContact C-N 3.26Å; W690-I692 PolarHBondContact O-N 3Å; W690-T693 PolarHBondContact O-N 2.85Å; W690-Q694 VanDerWaalsContact O-CA 3.31Å; W690-Q694 WeakPolarHBondContact O-CA 3.38Å; W690-Q694 PolarHBondContact O-N 3.33Å; W690-H696 AromaticContact NE1-ND1 3.52Å; W690-Y698 HydrophobicContact CB-CD1 4.23Å; W690-Y698 HydrophobicContact CB-CE1 4.42Å; W690-L699 HydrophobicContact CB-CB 4.42Å; W690-L699 HydrophobicContact CD2-CB 4.5Å; W690-L699 HydrophobicContact CD2-CD1 4.29Å; W690-L699 HydrophobicContact CD2-CD2 3.81Å; W690-L699 HydrophobicContact CD2-CG 4.44Å; W690-L699 HydrophobicContact CE3-CD1 4.49Å; W690-L699 HydrophobicContact CE3-CD2 4.39Å; W690-L699 HydrophobicContact CG-CB 3.94Å; W690-L699 HydrophobicContact CG-CD1 4.31Å; W690-L699 HydrophobicContact CG-CD2 4.12Å; W690-L699 HydrophobicContact CG-CG 4.35Å; W690-L699 HydrophobicContact CZ2-CD2 4.02Å; W690-M761 HydrophobicContact CE3-CG 3.65Å; W690-M761 HydrophobicContact CE3-SD 4.46Å; W690-M761 HydrophobicContact CZ3-CB 4.4Å; W690-M761 HydrophobicContact CZ3-CG 3.68Å; W690-W764 HydrophobicContact CH2-CB 3.62Å; W690-W764 AromaticContact CH2-CD2 3.92Å; W690-W764 HydrophobicContact CH2-CD2 3.92Å; W690-W764 HydrophobicContact CH2-CE3 4.25Å; W690-W764 AromaticContact CH2-CG 3.6Å; W690-W764 HydrophobicContact CH2-CG 3.6Å; W690-W764 HydrophobicContact CZ2-CB 4.02Å; W690-W764 AromaticContact CZ2-CD1 3.99Å; W690-W764 AromaticContact CZ2-CD2 3.33Å; W690-W764 HydrophobicContact CZ2-CD2 3.33Å; W690-W764 AromaticContact CZ2-CE2 3.81Å; W690-W764 AromaticContact CZ2-CE3 3.52Å; W690-W764 HydrophobicContact CZ2-CE3 3.52Å; W690-W764 AromaticContact CZ2-CG 3.52Å; W690-W764 HydrophobicContact CZ2-CG 3.52Å; W690-W764 HydrophobicContact CZ2-CZ2 4.45Å; W690-W764 HydrophobicContact CZ2-CZ3 4.18Å |
| 691 | R | 95.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 14.6 Ų | 14.6 | 12% | 0.117 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -35.6 | -178.7 | -74.6 | -68.2 | -61.9 | -99.5 | -7.8 | 113 | W687 R688 Q694 D760 T842 | W687-R691 HydrophobicContact CD2-CG 4.37Å; W687-R691 HydrophobicContact CG-CG 4.37Å; W687-R691 HydrophobicContact CZ2-CG 4.37Å; W687-R691 WeakPolarHBondContact O-CB 3.45Å; W687-R691 WeakPolarHBondContact O-CG 3.08Å; W687-R691 PolarHBondContact O-N 3Å; R688-R691 PolarHBondContact O-N 2.8Å; R688-R691 VanDerWaalsContact O-N 3.13Å; R691-Q694 PolarHBondContact O-NE2 3.17Å; R691-D760 IonicContact CZ-OD2 2.83Å; R691-D760 IonicContact NH1-OD1 3.9Å; R691-D760 IonicContact NH1-OD2 3.6Å; R691-D760 PolarHBondContact NH1-OD2 3.44Å; R691-T842 HydrophobicContact CB-CG2 4.07Å; R691-T842 HydrophobicContact CG-CG2 4.39Å |
| 692 | I | 95 | Very high | 97.9 | Very high | 37 Ų | 37 | 14.6 Ų | 14.6 | 19% | 0.19 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -81.3 | -43.1 | 178.9 | -67.6 | 177.6 | 0 | 0 | 0 | 111.5 | W603 I606 R688 W690 | W603-I692 HydrophobicContact CH2-CD1 4.39Å; W603-I692 HydrophobicContact CZ3-CD1 3.8Å; I606-I692 HydrophobicContact CG1-CB 4.23Å; I606-I692 HydrophobicContact CG1-CD1 3.96Å; I606-I692 HydrophobicContact CG1-CG2 4.06Å; I606-I692 HydrophobicContact CG2-CD1 4.06Å; R688-I692 HydrophobicContact CG-CD1 3.62Å; R688-I692 HydrophobicContact CG-CG1 4.23Å; R688-I692 WeakPolarHBondContact O-CG1 3.43Å; R688-I692 PolarHBondContact O-N 3.22Å; W690-I692 VanDerWaalsContact C-N 3.26Å; W690-I692 PolarHBondContact O-N 3Å |
| 693 | T | 97 | Very high | 97.8 | Very high | 44 Ų | 44 | 14.7 Ų | 14.7 | 27% | 0.27 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -88.1 | -17.9 | -172.5 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | I606 P610 L614 D689 W690 D695 | I606-T693 HydrophobicContact CD1-CG2 3.79Å; P610-T693 HydrophobicContact CB-CG2 4.1Å; L614-T693 HydrophobicContact CD1-CG2 4.14Å; L614-T693 HydrophobicContact CD2-CG2 4.3Å; L614-T693 HydrophobicContact CG-CG2 4.41Å; D689-T693 WeakPolarHBondContact O-CB 3.49Å; D689-T693 VanDerWaalsContact O-CG2 3.31Å; D689-T693 WeakPolarHBondContact O-CG2 3.19Å; D689-T693 PolarHBondContact O-N 3.46Å; D689-T693 PolarHBondContact O-OG1 3.38Å; W690-T693 PolarHBondContact O-N 2.85Å; T693-D695 PolarHBondContact O-N 2.58Å; T693-D695 VanDerWaalsContact O-N 3.14Å; T693-D695 WeakPolarHBondContact OG1-CB 3.48Å; T693-D695 PolarHBondContact OG1-N 2.54Å |
| 694 | Q | 96.4 | Very high | 97.7 | Very high | 62 Ų | 62 | 15.1 Ų | 15.1 | 29% | 0.29 | 8% | 0.075 | S | C | . | . | trans | 52.2 | 27.1 | -169.2 | -60.5 | -64.8 | -51.8 | 0 | 0 | 112.7 | W690 R691 H696 | W690-Q694 VanDerWaalsContact O-CA 3.31Å; W690-Q694 WeakPolarHBondContact O-CA 3.38Å; W690-Q694 PolarHBondContact O-N 3.33Å; R691-Q694 PolarHBondContact O-NE2 3.17Å; Q694-H696 PolarHBondContact O-CE1 3.45Å; Q694-H696 PolarHBondContact O-N 2.89Å; Q694-H696 VanDerWaalsContact O-N 3.07Å; Q694-H696 PolarHBondContact O-ND1 2.77Å; Q694-H696 PolarHBondContact O-NE2 3.2Å | ||
| 695 | D | 98 | Very high | 97.7 | Very high | 32 Ų | 32 | 15.1 Ų | 15.1 | 17% | 0.171 | 8% | 0.075 | C | C | . | . | trans | -78.3 | 95.3 | 176.7 | -169.9 | -27.1 | 0 | 0 | 0 | 109.9 | H570 T693 Q697 Y698 L699 | H570-D695 IonicContact CD2-OD1 3.79Å; H570-D695 IonicContact CD2-OD2 2.62Å; H570-D695 IonicContact CE1-OD1 2.85Å; H570-D695 IonicContact CE1-OD2 3.88Å; H570-D695 VanDerWaalsContact NE2-CG 3.29Å; H570-D695 IonicContact NE2-OD1 3.15Å; H570-D695 PolarHBondContact NE2-OD1 3.14Å; H570-D695 IonicContact NE2-OD2 2.6Å; H570-D695 PolarHBondContact NE2-OD2 3Å; T693-D695 PolarHBondContact O-N 2.58Å; T693-D695 VanDerWaalsContact O-N 3.14Å; T693-D695 WeakPolarHBondContact OG1-CB 3.48Å; T693-D695 PolarHBondContact OG1-N 2.54Å; D695-Q697 VanDerWaalsContact C-N 3.34Å; D695-Q697 PolarHBondContact OD1-N 3.42Å; D695-Y698 VanDerWaalsContact CG-CB 3.48Å; D695-Y698 WeakPolarHBondContact O-CB 3.47Å; D695-Y698 PolarHBondContact O-N 2.91Å; D695-Y698 PolarHBondContact OD1-N 2.82Å; D695-L699 PolarHBondContact O-N 3.18Å; D695-L699 VanDerWaalsContact O-N 3.12Å | ||
| 696 | H | 97.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 15.1 Ų | 15.1 | 20% | 0.204 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.9 | -27.7 | -176.4 | -51.9 | -40.4 | 0 | 0 | 0 | 113 | W690 Q694 L699 L700 W764 P771 V772 | W690-H696 AromaticContact NE1-ND1 3.52Å; Q694-H696 PolarHBondContact O-CE1 3.45Å; Q694-H696 PolarHBondContact O-N 2.89Å; Q694-H696 VanDerWaalsContact O-N 3.07Å; Q694-H696 PolarHBondContact O-ND1 2.77Å; Q694-H696 PolarHBondContact O-NE2 3.2Å; H696-L699 PolarHBondContact O-N 2.96Å; H696-L700 WeakPolarHBondContact O-CG 3.29Å; H696-L700 PolarHBondContact O-N 2.61Å; H696-W764 HydrophobicContact CB-CH2 4.42Å; H696-W764 AromaticContact CD2-CH2 3.97Å; H696-W764 AromaticContact CE1-CH2 3.17Å; H696-W764 WeakPolarHBondContact CE1-CH2 3.22Å; H696-W764 AromaticContact CE1-CZ2 3.34Å; H696-W764 WeakPolarHBondContact CE1-CZ2 3.48Å; H696-W764 AromaticContact CG-CH2 3.6Å; H696-W764 AromaticContact ND1-CH2 3.07Å; H696-W764 WeakPolarHBondContact ND1-CH2 3.26Å; H696-W764 AromaticContact ND1-CZ2 3.73Å; H696-W764 AromaticContact ND1-CZ3 3.72Å; H696-W764 AromaticContact NE2-CH2 3.71Å; H696-W764 AromaticContact NE2-CZ2 3.9Å; H696-P771 WeakPolarHBondContact CD2-CG 3.13Å; H696-V772 HydrophobicContact CB-CG1 3.77Å |
| 697 | Q | 97.2 | Very high | 97.6 | Very high | 49 Ų | 49 | 15.2 Ų | 15.2 | 23% | 0.229 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.4 | -34.7 | 174.6 | -69.4 | -60 | -41.2 | 0 | 0 | 111.1 | H570 D695 L700 Y701 | H570-Q697 HydrophobicContact CB-CB 3.77Å; H570-Q697 HydrophobicContact CB-CG 4.34Å; H570-Q697 WeakPolarHBondContact CD2-CB 3.42Å; H570-Q697 VanDerWaalsContact CG-CB 3.48Å; D695-Q697 VanDerWaalsContact C-N 3.34Å; D695-Q697 PolarHBondContact OD1-N 3.42Å; Q697-L700 PolarHBondContact O-N 3.22Å; Q697-Y701 PolarHBondContact O-N 3.11Å; Q697-Y701 VanDerWaalsContact O-N 3.08Å |
| 698 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 166.9 | 174 | -85.7 | 0 | 0 | 0 | 112.5 | L614 N617 Y618 V686 D689 W690 D695 L700 Y701 M702 | L614-Y698 HydrophobicContact CB-CD2 4.4Å; L614-Y698 HydrophobicContact CB-CE2 4.36Å; L614-Y698 HydrophobicContact CD2-CD1 4.37Å; L614-Y698 HydrophobicContact CD2-CD2 3.74Å; L614-Y698 HydrophobicContact CD2-CE1 4.24Å; L614-Y698 HydrophobicContact CD2-CE2 3.61Å; L614-Y698 HydrophobicContact CD2-CG 4.14Å; L614-Y698 HydrophobicContact CG-CD2 4.5Å; N617-Y698 PolarHBondContact ND2-OH 2.85Å; Y618-Y698 HydrophobicContact CD1-CD2 4.23Å; Y618-Y698 HydrophobicContact CD1-CE2 4.32Å; Y618-Y698 HydrophobicContact CD2-CD2 4.08Å; Y618-Y698 HydrophobicContact CD2-CE2 4.31Å; Y618-Y698 AromaticContact CE1-CD2 3.67Å; Y618-Y698 HydrophobicContact CE1-CD2 3.67Å; Y618-Y698 HydrophobicContact CE1-CE2 4.18Å; Y618-Y698 HydrophobicContact CE1-CG 4.45Å; Y618-Y698 AromaticContact CE2-CD2 3.54Å; Y618-Y698 HydrophobicContact CE2-CD2 3.54Å; Y618-Y698 HydrophobicContact CE2-CE2 4.21Å; Y618-Y698 HydrophobicContact CG-CD2 4.43Å; Y618-Y698 HydrophobicContact CG-CE2 4.39Å; Y618-Y698 AromaticContact CZ-CD2 3.33Å; Y618-Y698 WeakPolarHBondContact OH-CA 3.4Å; Y618-Y698 WeakPolarHBondContact OH-CB 3.31Å; V686-Y698 HydrophobicContact CG1-CE1 4.22Å; D689-Y698 HydrophobicContact CB-CE1 4.11Å; W690-Y698 HydrophobicContact CB-CD1 4.23Å; W690-Y698 HydrophobicContact CB-CE1 4.42Å; D695-Y698 VanDerWaalsContact CG-CB 3.48Å; D695-Y698 WeakPolarHBondContact O-CB 3.47Å; D695-Y698 PolarHBondContact O-N 2.91Å; D695-Y698 PolarHBondContact OD1-N 2.82Å; Y698-L700 PolarHBondContact O-N 2.86Å; Y698-Y701 PolarHBondContact O-N 3.48Å; Y698-M702 HydrophobicContact CD1-CG 4.23Å; Y698-M702 HydrophobicContact CD2-CE 4.15Å; Y698-M702 HydrophobicContact CD2-CG 4.41Å; Y698-M702 HydrophobicContact CE1-CG 3.93Å; Y698-M702 HydrophobicContact CE2-CE 3.31Å; Y698-M702 HydrophobicContact CE2-CG 4.11Å; Y698-M702 HydrophobicContact CG-CG 4.46Å; Y698-M702 WeakPolarHBondContact O-CB 3.42Å; Y698-M702 VanDerWaalsContact O-CG 3.26Å; Y698-M702 WeakPolarHBondContact O-CG 3.4Å; Y698-M702 PolarHBondContact O-N 2.91Å |
| 699 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 175.8 | 176.9 | 59.9 | 0 | 0 | 0 | 111.9 | W690 D695 H696 Y701 M702 L703 M761 W764 C765 | W690-L699 HydrophobicContact CB-CB 4.42Å; W690-L699 HydrophobicContact CD2-CB 4.5Å; W690-L699 HydrophobicContact CD2-CD1 4.29Å; W690-L699 HydrophobicContact CD2-CD2 3.81Å; W690-L699 HydrophobicContact CD2-CG 4.44Å; W690-L699 HydrophobicContact CE3-CD1 4.49Å; W690-L699 HydrophobicContact CE3-CD2 4.39Å; W690-L699 HydrophobicContact CG-CB 3.94Å; W690-L699 HydrophobicContact CG-CD1 4.31Å; W690-L699 HydrophobicContact CG-CD2 4.12Å; W690-L699 HydrophobicContact CG-CG 4.35Å; W690-L699 HydrophobicContact CZ2-CD2 4.02Å; D695-L699 PolarHBondContact O-N 3.18Å; D695-L699 VanDerWaalsContact O-N 3.12Å; H696-L699 PolarHBondContact O-N 2.96Å; L699-Y701 VanDerWaalsContact C-N 3.27Å; L699-Y701 PolarHBondContact O-N 2.93Å; L699-M702 PolarHBondContact O-N 2.77Å; L699-M702 VanDerWaalsContact O-N 3.13Å; L699-L703 HydrophobicContact CD1-CB 4.48Å; L699-L703 VanDerWaalsContact O-CB 3.28Å; L699-L703 WeakPolarHBondContact O-CB 3.49Å; L699-L703 PolarHBondContact O-N 3.14Å; L699-M761 HydrophobicContact CD1-CB 3.95Å; L699-M761 HydrophobicContact CD1-CG 3.69Å; L699-M761 HydrophobicContact CD1-SD 3.39Å; L699-M761 WeakPolarHBondContact CD1-SD 3.44Å; L699-W764 HydrophobicContact CD2-CE3 3.92Å; L699-W764 HydrophobicContact CD2-CZ3 4.03Å; L699-C765 WeakPolarHBondContact CD2-SG 3.34Å |
| 700 | L | 97.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.6 | -37.9 | -179.8 | -74.4 | 178.5 | 0 | 0 | 0 | 113 | M563 H696 Q697 Y698 P704 V772 I776 | M563-L700 HydrophobicContact CG-CD1 4.34Å; M563-L700 HydrophobicContact CG-CD2 4.46Å; M563-L700 HydrophobicContact SD-CD2 4.04Å; H696-L700 WeakPolarHBondContact O-CG 3.29Å; H696-L700 PolarHBondContact O-N 2.61Å; Q697-L700 PolarHBondContact O-N 3.22Å; Y698-L700 PolarHBondContact O-N 2.86Å; L700-P704 VanDerWaalsContact O-CD 3.25Å; L700-P704 WeakPolarHBondContact O-CD 3.41Å; L700-V772 HydrophobicContact CD1-CB 4.1Å; L700-V772 HydrophobicContact CD1-CG1 3.65Å; L700-V772 HydrophobicContact CD2-CB 4.05Å; L700-V772 HydrophobicContact CD2-CG1 4.35Å; L700-V772 HydrophobicContact CD2-CG2 4.29Å; L700-V772 HydrophobicContact CG-CB 4.25Å; L700-V772 HydrophobicContact CG-CG1 3.99Å; L700-I776 HydrophobicContact CD2-CD1 3.67Å; L700-I776 HydrophobicContact CD2-CG1 4Å |
| 701 | Y | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.6 | -171 | -94 | 0 | 0 | 0 | 112.3 | T549 R551 W568 R571 Y618 D622 Q697 Y698 L699 I705 | T549-Y701 HydrophobicContact CG2-CE1 4.38Å; T549-Y701 HydrophobicContact CG2-CE2 3.93Å; T549-Y701 WeakPolarHBondContact CG2-OH 3.44Å; R551-Y701 PolarHBondContact NH2-OH 3.17Å; W568-Y701 HydrophobicContact CB-CE2 4.39Å; W568-Y701 AromaticContact CE3-CE2 3.97Å; W568-Y701 HydrophobicContact CE3-CE2 3.97Å; R571-Y701 HydrophobicContact CB-CD2 4.14Å; R571-Y701 HydrophobicContact CB-CE2 4.15Å; R571-Y701 HydrophobicContact CB-CG 4.4Å; R571-Y701 HydrophobicContact CG-CE1 4.13Å; R571-Y701 HydrophobicContact CG-CE2 4.22Å; Y618-Y701 AromaticContact CD1-CD1 3.57Å; Y618-Y701 HydrophobicContact CD1-CD1 3.57Å; Y618-Y701 AromaticContact CD1-CE1 3.84Å; Y618-Y701 HydrophobicContact CD1-CE1 3.84Å; Y618-Y701 HydrophobicContact CD1-CG 4.32Å; Y618-Y701 AromaticContact CE1-CD1 3.41Å; Y618-Y701 HydrophobicContact CE1-CD1 3.41Å; Y618-Y701 VanDerWaalsContact CE1-CD1 3.41Å; Y618-Y701 HydrophobicContact CE1-CE1 4.1Å; Y618-Y701 AromaticContact CE1-CG 3.73Å; Y618-Y701 HydrophobicContact CE1-CG 3.73Å; D622-Y701 PolarHBondContact OD1-OH 2.77Å; Q697-Y701 PolarHBondContact O-N 3.11Å; Q697-Y701 VanDerWaalsContact O-N 3.08Å; Y698-Y701 PolarHBondContact O-N 3.48Å; L699-Y701 VanDerWaalsContact C-N 3.27Å; L699-Y701 PolarHBondContact O-N 2.93Å; Y701-I705 HydrophobicContact CD1-CD1 4.13Å; Y701-I705 HydrophobicContact CE1-CD1 3.92Å |
| 702 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -79 | -30.5 | -172.2 | -68 | -63.3 | -163.8 | 0 | 0 | 113.4 | N617 Y618 A621 F682 V686 Y698 L699 I705 V706 | N617-M702 HydrophobicContact CB-CE 4.42Å; N617-M702 WeakPolarHBondContact O-CE 3.12Å; Y618-M702 HydrophobicContact CD1-CE 3.47Å; Y618-M702 VanDerWaalsContact CD1-CE 3.47Å; Y618-M702 HydrophobicContact CD1-SD 4.34Å; Y618-M702 HydrophobicContact CE1-CE 4.03Å; Y618-M702 HydrophobicContact CG-CE 4.04Å; A621-M702 HydrophobicContact CB-CE 3.91Å; A621-M702 HydrophobicContact CB-SD 3.56Å; A621-M702 VanDerWaalsContact CB-SD 3.56Å; F682-M702 HydrophobicContact CZ-SD 4.13Å; V686-M702 HydrophobicContact CG1-CB 3.47Å; V686-M702 VanDerWaalsContact CG1-CB 3.47Å; V686-M702 HydrophobicContact CG1-CG 3.9Å; V686-M702 HydrophobicContact CG2-CB 4.3Å; V686-M702 HydrophobicContact CG2-CE 4.45Å; V686-M702 HydrophobicContact CG2-CG 4.18Å; V686-M702 HydrophobicContact CG2-SD 4.12Å; Y698-M702 HydrophobicContact CD1-CG 4.23Å; Y698-M702 HydrophobicContact CD2-CE 4.15Å; Y698-M702 HydrophobicContact CD2-CG 4.41Å; Y698-M702 HydrophobicContact CE1-CG 3.93Å; Y698-M702 HydrophobicContact CE2-CE 3.31Å; Y698-M702 HydrophobicContact CE2-CG 4.11Å; Y698-M702 HydrophobicContact CG-CG 4.46Å; Y698-M702 WeakPolarHBondContact O-CB 3.42Å; Y698-M702 VanDerWaalsContact O-CG 3.26Å; Y698-M702 WeakPolarHBondContact O-CG 3.4Å; Y698-M702 PolarHBondContact O-N 2.91Å; L699-M702 PolarHBondContact O-N 2.77Å; L699-M702 VanDerWaalsContact O-N 3.13Å; M702-I705 WeakPolarHBondContact O-CB 3.41Å; M702-I705 PolarHBondContact O-N 3.31Å; M702-I705 VanDerWaalsContact O-N 3.07Å; M702-I705 HydrophobicContact SD-CD1 4.46Å; M702-V706 WeakPolarHBondContact O-CG2 3.28Å; M702-V706 PolarHBondContact O-N 2.69Å |
| 703 | L | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | -169.4 | -171.9 | 66.9 | 0 | 0 | 0 | 113.7 | L699 I705 V706 L707 M761 L762 I776 W787 | L699-L703 HydrophobicContact CD1-CB 4.48Å; L699-L703 VanDerWaalsContact O-CB 3.28Å; L699-L703 WeakPolarHBondContact O-CB 3.49Å; L699-L703 PolarHBondContact O-N 3.14Å; L703-I705 VanDerWaalsContact C-N 3.25Å; L703-I705 PolarHBondContact O-N 3.37Å; L703-V706 PolarHBondContact O-N 3.45Å; L703-L707 WeakPolarHBondContact O-CG 3.14Å; L703-L707 PolarHBondContact O-N 3.33Å; L703-M761 HydrophobicContact CD1-CB 4.02Å; L703-M761 HydrophobicContact CD1-CE 4.5Å; L703-L762 HydrophobicContact CD1-CD2 4.19Å; L703-L762 HydrophobicContact CD1-CG 4.42Å; L703-L762 HydrophobicContact CD2-CD2 4.04Å; L703-L762 HydrophobicContact CG-CD2 4.43Å; L703-I776 HydrophobicContact CD2-CD1 4.07Å; L703-W787 HydrophobicContact CD2-CE3 3.92Å; L703-W787 HydrophobicContact CD2-CH2 4.11Å; L703-W787 HydrophobicContact CD2-CZ3 3.52Å; L703-W787 HydrophobicContact CG-CE3 4.39Å; L703-W787 HydrophobicContact CG-CH2 4.14Å; L703-W787 HydrophobicContact CG-CZ3 3.59Å |
| 704 | P | 96.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -36.5 | 173.9 | -22.3 | 32.3 | 0 | 0 | 0 | 113.2 | L548 L700 R708 W787 | L548-P704 HydrophobicContact CB-CB 4.5Å; L548-P704 HydrophobicContact CD2-CB 4.49Å; L700-P704 VanDerWaalsContact O-CD 3.25Å; L700-P704 WeakPolarHBondContact O-CD 3.41Å; P704-R708 PolarHBondContact O-N 2.67Å; P704-W787 HydrophobicContact CG-CH2 4.04Å |
| 705 | I | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -47.6 | 179.7 | -53.7 | 167.8 | 0 | 0 | 0 | 109.6 | L548 A621 I625 F682 Y701 M702 L703 L707 R708 I709 | L548-I705 HydrophobicContact CB-CG1 4.45Å; L548-I705 HydrophobicContact CD1-CG1 4.42Å; A621-I705 HydrophobicContact CB-CD1 3.94Å; I625-I705 HydrophobicContact CD1-CD1 3.69Å; I625-I705 HydrophobicContact CD1-CG1 3.93Å; I625-I705 HydrophobicContact CG1-CD1 4.28Å; I625-I705 HydrophobicContact CG1-CG1 4.18Å; I625-I705 HydrophobicContact CG1-CG2 4.06Å; F682-I705 HydrophobicContact CE1-CG2 4.28Å; F682-I705 HydrophobicContact CZ-CG2 4.49Å; Y701-I705 HydrophobicContact CD1-CD1 4.13Å; Y701-I705 HydrophobicContact CE1-CD1 3.92Å; M702-I705 WeakPolarHBondContact O-CB 3.41Å; M702-I705 PolarHBondContact O-N 3.31Å; M702-I705 VanDerWaalsContact O-N 3.07Å; M702-I705 HydrophobicContact SD-CD1 4.46Å; L703-I705 VanDerWaalsContact C-N 3.25Å; L703-I705 PolarHBondContact O-N 3.37Å; I705-L707 VanDerWaalsContact C-N 3.34Å; I705-L707 PolarHBondContact O-N 3.22Å; I705-R708 PolarHBondContact O-N 3.27Å; I705-I709 HydrophobicContact CG2-CD1 3.83Å; I705-I709 HydrophobicContact CG2-CG1 4.49Å; I705-I709 VanDerWaalsContact O-CG1 3.3Å; I705-I709 WeakPolarHBondContact O-CG1 3.47Å; I705-I709 PolarHBondContact O-N 2.82Å |
| 706 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.6 | -48.3 | 175.2 | 162.7 | 0 | 0 | 0 | 0 | 111.3 | F682 I683 V686 M702 L703 R708 I709 L710 T758 M761 | F682-V706 HydrophobicContact CE1-CG2 4.26Å; I683-V706 HydrophobicContact CB-CG1 4.46Å; I683-V706 HydrophobicContact CD1-CG1 4.26Å; I683-V706 HydrophobicContact CG1-CB 4.44Å; I683-V706 HydrophobicContact CG1-CG1 3.98Å; I683-V706 HydrophobicContact CG1-CG2 4.23Å; I683-V706 HydrophobicContact CG2-CG1 3.8Å; V686-V706 HydrophobicContact CB-CG2 4.26Å; V686-V706 HydrophobicContact CG1-CG2 3.95Å; V686-V706 HydrophobicContact CG2-CG2 4.35Å; M702-V706 WeakPolarHBondContact O-CG2 3.28Å; M702-V706 PolarHBondContact O-N 2.69Å; L703-V706 PolarHBondContact O-N 3.45Å; V706-R708 VanDerWaalsContact C-N 3.34Å; V706-R708 PolarHBondContact O-N 2.84Å; V706-I709 PolarHBondContact O-N 3.15Å; V706-L710 WeakPolarHBondContact O-CB 3.34Å; V706-L710 PolarHBondContact O-N 3.24Å; V706-T758 HydrophobicContact CG1-CG2 4.28Å; V706-M761 HydrophobicContact CG1-CE 3.92Å; V706-M761 HydrophobicContact CG2-CE 4.37Å |
| 707 | L | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | -178.5 | -69.6 | -167.8 | 0 | 0 | 0 | 113 | L703 I705 L710 R711 T758 L762 D781 W787 I790 | L703-L707 WeakPolarHBondContact O-CG 3.14Å; L703-L707 PolarHBondContact O-N 3.33Å; I705-L707 VanDerWaalsContact C-N 3.34Å; I705-L707 PolarHBondContact O-N 3.22Å; L707-L710 PolarHBondContact O-N 2.68Å; L707-R711 WeakPolarHBondContact O-CG 3.34Å; L707-R711 PolarHBondContact O-N 3.27Å; L707-R711 PolarHBondContact O-NE 2.75Å; L707-R711 VanDerWaalsContact O-NE 3.08Å; L707-T758 HydrophobicContact CD2-CG2 3.58Å; L707-L762 HydrophobicContact CD2-CD1 4.17Å; L707-D781 HydrophobicContact CD1-CB 4.5Å; L707-W787 HydrophobicContact CD1-CE3 3.74Å; L707-W787 HydrophobicContact CD1-CH2 4Å; L707-W787 HydrophobicContact CD1-CZ3 3.19Å; L707-W787 HydrophobicContact CG-CZ3 4.07Å; L707-I790 HydrophobicContact CD1-CD1 3.93Å; L707-I790 HydrophobicContact CD1-CG2 3.92Å; L707-I790 HydrophobicContact CD2-CG2 4Å |
| 708 | R | 96.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 15% | 0.151 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.6 | -44.2 | 177.6 | -171.3 | 174.5 | 177.3 | 76.5 | 10.5 | 111.3 | Y546 L548 E646 C647 P704 I705 V706 L710 R711 K712 D782 | Y546-R708 VanDerWaalsContact CD1-CZ 3.43Å; Y546-R708 VanDerWaalsContact CD2-NE 3.34Å; L548-R708 HydrophobicContact CD1-CB 4.48Å; E646-R708 IonicContact OE1-NH2 2.86Å; E646-R708 PolarHBondContact OE1-NH2 2.95Å; C647-R708 WeakPolarHBondContact SG-CD 3.39Å; C647-R708 PolarHBondContact SG-NE 3.37Å; C647-R708 VanDerWaalsContact SG-NE 3.44Å; P704-R708 PolarHBondContact O-N 2.67Å; I705-R708 PolarHBondContact O-N 3.27Å; V706-R708 VanDerWaalsContact C-N 3.34Å; V706-R708 PolarHBondContact O-N 2.84Å; R708-L710 VanDerWaalsContact C-N 3.33Å; R708-L710 PolarHBondContact O-N 3.1Å; R708-R711 PolarHBondContact O-N 2.76Å; R708-K712 WeakPolarHBondContact O-CG 3.18Å; R708-K712 PolarHBondContact O-N 3.48Å; R708-D782 IonicContact CZ-OD2 3.32Å; R708-D782 IonicContact NH1-OD2 2.7Å; R708-D782 PolarHBondContact NH1-OD2 2.85Å |
| 709 | I | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 175.2 | -69.4 | 168.8 | 0 | 0 | 0 | 110.7 | T624 C647 V649 N679 F682 I683 I705 V706 K712 S713 | T624-I709 HydrophobicContact CG2-CD1 3.61Å; T624-I709 HydrophobicContact CG2-CG1 4.18Å; C647-I709 HydrophobicContact CB-CG1 4.22Å; V649-I709 HydrophobicContact CG2-CD1 4.25Å; N679-I709 HydrophobicContact CB-CG2 3.55Å; N679-I709 VanDerWaalsContact CG-CG2 3.47Å; F682-I709 HydrophobicContact CD1-CD1 3.59Å; F682-I709 HydrophobicContact CE1-CD1 3.61Å; I683-I709 HydrophobicContact CD1-CB 4.45Å; I683-I709 HydrophobicContact CD1-CG2 3.97Å; I683-I709 HydrophobicContact CG1-CG2 4.48Å; I705-I709 HydrophobicContact CG2-CD1 3.83Å; I705-I709 HydrophobicContact CG2-CG1 4.49Å; I705-I709 VanDerWaalsContact O-CG1 3.3Å; I705-I709 WeakPolarHBondContact O-CG1 3.47Å; I705-I709 PolarHBondContact O-N 2.82Å; V706-I709 PolarHBondContact O-N 3.15Å; I709-K712 PolarHBondContact O-N 2.92Å; I709-S713 WeakPolarHBondContact O-CB 3.48Å; I709-S713 PolarHBondContact O-N 2.75Å; I709-S713 PolarHBondContact O-OG 3.16Å |
| 710 | L | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 179.8 | -179.4 | 141.3 | 0 | 0 | 0 | 111.5 | I683 V706 L707 R708 K712 S713 L714 W751 L755 T758 V794 | I683-L710 HydrophobicContact CD1-CB 4.16Å; V706-L710 WeakPolarHBondContact O-CB 3.34Å; V706-L710 PolarHBondContact O-N 3.24Å; L707-L710 PolarHBondContact O-N 2.68Å; R708-L710 VanDerWaalsContact C-N 3.33Å; R708-L710 PolarHBondContact O-N 3.1Å; L710-K712 PolarHBondContact O-N 3.13Å; L710-S713 PolarHBondContact O-N 2.96Å; L710-L714 HydrophobicContact CD2-CD1 3.79Å; L710-L714 HydrophobicContact CG-CD1 4.45Å; L710-L714 PolarHBondContact O-N 3.27Å; L710-W751 HydrophobicContact CG-CH2 4.03Å; L710-W751 HydrophobicContact CG-CZ2 4.32Å; L710-L755 HydrophobicContact CD1-CD2 3.89Å; L710-L755 HydrophobicContact CG-CD2 4.44Å; L710-T758 HydrophobicContact CD1-CG2 4.06Å; L710-T758 WeakPolarHBondContact CD1-OG1 3.49Å; L710-V794 HydrophobicContact CD2-CG2 4.48Å |
| 711 | R | 96.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.3 | -75.7 | 176.9 | -77.4 | 177.5 | -11.5 | 112.7 | L707 R708 S713 L714 V715 D781 D782 T783 | L707-R711 WeakPolarHBondContact O-CG 3.34Å; L707-R711 PolarHBondContact O-N 3.27Å; L707-R711 PolarHBondContact O-NE 2.75Å; L707-R711 VanDerWaalsContact O-NE 3.08Å; R708-R711 PolarHBondContact O-N 2.76Å; R711-S713 VanDerWaalsContact C-N 3.31Å; R711-S713 PolarHBondContact O-N 3.29Å; R711-L714 PolarHBondContact O-N 3.4Å; R711-V715 WeakPolarHBondContact O-CG2 3.39Å; R711-V715 PolarHBondContact O-N 3.37Å; R711-D781 IonicContact CZ-OD2 2.74Å; R711-D781 IonicContact NH1-OD2 2.86Å; R711-D781 PolarHBondContact NH1-OD2 3.25Å; R711-D781 IonicContact NH2-OD2 3.9Å; R711-D781 PolarHBondContact NH2-OD2 3.03Å; R711-D782 IonicContact CZ-OD1 3.15Å; R711-D782 IonicContact NH1-OD1 3.09Å; R711-D782 PolarHBondContact NH1-OD1 3.48Å; R711-D782 IonicContact NH2-OD1 2.72Å; R711-D782 PolarHBondContact NH2-OD1 3.06Å; R711-T783 PolarHBondContact NH1-OG1 3.07Å; R711-T783 VanDerWaalsContact NH1-OG1 3.09Å |
| 712 | K | 95.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.7 | -72.4 | -167.1 | 79.9 | 176.2 | 0 | 112.2 | E646 C647 R708 I709 L710 A716 | E646-K712 PolarHBondContact O-NZ 3.3Å; E646-K712 IonicContact OE1-NZ 3.21Å; E646-K712 PolarHBondContact OE1-NZ 3.42Å; C647-K712 HydrophobicContact CB-CD 3.88Å; R708-K712 WeakPolarHBondContact O-CG 3.18Å; R708-K712 PolarHBondContact O-N 3.48Å; I709-K712 PolarHBondContact O-N 2.92Å; L710-K712 PolarHBondContact O-N 3.13Å; K712-A716 WeakPolarHBondContact O-CB 3.28Å; K712-A716 PolarHBondContact O-N 2.89Å |
| 713 | S | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | N679 I709 L710 R711 A716 W717 | N679-S713 PolarHBondContact ND2-OG 3.02Å; I709-S713 WeakPolarHBondContact O-CB 3.48Å; I709-S713 PolarHBondContact O-N 2.75Å; I709-S713 PolarHBondContact O-OG 3.16Å; L710-S713 PolarHBondContact O-N 2.96Å; R711-S713 VanDerWaalsContact C-N 3.31Å; R711-S713 PolarHBondContact O-N 3.29Å; S713-A716 PolarHBondContact O-N 3Å; S713-W717 WeakPolarHBondContact O-CB 3.27Å; S713-W717 PolarHBondContact O-N 3.12Å |
| 714 | L | 97 | Very high | 96.6 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -53 | 174.4 | -72.5 | 163.5 | 0 | 0 | 0 | 111.6 | L710 R711 A716 W717 D718 W751 L797 | L710-L714 HydrophobicContact CD2-CD1 3.79Å; L710-L714 HydrophobicContact CG-CD1 4.45Å; L710-L714 PolarHBondContact O-N 3.27Å; R711-L714 PolarHBondContact O-N 3.4Å; L714-A716 PolarHBondContact O-N 2.86Å; L714-W717 PolarHBondContact O-N 2.82Å; L714-D718 HydrophobicContact CD2-CB 4.21Å; L714-D718 WeakPolarHBondContact O-CB 3.35Å; L714-D718 PolarHBondContact O-N 2.91Å; L714-W751 HydrophobicContact CD1-CZ2 4.33Å; L714-W751 HydrophobicContact CD2-CZ2 3.57Å; L714-W751 HydrophobicContact CG-CH2 4.23Å; L714-W751 HydrophobicContact CG-CZ2 3.63Å; L714-L797 HydrophobicContact CD1-CD2 3.39Å; L714-L797 HydrophobicContact CD2-CD1 4.37Å; L714-L797 HydrophobicContact CD2-CD2 3.91Å; L714-L797 HydrophobicContact CG-CD2 4.26Å |
| 715 | V | 96 | Very high | 96.7 | Very high | 134 Ų | 134 | 35.7 Ų | 35.7 | 81% | 0.812 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -58.3 | -35.1 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | R711 | R711-V715 WeakPolarHBondContact O-CG2 3.39Å; R711-V715 PolarHBondContact O-N 3.37Å |
| 716 | A | 95.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -79.4 | -36.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K712 S713 L714 | K712-A716 WeakPolarHBondContact O-CB 3.28Å; K712-A716 PolarHBondContact O-N 2.89Å; S713-A716 PolarHBondContact O-N 3Å; L714-A716 PolarHBondContact O-N 2.86Å |
| 717 | W | 96.9 | Very high | 96.6 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -133.5 | -8.3 | -160.2 | -52.4 | -36 | 0 | 0 | 0 | 116.2 | D673 W675 K676 S713 L714 S719 I725 E726 | D673-W717 WeakPolarHBondContact O-CZ2 3.31Å; W675-W717 VanDerWaalsContact O-CH2 3.3Å; W675-W717 WeakPolarHBondContact O-CH2 3.45Å; K676-W717 HydrophobicContact CD-CB 4.23Å; K676-W717 HydrophobicContact CD-CD2 3.39Å; K676-W717 HydrophobicContact CD-CE3 3.59Å; K676-W717 HydrophobicContact CD-CG 3.68Å; K676-W717 HydrophobicContact CD-CH2 4.47Å; K676-W717 HydrophobicContact CD-CZ2 4.34Å; K676-W717 HydrophobicContact CD-CZ3 4.13Å; K676-W717 VanDerWaalsContact CE-CD1 3.41Å; S713-W717 WeakPolarHBondContact O-CB 3.27Å; S713-W717 PolarHBondContact O-N 3.12Å; L714-W717 PolarHBondContact O-N 2.82Å; W717-S719 PolarHBondContact O-N 2.73Å; W717-I725 HydrophobicContact CB-CB 3.87Å; W717-I725 HydrophobicContact CB-CG2 3.96Å; W717-I725 HydrophobicContact CE3-CD1 4.12Å; W717-I725 HydrophobicContact CE3-CG2 4.45Å; W717-I725 WeakPolarHBondContact O-CA 3.37Å; W717-E726 PolarHBondContact O-N 3.3Å |
| 718 | D | 97.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | trans | -85.9 | 93.7 | 167.6 | -177.3 | -6.5 | 0 | 0 | 0 | 108.4 | L714 D721 D722 G723 L724 | L714-D718 HydrophobicContact CD2-CB 4.21Å; L714-D718 WeakPolarHBondContact O-CB 3.35Å; L714-D718 PolarHBondContact O-N 2.91Å; D718-D721 WeakPolarHBondContact OD1-CA 3.16Å; D718-D721 PolarHBondContact OD1-N 3.23Å; D718-D722 PolarHBondContact OD1-N 3.28Å; D718-D722 VanDerWaalsContact OD1-N 3.16Å; D718-G723 WeakPolarHBondContact OD2-CA 3.3Å; D718-G723 PolarHBondContact OD2-N 2.68Å; D718-L724 WeakPolarHBondContact CA-O 3.44Å; D718-L724 WeakPolarHBondContact CB-O 3.4Å | ||
| 719 | S | 94.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 70% | 0.699 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -89.7 | -16.6 | -169.2 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | W717 E726 | W717-S719 PolarHBondContact O-N 2.73Å; S719-E726 WeakPolarHBondContact CB-OE2 3.49Å; S719-E726 PolarHBondContact N-OE2 3.07Å; S719-E726 PolarHBondContact OG-OE2 2.64Å |
| 720 | D | 94.8 | Very high | 96 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -118.5 | 8.8 | 179.1 | 73.8 | 1.3 | 0 | 0 | 0 | 114.2 | D722 K808 | D720-D722 VanDerWaalsContact C-N 3.31Å; D720-D722 PolarHBondContact O-N 3.35Å; D720-D722 VanDerWaalsContact OD1-CB 3.25Å; D720-D722 WeakPolarHBondContact OD1-CB 3.41Å; D720-D722 PolarHBondContact OD1-N 3.03Å; D720-K808 IonicContact OD1-NZ 3.4Å; D720-K808 IonicContact OD2-NZ 2.88Å; D720-K808 PolarHBondContact OD2-NZ 3.1Å |
| 721 | D | 95 | Very high | 95.7 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 50.8 | 52.7 | -178.3 | 180 | 36.1 | 0 | 0 | 0 | 110 | D718 K800 | D718-D721 WeakPolarHBondContact OD1-CA 3.16Å; D718-D721 PolarHBondContact OD1-N 3.23Å; D721-K800 WeakPolarHBondContact O-CE 3.45Å; D721-K800 PolarHBondContact O-NZ 3.15Å; D721-K800 IonicContact OD1-NZ 2.69Å; D721-K800 PolarHBondContact OD1-NZ 2.79Å; D721-K800 IonicContact OD2-NZ 3.37Å; D721-K800 PolarHBondContact OD2-NZ 3.45Å |
| 722 | D | 96.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -106.1 | -3.8 | 171.2 | 83.6 | -8 | 0 | 0 | 0 | 112.7 | D718 D720 L724 K800 A801 S804 K808 | D718-D722 PolarHBondContact OD1-N 3.28Å; D718-D722 VanDerWaalsContact OD1-N 3.16Å; D720-D722 VanDerWaalsContact C-N 3.31Å; D720-D722 PolarHBondContact O-N 3.35Å; D720-D722 VanDerWaalsContact OD1-CB 3.25Å; D720-D722 WeakPolarHBondContact OD1-CB 3.41Å; D720-D722 PolarHBondContact OD1-N 3.03Å; D722-L724 WeakPolarHBondContact OD1-CA 3.34Å; D722-L724 WeakPolarHBondContact OD1-CB 3.36Å; D722-L724 PolarHBondContact OD1-N 3.45Å; D722-K800 CarbonylContact O-C 3.6Å; D722-K800 WeakPolarHBondContact O-CG 3.25Å; D722-A801 WeakPolarHBondContact O-CA 3.39Å; D722-A801 PolarHBondContact O-N 2.79Å; D722-S804 WeakPolarHBondContact OD2-CB 3.41Å; D722-S804 PolarHBondContact OD2-OG 3.34Å; D722-K808 WeakPolarHBondContact OD2-CE 3.21Å; D722-K808 IonicContact OD2-NZ 2.72Å; D722-K808 PolarHBondContact OD2-NZ 2.73Å |
| 723 | G | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 87.6 | 2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D718 W751 L797 A801 | D718-G723 WeakPolarHBondContact OD2-CA 3.3Å; D718-G723 PolarHBondContact OD2-N 2.68Å; G723-W751 PolarHBondContact O-NE1 2.82Å; G723-L797 VanDerWaalsContact CA-CD1 3.42Å; G723-A801 WeakPolarHBondContact O-CB 3.21Å |
| 724 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -105.8 | 163.7 | 175.4 | -59.7 | 164.3 | 0 | 0 | 0 | 110.5 | D718 D722 L743 A801 Y805 | D718-L724 WeakPolarHBondContact CA-O 3.44Å; D718-L724 WeakPolarHBondContact CB-O 3.4Å; D722-L724 WeakPolarHBondContact OD1-CA 3.34Å; D722-L724 WeakPolarHBondContact OD1-CB 3.36Å; D722-L724 PolarHBondContact OD1-N 3.45Å; L724-L743 HydrophobicContact CB-CD1 3.96Å; L724-L743 HydrophobicContact CD1-CD1 3.76Å; L724-L743 HydrophobicContact CD1-CD2 3.56Å; L724-L743 HydrophobicContact CD1-CG 4.29Å; L724-L743 HydrophobicContact CD2-CD1 4.45Å; L724-L743 HydrophobicContact CG-CD1 4.28Å; L724-A801 HydrophobicContact CD2-CB 3.78Å; L724-A801 HydrophobicContact CG-CB 3.99Å; L724-Y805 HydrophobicContact CD2-CD2 4.41Å | ||
| 725 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -109 | 142.4 | 177.4 | 60.1 | 171 | 0 | 0 | 0 | 110.3 | K676 W717 W751 | K676-I725 HydrophobicContact CB-CD1 4.1Å; K676-I725 VanDerWaalsContact O-CD1 3.27Å; K676-I725 WeakPolarHBondContact O-CD1 3.44Å; W717-I725 HydrophobicContact CB-CB 3.87Å; W717-I725 HydrophobicContact CB-CG2 3.96Å; W717-I725 HydrophobicContact CE3-CD1 4.12Å; W717-I725 HydrophobicContact CE3-CG2 4.45Å; W717-I725 WeakPolarHBondContact O-CA 3.37Å; I725-W751 HydrophobicContact CD1-CB 4.13Å; I725-W751 HydrophobicContact CD1-CD2 4.01Å; I725-W751 HydrophobicContact CD1-CE3 3.69Å; I725-W751 HydrophobicContact CD1-CG 4.19Å; I725-W751 HydrophobicContact CG1-CB 3.94Å; I725-W751 HydrophobicContact CG1-CD2 4.08Å; I725-W751 HydrophobicContact CG1-CE3 4.27Å; I725-W751 HydrophobicContact CG1-CG 3.89Å; I725-W751 HydrophobicContact CG2-CD2 3.88Å; I725-W751 HydrophobicContact CG2-CE3 4.15Å; I725-W751 HydrophobicContact CG2-CG 4.29Å; I725-W751 HydrophobicContact CG2-CZ2 4.32Å | ||
| 726 | E | 97.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | trans | -105.8 | 135.9 | -177.7 | -70.1 | 72.9 | -121.6 | 0 | 0 | 113.3 | K676 W717 S719 | K676-E726 WeakPolarHBondContact CE-O 3.29Å; W717-E726 PolarHBondContact O-N 3.3Å; S719-E726 WeakPolarHBondContact CB-OE2 3.49Å; S719-E726 PolarHBondContact N-OE2 3.07Å; S719-E726 PolarHBondContact OG-OE2 2.64Å | ||
| 727 | N | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 142.5 | 166.7 | -68.5 | 90.3 | 0 | 0 | 0 | 111.3 | G729 D732 A740 K741 G742 T744 T747 | N727-G729 PolarHBondContact O-N 2.96Å; N727-D732 PolarHBondContact ND2-OD1 2.69Å; N727-A740 HydrophobicContact CB-CB 4.21Å; N727-K741 WeakPolarHBondContact O-CA 3.37Å; N727-G742 PolarHBondContact N-O 3.48Å; N727-G742 PolarHBondContact O-N 3.27Å; N727-T744 HydrophobicContact CB-CG2 4.19Å; N727-T744 WeakPolarHBondContact OD1-CG2 3.23Å; N727-T744 PolarHBondContact OD1-OG1 2.95Å; N727-T747 WeakPolarHBondContact OD1-CG2 3.33Å; N727-T747 PolarHBondContact OD1-OG1 2.91Å |
| 728 | S | 95.7 | Very high | 95 | Very high | 65 Ų | 65 | 29.4 Ų | 29.4 | 46% | 0.455 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 0.7 | -167.9 | -54.6 | 0 | 0 | 0 | 0 | 114.5 | K676 D732 | K676-S728 PolarHBondContact NZ-OG 3.43Å; K676-S728 VanDerWaalsContact NZ-OG 3.08Å; S728-D732 PolarHBondContact N-OD2 2.85Å |
| 729 | G | 92.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 87.5 | 20.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | N727 T739 A740 | N727-G729 PolarHBondContact O-N 2.96Å; G729-T739 VanDerWaalsContact O-CG2 3.23Å; G729-T739 WeakPolarHBondContact O-CG2 3.2Å; G729-A740 WeakPolarHBondContact CA-O 3.38Å; G729-A740 PolarHBondContact N-O 2.88Å; G729-A740 VanDerWaalsContact N-O 3.08Å |
| 730 | F | 91.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 25.1 Ų | 25.1 | 26% | 0.263 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -130.7 | 171.9 | 161.8 | 67.1 | -85.1 | 0 | 0 | 0 | 108.4 | F670 T674 D732 | F670-F730 HydrophobicContact CD1-CD2 4.17Å; T674-F730 WeakPolarHBondContact OG1-CZ 3.39Å; F730-D732 VanDerWaalsContact C-N 3.29Å; F730-D732 HydrophobicContact CD2-CB 3.99Å; F730-D732 HydrophobicContact CE1-CB 4.26Å; F730-D732 HydrophobicContact CE2-CB 3.56Å; F730-D732 HydrophobicContact CZ-CB 3.7Å; F730-D732 PolarHBondContact O-N 3.38Å; F730-D732 VanDerWaalsContact O-OD1 3.09Å |
| 731 | P | 90.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 25 Ų | 25 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | trans | -69.8 | 83 | 177.2 | -15.5 | 30.1 | 0 | 0 | 0 | 112.3 | F670 D736 | F670-P731 HydrophobicContact CE2-CB 4.19Å; F670-P731 HydrophobicContact CE2-CG 4.07Å; F670-P731 HydrophobicContact CZ-CG 4Å; P731-D736 WeakPolarHBondContact CB-O 3.41Å; P731-D736 WeakPolarHBondContact CG-O 3.27Å | ||
| 732 | D | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -107 | 39.7 | -177.5 | 60.4 | -10.8 | 0 | 0 | 0 | 112.1 | W675 K676 N727 S728 F730 | W675-D732 CarbonylContact C-O 3.47Å; W675-D732 VanDerWaalsContact CA-O 3.27Å; W675-D732 WeakPolarHBondContact CA-O 3.27Å; K676-D732 PolarHBondContact N-O 3.27Å; K676-D732 IonicContact NZ-OD2 3.66Å; K676-D732 PolarHBondContact NZ-OD2 2.85Å; N727-D732 PolarHBondContact ND2-OD1 2.69Å; S728-D732 PolarHBondContact N-OD2 2.85Å; F730-D732 VanDerWaalsContact C-N 3.29Å; F730-D732 HydrophobicContact CD2-CB 3.99Å; F730-D732 HydrophobicContact CE1-CB 4.26Å; F730-D732 HydrophobicContact CE2-CB 3.56Å; F730-D732 HydrophobicContact CZ-CB 3.7Å; F730-D732 PolarHBondContact O-N 3.38Å; F730-D732 VanDerWaalsContact O-OD1 3.09Å | ||
| 733 | Q | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -158.2 | 173.7 | 179.7 | 57.6 | 166.9 | 15.6 | 0 | 0 | 110 | Y735 D736 Y746 T747 | Q733-Y735 CarbonylContact O-C 3.58Å; Q733-Y735 PolarHBondContact O-N 2.98Å; Q733-D736 WeakPolarHBondContact O-CA 3.37Å; Q733-D736 PolarHBondContact O-N 2.81Å; Q733-Y746 HydrophobicContact CB-CE1 4.48Å; Q733-T747 HydrophobicContact CB-CG2 4.33Å |
| 734 | T | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -43.8 | -37.6 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | D596 V597 D677 K681 D736 Y746 W898 | D596-T734 WeakPolarHBondContact OD2-CG2 3.46Å; V597-T734 HydrophobicContact CG1-CG2 4.49Å; D677-T734 WeakPolarHBondContact OD2-CB 3.41Å; D677-T734 PolarHBondContact OD2-N 3.35Å; D677-T734 PolarHBondContact OD2-OG1 3.17Å; K681-T734 PolarHBondContact NZ-OG1 3.21Å; T734-D736 PolarHBondContact O-N 2.89Å; T734-Y746 PolarHBondContact OG1-OH 3.35Å; T734-W898 HydrophobicContact CG2-CH2 4.12Å; T734-W898 HydrophobicContact CG2-CZ3 3.84Å |
| 735 | Y | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -82 | 69.8 | 173 | -58.5 | -103 | 0 | 0 | 0 | 109.1 | Q733 V737 W738 Y746 M829 D831 N879 Q893 W898 V901 | Q733-Y735 CarbonylContact O-C 3.58Å; Q733-Y735 PolarHBondContact O-N 2.98Å; Y735-V737 PolarHBondContact O-N 3.05Å; Y735-V737 VanDerWaalsContact O-N 3.07Å; Y735-W738 AromaticContact CD1-CE3 3.62Å; Y735-W738 HydrophobicContact CD1-CE3 3.62Å; Y735-W738 HydrophobicContact CD1-CZ3 4.14Å; Y735-W738 HydrophobicContact CE1-CE3 4.19Å; Y735-W738 HydrophobicContact CE1-CZ3 4.26Å; Y735-W738 HydrophobicContact CG-CE3 4.09Å; Y735-W738 PolarHBondContact O-N 2.74Å; Y735-Y746 HydrophobicContact CD2-CE1 4.47Å; Y735-Y746 HydrophobicContact CE2-CD2 4.47Å; Y735-Y746 HydrophobicContact CE2-CE1 4.46Å; Y735-Y746 HydrophobicContact CE2-CE2 4.13Å; Y735-M829 HydrophobicContact CD1-CE 4.42Å; Y735-M829 HydrophobicContact CD2-CE 3.49Å; Y735-M829 VanDerWaalsContact CD2-CE 3.49Å; Y735-M829 HydrophobicContact CE1-CE 4.06Å; Y735-M829 HydrophobicContact CE2-CE 3.08Å; Y735-M829 HydrophobicContact CG-CE 4.17Å; Y735-M829 VanDerWaalsContact CZ-CE 3.4Å; Y735-D831 WeakPolarHBondContact OH-CB 3.48Å; Y735-D831 PolarHBondContact OH-OD2 3.38Å; Y735-N879 HydrophobicContact CE1-CB 4.41Å; Y735-Q893 HydrophobicContact CD1-CB 4.29Å; Y735-Q893 PolarHBondContact O-OE1 3.17Å; Y735-W898 HydrophobicContact CD1-CE3 4.22Å; Y735-W898 AromaticContact CD1-CH2 3.32Å; Y735-W898 HydrophobicContact CD1-CH2 3.32Å; Y735-W898 AromaticContact CD1-CZ2 3.83Å; Y735-W898 HydrophobicContact CD1-CZ2 3.83Å; Y735-W898 AromaticContact CD1-CZ3 3.54Å; Y735-W898 HydrophobicContact CD1-CZ3 3.54Å; Y735-W898 HydrophobicContact CD2-CH2 4.2Å; Y735-W898 HydrophobicContact CD2-CZ3 4.02Å; Y735-W898 HydrophobicContact CE1-CD2 4Å; Y735-W898 AromaticContact CE1-CE3 3.47Å; Y735-W898 HydrophobicContact CE1-CE3 3.47Å; Y735-W898 VanDerWaalsContact CE1-CE3 3.47Å; Y735-W898 AromaticContact CE1-CH2 3.48Å; Y735-W898 HydrophobicContact CE1-CH2 3.48Å; Y735-W898 VanDerWaalsContact CE1-CH2 3.48Å; Y735-W898 AromaticContact CE1-CZ2 3.99Å; Y735-W898 HydrophobicContact CE1-CZ2 3.99Å; Y735-W898 AromaticContact CE1-CZ3 3.18Å; Y735-W898 HydrophobicContact CE1-CZ3 3.18Å; Y735-W898 HydrophobicContact CE2-CE3 4.36Å; Y735-W898 HydrophobicContact CE2-CH2 4.28Å; Y735-W898 AromaticContact CE2-CZ3 3.65Å; Y735-W898 HydrophobicContact CE2-CZ3 3.65Å; Y735-W898 AromaticContact CG-CH2 3.72Å; Y735-W898 HydrophobicContact CG-CH2 3.72Å; Y735-W898 AromaticContact CG-CZ3 3.95Å; Y735-W898 HydrophobicContact CG-CZ3 3.95Å; Y735-W898 AromaticContact CZ-CE3 3.54Å; Y735-W898 AromaticContact CZ-CH2 3.95Å; Y735-W898 AromaticContact CZ-CZ3 3.22Å; Y735-V901 WeakPolarHBondContact OH-CG2 3.04Å |
| 736 | D | 92 | Very high | 94.9 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 17% | 0.171 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 4.9 | -168.7 | 76.6 | -27.3 | 0 | 0 | 0 | 115.5 | Y667 F670 W675 P731 Q733 T734 Q893 | Y667-D736 WeakPolarHBondContact CE2-OD2 3.5Å; Y667-D736 VanDerWaalsContact OH-CB 3.32Å; Y667-D736 WeakPolarHBondContact OH-CB 3.47Å; Y667-D736 PolarHBondContact OH-OD2 3.39Å; F670-D736 WeakPolarHBondContact CE2-O 3.44Å; W675-D736 HydrophobicContact CH2-CB 3.9Å; W675-D736 HydrophobicContact CZ2-CB 4.05Å; P731-D736 WeakPolarHBondContact CB-O 3.41Å; P731-D736 WeakPolarHBondContact CG-O 3.27Å; Q733-D736 WeakPolarHBondContact O-CA 3.37Å; Q733-D736 PolarHBondContact O-N 2.81Å; T734-D736 PolarHBondContact O-N 2.89Å; D736-Q893 PolarHBondContact OD1-NE2 2.97Å |
| 737 | V | 91 | Very high | 94.9 | Very high | 48 Ų | 48 | 19.1 Ų | 19.1 | 29% | 0.291 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 12.8 | 163.4 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | Y735 S891 Q893 | Y735-V737 PolarHBondContact O-N 3.05Å; Y735-V737 VanDerWaalsContact O-N 3.07Å; V737-S891 PolarHBondContact O-OG 3.47Å; V737-Q893 HydrophobicContact CG2-CB 4.18Å; V737-Q893 HydrophobicContact CG2-CG 3.45Å; V737-Q893 VanDerWaalsContact CG2-CG 3.45Å |
| 738 | W | 92.5 | Very high | 95 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -116.9 | 89.7 | 175.1 | -161.7 | 11.1 | 0 | 0 | 0 | 110.7 | Y735 A740 F817 V827 M829 N879 D888 Q893 A894 | Y735-W738 AromaticContact CD1-CE3 3.62Å; Y735-W738 HydrophobicContact CD1-CE3 3.62Å; Y735-W738 HydrophobicContact CD1-CZ3 4.14Å; Y735-W738 HydrophobicContact CE1-CE3 4.19Å; Y735-W738 HydrophobicContact CE1-CZ3 4.26Å; Y735-W738 HydrophobicContact CG-CE3 4.09Å; Y735-W738 PolarHBondContact O-N 2.74Å; W738-A740 PolarHBondContact O-N 2.71Å; W738-F817 HydrophobicContact CD2-CE2 4.12Å; W738-F817 HydrophobicContact CD2-CZ 4.18Å; W738-F817 AromaticContact CE2-CE2 3.77Å; W738-F817 AromaticContact CE2-CZ 3.86Å; W738-F817 HydrophobicContact CE3-CE2 4.37Å; W738-F817 HydrophobicContact CG-CZ 4.4Å; W738-F817 HydrophobicContact CH2-CD2 4.42Å; W738-F817 HydrophobicContact CH2-CE2 4.03Å; W738-F817 HydrophobicContact CZ2-CD2 4.18Å; W738-F817 AromaticContact CZ2-CE2 3.74Å; W738-F817 HydrophobicContact CZ2-CE2 3.74Å; W738-F817 HydrophobicContact CZ2-CZ 4.24Å; W738-F817 HydrophobicContact CZ3-CE2 4.34Å; W738-F817 AromaticContact NE1-CZ 3.92Å; W738-V827 HydrophobicContact CH2-CG1 4.07Å; W738-V827 HydrophobicContact CZ2-CG1 3.71Å; W738-M829 HydrophobicContact CH2-CB 4.2Å; W738-M829 HydrophobicContact CH2-CG 4.14Å; W738-M829 HydrophobicContact CZ3-CE 4.43Å; W738-M829 HydrophobicContact CZ3-CG 4.01Å; W738-M829 HydrophobicContact CZ3-SD 4.24Å; W738-N879 HydrophobicContact CZ3-CB 4.41Å; W738-D888 WeakPolarHBondContact CZ2-OD2 3.2Å; W738-D888 PolarHBondContact NE1-OD2 3.49Å; W738-Q893 HydrophobicContact CB-CB 4.45Å; W738-A894 HydrophobicContact CD2-CB 4.07Å; W738-A894 HydrophobicContact CE3-CB 4.36Å; W738-A894 HydrophobicContact CH2-CB 4.08Å; W738-A894 HydrophobicContact CZ2-CB 3.76Å; W738-A894 HydrophobicContact CZ3-CB 4.36Å |
| 739 | T | 92.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 16.1 Ų | 16.1 | 23% | 0.227 | 10% | 0.095 | C | C | . | . | trans | -65.6 | 130.3 | -175.4 | -55.9 | 0 | 0 | 0 | 0 | 113 | G729 | G729-T739 VanDerWaalsContact O-CG2 3.23Å; G729-T739 WeakPolarHBondContact O-CG2 3.2Å | ||
| 740 | A | 93.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | trans | -121.9 | 157.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N727 G729 W738 T744 F817 | N727-A740 HydrophobicContact CB-CB 4.21Å; G729-A740 WeakPolarHBondContact CA-O 3.38Å; G729-A740 PolarHBondContact N-O 2.88Å; G729-A740 VanDerWaalsContact N-O 3.08Å; W738-A740 PolarHBondContact O-N 2.71Å; A740-T744 HydrophobicContact CB-CG2 3.55Å; A740-F817 HydrophobicContact CB-CE1 3.84Å; A740-F817 HydrophobicContact CB-CZ 3.89Å | ||
| 741 | K | 95.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 11.7 Ų | 11.7 | 37% | 0.37 | 7% | 0.067 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.9 | 179.6 | -172.3 | 173.2 | 177.4 | 178.1 | 0 | 111.7 | N727 Y820 | N727-K741 WeakPolarHBondContact O-CA 3.37Å; K741-Y820 HydrophobicContact CB-CD1 4.17Å; K741-Y820 HydrophobicContact CB-CG 4.15Å; K741-Y820 HydrophobicContact CD-CD1 3.94Å; K741-Y820 HydrophobicContact CD-CD2 4.04Å; K741-Y820 HydrophobicContact CD-CE1 3.98Å; K741-Y820 HydrophobicContact CD-CE2 4.09Å; K741-Y820 HydrophobicContact CD-CG 3.98Å; K741-Y820 HydrophobicContact CG-CD1 4.35Å; K741-Y820 HydrophobicContact CG-CD2 4.35Å; K741-Y820 HydrophobicContact CG-CG 4.1Å; K741-Y820 WeakPolarHBondContact O-CB 3.46Å |
| 742 | G | 96.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 13% | 0.134 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -163 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N727 T744 | N727-G742 PolarHBondContact N-O 3.48Å; N727-G742 PolarHBondContact O-N 3.27Å; G742-T744 PolarHBondContact O-N 3.24Å |
| 743 | L | 97 | Very high | 96.3 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -62.7 | 130.4 | 172.6 | 170.7 | 63.6 | 0 | 0 | 0 | 110.3 | L724 Y805 K808 L809 Q818 T819 | L724-L743 HydrophobicContact CB-CD1 3.96Å; L724-L743 HydrophobicContact CD1-CD1 3.76Å; L724-L743 HydrophobicContact CD1-CD2 3.56Å; L724-L743 HydrophobicContact CD1-CG 4.29Å; L724-L743 HydrophobicContact CD2-CD1 4.45Å; L724-L743 HydrophobicContact CG-CD1 4.28Å; L743-Y805 HydrophobicContact CD1-CD2 4.25Å; L743-K808 HydrophobicContact CD2-CB 3.92Å; L743-K808 HydrophobicContact CD2-CD 3.91Å; L743-L809 HydrophobicContact CD1-CD1 4.23Å; L743-L809 HydrophobicContact CD2-CD1 4Å; L743-L809 HydrophobicContact CD2-CG 3.94Å; L743-L809 HydrophobicContact CG-CD1 3.81Å; L743-L809 HydrophobicContact CG-CD2 4.33Å; L743-L809 HydrophobicContact CG-CG 4.08Å; L743-Q818 CarbonylContact O-C 3.6Å; L743-Q818 VanDerWaalsContact O-CA 3.23Å; L743-Q818 WeakPolarHBondContact O-CA 3.48Å; L743-T819 HydrophobicContact CB-CG2 3.83Å; L743-T819 HydrophobicContact CD2-CG2 4.03Å; L743-T819 HydrophobicContact CG-CG2 4.16Å; L743-T819 PolarHBondContact N-OG1 3.4Å; L743-T819 PolarHBondContact O-N 3.36Å |
| 744 | T | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 155.6 | 177.3 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | N727 A740 G742 Y746 T747 G748 F817 Q818 | N727-T744 HydrophobicContact CB-CG2 4.19Å; N727-T744 WeakPolarHBondContact OD1-CG2 3.23Å; N727-T744 PolarHBondContact OD1-OG1 2.95Å; A740-T744 HydrophobicContact CB-CG2 3.55Å; G742-T744 PolarHBondContact O-N 3.24Å; T744-Y746 VanDerWaalsContact C-N 3.3Å; T744-Y746 PolarHBondContact O-N 2.84Å; T744-T747 PolarHBondContact OG1-N 3.26Å; T744-T747 PolarHBondContact OG1-OG1 3.21Å; T744-G748 WeakPolarHBondContact O-CA 3.29Å; T744-G748 PolarHBondContact O-N 2.69Å; T744-F817 VanDerWaalsContact CA-O 3.27Å; T744-F817 WeakPolarHBondContact CA-O 3.34Å; T744-F817 WeakPolarHBondContact CB-O 3.3Å; T744-Q818 HydrophobicContact CG2-CB 4.04Å |
| 745 | A | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G749 Y805 L809 A816 F817 Q832 | A745-G749 WeakPolarHBondContact O-CA 3.48Å; A745-G749 PolarHBondContact O-N 3.17Å; A745-Y805 VanDerWaalsContact CA-OH 3.26Å; A745-Y805 WeakPolarHBondContact CA-OH 3.5Å; A745-Y805 PolarHBondContact O-OH 3.09Å; A745-L809 HydrophobicContact CB-CD1 4.42Å; A745-A816 WeakPolarHBondContact CB-O 3.48Å; A745-F817 PolarHBondContact N-O 3.15Å; A745-Q832 HydrophobicContact CB-CB 3.85Å |
| 746 | Y | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.7 | -60.2 | -178.6 | 179.2 | -105.1 | 0 | 0 | 0 | 112.5 | Y600 D677 K681 Q733 T734 Y735 T744 M750 M829 D831 | Y600-Y746 PolarHBondContact OH-OH 2.73Å; D677-Y746 HydrophobicContact CB-CE1 4.07Å; D677-Y746 WeakPolarHBondContact OD2-CE1 3.37Å; K681-Y746 WeakPolarHBondContact CE-OH 3.09Å; K681-Y746 PolarHBondContact NZ-OH 3.31Å; Q733-Y746 HydrophobicContact CB-CE1 4.48Å; T734-Y746 PolarHBondContact OG1-OH 3.35Å; Y735-Y746 HydrophobicContact CD2-CE1 4.47Å; Y735-Y746 HydrophobicContact CE2-CD2 4.47Å; Y735-Y746 HydrophobicContact CE2-CE1 4.46Å; Y735-Y746 HydrophobicContact CE2-CE2 4.13Å; T744-Y746 VanDerWaalsContact C-N 3.3Å; T744-Y746 PolarHBondContact O-N 2.84Å; Y746-M750 HydrophobicContact CE2-CE 4.06Å; Y746-M750 WeakPolarHBondContact O-CB 3.33Å; Y746-M750 PolarHBondContact O-N 2.96Å; Y746-M829 HydrophobicContact CD1-CE 4.37Å; Y746-M829 HydrophobicContact CD2-CE 3.69Å; Y746-M829 HydrophobicContact CE2-CE 4.36Å; Y746-M829 HydrophobicContact CG-CE 3.67Å; Y746-M829 HydrophobicContact CG-SD 4.4Å; Y746-D831 HydrophobicContact CD2-CB 4.39Å; Y746-D831 WeakPolarHBondContact CD2-O 3.44Å; Y746-D831 HydrophobicContact CE2-CB 4.44Å; Y746-D831 VanDerWaalsContact CE2-OD2 3.27Å; Y746-D831 WeakPolarHBondContact CE2-OD2 3.37Å |
| 747 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.6 | -41.8 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | K676 N727 Q733 T744 G749 M750 W751 | K676-T747 HydrophobicContact CB-CG2 3.95Å; N727-T747 WeakPolarHBondContact OD1-CG2 3.33Å; N727-T747 PolarHBondContact OD1-OG1 2.91Å; Q733-T747 HydrophobicContact CB-CG2 4.33Å; T744-T747 PolarHBondContact OG1-N 3.26Å; T744-T747 PolarHBondContact OG1-OG1 3.21Å; T747-G749 PolarHBondContact O-N 2.9Å; T747-M750 PolarHBondContact O-N 2.89Å; T747-W751 WeakPolarHBondContact O-CB 3.43Å; T747-W751 PolarHBondContact O-N 3.26Å |
| 748 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T744 W751 L752 | T744-G748 WeakPolarHBondContact O-CA 3.29Å; T744-G748 PolarHBondContact O-N 2.69Å; G748-W751 PolarHBondContact O-N 2.86Å; G748-L752 WeakPolarHBondContact O-CB 3.48Å; G748-L752 PolarHBondContact O-N 2.91Å |
| 749 | G | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 5% | 0.052 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A745 T747 S753 | A745-G749 WeakPolarHBondContact O-CA 3.48Å; A745-G749 PolarHBondContact O-N 3.17Å; T747-G749 PolarHBondContact O-N 2.9Å; G749-S753 PolarHBondContact O-N 3Å; G749-S753 PolarHBondContact O-OG 3.08Å |
| 750 | M | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 172.8 | -162.2 | 77.8 | 71 | 0 | 0 | 111.9 | K681 L684 Y746 T747 S753 C754 S834 | K681-M750 HydrophobicContact CG-CE 4.45Å; K681-M750 HydrophobicContact CG-SD 4.5Å; L684-M750 HydrophobicContact CD1-CG 3.81Å; L684-M750 HydrophobicContact CD1-SD 3.33Å; L684-M750 WeakPolarHBondContact CD1-SD 3.34Å; Y746-M750 HydrophobicContact CE2-CE 4.06Å; Y746-M750 WeakPolarHBondContact O-CB 3.33Å; Y746-M750 PolarHBondContact O-N 2.96Å; T747-M750 PolarHBondContact O-N 2.89Å; M750-S753 PolarHBondContact O-N 2.77Å; M750-C754 WeakPolarHBondContact O-CB 3.49Å; M750-C754 PolarHBondContact O-N 3.14Å; M750-S834 VanDerWaalsContact CE-OG 3.28Å; M750-S834 WeakPolarHBondContact CE-OG 3.38Å |
| 751 | W | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.7 | -177.3 | -103.8 | 0 | 0 | 0 | 111.8 | L710 L714 G723 I725 T747 G748 S753 C754 L755 | L710-W751 HydrophobicContact CG-CH2 4.03Å; L710-W751 HydrophobicContact CG-CZ2 4.32Å; L714-W751 HydrophobicContact CD1-CZ2 4.33Å; L714-W751 HydrophobicContact CD2-CZ2 3.57Å; L714-W751 HydrophobicContact CG-CH2 4.23Å; L714-W751 HydrophobicContact CG-CZ2 3.63Å; G723-W751 PolarHBondContact O-NE1 2.82Å; I725-W751 HydrophobicContact CD1-CB 4.13Å; I725-W751 HydrophobicContact CD1-CD2 4.01Å; I725-W751 HydrophobicContact CD1-CE3 3.69Å; I725-W751 HydrophobicContact CD1-CG 4.19Å; I725-W751 HydrophobicContact CG1-CB 3.94Å; I725-W751 HydrophobicContact CG1-CD2 4.08Å; I725-W751 HydrophobicContact CG1-CE3 4.27Å; I725-W751 HydrophobicContact CG1-CG 3.89Å; I725-W751 HydrophobicContact CG2-CD2 3.88Å; I725-W751 HydrophobicContact CG2-CE3 4.15Å; I725-W751 HydrophobicContact CG2-CG 4.29Å; I725-W751 HydrophobicContact CG2-CZ2 4.32Å; T747-W751 WeakPolarHBondContact O-CB 3.43Å; T747-W751 PolarHBondContact O-N 3.26Å; G748-W751 PolarHBondContact O-N 2.86Å; W751-S753 VanDerWaalsContact C-N 3.32Å; W751-S753 PolarHBondContact O-N 2.89Å; W751-C754 CarbonylContact O-C 3.52Å; W751-C754 WeakPolarHBondContact O-CA 3.08Å; W751-C754 VanDerWaalsContact O-CB 3.24Å; W751-C754 WeakPolarHBondContact O-CB 3.17Å; W751-C754 PolarHBondContact O-N 3.17Å; W751-L755 HydrophobicContact CZ2-CD2 3.77Å; W751-L755 HydrophobicContact CZ2-CG 4.45Å; W751-L755 WeakPolarHBondContact O-CG 3.1Å; W751-L755 PolarHBondContact O-N 2.85Å |
| 752 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 176.1 | -178 | 63.2 | 0 | 0 | 0 | 112.2 | G748 C754 L755 Y756 F798 A801 R802 I849 L850 | G748-L752 WeakPolarHBondContact O-CB 3.48Å; G748-L752 PolarHBondContact O-N 2.91Å; L752-C754 VanDerWaalsContact C-N 3.31Å; L752-C754 PolarHBondContact O-N 3.33Å; L752-L755 PolarHBondContact O-N 3.41Å; L752-Y756 PolarHBondContact O-N 2.73Å; L752-F798 HydrophobicContact CD1-CD2 3.59Å; L752-F798 HydrophobicContact CD1-CE2 3.48Å; L752-F798 VanDerWaalsContact CD1-CE2 3.48Å; L752-F798 HydrophobicContact CD1-CZ 4.48Å; L752-F798 HydrophobicContact CG-CD2 4.42Å; L752-F798 HydrophobicContact CG-CE2 3.94Å; L752-A801 HydrophobicContact CD1-CB 4.32Å; L752-R802 HydrophobicContact CD1-CB 3.73Å; L752-R802 HydrophobicContact CD1-CG 4.35Å; L752-R802 HydrophobicContact CD2-CB 4.41Å; L752-R802 HydrophobicContact CD2-CG 4.21Å; L752-I849 HydrophobicContact CD2-CG2 3.76Å; L752-I849 HydrophobicContact CG-CG2 3.88Å; L752-L850 HydrophobicContact CD2-CD2 3.75Å |
| 753 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 173.7 | -76 | 0 | 0 | 0 | 0 | 112.7 | G749 M750 W751 Y756 A757 G835 Y836 S839 | G749-S753 PolarHBondContact O-N 3Å; G749-S753 PolarHBondContact O-OG 3.08Å; M750-S753 PolarHBondContact O-N 2.77Å; W751-S753 VanDerWaalsContact C-N 3.32Å; W751-S753 PolarHBondContact O-N 2.89Å; S753-Y756 PolarHBondContact O-N 2.8Å; S753-A757 WeakPolarHBondContact O-CB 3.34Å; S753-A757 PolarHBondContact O-N 2.95Å; S753-G835 PolarHBondContact OG-O 3.48Å; S753-Y836 PolarHBondContact OG-N 3.1Å; S753-S839 WeakPolarHBondContact CB-OG 3.44Å; S753-S839 PolarHBondContact OG-OG 3.2Å |
| 754 | C | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 175.9 | 169 | 0 | 0 | 0 | 0 | 111.7 | I683 L684 M750 W751 L752 Y756 A757 T758 | I683-C754 VanDerWaalsContact CB-SG 3.58Å; I683-C754 WeakPolarHBondContact CD1-SG 3.45Å; I683-C754 VanDerWaalsContact CG2-SG 3.51Å; L684-C754 HydrophobicContact CG-CB 4.48Å; M750-C754 WeakPolarHBondContact O-CB 3.49Å; M750-C754 PolarHBondContact O-N 3.14Å; W751-C754 CarbonylContact O-C 3.52Å; W751-C754 WeakPolarHBondContact O-CA 3.08Å; W751-C754 VanDerWaalsContact O-CB 3.24Å; W751-C754 WeakPolarHBondContact O-CB 3.17Å; W751-C754 PolarHBondContact O-N 3.17Å; L752-C754 VanDerWaalsContact C-N 3.31Å; L752-C754 PolarHBondContact O-N 3.33Å; C754-Y756 VanDerWaalsContact C-N 3.32Å; C754-Y756 PolarHBondContact O-N 2.69Å; C754-A757 WeakPolarHBondContact O-CB 3.27Å; C754-A757 PolarHBondContact O-N 3.37Å; C754-T758 PolarHBondContact O-N 3.04Å; C754-T758 PolarHBondContact O-OG1 3.46Å |
| 755 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 175.3 | -67.3 | 179.7 | 0 | 0 | 0 | 111.6 | L710 W751 L752 T758 F759 V794 L797 F798 A801 | L710-L755 HydrophobicContact CD1-CD2 3.89Å; L710-L755 HydrophobicContact CG-CD2 4.44Å; W751-L755 HydrophobicContact CZ2-CD2 3.77Å; W751-L755 HydrophobicContact CZ2-CG 4.45Å; W751-L755 WeakPolarHBondContact O-CG 3.1Å; W751-L755 PolarHBondContact O-N 2.85Å; L752-L755 PolarHBondContact O-N 3.41Å; L755-T758 PolarHBondContact O-N 2.87Å; L755-F759 PolarHBondContact O-N 3.24Å; L755-V794 WeakPolarHBondContact O-CG1 3.25Å; L755-L797 HydrophobicContact CD1-CD2 4.42Å; L755-L797 HydrophobicContact CD1-CG 4.11Å; L755-L797 HydrophobicContact CD2-CD2 3.6Å; L755-L797 HydrophobicContact CD2-CG 4.17Å; L755-F798 HydrophobicContact CB-CB 4.07Å; L755-F798 HydrophobicContact CB-CD2 4.05Å; L755-A801 HydrophobicContact CD1-CB 3.67Å |
| 756 | Y | 98.3 | Very high | 98.2 | Very high | 18 Ų | 18 | 8.8 Ų | 8.8 | 7% | 0.071 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.7 | 169.9 | -95.6 | 0 | 0 | 0 | 112.5 | W687 L752 S753 C754 T758 F759 D760 F798 V844 L848 I849 | W687-Y756 AromaticContact CZ2-CE1 3.97Å; W687-Y756 HydrophobicContact CZ2-CE1 3.97Å; L752-Y756 PolarHBondContact O-N 2.73Å; S753-Y756 PolarHBondContact O-N 2.8Å; C754-Y756 VanDerWaalsContact C-N 3.32Å; C754-Y756 PolarHBondContact O-N 2.69Å; Y756-T758 VanDerWaalsContact C-N 3.29Å; Y756-T758 PolarHBondContact O-N 3.45Å; Y756-F759 HydrophobicContact CD2-CD1 4.32Å; Y756-F759 HydrophobicContact CE2-CD1 4.39Å; Y756-F759 CarbonylContact O-C 3.57Å; Y756-F759 WeakPolarHBondContact O-CB 3.17Å; Y756-F759 PolarHBondContact O-N 3.29Å; Y756-F759 VanDerWaalsContact O-N 3.13Å; Y756-D760 HydrophobicContact CE1-CB 4.12Å; Y756-D760 HydrophobicContact CE2-CB 4.45Å; Y756-D760 WeakPolarHBondContact O-CB 3.39Å; Y756-D760 PolarHBondContact O-N 3.05Å; Y756-F798 HydrophobicContact CD2-CZ 4.47Å; Y756-V844 HydrophobicContact CD1-CG2 3.96Å; Y756-V844 HydrophobicContact CE1-CB 4.37Å; Y756-V844 HydrophobicContact CE1-CG1 4.22Å; Y756-V844 HydrophobicContact CE1-CG2 3.21Å; Y756-L848 HydrophobicContact CD2-CD2 3.97Å; Y756-L848 HydrophobicContact CD2-CG 4.32Å; Y756-L848 HydrophobicContact CE1-CD2 4.48Å; Y756-L848 HydrophobicContact CE2-CD2 3.2Å; Y756-L848 HydrophobicContact CE2-CG 4.01Å; Y756-L848 VanDerWaalsContact CZ-CD2 3.49Å; Y756-I849 HydrophobicContact CD1-CD1 3.68Å; Y756-I849 HydrophobicContact CD2-CD1 3.97Å; Y756-I849 HydrophobicContact CG-CD1 3.34Å |
| 757 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.2 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L684 W687 S753 C754 D760 M761 | L684-A757 HydrophobicContact CD2-CB 3.99Å; W687-A757 HydrophobicContact CB-CB 3.7Å; W687-A757 HydrophobicContact CD2-CB 3.68Å; W687-A757 HydrophobicContact CE3-CB 4.03Å; W687-A757 HydrophobicContact CG-CB 3.53Å; S753-A757 WeakPolarHBondContact O-CB 3.34Å; S753-A757 PolarHBondContact O-N 2.95Å; C754-A757 WeakPolarHBondContact O-CB 3.27Å; C754-A757 PolarHBondContact O-N 3.37Å; A757-D760 PolarHBondContact O-N 3.48Å; A757-M761 WeakPolarHBondContact O-CG 3.23Å; A757-M761 PolarHBondContact O-N 3.04Å |
| 758 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.3 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | V706 L707 L710 C754 L755 Y756 D760 M761 L762 V794 | V706-T758 HydrophobicContact CG1-CG2 4.28Å; L707-T758 HydrophobicContact CD2-CG2 3.58Å; L710-T758 HydrophobicContact CD1-CG2 4.06Å; L710-T758 WeakPolarHBondContact CD1-OG1 3.49Å; C754-T758 PolarHBondContact O-N 3.04Å; C754-T758 PolarHBondContact O-OG1 3.46Å; L755-T758 PolarHBondContact O-N 2.87Å; Y756-T758 VanDerWaalsContact C-N 3.29Å; Y756-T758 PolarHBondContact O-N 3.45Å; T758-D760 VanDerWaalsContact C-N 3.31Å; T758-D760 PolarHBondContact O-N 3Å; T758-M761 PolarHBondContact O-N 2.97Å; T758-L762 HydrophobicContact CG2-CD1 3.98Å; T758-L762 WeakPolarHBondContact O-CG 3.31Å; T758-L762 PolarHBondContact O-N 2.86Å; T758-V794 HydrophobicContact CG2-CG1 4.19Å; T758-V794 HydrophobicContact CG2-CG2 4.29Å |
| 759 | F | 98.5 | Very high | 97.8 | Very high | 39 Ų | 39 | 24.3 Ų | 24.3 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.9 | 167.1 | -101.2 | 0 | 0 | 0 | 112.5 | L755 Y756 S763 K791 V794 Q795 | L755-F759 PolarHBondContact O-N 3.24Å; Y756-F759 HydrophobicContact CD2-CD1 4.32Å; Y756-F759 HydrophobicContact CE2-CD1 4.39Å; Y756-F759 CarbonylContact O-C 3.57Å; Y756-F759 WeakPolarHBondContact O-CB 3.17Å; Y756-F759 PolarHBondContact O-N 3.29Å; Y756-F759 VanDerWaalsContact O-N 3.13Å; F759-S763 VanDerWaalsContact CE2-OG 3.23Å; F759-S763 WeakPolarHBondContact CE2-OG 3.37Å; F759-S763 VanDerWaalsContact CZ-OG 3.31Å; F759-S763 WeakPolarHBondContact CZ-OG 3.36Å; F759-S763 WeakPolarHBondContact O-CB 3.48Å; F759-S763 PolarHBondContact O-N 3.43Å; F759-S763 PolarHBondContact O-OG 3.24Å; F759-K791 HydrophobicContact CD2-CG 4.16Å; F759-K791 HydrophobicContact CE2-CG 4.23Å; F759-V794 HydrophobicContact CB-CG1 3.99Å; F759-Q795 HydrophobicContact CD2-CB 3.66Å; F759-Q795 HydrophobicContact CD2-CG 4.07Å; F759-Q795 HydrophobicContact CE2-CB 3.63Å; F759-Q795 HydrophobicContact CE2-CG 3.65Å; F759-Q795 HydrophobicContact CZ-CG 4.18Å |
| 760 | D | 97.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -45 | -179.8 | -176.1 | 61.4 | 0 | 0 | 0 | 111.7 | W687 R691 Y756 A757 T758 S763 W764 | W687-D760 PolarHBondContact NE1-OD2 3.3Å; R691-D760 IonicContact CZ-OD2 2.83Å; R691-D760 IonicContact NH1-OD1 3.9Å; R691-D760 IonicContact NH1-OD2 3.6Å; R691-D760 PolarHBondContact NH1-OD2 3.44Å; Y756-D760 HydrophobicContact CE1-CB 4.12Å; Y756-D760 HydrophobicContact CE2-CB 4.45Å; Y756-D760 WeakPolarHBondContact O-CB 3.39Å; Y756-D760 PolarHBondContact O-N 3.05Å; A757-D760 PolarHBondContact O-N 3.48Å; T758-D760 VanDerWaalsContact C-N 3.31Å; T758-D760 PolarHBondContact O-N 3Å; D760-S763 PolarHBondContact O-N 3.31Å; D760-W764 VanDerWaalsContact O-CB 3.3Å; D760-W764 WeakPolarHBondContact O-CB 3.5Å; D760-W764 PolarHBondContact O-N 3Å |
| 761 | M | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 173.7 | -74.4 | -172.7 | -68 | 0 | 0 | 111.8 | I683 V686 W687 W690 L699 L703 V706 A757 T758 W764 C765 | I683-M761 HydrophobicContact CG2-CE 4.44Å; V686-M761 HydrophobicContact CG1-SD 4.08Å; W687-M761 HydrophobicContact CB-CE 4.16Å; W687-M761 HydrophobicContact CB-CG 4.46Å; W687-M761 HydrophobicContact CB-SD 4.05Å; W690-M761 HydrophobicContact CE3-CG 3.65Å; W690-M761 HydrophobicContact CE3-SD 4.46Å; W690-M761 HydrophobicContact CZ3-CB 4.4Å; W690-M761 HydrophobicContact CZ3-CG 3.68Å; L699-M761 HydrophobicContact CD1-CB 3.95Å; L699-M761 HydrophobicContact CD1-CG 3.69Å; L699-M761 HydrophobicContact CD1-SD 3.39Å; L699-M761 WeakPolarHBondContact CD1-SD 3.44Å; L703-M761 HydrophobicContact CD1-CB 4.02Å; L703-M761 HydrophobicContact CD1-CE 4.5Å; V706-M761 HydrophobicContact CG1-CE 3.92Å; V706-M761 HydrophobicContact CG2-CE 4.37Å; A757-M761 WeakPolarHBondContact O-CG 3.23Å; A757-M761 PolarHBondContact O-N 3.04Å; T758-M761 PolarHBondContact O-N 2.97Å; M761-W764 PolarHBondContact O-N 2.98Å; M761-C765 WeakPolarHBondContact O-CB 3.44Å; M761-C765 PolarHBondContact O-N 2.92Å; M761-C765 PolarHBondContact O-SG 2.61Å |
| 762 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 178.9 | -71.1 | 169.4 | 0 | 0 | 0 | 111.7 | L703 L707 T758 W764 C765 L766 W787 I790 K791 V794 | L703-L762 HydrophobicContact CD1-CD2 4.19Å; L703-L762 HydrophobicContact CD1-CG 4.42Å; L703-L762 HydrophobicContact CD2-CD2 4.04Å; L703-L762 HydrophobicContact CG-CD2 4.43Å; L707-L762 HydrophobicContact CD2-CD1 4.17Å; T758-L762 HydrophobicContact CG2-CD1 3.98Å; T758-L762 WeakPolarHBondContact O-CG 3.31Å; T758-L762 PolarHBondContact O-N 2.86Å; L762-W764 VanDerWaalsContact C-N 3.3Å; L762-W764 PolarHBondContact O-N 2.89Å; L762-C765 WeakPolarHBondContact O-CB 3.17Å; L762-C765 PolarHBondContact O-N 3.3Å; L762-L766 WeakPolarHBondContact O-CB 3.27Å; L762-L766 WeakPolarHBondContact O-CD1 3.44Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 3.43Å; L762-W787 HydrophobicContact CD2-CE3 3.54Å; L762-W787 HydrophobicContact CD2-CZ3 4.12Å; L762-I790 HydrophobicContact CD1-CG2 4.05Å; L762-K791 HydrophobicContact CB-CB 3.92Å; L762-K791 HydrophobicContact CB-CG 3.96Å; L762-K791 HydrophobicContact CD1-CB 4.15Å; L762-V794 HydrophobicContact CD1-CG2 4.36Å |
| 763 | S | 97.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -42 | -179.8 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | F759 D760 L766 K767 K791 | F759-S763 VanDerWaalsContact CE2-OG 3.23Å; F759-S763 WeakPolarHBondContact CE2-OG 3.37Å; F759-S763 VanDerWaalsContact CZ-OG 3.31Å; F759-S763 WeakPolarHBondContact CZ-OG 3.36Å; F759-S763 WeakPolarHBondContact O-CB 3.48Å; F759-S763 PolarHBondContact O-N 3.43Å; F759-S763 PolarHBondContact O-OG 3.24Å; D760-S763 PolarHBondContact O-N 3.31Å; S763-L766 PolarHBondContact O-N 3.33Å; S763-K767 WeakPolarHBondContact O-CG 3.27Å; S763-K767 PolarHBondContact O-N 2.91Å; S763-K791 WeakPolarHBondContact OG-CE 3.43Å |
| 764 | W | 97.5 | Very high | 96.9 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 177 | -177.3 | 95.4 | 0 | 0 | 0 | 112 | W690 H696 L699 D760 M761 L762 L766 K767 S770 P771 V772 | W690-W764 HydrophobicContact CH2-CB 3.62Å; W690-W764 AromaticContact CH2-CD2 3.92Å; W690-W764 HydrophobicContact CH2-CD2 3.92Å; W690-W764 HydrophobicContact CH2-CE3 4.25Å; W690-W764 AromaticContact CH2-CG 3.6Å; W690-W764 HydrophobicContact CH2-CG 3.6Å; W690-W764 HydrophobicContact CZ2-CB 4.02Å; W690-W764 AromaticContact CZ2-CD1 3.99Å; W690-W764 AromaticContact CZ2-CD2 3.33Å; W690-W764 HydrophobicContact CZ2-CD2 3.33Å; W690-W764 AromaticContact CZ2-CE2 3.81Å; W690-W764 AromaticContact CZ2-CE3 3.52Å; W690-W764 HydrophobicContact CZ2-CE3 3.52Å; W690-W764 AromaticContact CZ2-CG 3.52Å; W690-W764 HydrophobicContact CZ2-CG 3.52Å; W690-W764 HydrophobicContact CZ2-CZ2 4.45Å; W690-W764 HydrophobicContact CZ2-CZ3 4.18Å; H696-W764 HydrophobicContact CB-CH2 4.42Å; H696-W764 AromaticContact CD2-CH2 3.97Å; H696-W764 AromaticContact CE1-CH2 3.17Å; H696-W764 WeakPolarHBondContact CE1-CH2 3.22Å; H696-W764 AromaticContact CE1-CZ2 3.34Å; H696-W764 WeakPolarHBondContact CE1-CZ2 3.48Å; H696-W764 AromaticContact CG-CH2 3.6Å; H696-W764 AromaticContact ND1-CH2 3.07Å; H696-W764 WeakPolarHBondContact ND1-CH2 3.26Å; H696-W764 AromaticContact ND1-CZ2 3.73Å; H696-W764 AromaticContact ND1-CZ3 3.72Å; H696-W764 AromaticContact NE2-CH2 3.71Å; H696-W764 AromaticContact NE2-CZ2 3.9Å; L699-W764 HydrophobicContact CD2-CE3 3.92Å; L699-W764 HydrophobicContact CD2-CZ3 4.03Å; D760-W764 VanDerWaalsContact O-CB 3.3Å; D760-W764 WeakPolarHBondContact O-CB 3.5Å; D760-W764 PolarHBondContact O-N 3Å; M761-W764 PolarHBondContact O-N 2.98Å; L762-W764 VanDerWaalsContact C-N 3.3Å; L762-W764 PolarHBondContact O-N 2.89Å; W764-L766 PolarHBondContact O-N 3.3Å; W764-K767 PolarHBondContact O-N 3.42Å; W764-S770 WeakPolarHBondContact CH2-OG 3.23Å; W764-S770 VanDerWaalsContact CZ3-OG 3.22Å; W764-S770 WeakPolarHBondContact CZ3-OG 3.27Å; W764-S770 VanDerWaalsContact O-CB 3.23Å; W764-S770 WeakPolarHBondContact O-CB 3.31Å; W764-S770 PolarHBondContact O-OG 3.3Å; W764-P771 HydrophobicContact CH2-CG 3.79Å; W764-P771 HydrophobicContact CZ2-CG 4.3Å; W764-V772 HydrophobicContact CH2-CG2 4.44Å; W764-V772 HydrophobicContact CZ3-CG2 3.72Å |
| 765 | C | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.4 | -34.4 | 174.3 | -86.6 | 0 | 0 | 0 | 0 | 113.1 | L699 M761 L762 V772 Y773 I776 | L699-C765 WeakPolarHBondContact CD2-SG 3.34Å; M761-C765 WeakPolarHBondContact O-CB 3.44Å; M761-C765 PolarHBondContact O-N 2.92Å; M761-C765 PolarHBondContact O-SG 2.61Å; L762-C765 WeakPolarHBondContact O-CB 3.17Å; L762-C765 PolarHBondContact O-N 3.3Å; C765-V772 HydrophobicContact CB-CG2 4.41Å; C765-Y773 WeakPolarHBondContact O-CA 3.08Å; C765-I776 HydrophobicContact CB-CB 4.43Å; C765-I776 HydrophobicContact CB-CD1 4.23Å; C765-I776 HydrophobicContact CB-CG1 3.84Å; C765-I776 HydrophobicContact CB-CG2 4.23Å |
| 766 | L | 97.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.2 | -178.2 | -69.7 | 163 | 0 | 0 | 0 | 114.1 | L762 S763 W764 Y773 I776 W787 K791 | L762-L766 WeakPolarHBondContact O-CB 3.27Å; L762-L766 WeakPolarHBondContact O-CD1 3.44Å; L762-L766 WeakPolarHBondContact O-CG 3.46Å; L762-L766 PolarHBondContact O-N 3.43Å; S763-L766 PolarHBondContact O-N 3.33Å; W764-L766 PolarHBondContact O-N 3.3Å; L766-Y773 WeakPolarHBondContact O-CE2 3.25Å; L766-I776 HydrophobicContact CD2-CG2 3.6Å; L766-I776 HydrophobicContact CG-CG2 3.98Å; L766-W787 HydrophobicContact CD1-CB 4.47Å; L766-W787 HydrophobicContact CD2-CB 4.35Å; L766-K791 HydrophobicContact CD1-CB 3.91Å; L766-K791 HydrophobicContact CD1-CD 3.82Å; L766-K791 HydrophobicContact CD1-CG 4.24Å |
| 767 | K | 96.3 | Very high | 96.2 | Very high | 94 Ų | 94 | 41.8 Ų | 41.8 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -72.9 | 135.9 | 169.2 | -67.5 | -177.5 | 179.2 | 179.7 | 0 | 109.5 | S763 W764 D769 S770 Y773 | S763-K767 WeakPolarHBondContact O-CG 3.27Å; S763-K767 PolarHBondContact O-N 2.91Å; W764-K767 PolarHBondContact O-N 3.42Å; K767-D769 VanDerWaalsContact CB-OD1 3.25Å; K767-D769 WeakPolarHBondContact CB-OD1 3.45Å; K767-D769 PolarHBondContact O-N 2.96Å; K767-D769 VanDerWaalsContact O-N 3.11Å; K767-S770 WeakPolarHBondContact O-CB 3.3Å; K767-S770 PolarHBondContact O-N 3.4Å; K767-Y773 WeakPolarHBondContact O-CB 3.4Å; K767-Y773 VanDerWaalsContact O-CD2 3.23Å; K767-Y773 WeakPolarHBondContact O-CD2 3.47Å |
| 768 | S | 93.8 | Very high | 95.8 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 72% | 0.72 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.5 | -176.9 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 769 | D | 95 | Very high | 95.4 | Very high | 131 Ų | 131 | 47 Ų | 47 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 0.8 | 176.1 | 64.9 | -23.7 | 0 | 0 | 0 | 113.4 | K767 | K767-D769 VanDerWaalsContact CB-OD1 3.25Å; K767-D769 WeakPolarHBondContact CB-OD1 3.45Å; K767-D769 PolarHBondContact O-N 2.96Å; K767-D769 VanDerWaalsContact O-N 3.11Å |
| 770 | S | 95.6 | Very high | 95 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | trans | -67.5 | 133.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | W764 K767 V772 Y773 | W764-S770 WeakPolarHBondContact CH2-OG 3.23Å; W764-S770 VanDerWaalsContact CZ3-OG 3.22Å; W764-S770 WeakPolarHBondContact CZ3-OG 3.27Å; W764-S770 VanDerWaalsContact O-CB 3.23Å; W764-S770 WeakPolarHBondContact O-CB 3.31Å; W764-S770 PolarHBondContact O-OG 3.3Å; K767-S770 WeakPolarHBondContact O-CB 3.3Å; K767-S770 PolarHBondContact O-N 3.4Å; S770-V772 PolarHBondContact O-N 3.13Å; S770-V772 WeakPolarHBondContact OG-CG2 3.14Å; S770-Y773 VanDerWaalsContact O-CB 3.28Å; S770-Y773 WeakPolarHBondContact O-CB 3.45Å; S770-Y773 PolarHBondContact O-N 3.49Å | ||
| 771 | P | 95 | Very high | 94.6 | Very high | 87 Ų | 87 | 46 Ų | 46 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.9 | 178.6 | 26.5 | -34.9 | 0 | 0 | 0 | 113.6 | H696 W764 | H696-P771 WeakPolarHBondContact CD2-CG 3.13Å; W764-P771 HydrophobicContact CH2-CG 3.79Å; W764-P771 HydrophobicContact CZ2-CG 4.3Å |
| 772 | V | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.6 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | H696 L700 W764 C765 S770 D774 Q775 I776 | H696-V772 HydrophobicContact CB-CG1 3.77Å; L700-V772 HydrophobicContact CD1-CB 4.1Å; L700-V772 HydrophobicContact CD1-CG1 3.65Å; L700-V772 HydrophobicContact CD2-CB 4.05Å; L700-V772 HydrophobicContact CD2-CG1 4.35Å; L700-V772 HydrophobicContact CD2-CG2 4.29Å; L700-V772 HydrophobicContact CG-CB 4.25Å; L700-V772 HydrophobicContact CG-CG1 3.99Å; W764-V772 HydrophobicContact CH2-CG2 4.44Å; W764-V772 HydrophobicContact CZ3-CG2 3.72Å; C765-V772 HydrophobicContact CB-CG2 4.41Å; S770-V772 PolarHBondContact O-N 3.13Å; S770-V772 WeakPolarHBondContact OG-CG2 3.14Å; V772-D774 PolarHBondContact O-N 3.17Å; V772-Q775 PolarHBondContact O-N 3.24Å; V772-Q775 VanDerWaalsContact O-N 3.16Å; V772-I776 HydrophobicContact CG2-CG1 4.29Å; V772-I776 WeakPolarHBondContact O-CG1 3.46Å; V772-I776 PolarHBondContact O-N 3.42Å |
| 773 | Y | 96.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 29% | 0.29 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54 | -51.9 | -177.4 | 177 | -100.3 | 0 | 0 | 0 | 112.4 | C765 L766 K767 S770 Q775 I776 V777 | C765-Y773 WeakPolarHBondContact O-CA 3.08Å; L766-Y773 WeakPolarHBondContact O-CE2 3.25Å; K767-Y773 WeakPolarHBondContact O-CB 3.4Å; K767-Y773 VanDerWaalsContact O-CD2 3.23Å; K767-Y773 WeakPolarHBondContact O-CD2 3.47Å; S770-Y773 VanDerWaalsContact O-CB 3.28Å; S770-Y773 WeakPolarHBondContact O-CB 3.45Å; S770-Y773 PolarHBondContact O-N 3.49Å; Y773-Q775 VanDerWaalsContact C-N 3.28Å; Y773-Q775 PolarHBondContact O-N 3.22Å; Y773-I776 PolarHBondContact O-N 2.85Å; Y773-V777 HydrophobicContact CD1-CG1 4.29Å; Y773-V777 HydrophobicContact CE1-CB 4.35Å; Y773-V777 HydrophobicContact CE1-CG1 3.95Å; Y773-V777 HydrophobicContact CE2-CB 4.46Å; Y773-V777 WeakPolarHBondContact O-CG1 3.39Å; Y773-V777 PolarHBondContact O-N 2.84Å |
| 774 | D | 92.8 | Very high | 93.5 | Very high | 112 Ų | 112 | 57.2 Ų | 57.2 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.2 | -35.2 | -179.2 | -70.6 | -27.7 | 0 | 0 | 0 | 112.2 | V772 I776 N778 | V772-D774 PolarHBondContact O-N 3.17Å; D774-I776 VanDerWaalsContact C-N 3.29Å; D774-I776 PolarHBondContact O-N 3.43Å; D774-N778 WeakPolarHBondContact O-CB 3.36Å; D774-N778 PolarHBondContact O-N 3.16Å; D774-N778 PolarHBondContact O-ND2 3.47Å |
| 775 | Q | 92 | Very high | 93.3 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.1 | -31.9 | 175.6 | -64.5 | -178.7 | -76.4 | 0 | 0 | 111.2 | M563 V772 Y773 N779 | M563-Q775 HydrophobicContact CG-CB 4.08Å; M563-Q775 HydrophobicContact SD-CB 4.07Å; V772-Q775 PolarHBondContact O-N 3.24Å; V772-Q775 VanDerWaalsContact O-N 3.16Å; Y773-Q775 VanDerWaalsContact C-N 3.28Å; Y773-Q775 PolarHBondContact O-N 3.22Å; Q775-N779 WeakPolarHBondContact O-CB 3.26Å; Q775-N779 PolarHBondContact O-ND2 2.89Å |
| 776 | I | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -85.4 | -47.8 | -177.9 | -67.9 | -75.3 | 0 | 0 | 0 | 111.1 | L700 L703 C765 L766 V772 Y773 D774 N778 N779 W787 | L700-I776 HydrophobicContact CD2-CD1 3.67Å; L700-I776 HydrophobicContact CD2-CG1 4Å; L703-I776 HydrophobicContact CD2-CD1 4.07Å; C765-I776 HydrophobicContact CB-CB 4.43Å; C765-I776 HydrophobicContact CB-CD1 4.23Å; C765-I776 HydrophobicContact CB-CG1 3.84Å; C765-I776 HydrophobicContact CB-CG2 4.23Å; L766-I776 HydrophobicContact CD2-CG2 3.6Å; L766-I776 HydrophobicContact CG-CG2 3.98Å; V772-I776 HydrophobicContact CG2-CG1 4.29Å; V772-I776 WeakPolarHBondContact O-CG1 3.46Å; V772-I776 PolarHBondContact O-N 3.42Å; Y773-I776 PolarHBondContact O-N 2.85Å; D774-I776 VanDerWaalsContact C-N 3.29Å; D774-I776 PolarHBondContact O-N 3.43Å; I776-N778 VanDerWaalsContact C-N 3.3Å; I776-N778 PolarHBondContact O-N 3.33Å; I776-N779 PolarHBondContact O-N 3.39Å; I776-W787 HydrophobicContact CD1-CD2 4.46Å; I776-W787 HydrophobicContact CG2-CB 3.7Å; I776-W787 HydrophobicContact CG2-CD2 4.47Å; I776-W787 HydrophobicContact CG2-CG 3.78Å |
| 777 | V | 93.6 | Very high | 93 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 38% | 0.382 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -30 | -174.7 | 76 | 0 | 0 | 0 | 0 | 113.1 | Y773 N779 | Y773-V777 HydrophobicContact CD1-CG1 4.29Å; Y773-V777 HydrophobicContact CE1-CB 4.35Å; Y773-V777 HydrophobicContact CE1-CG1 3.95Å; Y773-V777 HydrophobicContact CE2-CB 4.46Å; Y773-V777 WeakPolarHBondContact O-CG1 3.39Å; Y773-V777 PolarHBondContact O-N 2.84Å; V777-N779 VanDerWaalsContact C-N 3.34Å |
| 778 | N | 90.1 | Very high | 93 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 1.4 | -178.5 | -65 | -48.2 | 0 | 0 | 0 | 113.7 | V559 D774 I776 | V559-N778 HydrophobicContact CG1-CB 4.22Å; D774-N778 WeakPolarHBondContact O-CB 3.36Å; D774-N778 PolarHBondContact O-N 3.16Å; D774-N778 PolarHBondContact O-ND2 3.47Å; I776-N778 VanDerWaalsContact C-N 3.3Å; I776-N778 PolarHBondContact O-N 3.33Å |
| 779 | N | 90.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | trans | -124.7 | 167 | -174.4 | -73.8 | -41.7 | 0 | 0 | 0 | 112.3 | V559 T560 Q775 I776 V777 W787 | V559-N779 PolarHBondContact O-ND2 3.18Å; V559-N779 PolarHBondContact O-OD1 2.8Å; T560-N779 WeakPolarHBondContact CA-OD1 3.39Å; T560-N779 VanDerWaalsContact CB-OD1 3.29Å; T560-N779 WeakPolarHBondContact CB-OD1 3.44Å; T560-N779 HydrophobicContact CG2-CB 4.47Å; T560-N779 PolarHBondContact N-OD1 3.41Å; T560-N779 PolarHBondContact OG1-OD1 2.87Å; Q775-N779 WeakPolarHBondContact O-CB 3.26Å; Q775-N779 PolarHBondContact O-ND2 2.89Å; I776-N779 PolarHBondContact O-N 3.39Å; V777-N779 VanDerWaalsContact C-N 3.34Å; N779-W787 PolarHBondContact O-NE1 2.88Å | ||
| 780 | T | 89.7 | Confident | 93.2 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 164.8 | 176.7 | 56 | 0 | 0 | 0 | 0 | 111.1 | Q784 R785 | T780-Q784 PolarHBondContact OG1-OE1 3.3Å; T780-R785 WeakPolarHBondContact CA-O 3.46Å; T780-R785 WeakPolarHBondContact CB-O 3.1Å |
| 781 | D | 90.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | trans | -78.7 | -176.2 | 173.1 | 88.7 | -34.8 | 0 | 0 | 0 | 112.5 | L707 R711 T783 Q784 R785 W787 I790 | L707-D781 HydrophobicContact CD1-CB 4.5Å; R711-D781 IonicContact CZ-OD2 2.74Å; R711-D781 IonicContact NH1-OD2 2.86Å; R711-D781 PolarHBondContact NH1-OD2 3.25Å; R711-D781 IonicContact NH2-OD2 3.9Å; R711-D781 PolarHBondContact NH2-OD2 3.03Å; D781-T783 PolarHBondContact O-N 3.36Å; D781-T783 VanDerWaalsContact O-N 3.1Å; D781-T783 WeakPolarHBondContact OD1-CA 3.34Å; D781-T783 PolarHBondContact OD1-N 2.86Å; D781-T783 PolarHBondContact OD1-OG1 3.12Å; D781-T783 PolarHBondContact OD2-OG1 3.42Å; D781-Q784 PolarHBondContact O-N 3.31Å; D781-Q784 PolarHBondContact OD1-N 2.95Å; D781-R785 PolarHBondContact N-O 3.48Å; D781-R785 VanDerWaalsContact N-O 3.09Å; D781-R785 PolarHBondContact OD1-N 3.46Å; D781-W787 HydrophobicContact CB-CH2 4.47Å; D781-W787 HydrophobicContact CB-CZ2 4.39Å; D781-I790 HydrophobicContact CB-CD1 3.7Å | ||
| 782 | D | 89.9 | Confident | 93.4 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.4 | 178.3 | 68.1 | -39.4 | 0 | 0 | 0 | 114 | L548 R708 R711 | L548-D782 HydrophobicContact CD2-CB 3.76Å; R708-D782 IonicContact CZ-OD2 3.32Å; R708-D782 IonicContact NH1-OD2 2.7Å; R708-D782 PolarHBondContact NH1-OD2 2.85Å; R711-D782 IonicContact CZ-OD1 3.15Å; R711-D782 IonicContact NH1-OD1 3.09Å; R711-D782 PolarHBondContact NH1-OD1 3.48Å; R711-D782 IonicContact NH2-OD1 2.72Å; R711-D782 PolarHBondContact NH2-OD1 3.06Å |
| 783 | T | 91.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 12.1 | 175.4 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | R711 D781 R785 | R711-T783 PolarHBondContact NH1-OG1 3.07Å; R711-T783 VanDerWaalsContact NH1-OG1 3.09Å; D781-T783 PolarHBondContact O-N 3.36Å; D781-T783 VanDerWaalsContact O-N 3.1Å; D781-T783 WeakPolarHBondContact OD1-CA 3.34Å; D781-T783 PolarHBondContact OD1-N 2.86Å; D781-T783 PolarHBondContact OD1-OG1 3.12Å; D781-T783 PolarHBondContact OD2-OG1 3.42Å; T783-R785 PolarHBondContact O-N 3.1Å |
| 784 | Q | 90.3 | Very high | 93.6 | Very high | 148 Ų | 148 | 53.1 Ų | 53.1 | 69% | 0.692 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 63.1 | 21.9 | -179.1 | -53.5 | -59.8 | -47.4 | 0 | 0 | 114 | T780 D781 | T780-Q784 PolarHBondContact OG1-OE1 3.3Å; D781-Q784 PolarHBondContact O-N 3.31Å; D781-Q784 PolarHBondContact OD1-N 2.95Å |
| 785 | R | 93.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | trans | -92.6 | 149.2 | 176.2 | -64.5 | 177.5 | 70.7 | -155.1 | -0.1 | 110.2 | T780 D781 T783 E789 I790 E793 | T780-R785 WeakPolarHBondContact CA-O 3.46Å; T780-R785 WeakPolarHBondContact CB-O 3.1Å; D781-R785 PolarHBondContact N-O 3.48Å; D781-R785 VanDerWaalsContact N-O 3.09Å; D781-R785 PolarHBondContact OD1-N 3.46Å; T783-R785 PolarHBondContact O-N 3.1Å; R785-E789 IonicContact CZ-OE1 2.99Å; R785-E789 IonicContact NE-OE1 3Å; R785-E789 PolarHBondContact NE-OE1 3.33Å; R785-E789 IonicContact NE-OE2 3.27Å; R785-E789 IonicContact NH2-OE1 2.86Å; R785-E789 PolarHBondContact NH2-OE1 2.93Å; R785-I790 HydrophobicContact CB-CD1 4.11Å; R785-I790 HydrophobicContact CB-CG1 4.16Å; R785-E793 IonicContact CZ-OE2 2.77Å; R785-E793 IonicContact NH1-OE2 2.76Å; R785-E793 PolarHBondContact NH1-OE2 3.42Å; R785-E793 IonicContact NH2-OE2 3.21Å; R785-E793 PolarHBondContact NH2-OE2 3.3Å | ||
| 786 | S | 93.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 144.8 | 176.4 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | S788 E789 I790 | S786-S788 PolarHBondContact O-N 3.06Å; S786-E789 PolarHBondContact O-N 2.84Å; S786-E789 VanDerWaalsContact OG-CB 3.28Å; S786-E789 WeakPolarHBondContact OG-CB 3.26Å; S786-E789 PolarHBondContact OG-N 3.13Å; S786-I790 WeakPolarHBondContact O-CG1 3.26Å; S786-I790 PolarHBondContact O-N 2.89Å |
| 787 | W | 94.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -30.7 | 177.7 | -63.6 | 94.7 | 0 | 0 | 0 | 112.9 | L703 P704 L707 L762 L766 I776 N779 D781 I790 K791 | L703-W787 HydrophobicContact CD2-CE3 3.92Å; L703-W787 HydrophobicContact CD2-CH2 4.11Å; L703-W787 HydrophobicContact CD2-CZ3 3.52Å; L703-W787 HydrophobicContact CG-CE3 4.39Å; L703-W787 HydrophobicContact CG-CH2 4.14Å; L703-W787 HydrophobicContact CG-CZ3 3.59Å; P704-W787 HydrophobicContact CG-CH2 4.04Å; L707-W787 HydrophobicContact CD1-CE3 3.74Å; L707-W787 HydrophobicContact CD1-CH2 4Å; L707-W787 HydrophobicContact CD1-CZ3 3.19Å; L707-W787 HydrophobicContact CG-CZ3 4.07Å; L762-W787 HydrophobicContact CD2-CE3 3.54Å; L762-W787 HydrophobicContact CD2-CZ3 4.12Å; L766-W787 HydrophobicContact CD1-CB 4.47Å; L766-W787 HydrophobicContact CD2-CB 4.35Å; I776-W787 HydrophobicContact CD1-CD2 4.46Å; I776-W787 HydrophobicContact CG2-CB 3.7Å; I776-W787 HydrophobicContact CG2-CD2 4.47Å; I776-W787 HydrophobicContact CG2-CG 3.78Å; N779-W787 PolarHBondContact O-NE1 2.88Å; D781-W787 HydrophobicContact CB-CH2 4.47Å; D781-W787 HydrophobicContact CB-CZ2 4.39Å; W787-I790 PolarHBondContact O-N 3.43Å; W787-K791 WeakPolarHBondContact O-CB 3.35Å; W787-K791 PolarHBondContact O-N 3Å |
| 788 | S | 96 | Very high | 94.6 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.1 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | S786 I790 K791 D792 | S786-S788 PolarHBondContact O-N 3.06Å; S788-I790 VanDerWaalsContact C-N 3.33Å; S788-I790 PolarHBondContact O-N 3.46Å; S788-K791 WeakPolarHBondContact O-CB 3.37Å; S788-K791 PolarHBondContact O-N 2.63Å; S788-D792 PolarHBondContact O-N 3.4Å; S788-D792 VanDerWaalsContact O-N 3.11Å |
| 789 | E | 96.7 | Very high | 95 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.4 | -175 | -165.9 | 154.2 | 0 | 0 | 111.3 | R785 S786 D792 E793 | R785-E789 IonicContact CZ-OE1 2.99Å; R785-E789 IonicContact NE-OE1 3Å; R785-E789 PolarHBondContact NE-OE1 3.33Å; R785-E789 IonicContact NE-OE2 3.27Å; R785-E789 IonicContact NH2-OE1 2.86Å; R785-E789 PolarHBondContact NH2-OE1 2.93Å; S786-E789 PolarHBondContact O-N 2.84Å; S786-E789 VanDerWaalsContact OG-CB 3.28Å; S786-E789 WeakPolarHBondContact OG-CB 3.26Å; S786-E789 PolarHBondContact OG-N 3.13Å; E789-D792 PolarHBondContact O-N 3.4Å; E789-E793 PolarHBondContact O-N 3.32Å |
| 790 | I | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.1 | -61.6 | 167.8 | 0 | 0 | 0 | 110.8 | L707 L762 D781 R785 S786 W787 S788 D792 E793 V794 | L707-I790 HydrophobicContact CD1-CD1 3.93Å; L707-I790 HydrophobicContact CD1-CG2 3.92Å; L707-I790 HydrophobicContact CD2-CG2 4Å; L762-I790 HydrophobicContact CD1-CG2 4.05Å; D781-I790 HydrophobicContact CB-CD1 3.7Å; R785-I790 HydrophobicContact CB-CD1 4.11Å; R785-I790 HydrophobicContact CB-CG1 4.16Å; S786-I790 WeakPolarHBondContact O-CG1 3.26Å; S786-I790 PolarHBondContact O-N 2.89Å; W787-I790 PolarHBondContact O-N 3.43Å; S788-I790 VanDerWaalsContact C-N 3.33Å; S788-I790 PolarHBondContact O-N 3.46Å; I790-D792 VanDerWaalsContact C-N 3.33Å; I790-D792 PolarHBondContact O-N 3.03Å; I790-E793 PolarHBondContact O-N 2.8Å; I790-V794 HydrophobicContact CG2-CG2 4.24Å; I790-V794 VanDerWaalsContact O-CG2 3.28Å; I790-V794 WeakPolarHBondContact O-CG2 3.47Å; I790-V794 PolarHBondContact O-N 3.03Å |
| 791 | K | 97.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 52 Ų | 52 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.7 | 179 | -144.1 | 157.5 | -142.9 | 0 | 111.4 | F759 L762 S763 L766 W787 S788 V794 Q795 | F759-K791 HydrophobicContact CD2-CG 4.16Å; F759-K791 HydrophobicContact CE2-CG 4.23Å; L762-K791 HydrophobicContact CB-CB 3.92Å; L762-K791 HydrophobicContact CB-CG 3.96Å; L762-K791 HydrophobicContact CD1-CB 4.15Å; S763-K791 WeakPolarHBondContact OG-CE 3.43Å; L766-K791 HydrophobicContact CD1-CB 3.91Å; L766-K791 HydrophobicContact CD1-CD 3.82Å; L766-K791 HydrophobicContact CD1-CG 4.24Å; W787-K791 WeakPolarHBondContact O-CB 3.35Å; W787-K791 PolarHBondContact O-N 3Å; S788-K791 WeakPolarHBondContact O-CB 3.37Å; S788-K791 PolarHBondContact O-N 2.63Å; K791-V794 PolarHBondContact O-N 2.8Å; K791-Q795 WeakPolarHBondContact O-CB 3.11Å; K791-Q795 PolarHBondContact O-N 3.33Å |
| 792 | D | 97.9 | Very high | 96.1 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.7 | -35.1 | -178.6 | -66.3 | -14.8 | 0 | 0 | 0 | 111.9 | S788 E789 I790 Q795 T796 | S788-D792 PolarHBondContact O-N 3.4Å; S788-D792 VanDerWaalsContact O-N 3.11Å; E789-D792 PolarHBondContact O-N 3.4Å; I790-D792 VanDerWaalsContact C-N 3.33Å; I790-D792 PolarHBondContact O-N 3.03Å; D792-Q795 PolarHBondContact O-N 3.25Å; D792-T796 PolarHBondContact O-N 3.14Å; D792-T796 PolarHBondContact O-OG1 2.78Å |
| 793 | E | 97.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 170.6 | -179.3 | -175 | 158.1 | 0 | 0 | 111.5 | R785 E789 I790 Q795 T796 L797 | R785-E793 IonicContact CZ-OE2 2.77Å; R785-E793 IonicContact NH1-OE2 2.76Å; R785-E793 PolarHBondContact NH1-OE2 3.42Å; R785-E793 IonicContact NH2-OE2 3.21Å; R785-E793 PolarHBondContact NH2-OE2 3.3Å; E789-E793 PolarHBondContact O-N 3.32Å; I790-E793 PolarHBondContact O-N 2.8Å; E793-Q795 VanDerWaalsContact C-N 3.27Å; E793-Q795 PolarHBondContact O-N 2.8Å; E793-T796 WeakPolarHBondContact O-CB 3.31Å; E793-T796 PolarHBondContact O-N 2.92Å; E793-T796 VanDerWaalsContact O-N 3.13Å; E793-L797 WeakPolarHBondContact O-CB 3.14Å; E793-L797 PolarHBondContact O-N 3.38Å |
| 794 | V | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 179.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | L710 L755 T758 F759 L762 I790 K791 L797 F798 | L710-V794 HydrophobicContact CD2-CG2 4.48Å; L755-V794 WeakPolarHBondContact O-CG1 3.25Å; T758-V794 HydrophobicContact CG2-CG1 4.19Å; T758-V794 HydrophobicContact CG2-CG2 4.29Å; F759-V794 HydrophobicContact CB-CG1 3.99Å; L762-V794 HydrophobicContact CD1-CG2 4.36Å; I790-V794 HydrophobicContact CG2-CG2 4.24Å; I790-V794 VanDerWaalsContact O-CG2 3.28Å; I790-V794 WeakPolarHBondContact O-CG2 3.47Å; I790-V794 PolarHBondContact O-N 3.03Å; K791-V794 PolarHBondContact O-N 2.8Å; V794-L797 PolarHBondContact O-N 3.29Å; V794-F798 VanDerWaalsContact O-CB 3.29Å; V794-F798 WeakPolarHBondContact O-CB 3.33Å; V794-F798 PolarHBondContact O-N 2.87Å |
| 795 | Q | 98 | Very high | 97.2 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.3 | -171.6 | 177.6 | 6.6 | 0 | 0 | 112.3 | F759 K791 D792 E793 T799 | F759-Q795 HydrophobicContact CD2-CB 3.66Å; F759-Q795 HydrophobicContact CD2-CG 4.07Å; F759-Q795 HydrophobicContact CE2-CB 3.63Å; F759-Q795 HydrophobicContact CE2-CG 3.65Å; F759-Q795 HydrophobicContact CZ-CG 4.18Å; K791-Q795 WeakPolarHBondContact O-CB 3.11Å; K791-Q795 PolarHBondContact O-N 3.33Å; D792-Q795 PolarHBondContact O-N 3.25Å; E793-Q795 VanDerWaalsContact C-N 3.27Å; E793-Q795 PolarHBondContact O-N 2.8Å; Q795-T799 PolarHBondContact O-N 2.95Å; Q795-T799 VanDerWaalsContact O-N 3.08Å; Q795-T799 PolarHBondContact O-OG1 3.37Å |
| 796 | T | 98.1 | Very high | 97.4 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.9 | -46.1 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | D792 E793 T799 K800 | D792-T796 PolarHBondContact O-N 3.14Å; D792-T796 PolarHBondContact O-OG1 2.78Å; E793-T796 WeakPolarHBondContact O-CB 3.31Å; E793-T796 PolarHBondContact O-N 2.92Å; E793-T796 VanDerWaalsContact O-N 3.13Å; T796-T799 PolarHBondContact O-N 2.79Å; T796-K800 WeakPolarHBondContact O-CB 3.26Å; T796-K800 PolarHBondContact O-N 3.46Å |
| 797 | L | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.1 | -174.1 | 66.7 | 0 | 0 | 0 | 111.9 | L714 G723 L755 E793 V794 T799 K800 A801 | L714-L797 HydrophobicContact CD1-CD2 3.39Å; L714-L797 HydrophobicContact CD2-CD1 4.37Å; L714-L797 HydrophobicContact CD2-CD2 3.91Å; L714-L797 HydrophobicContact CG-CD2 4.26Å; G723-L797 VanDerWaalsContact CA-CD1 3.42Å; L755-L797 HydrophobicContact CD1-CD2 4.42Å; L755-L797 HydrophobicContact CD1-CG 4.11Å; L755-L797 HydrophobicContact CD2-CD2 3.6Å; L755-L797 HydrophobicContact CD2-CG 4.17Å; E793-L797 WeakPolarHBondContact O-CB 3.14Å; E793-L797 PolarHBondContact O-N 3.38Å; V794-L797 PolarHBondContact O-N 3.29Å; L797-T799 VanDerWaalsContact C-N 3.3Å; L797-T799 PolarHBondContact O-N 2.96Å; L797-K800 PolarHBondContact O-N 2.92Å; L797-A801 WeakPolarHBondContact O-CB 3.47Å; L797-A801 PolarHBondContact O-N 2.92Å |
| 798 | F | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.5 | -44.6 | 175.7 | 169.6 | -107.3 | 0 | 0 | 0 | 111.8 | L752 L755 Y756 V794 R802 I849 | L752-F798 HydrophobicContact CD1-CD2 3.59Å; L752-F798 HydrophobicContact CD1-CE2 3.48Å; L752-F798 VanDerWaalsContact CD1-CE2 3.48Å; L752-F798 HydrophobicContact CD1-CZ 4.48Å; L752-F798 HydrophobicContact CG-CD2 4.42Å; L752-F798 HydrophobicContact CG-CE2 3.94Å; L755-F798 HydrophobicContact CB-CB 4.07Å; L755-F798 HydrophobicContact CB-CD2 4.05Å; Y756-F798 HydrophobicContact CD2-CZ 4.47Å; V794-F798 VanDerWaalsContact O-CB 3.29Å; V794-F798 WeakPolarHBondContact O-CB 3.33Å; V794-F798 PolarHBondContact O-N 2.87Å; F798-R802 VanDerWaalsContact O-CB 3.26Å; F798-R802 WeakPolarHBondContact O-CB 3.19Å; F798-R802 PolarHBondContact O-N 3.29Å; F798-I849 HydrophobicContact CE2-CD1 4Å; F798-I849 HydrophobicContact CZ-CD1 4.01Å |
| 799 | T | 97.5 | Very high | 97.8 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -48.1 | -179.6 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | Q795 T796 L797 R802 D803 | Q795-T799 PolarHBondContact O-N 2.95Å; Q795-T799 VanDerWaalsContact O-N 3.08Å; Q795-T799 PolarHBondContact O-OG1 3.37Å; T796-T799 PolarHBondContact O-N 2.79Å; L797-T799 VanDerWaalsContact C-N 3.3Å; L797-T799 PolarHBondContact O-N 2.96Å; T799-R802 PolarHBondContact O-N 3.17Å; T799-D803 VanDerWaalsContact O-CG 3.26Å; T799-D803 PolarHBondContact O-N 3.25Å; T799-D803 VanDerWaalsContact O-N 3.11Å |
| 800 | K | 98.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 176.4 | -171.4 | -170.1 | -177 | -176.1 | 0 | 111.6 | D721 D722 T796 L797 R802 D803 S804 | D721-K800 WeakPolarHBondContact O-CE 3.45Å; D721-K800 PolarHBondContact O-NZ 3.15Å; D721-K800 IonicContact OD1-NZ 2.69Å; D721-K800 PolarHBondContact OD1-NZ 2.79Å; D721-K800 IonicContact OD2-NZ 3.37Å; D721-K800 PolarHBondContact OD2-NZ 3.45Å; D722-K800 CarbonylContact O-C 3.6Å; D722-K800 WeakPolarHBondContact O-CG 3.25Å; T796-K800 WeakPolarHBondContact O-CB 3.26Å; T796-K800 PolarHBondContact O-N 3.46Å; L797-K800 PolarHBondContact O-N 2.92Å; K800-R802 PolarHBondContact O-N 2.93Å; K800-D803 PolarHBondContact O-N 3.42Å; K800-S804 PolarHBondContact O-N 3.06Å |
| 801 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D722 G723 L724 L752 L755 L797 D803 S804 Y805 | D722-A801 WeakPolarHBondContact O-CA 3.39Å; D722-A801 PolarHBondContact O-N 2.79Å; G723-A801 WeakPolarHBondContact O-CB 3.21Å; L724-A801 HydrophobicContact CD2-CB 3.78Å; L724-A801 HydrophobicContact CG-CB 3.99Å; L752-A801 HydrophobicContact CD1-CB 4.32Å; L755-A801 HydrophobicContact CD1-CB 3.67Å; L797-A801 WeakPolarHBondContact O-CB 3.47Å; L797-A801 PolarHBondContact O-N 2.92Å; A801-D803 VanDerWaalsContact C-N 3.34Å; A801-D803 PolarHBondContact O-N 3.02Å; A801-S804 PolarHBondContact O-N 2.56Å; A801-Y805 VanDerWaalsContact O-CB 3.24Å; A801-Y805 WeakPolarHBondContact O-CB 3.42Å; A801-Y805 PolarHBondContact O-N 3.35Å |
| 802 | R | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 177.7 | -172.2 | -177.7 | 64.8 | -167 | -6.4 | 111.8 | L752 F798 T799 K800 Y805 N806 I849 | L752-R802 HydrophobicContact CD1-CB 3.73Å; L752-R802 HydrophobicContact CD1-CG 4.35Å; L752-R802 HydrophobicContact CD2-CB 4.41Å; L752-R802 HydrophobicContact CD2-CG 4.21Å; F798-R802 VanDerWaalsContact O-CB 3.26Å; F798-R802 WeakPolarHBondContact O-CB 3.19Å; F798-R802 PolarHBondContact O-N 3.29Å; T799-R802 PolarHBondContact O-N 3.17Å; K800-R802 PolarHBondContact O-N 2.93Å; R802-Y805 PolarHBondContact O-N 2.84Å; R802-N806 PolarHBondContact O-N 2.81Å; R802-N806 VanDerWaalsContact O-N 3.13Å; R802-N806 PolarHBondContact O-ND2 3.2Å; R802-I849 WeakPolarHBondContact CD-O 3.07Å; R802-I849 WeakPolarHBondContact CG-O 3.47Å |
| 803 | D | 97.6 | Very high | 97.7 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | -176.6 | -65.4 | -7.7 | 0 | 0 | 0 | 110 | T799 K800 A801 N806 A807 | T799-D803 VanDerWaalsContact O-CG 3.26Å; T799-D803 PolarHBondContact O-N 3.25Å; T799-D803 VanDerWaalsContact O-N 3.11Å; K800-D803 PolarHBondContact O-N 3.42Å; A801-D803 VanDerWaalsContact C-N 3.34Å; A801-D803 PolarHBondContact O-N 3.02Å; D803-N806 PolarHBondContact O-N 3.14Å; D803-A807 VanDerWaalsContact O-CB 3.32Å; D803-A807 WeakPolarHBondContact O-CB 3.36Å; D803-A807 PolarHBondContact O-N 2.86Å |
| 804 | S | 98.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.6 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | D722 K800 A801 N806 A807 K808 | D722-S804 WeakPolarHBondContact OD2-CB 3.41Å; D722-S804 PolarHBondContact OD2-OG 3.34Å; K800-S804 PolarHBondContact O-N 3.06Å; A801-S804 PolarHBondContact O-N 2.56Å; S804-N806 PolarHBondContact O-N 3.4Å; S804-A807 PolarHBondContact O-N 3.47Å; S804-K808 WeakPolarHBondContact O-CB 3.3Å; S804-K808 WeakPolarHBondContact O-CG 3.48Å; S804-K808 PolarHBondContact O-N 2.86Å; S804-K808 WeakPolarHBondContact OG-CD 3.44Å; S804-K808 WeakPolarHBondContact OG-CE 3.38Å |
| 805 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | -180 | -179 | -88 | 0 | 0 | 0 | 111.2 | L724 L743 A745 A801 R802 L809 Y815 L850 | L724-Y805 HydrophobicContact CD2-CD2 4.41Å; L743-Y805 HydrophobicContact CD1-CD2 4.25Å; A745-Y805 VanDerWaalsContact CA-OH 3.26Å; A745-Y805 WeakPolarHBondContact CA-OH 3.5Å; A745-Y805 PolarHBondContact O-OH 3.09Å; A801-Y805 VanDerWaalsContact O-CB 3.24Å; A801-Y805 WeakPolarHBondContact O-CB 3.42Å; A801-Y805 PolarHBondContact O-N 3.35Å; R802-Y805 PolarHBondContact O-N 2.84Å; Y805-L809 HydrophobicContact CD2-CD1 3.59Å; Y805-L809 HydrophobicContact CE1-CD1 4.38Å; Y805-L809 HydrophobicContact CE2-CD1 3.25Å; Y805-L809 HydrophobicContact CG-CD1 4.25Å; Y805-L809 WeakPolarHBondContact O-CB 3.31Å; Y805-L809 PolarHBondContact O-N 2.75Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; Y805-Y815 HydrophobicContact CD1-CD1 4.13Å; Y805-Y815 AromaticContact CD1-CE1 3.88Å; Y805-Y815 HydrophobicContact CD1-CE1 3.88Å; Y805-Y815 AromaticContact CE1-CD1 3.41Å; Y805-Y815 HydrophobicContact CE1-CD1 3.41Å; Y805-Y815 VanDerWaalsContact CE1-CD1 3.41Å; Y805-Y815 HydrophobicContact CE1-CD2 4.46Å; Y805-Y815 AromaticContact CE1-CE1 3.42Å; Y805-Y815 HydrophobicContact CE1-CE1 3.42Å; Y805-Y815 VanDerWaalsContact CE1-CE1 3.42Å; Y805-Y815 HydrophobicContact CE1-CE2 4.46Å; Y805-Y815 AromaticContact CE1-CG 3.96Å; Y805-Y815 HydrophobicContact CE1-CG 3.96Å; Y805-Y815 AromaticContact CE1-CZ 3.97Å; Y805-L850 HydrophobicContact CD1-CD2 3.76Å; Y805-L850 HydrophobicContact CE1-CD1 4.48Å; Y805-L850 HydrophobicContact CE1-CD2 3.72Å |
| 806 | N | 97.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.1 | -78.6 | -76.9 | 0 | 0 | 0 | 111.8 | R802 D803 S804 K808 W810 Y815 P851 H854 | R802-N806 PolarHBondContact O-N 2.81Å; R802-N806 VanDerWaalsContact O-N 3.13Å; R802-N806 PolarHBondContact O-ND2 3.2Å; D803-N806 PolarHBondContact O-N 3.14Å; S804-N806 PolarHBondContact O-N 3.4Å; N806-K808 PolarHBondContact O-N 2.75Å; N806-W810 WeakPolarHBondContact O-CB 3.21Å; N806-W810 PolarHBondContact O-N 3.06Å; N806-Y815 PolarHBondContact OD1-OH 3.04Å; N806-Y815 VanDerWaalsContact OD1-OH 3.1Å; N806-P851 WeakPolarHBondContact OD1-CD 3.36Å; N806-H854 PolarHBondContact OD1-ND1 3.07Å |
| 807 | A | 97.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 72% | 0.719 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.1 | -39.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | D803 S804 | D803-A807 VanDerWaalsContact O-CB 3.32Å; D803-A807 WeakPolarHBondContact O-CB 3.36Å; D803-A807 PolarHBondContact O-N 2.86Å; S804-A807 PolarHBondContact O-N 3.47Å |
| 808 | K | 96.8 | Very high | 97.6 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -85.2 | -33.7 | -173.7 | -68.7 | -178.3 | -180 | 177.8 | 0 | 113.6 | D720 D722 L743 S804 N806 T819 | D720-K808 IonicContact OD1-NZ 3.4Å; D720-K808 IonicContact OD2-NZ 2.88Å; D720-K808 PolarHBondContact OD2-NZ 3.1Å; D722-K808 WeakPolarHBondContact OD2-CE 3.21Å; D722-K808 IonicContact OD2-NZ 2.72Å; D722-K808 PolarHBondContact OD2-NZ 2.73Å; L743-K808 HydrophobicContact CD2-CB 3.92Å; L743-K808 HydrophobicContact CD2-CD 3.91Å; S804-K808 WeakPolarHBondContact O-CB 3.3Å; S804-K808 WeakPolarHBondContact O-CG 3.48Å; S804-K808 PolarHBondContact O-N 2.86Å; S804-K808 WeakPolarHBondContact OG-CD 3.44Å; S804-K808 WeakPolarHBondContact OG-CE 3.38Å; N806-K808 PolarHBondContact O-N 2.75Å; K808-T819 HydrophobicContact CB-CG2 3.92Å |
| 809 | L | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -109.6 | -22.4 | -170.2 | -67.5 | 174.9 | 0 | 0 | 0 | 115.5 | L743 A745 Y805 T811 Y815 A816 T819 | L743-L809 HydrophobicContact CD1-CD1 4.23Å; L743-L809 HydrophobicContact CD2-CD1 4Å; L743-L809 HydrophobicContact CD2-CG 3.94Å; L743-L809 HydrophobicContact CG-CD1 3.81Å; L743-L809 HydrophobicContact CG-CD2 4.33Å; L743-L809 HydrophobicContact CG-CG 4.08Å; A745-L809 HydrophobicContact CB-CD1 4.42Å; Y805-L809 HydrophobicContact CD2-CD1 3.59Å; Y805-L809 HydrophobicContact CE1-CD1 4.38Å; Y805-L809 HydrophobicContact CE2-CD1 3.25Å; Y805-L809 HydrophobicContact CG-CD1 4.25Å; Y805-L809 WeakPolarHBondContact O-CB 3.31Å; Y805-L809 PolarHBondContact O-N 2.75Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; L809-T811 PolarHBondContact O-N 3.08Å; L809-Y815 HydrophobicContact CB-CD1 3.98Å; L809-Y815 WeakPolarHBondContact O-CA 3.34Å; L809-A816 HydrophobicContact CD2-CB 4.37Å; L809-A816 PolarHBondContact O-N 3.41Å; L809-T819 HydrophobicContact CD2-CG2 3.65Å; L809-T819 HydrophobicContact CG-CG2 4.32Å |
| 810 | W | 98 | Very high | 97.1 | Very high | 62 Ų | 62 | 39 Ų | 39 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 119.7 | -175.8 | -178 | -123.3 | 0 | 0 | 0 | 111.7 | N806 G812 Y815 H854 K857 | N806-W810 WeakPolarHBondContact O-CB 3.21Å; N806-W810 PolarHBondContact O-N 3.06Å; W810-G812 VanDerWaalsContact C-N 3.34Å; W810-G812 VanDerWaalsContact CE2-CA 3.46Å; W810-G812 VanDerWaalsContact CZ2-O 3.29Å; W810-G812 WeakPolarHBondContact CZ2-O 3.31Å; W810-Y815 HydrophobicContact CB-CD1 4.43Å; W810-Y815 HydrophobicContact CB-CE1 4.21Å; W810-Y815 HydrophobicContact CE3-CD1 4.15Å; W810-Y815 HydrophobicContact CE3-CD2 4.28Å; W810-Y815 AromaticContact CE3-CE1 3.93Å; W810-Y815 HydrophobicContact CE3-CE1 3.93Å; W810-Y815 HydrophobicContact CE3-CE2 4.08Å; W810-Y815 HydrophobicContact CE3-CG 4.32Å; W810-Y815 AromaticContact CE3-CZ 3.9Å; W810-Y815 HydrophobicContact CZ3-CD2 4.41Å; W810-Y815 HydrophobicContact CZ3-CE2 4.18Å; W810-H854 AromaticContact CD1-CE1 3.65Å; W810-H854 AromaticContact CD1-NE2 3.92Å; W810-H854 HydrophobicContact CD2-CB 4.43Å; W810-H854 AromaticContact CD2-CE1 3.87Å; W810-H854 AromaticContact CD2-CG 3.88Å; W810-H854 AromaticContact CD2-ND1 3.68Å; W810-H854 AromaticContact CE2-CD2 3.53Å; W810-H854 AromaticContact CE2-CE1 3.75Å; W810-H854 AromaticContact CE2-CG 3.7Å; W810-H854 AromaticContact CE2-ND1 3.84Å; W810-H854 AromaticContact CE2-NE2 3.59Å; W810-H854 HydrophobicContact CE3-CB 4.07Å; W810-H854 AromaticContact CG-CE1 3.83Å; W810-H854 AromaticContact CG-ND1 3.97Å; W810-H854 HydrophobicContact CH2-CB 3.75Å; W810-H854 AromaticContact CH2-CG 3.91Å; W810-H854 HydrophobicContact CZ2-CB 4.1Å; W810-H854 AromaticContact CZ2-CD2 3.48Å; W810-H854 VanDerWaalsContact CZ2-CD2 3.48Å; W810-H854 WeakPolarHBondContact CZ2-CD2 3.21Å; W810-H854 AromaticContact CZ2-CG 3.74Å; W810-H854 AromaticContact CZ2-NE2 3.99Å; W810-H854 HydrophobicContact CZ3-CB 3.71Å; W810-H854 AromaticContact NE1-CD2 3.81Å; W810-H854 AromaticContact NE1-CE1 3.56Å; W810-H854 AromaticContact NE1-NE2 3.36Å; W810-H854 PolarHBondContact NE1-NE2 2.9Å; W810-K857 HydrophobicContact CH2-CB 4.25Å; W810-K857 HydrophobicContact CH2-CD 4.44Å; W810-K857 HydrophobicContact CZ2-CD 4.42Å |
| 811 | T | 96.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | trans | -89.4 | -2.2 | -179.9 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | L809 S813 Y814 A816 | L809-T811 PolarHBondContact O-N 3.08Å; T811-S813 VanDerWaalsContact C-N 3.34Å; T811-S813 PolarHBondContact OG1-N 2.97Å; T811-Y814 WeakPolarHBondContact CB-O 3.46Å; T811-Y814 HydrophobicContact CG2-CE2 4.3Å; T811-Y814 WeakPolarHBondContact CG2-O 3.34Å; T811-Y814 PolarHBondContact N-O 3.48Å; T811-Y814 WeakPolarHBondContact OG1-CD1 3.33Å; T811-Y814 PolarHBondContact OG1-N 3.18Å; T811-Y814 VanDerWaalsContact OG1-N 3.15Å; T811-Y814 PolarHBondContact OG1-O 3.47Å; T811-A816 HydrophobicContact CG2-CB 3.88Å | ||
| 812 | G | 96.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 92 | -14.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114 | W810 K857 | W810-G812 VanDerWaalsContact C-N 3.34Å; W810-G812 VanDerWaalsContact CE2-CA 3.46Å; W810-G812 VanDerWaalsContact CZ2-O 3.29Å; W810-G812 WeakPolarHBondContact CZ2-O 3.31Å; G812-K857 WeakPolarHBondContact O-CD 3.24Å; G812-K857 WeakPolarHBondContact O-CE 3.43Å; G812-K857 PolarHBondContact O-NZ 3.46Å |
| 813 | S | 96.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -135.3 | -30 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 114.9 | T811 K857 T858 T861 | T811-S813 VanDerWaalsContact C-N 3.34Å; T811-S813 PolarHBondContact OG1-N 2.97Å; S813-K857 CarbonylContact O-C 3.2Å; S813-K857 WeakPolarHBondContact OG-CE 3.49Å; S813-T858 WeakPolarHBondContact O-CA 3.5Å; S813-T858 PolarHBondContact O-N 2.71Å; S813-T861 PolarHBondContact O-OG1 2.69Å |
| 814 | Y | 98 | Very high | 94.2 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -151.6 | 176.2 | 176.9 | 62.1 | -79.4 | 0 | 0 | 0 | 109.4 | T811 E826 I828 T861 P883 | T811-Y814 WeakPolarHBondContact CB-O 3.46Å; T811-Y814 HydrophobicContact CG2-CE2 4.3Å; T811-Y814 WeakPolarHBondContact CG2-O 3.34Å; T811-Y814 PolarHBondContact N-O 3.48Å; T811-Y814 WeakPolarHBondContact OG1-CD1 3.33Å; T811-Y814 PolarHBondContact OG1-N 3.18Å; T811-Y814 VanDerWaalsContact OG1-N 3.15Å; T811-Y814 PolarHBondContact OG1-O 3.47Å; Y814-E826 PolarHBondContact OH-O 3.13Å; Y814-I828 HydrophobicContact CD1-CG1 4.32Å; Y814-I828 HydrophobicContact CD2-CB 4.45Å; Y814-I828 HydrophobicContact CD2-CG1 3.93Å; Y814-I828 HydrophobicContact CD2-CG2 4.43Å; Y814-I828 HydrophobicContact CE1-CD1 4.38Å; Y814-I828 HydrophobicContact CE1-CG1 3.97Å; Y814-I828 HydrophobicContact CE2-CB 4.34Å; Y814-I828 HydrophobicContact CE2-CG1 3.53Å; Y814-I828 HydrophobicContact CG-CG1 4.3Å; Y814-T861 HydrophobicContact CD1-CG2 3.75Å; Y814-T861 HydrophobicContact CE1-CG2 4.44Å; Y814-T861 HydrophobicContact CG-CG2 4.19Å; Y814-P883 WeakPolarHBondContact OH-CG 3.49Å |
| 815 | Y | 98.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 126.1 | 172.6 | -64.1 | -84.1 | 0 | 0 | 0 | 109.9 | Y805 N806 L809 W810 Q832 L833 L850 H854 | Y805-Y815 HydrophobicContact CD1-CD1 4.13Å; Y805-Y815 AromaticContact CD1-CE1 3.88Å; Y805-Y815 HydrophobicContact CD1-CE1 3.88Å; Y805-Y815 AromaticContact CE1-CD1 3.41Å; Y805-Y815 HydrophobicContact CE1-CD1 3.41Å; Y805-Y815 VanDerWaalsContact CE1-CD1 3.41Å; Y805-Y815 HydrophobicContact CE1-CD2 4.46Å; Y805-Y815 AromaticContact CE1-CE1 3.42Å; Y805-Y815 HydrophobicContact CE1-CE1 3.42Å; Y805-Y815 VanDerWaalsContact CE1-CE1 3.42Å; Y805-Y815 HydrophobicContact CE1-CE2 4.46Å; Y805-Y815 AromaticContact CE1-CG 3.96Å; Y805-Y815 HydrophobicContact CE1-CG 3.96Å; Y805-Y815 AromaticContact CE1-CZ 3.97Å; N806-Y815 PolarHBondContact OD1-OH 3.04Å; N806-Y815 VanDerWaalsContact OD1-OH 3.1Å; L809-Y815 HydrophobicContact CB-CD1 3.98Å; L809-Y815 WeakPolarHBondContact O-CA 3.34Å; W810-Y815 HydrophobicContact CB-CD1 4.43Å; W810-Y815 HydrophobicContact CB-CE1 4.21Å; W810-Y815 HydrophobicContact CE3-CD1 4.15Å; W810-Y815 HydrophobicContact CE3-CD2 4.28Å; W810-Y815 AromaticContact CE3-CE1 3.93Å; W810-Y815 HydrophobicContact CE3-CE1 3.93Å; W810-Y815 HydrophobicContact CE3-CE2 4.08Å; W810-Y815 HydrophobicContact CE3-CG 4.32Å; W810-Y815 AromaticContact CE3-CZ 3.9Å; W810-Y815 HydrophobicContact CZ3-CD2 4.41Å; W810-Y815 HydrophobicContact CZ3-CE2 4.18Å; Y815-Q832 PolarHBondContact O-OE1 3.11Å; Y815-L833 HydrophobicContact CD2-CD2 4.08Å; Y815-L833 HydrophobicContact CE2-CD2 4.16Å; Y815-L850 HydrophobicContact CE2-CD1 3.97Å; Y815-H854 HydrophobicContact CE2-CB 4.25Å; Y815-H854 VanDerWaalsContact OH-CB 3.3Å; Y815-H854 WeakPolarHBondContact OH-CB 3.4Å; Y815-H854 PolarHBondContact OH-ND1 3.1Å |
| 816 | A | 97.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | trans | -56.1 | 146.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | A745 L809 T811 Q818 R825 | A745-A816 WeakPolarHBondContact CB-O 3.48Å; L809-A816 HydrophobicContact CD2-CB 4.37Å; L809-A816 PolarHBondContact O-N 3.41Å; T811-A816 HydrophobicContact CG2-CB 3.88Å; A816-Q818 PolarHBondContact O-N 3.25Å; A816-R825 HydrophobicContact CB-CG 4.34Å | ||
| 817 | F | 97.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -53.1 | -42.5 | 179.5 | 179 | -107.5 | 0 | 0 | 0 | 111.6 | W738 A740 T744 A745 R824 R825 V827 M829 | W738-F817 HydrophobicContact CD2-CE2 4.12Å; W738-F817 HydrophobicContact CD2-CZ 4.18Å; W738-F817 AromaticContact CE2-CE2 3.77Å; W738-F817 AromaticContact CE2-CZ 3.86Å; W738-F817 HydrophobicContact CE3-CE2 4.37Å; W738-F817 HydrophobicContact CG-CZ 4.4Å; W738-F817 HydrophobicContact CH2-CD2 4.42Å; W738-F817 HydrophobicContact CH2-CE2 4.03Å; W738-F817 HydrophobicContact CZ2-CD2 4.18Å; W738-F817 AromaticContact CZ2-CE2 3.74Å; W738-F817 HydrophobicContact CZ2-CE2 3.74Å; W738-F817 HydrophobicContact CZ2-CZ 4.24Å; W738-F817 HydrophobicContact CZ3-CE2 4.34Å; W738-F817 AromaticContact NE1-CZ 3.92Å; A740-F817 HydrophobicContact CB-CE1 3.84Å; A740-F817 HydrophobicContact CB-CZ 3.89Å; T744-F817 VanDerWaalsContact CA-O 3.27Å; T744-F817 WeakPolarHBondContact CA-O 3.34Å; T744-F817 WeakPolarHBondContact CB-O 3.3Å; A745-F817 PolarHBondContact N-O 3.15Å; F817-R824 WeakPolarHBondContact CB-O 3.19Å; F817-R825 PolarHBondContact N-O 2.66Å; F817-V827 HydrophobicContact CB-CB 4.13Å; F817-V827 WeakPolarHBondContact CB-O 3.5Å; F817-V827 HydrophobicContact CG-CB 4.43Å; F817-M829 HydrophobicContact CD2-CB 4.16Å; F817-M829 HydrophobicContact CD2-SD 4.05Å; F817-M829 HydrophobicContact CE2-SD 3.86Å |
| 818 | Q | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -157.5 | 160.7 | 179.6 | 66.4 | -177 | 26.6 | 0 | 0 | 112.2 | L743 T744 A816 Y820 T822 R825 | L743-Q818 CarbonylContact O-C 3.6Å; L743-Q818 VanDerWaalsContact O-CA 3.23Å; L743-Q818 WeakPolarHBondContact O-CA 3.48Å; T744-Q818 HydrophobicContact CG2-CB 4.04Å; A816-Q818 PolarHBondContact O-N 3.25Å; Q818-Y820 PolarHBondContact NE2-O 2.86Å; Q818-T822 PolarHBondContact NE2-OG1 3.48Å; Q818-T822 VanDerWaalsContact NE2-OG1 3.17Å; Q818-R825 VanDerWaalsContact O-CG 3.3Å; Q818-R825 WeakPolarHBondContact O-CG 3.4Å |
| 819 | T | 94.1 | Very high | 93.4 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -77.1 | -26.2 | 173 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | L743 K808 L809 C821 | L743-T819 HydrophobicContact CB-CG2 3.83Å; L743-T819 HydrophobicContact CD2-CG2 4.03Å; L743-T819 HydrophobicContact CG-CG2 4.16Å; L743-T819 PolarHBondContact N-OG1 3.4Å; L743-T819 PolarHBondContact O-N 3.36Å; K808-T819 HydrophobicContact CB-CG2 3.92Å; L809-T819 HydrophobicContact CD2-CG2 3.65Å; L809-T819 HydrophobicContact CG-CG2 4.32Å; T819-C821 PolarHBondContact O-N 3.46Å |
| 820 | Y | 91.7 | Very high | 93.4 | Very high | 114 Ų | 114 | 42.4 Ų | 42.4 | 45% | 0.447 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -66 | 118.5 | -177.5 | -170.8 | -108.1 | 0 | 0 | 0 | 111.9 | K741 Q818 T822 | K741-Y820 HydrophobicContact CB-CD1 4.17Å; K741-Y820 HydrophobicContact CB-CG 4.15Å; K741-Y820 HydrophobicContact CD-CD1 3.94Å; K741-Y820 HydrophobicContact CD-CD2 4.04Å; K741-Y820 HydrophobicContact CD-CE1 3.98Å; K741-Y820 HydrophobicContact CD-CE2 4.09Å; K741-Y820 HydrophobicContact CD-CG 3.98Å; K741-Y820 HydrophobicContact CG-CD1 4.35Å; K741-Y820 HydrophobicContact CG-CD2 4.35Å; K741-Y820 HydrophobicContact CG-CG 4.1Å; K741-Y820 WeakPolarHBondContact O-CB 3.46Å; Q818-Y820 PolarHBondContact NE2-O 2.86Å; Y820-T822 HydrophobicContact CD1-CG2 3.47Å; Y820-T822 VanDerWaalsContact CD1-CG2 3.47Å; Y820-T822 HydrophobicContact CE1-CG2 3.59Å; Y820-T822 PolarHBondContact O-N 2.9Å |
| 821 | C | 84.4 | Confident | 93.4 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 79% | 0.791 | 22% | 0.218 | S | C | * | . | trans | -67.7 | 91.8 | -170.5 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | T819 | T819-C821 PolarHBondContact O-N 3.46Š| ||
| 822 | T | 85.9 | Confident | 93.5 | Very high | 39 Ų | 39 | 37 Ų | 37 | 24% | 0.239 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -138.2 | 163.7 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 108.4 | Q818 Y820 R824 R825 | Q818-T822 PolarHBondContact NE2-OG1 3.48Å; Q818-T822 VanDerWaalsContact NE2-OG1 3.17Å; Y820-T822 HydrophobicContact CD1-CG2 3.47Å; Y820-T822 VanDerWaalsContact CD1-CG2 3.47Å; Y820-T822 HydrophobicContact CE1-CG2 3.59Å; Y820-T822 PolarHBondContact O-N 2.9Å; T822-R824 PolarHBondContact O-N 3.09Å; T822-R824 PolarHBondContact OG1-N 3.31Å; T822-R825 WeakPolarHBondContact O-CB 3.43Å; T822-R825 PolarHBondContact O-N 2.64Å |
| 823 | P | 78 | Confident | 93.6 | Very high | 123 Ų | 123 | 36 Ų | 36 | 80% | 0.799 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -54.8 | -22.9 | 173.8 | -27.2 | 35.9 | 0 | 0 | 0 | 114.2 | R825 | P823-R825 VanDerWaalsContact C-N 3.31Š|
| 824 | R | 82.9 | Confident | 93.7 | Very high | 76 Ų | 76 | 34 Ų | 34 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -76.4 | -13.7 | 176.8 | -64.6 | -169.6 | -64.1 | -149.8 | 1.4 | 114.1 | F817 T822 E826 V827 | F817-R824 WeakPolarHBondContact CB-O 3.19Å; T822-R824 PolarHBondContact O-N 3.09Å; T822-R824 PolarHBondContact OG1-N 3.31Å; R824-E826 PolarHBondContact O-N 2.89Å; R824-V827 HydrophobicContact CB-CG2 4.34Å; R824-V827 WeakPolarHBondContact O-CB 3.38Å; R824-V827 VanDerWaalsContact O-CG2 3.29Å; R824-V827 WeakPolarHBondContact O-CG2 3.13Å; R824-V827 PolarHBondContact O-N 3.45Å |
| 825 | R | 89.1 | Confident | 93.7 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -51.7 | -39.5 | 177.2 | 167.8 | 165.6 | -177.6 | -101.7 | 11.1 | 112.1 | A816 F817 Q818 T822 P823 V827 | A816-R825 HydrophobicContact CB-CG 4.34Å; F817-R825 PolarHBondContact N-O 2.66Å; Q818-R825 VanDerWaalsContact O-CG 3.3Å; Q818-R825 WeakPolarHBondContact O-CG 3.4Å; T822-R825 WeakPolarHBondContact O-CB 3.43Å; T822-R825 PolarHBondContact O-N 2.64Å; P823-R825 VanDerWaalsContact C-N 3.31Å; R825-V827 VanDerWaalsContact C-N 3.27Å; R825-V827 PolarHBondContact O-N 3.33Å |
| 826 | E | 90.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -82 | -1.5 | -174.6 | -56.2 | -58.5 | 138.5 | 0 | 0 | 113.3 | Y814 R824 I828 P883 | Y814-E826 PolarHBondContact OH-O 3.13Å; R824-E826 PolarHBondContact O-N 2.89Å; E826-I828 PolarHBondContact O-N 3.46Å; E826-P883 HydrophobicContact CB-CG 3.92Å; E826-P883 WeakPolarHBondContact O-CD 3.46Å |
| 827 | V | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -61.7 | 132.3 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | W738 F817 R824 R825 M829 L882 D888 | W738-V827 HydrophobicContact CH2-CG1 4.07Å; W738-V827 HydrophobicContact CZ2-CG1 3.71Å; F817-V827 HydrophobicContact CB-CB 4.13Å; F817-V827 WeakPolarHBondContact CB-O 3.5Å; F817-V827 HydrophobicContact CG-CB 4.43Å; R824-V827 HydrophobicContact CB-CG2 4.34Å; R824-V827 WeakPolarHBondContact O-CB 3.38Å; R824-V827 VanDerWaalsContact O-CG2 3.29Å; R824-V827 WeakPolarHBondContact O-CG2 3.13Å; R824-V827 PolarHBondContact O-N 3.45Å; R825-V827 VanDerWaalsContact C-N 3.27Å; R825-V827 PolarHBondContact O-N 3.33Å; V827-M829 PolarHBondContact O-N 2.96Å; V827-L882 HydrophobicContact CG2-CD2 3.62Å; V827-D888 HydrophobicContact CG1-CB 4.16Å; V827-D888 HydrophobicContact CG2-CB 4.28Å | ||
| 828 | I | 98 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 100.8 | 171.9 | -52.7 | 160.1 | 0 | 0 | 0 | 106.9 | Y814 E826 T861 I862 C865 N866 C881 | Y814-I828 HydrophobicContact CD1-CG1 4.32Å; Y814-I828 HydrophobicContact CD2-CB 4.45Å; Y814-I828 HydrophobicContact CD2-CG1 3.93Å; Y814-I828 HydrophobicContact CD2-CG2 4.43Å; Y814-I828 HydrophobicContact CE1-CD1 4.38Å; Y814-I828 HydrophobicContact CE1-CG1 3.97Å; Y814-I828 HydrophobicContact CE2-CB 4.34Å; Y814-I828 HydrophobicContact CE2-CG1 3.53Å; Y814-I828 HydrophobicContact CG-CG1 4.3Å; E826-I828 PolarHBondContact O-N 3.46Å; I828-T861 HydrophobicContact CD1-CG2 3.94Å; I828-T861 HydrophobicContact CG1-CG2 4.44Å; I828-T861 HydrophobicContact CG2-CG2 4.32Å; I828-I862 HydrophobicContact CG2-CG1 4.07Å; I828-C865 HydrophobicContact CD1-CB 3.68Å; I828-N866 WeakPolarHBondContact CG2-OD1 3.36Å; I828-N866 PolarHBondContact O-ND2 2.61Å; I828-C881 WeakPolarHBondContact CA-O 3.37Å; I828-C881 WeakPolarHBondContact CB-O 3.35Å; I828-C881 PolarHBondContact N-O 3.47Å; I828-C881 PolarHBondContact O-N 2.92Å |
| 829 | M | 98.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.8 | 173.8 | 179.9 | 173.3 | 179.7 | 0 | 0 | 109.6 | Y735 W738 Y746 F817 V827 D831 Q832 N879 | Y735-M829 HydrophobicContact CD1-CE 4.42Å; Y735-M829 HydrophobicContact CD2-CE 3.49Å; Y735-M829 VanDerWaalsContact CD2-CE 3.49Å; Y735-M829 HydrophobicContact CE1-CE 4.06Å; Y735-M829 HydrophobicContact CE2-CE 3.08Å; Y735-M829 HydrophobicContact CG-CE 4.17Å; Y735-M829 VanDerWaalsContact CZ-CE 3.4Å; W738-M829 HydrophobicContact CH2-CB 4.2Å; W738-M829 HydrophobicContact CH2-CG 4.14Å; W738-M829 HydrophobicContact CZ3-CE 4.43Å; W738-M829 HydrophobicContact CZ3-CG 4.01Å; W738-M829 HydrophobicContact CZ3-SD 4.24Å; Y746-M829 HydrophobicContact CD1-CE 4.37Å; Y746-M829 HydrophobicContact CD2-CE 3.69Å; Y746-M829 HydrophobicContact CE2-CE 4.36Å; Y746-M829 HydrophobicContact CG-CE 3.67Å; Y746-M829 HydrophobicContact CG-SD 4.4Å; F817-M829 HydrophobicContact CD2-CB 4.16Å; F817-M829 HydrophobicContact CD2-SD 4.05Å; F817-M829 HydrophobicContact CE2-SD 3.86Å; V827-M829 PolarHBondContact O-N 2.96Å; M829-D831 HydrophobicContact CE-CB 4.1Å; M829-D831 HydrophobicContact CG-CB 4.49Å; M829-D831 PolarHBondContact O-N 3.32Å; M829-Q832 HydrophobicContact CB-CB 4.24Å; M829-Q832 VanDerWaalsContact O-CB 3.31Å; M829-Q832 WeakPolarHBondContact O-CB 3.48Å; M829-Q832 VanDerWaalsContact O-CG 3.31Å; M829-Q832 WeakPolarHBondContact O-CG 3.15Å; M829-Q832 PolarHBondContact O-N 3.46Å; M829-Q832 PolarHBondContact O-NE2 3.06Å; M829-N879 CarbonylContact C-O 3.49Å; M829-N879 WeakPolarHBondContact CA-O 3.5Å |
| 830 | A | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q832 I878 N879 V901 L905 | A830-Q832 VanDerWaalsContact C-N 3.32Å; A830-Q832 PolarHBondContact O-N 3.46Å; A830-I878 WeakPolarHBondContact CB-O 3.29Å; A830-N879 PolarHBondContact N-O 3.36Å; A830-V901 HydrophobicContact CB-CG1 3.82Å; A830-L905 HydrophobicContact CB-CD1 4Å; A830-L905 WeakPolarHBondContact O-CD2 3.19Å |
| 831 | D | 98.2 | Very high | 94 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 12.7 | -175.1 | -153 | 28.6 | 0 | 0 | 0 | 113.3 | Y600 Y735 Y746 M829 L833 S834 V901 | Y600-D831 PolarHBondContact OH-OD2 2.86Å; Y735-D831 WeakPolarHBondContact OH-CB 3.48Å; Y735-D831 PolarHBondContact OH-OD2 3.38Å; Y746-D831 HydrophobicContact CD2-CB 4.39Å; Y746-D831 WeakPolarHBondContact CD2-O 3.44Å; Y746-D831 HydrophobicContact CE2-CB 4.44Å; Y746-D831 VanDerWaalsContact CE2-OD2 3.27Å; Y746-D831 WeakPolarHBondContact CE2-OD2 3.37Å; M829-D831 HydrophobicContact CE-CB 4.1Å; M829-D831 HydrophobicContact CG-CB 4.49Å; M829-D831 PolarHBondContact O-N 3.32Å; D831-L833 PolarHBondContact O-N 3.22Å; D831-S834 WeakPolarHBondContact O-CB 3.1Å; D831-S834 PolarHBondContact O-N 3.22Å; D831-V901 HydrophobicContact CB-CG1 3.95Å; D831-V901 HydrophobicContact CB-CG2 4.1Å |
| 832 | Q | 98.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.9 | -177 | 73.2 | -174.3 | -92.8 | 0 | 0 | 114.2 | A745 Y815 M829 A830 T858 I862 | A745-Q832 HydrophobicContact CB-CB 3.85Å; Y815-Q832 PolarHBondContact O-OE1 3.11Å; M829-Q832 HydrophobicContact CB-CB 4.24Å; M829-Q832 VanDerWaalsContact O-CB 3.31Å; M829-Q832 WeakPolarHBondContact O-CB 3.48Å; M829-Q832 VanDerWaalsContact O-CG 3.31Å; M829-Q832 WeakPolarHBondContact O-CG 3.15Å; M829-Q832 PolarHBondContact O-N 3.46Å; M829-Q832 PolarHBondContact O-NE2 3.06Å; A830-Q832 VanDerWaalsContact C-N 3.32Å; A830-Q832 PolarHBondContact O-N 3.46Å; Q832-T858 HydrophobicContact CG-CG2 3.85Å; Q832-I862 HydrophobicContact CG-CD1 4.15Å |
| 833 | L | 98.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 16.5 | 177.9 | -62.2 | -178.6 | 0 | 0 | 0 | 112.8 | Y815 D831 G835 Y836 W837 L850 V855 T858 L859 L908 | Y815-L833 HydrophobicContact CD2-CD2 4.08Å; Y815-L833 HydrophobicContact CE2-CD2 4.16Å; D831-L833 PolarHBondContact O-N 3.22Å; L833-G835 VanDerWaalsContact C-N 3.33Å; L833-G835 PolarHBondContact O-N 3.03Å; L833-Y836 CarbonylContact O-C 3.29Å; L833-Y836 PolarHBondContact O-N 3.14Å; L833-Y836 VanDerWaalsContact O-N 3.1Å; L833-W837 WeakPolarHBondContact O-CB 3.25Å; L833-W837 PolarHBondContact O-N 3.08Å; L833-L850 HydrophobicContact CD2-CD1 3.98Å; L833-V855 HydrophobicContact CD1-CG1 4.19Å; L833-T858 HydrophobicContact CD1-CG2 3.74Å; L833-T858 HydrophobicContact CD2-CG2 4.15Å; L833-T858 HydrophobicContact CG-CG2 3.89Å; L833-L859 HydrophobicContact CD1-CD2 4.04Å; L833-L859 HydrophobicContact CD1-CG 4.1Å; L833-L908 HydrophobicContact CB-CD2 3.81Å; L833-L908 HydrophobicContact CD1-CD2 3.92Å |
| 834 | S | 98.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.007 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -56.2 | -42.1 | -174.1 | -171.5 | 0 | 0 | 0 | 0 | 113.4 | M750 D831 W837 F838 | M750-S834 VanDerWaalsContact CE-OG 3.28Å; M750-S834 WeakPolarHBondContact CE-OG 3.38Å; D831-S834 WeakPolarHBondContact O-CB 3.1Å; D831-S834 PolarHBondContact O-N 3.22Å; S834-W837 WeakPolarHBondContact O-CB 3.41Å; S834-W837 PolarHBondContact O-N 2.84Å; S834-F838 PolarHBondContact O-N 3.29Å; S834-F838 VanDerWaalsContact O-N 3.07Å |
| 835 | G | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S753 L833 W837 F838 S839 | S753-G835 PolarHBondContact OG-O 3.48Å; L833-G835 VanDerWaalsContact C-N 3.33Å; L833-G835 PolarHBondContact O-N 3.03Å; G835-W837 VanDerWaalsContact C-N 3.34Å; G835-W837 PolarHBondContact O-N 2.9Å; G835-F838 PolarHBondContact O-N 2.84Å; G835-S839 PolarHBondContact O-N 2.85Å; G835-S839 PolarHBondContact O-OG 2.97Å |
| 836 | Y | 98.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.9 | -178.2 | -87.7 | 0 | 0 | 0 | 111.4 | S753 L833 F838 S839 R840 I849 L850 V855 L908 E912 | S753-Y836 PolarHBondContact OG-N 3.1Å; L833-Y836 CarbonylContact O-C 3.29Å; L833-Y836 PolarHBondContact O-N 3.14Å; L833-Y836 VanDerWaalsContact O-N 3.1Å; Y836-F838 PolarHBondContact O-N 2.73Å; Y836-S839 PolarHBondContact O-N 3.18Å; Y836-R840 HydrophobicContact CD1-CB 4.14Å; Y836-R840 HydrophobicContact CE1-CB 3.85Å; Y836-R840 HydrophobicContact CE1-CG 3.91Å; Y836-R840 WeakPolarHBondContact O-CB 3.24Å; Y836-R840 PolarHBondContact O-N 3.13Å; Y836-I849 HydrophobicContact CD2-CB 3.96Å; Y836-I849 HydrophobicContact CD2-CG2 4.31Å; Y836-I849 HydrophobicContact CE2-CB 4.35Å; Y836-L850 HydrophobicContact CD2-CB 3.89Å; Y836-L850 HydrophobicContact CD2-CD1 4.04Å; Y836-L850 HydrophobicContact CD2-CG 4.01Å; Y836-L850 HydrophobicContact CE2-CB 4.13Å; Y836-L850 HydrophobicContact CG-CD1 4.27Å; Y836-V855 HydrophobicContact CD1-CG1 4.01Å; Y836-V855 HydrophobicContact CD1-CG2 4.12Å; Y836-V855 HydrophobicContact CD2-CG2 4.03Å; Y836-V855 HydrophobicContact CE1-CB 4.31Å; Y836-V855 HydrophobicContact CE1-CG1 3.56Å; Y836-V855 HydrophobicContact CE1-CG2 3.87Å; Y836-V855 HydrophobicContact CE2-CG2 3.75Å; Y836-V855 HydrophobicContact CG-CG2 4.21Å; Y836-L908 HydrophobicContact CD1-CD1 3.79Å; Y836-L908 HydrophobicContact CD1-CD2 4.3Å; Y836-L908 HydrophobicContact CE1-CD1 3.81Å; Y836-E912 WeakPolarHBondContact CE1-OE1 3.32Å; Y836-E912 PolarHBondContact OH-OE1 2.98Å |
| 837 | W | 98.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 1% | 0.011 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -50.4 | -57.1 | 173.8 | 159.7 | 64.1 | 0 | 0 | 0 | 110.6 | H599 Y600 W603 L833 S834 G835 S839 R840 I841 S904 S907 L908 | H599-W837 AromaticContact CD2-CZ3 3.86Å; H599-W837 AromaticContact NE2-CZ3 3.54Å; Y600-W837 AromaticContact CD1-CH2 3.65Å; Y600-W837 HydrophobicContact CD1-CH2 3.65Å; Y600-W837 AromaticContact CD1-CZ3 3.58Å; Y600-W837 HydrophobicContact CD1-CZ3 3.58Å; Y600-W837 HydrophobicContact CE1-CH2 4.36Å; Y600-W837 AromaticContact CE1-CZ3 3.83Å; Y600-W837 HydrophobicContact CE1-CZ3 3.83Å; Y600-W837 HydrophobicContact CG-CH2 4.37Å; Y600-W837 HydrophobicContact CG-CZ3 4.46Å; W603-W837 AromaticContact CD1-CH2 3.97Å; W603-W837 AromaticContact CD1-CZ2 3.9Å; W603-W837 AromaticContact NE1-CH2 3.64Å; W603-W837 AromaticContact NE1-CZ2 3.53Å; L833-W837 WeakPolarHBondContact O-CB 3.25Å; L833-W837 PolarHBondContact O-N 3.08Å; S834-W837 WeakPolarHBondContact O-CB 3.41Å; S834-W837 PolarHBondContact O-N 2.84Å; G835-W837 VanDerWaalsContact C-N 3.34Å; G835-W837 PolarHBondContact O-N 2.9Å; W837-S839 VanDerWaalsContact C-N 3.33Å; W837-S839 PolarHBondContact O-N 3Å; W837-R840 PolarHBondContact O-N 3.39Å; W837-R840 VanDerWaalsContact O-N 3.15Å; W837-I841 HydrophobicContact CZ2-CD1 3.93Å; W837-I841 VanDerWaalsContact NE1-CD1 3.31Å; W837-I841 WeakPolarHBondContact O-CG1 3.27Å; W837-I841 PolarHBondContact O-N 2.64Å; W837-S904 VanDerWaalsContact CE2-CB 3.46Å; W837-S904 PolarHBondContact NE1-O 2.97Å; W837-S907 PolarHBondContact NE1-OG 3.41Å; W837-L908 HydrophobicContact CB-CB 4.32Å; W837-L908 HydrophobicContact CB-CD2 4.03Å; W837-L908 HydrophobicContact CG-CB 4.45Å |
| 838 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | -175.9 | -161 | -80.9 | 0 | 0 | 0 | 112.1 | H599 W603 L684 Q685 W687 R688 S834 G835 Y836 T842 | H599-F838 AromaticContact CE1-CD2 3.04Å; H599-F838 WeakPolarHBondContact CE1-CD2 3.32Å; H599-F838 AromaticContact CE1-CE2 3.48Å; H599-F838 VanDerWaalsContact CE1-CE2 3.48Å; H599-F838 WeakPolarHBondContact CE1-CE2 3.29Å; H599-F838 AromaticContact CE1-CG 3.61Å; H599-F838 AromaticContact ND1-CD2 3.63Å; H599-F838 AromaticContact ND1-CE2 3.55Å; H599-F838 AromaticContact NE2-CD2 3.53Å; W603-F838 HydrophobicContact CZ2-CE2 4.39Å; L684-F838 HydrophobicContact CB-CD1 3.82Å; L684-F838 HydrophobicContact CB-CE1 3.77Å; L684-F838 HydrophobicContact CB-CZ 4.42Å; L684-F838 HydrophobicContact CD1-CD1 4.45Å; L684-F838 HydrophobicContact CD2-CD1 4.41Å; L684-F838 HydrophobicContact CG-CD1 4.46Å; L684-F838 VanDerWaalsContact O-CE1 3.26Å; L684-F838 WeakPolarHBondContact O-CE1 3.48Å; Q685-F838 HydrophobicContact CG-CE2 4.29Å; Q685-F838 HydrophobicContact CG-CZ 3.84Å; W687-F838 HydrophobicContact CZ3-CD1 4.46Å; R688-F838 HydrophobicContact CB-CE1 3.59Å; R688-F838 HydrophobicContact CB-CZ 3.93Å; R688-F838 HydrophobicContact CG-CE1 4.29Å; R688-F838 HydrophobicContact CG-CZ 4.35Å; S834-F838 PolarHBondContact O-N 3.29Å; S834-F838 VanDerWaalsContact O-N 3.07Å; G835-F838 PolarHBondContact O-N 2.84Å; Y836-F838 PolarHBondContact O-N 2.73Å; F838-T842 WeakPolarHBondContact O-CB 3.3Å; F838-T842 PolarHBondContact O-N 3.5Å; F838-T842 PolarHBondContact O-OG1 2.95Å |
| 839 | S | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | S753 G835 Y836 W837 T842 G843 V844 | S753-S839 WeakPolarHBondContact CB-OG 3.44Å; S753-S839 PolarHBondContact OG-OG 3.2Å; G835-S839 PolarHBondContact O-N 2.85Å; G835-S839 PolarHBondContact O-OG 2.97Å; Y836-S839 PolarHBondContact O-N 3.18Å; W837-S839 VanDerWaalsContact C-N 3.33Å; W837-S839 PolarHBondContact O-N 3Å; S839-T842 PolarHBondContact O-N 3.03Å; S839-G843 PolarHBondContact O-N 3.48Å; S839-V844 WeakPolarHBondContact O-CB 3.36Å; S839-V844 WeakPolarHBondContact O-CG2 3.19Å; S839-V844 PolarHBondContact O-N 3.38Å |
| 840 | R | 94.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 12.3 Ų | 12.3 | 5% | 0.049 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | -173.6 | -177.2 | 67.3 | -173.1 | 87.8 | 6.3 | 111.9 | Y836 W837 T842 G843 V844 L908 A911 E912 | Y836-R840 HydrophobicContact CD1-CB 4.14Å; Y836-R840 HydrophobicContact CE1-CB 3.85Å; Y836-R840 HydrophobicContact CE1-CG 3.91Å; Y836-R840 WeakPolarHBondContact O-CB 3.24Å; Y836-R840 PolarHBondContact O-N 3.13Å; W837-R840 PolarHBondContact O-N 3.39Å; W837-R840 VanDerWaalsContact O-N 3.15Å; R840-T842 VanDerWaalsContact C-N 3.34Å; R840-G843 PolarHBondContact O-N 3.49Å; R840-V844 PolarHBondContact NH1-O 2.92Å; R840-L908 HydrophobicContact CB-CD1 4.27Å; R840-L908 HydrophobicContact CG-CD1 4.13Å; R840-A911 HydrophobicContact CG-CB 4.08Å; R840-A911 PolarHBondContact NH2-O 2.85Å; R840-E912 WeakPolarHBondContact CD-OE1 3.43Å; R840-E912 IonicContact NE-OE1 3.86Å; R840-E912 PolarHBondContact NE-OE1 3.15Å |
| 841 | I | 94.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -79.1 | -18.3 | -178.5 | 67.9 | 166.5 | 0 | 0 | 0 | 113.5 | W603 W837 A911 Q965 A966 | W603-I841 HydrophobicContact CD2-CD1 4.14Å; W603-I841 HydrophobicContact CH2-CD1 3.82Å; W603-I841 HydrophobicContact CH2-CG1 3.8Å; W603-I841 HydrophobicContact CZ2-CD1 3.21Å; W603-I841 HydrophobicContact CZ2-CG1 3.44Å; W603-I841 VanDerWaalsContact CZ2-CG1 3.44Å; W603-I841 HydrophobicContact CZ3-CD1 4.49Å; W837-I841 HydrophobicContact CZ2-CD1 3.93Å; W837-I841 VanDerWaalsContact NE1-CD1 3.31Å; W837-I841 WeakPolarHBondContact O-CG1 3.27Å; W837-I841 PolarHBondContact O-N 2.64Å; I841-A911 HydrophobicContact CG2-CB 3.99Å; I841-Q965 HydrophobicContact CB-CG 4.29Å; I841-Q965 WeakPolarHBondContact O-CG 3.29Å; I841-Q965 PolarHBondContact O-NE2 3.39Å; I841-A966 HydrophobicContact CG2-CB 4.26Å |
| 842 | T | 94.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.7 | -15.4 | 167.9 | -56.2 | 0 | 0 | 0 | 0 | 112 | W687 R688 R691 F838 S839 R840 | W687-T842 HydrophobicContact CD2-CG2 4.37Å; W687-T842 HydrophobicContact CE3-CG2 3.92Å; W687-T842 VanDerWaalsContact CH2-CB 3.43Å; W687-T842 HydrophobicContact CH2-CG2 3.34Å; W687-T842 HydrophobicContact CZ2-CG2 3.86Å; W687-T842 VanDerWaalsContact CZ3-CB 3.43Å; W687-T842 HydrophobicContact CZ3-CG2 3.38Å; R688-T842 HydrophobicContact CB-CG2 3.96Å; R688-T842 HydrophobicContact CG-CG2 4.04Å; R691-T842 HydrophobicContact CB-CG2 4.07Å; R691-T842 HydrophobicContact CG-CG2 4.39Å; F838-T842 WeakPolarHBondContact O-CB 3.3Å; F838-T842 PolarHBondContact O-N 3.5Å; F838-T842 PolarHBondContact O-OG1 2.95Å; S839-T842 PolarHBondContact O-N 3.03Å; R840-T842 VanDerWaalsContact C-N 3.34Å |
| 843 | G | 89.3 | Confident | 94.6 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 124.3 | 9.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S839 R840 F985 | S839-G843 PolarHBondContact O-N 3.48Å; R840-G843 PolarHBondContact O-N 3.49Å; G843-F985 WeakPolarHBondContact O-CE2 3.32Å |
| 844 | V | 91.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 131.8 | 179.7 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | W687 Y756 S839 R840 L848 I849 | W687-V844 HydrophobicContact CH2-CG2 3.53Å; W687-V844 HydrophobicContact CZ2-CG2 3.71Å; Y756-V844 HydrophobicContact CD1-CG2 3.96Å; Y756-V844 HydrophobicContact CE1-CB 4.37Å; Y756-V844 HydrophobicContact CE1-CG1 4.22Å; Y756-V844 HydrophobicContact CE1-CG2 3.21Å; S839-V844 WeakPolarHBondContact O-CB 3.36Å; S839-V844 WeakPolarHBondContact O-CG2 3.19Å; S839-V844 PolarHBondContact O-N 3.38Å; R840-V844 PolarHBondContact NH1-O 2.92Å; V844-L848 HydrophobicContact CG1-CB 3.86Å; V844-L848 HydrophobicContact CG1-CD2 3.73Å; V844-L848 HydrophobicContact CG1-CG 4.29Å; V844-I849 HydrophobicContact CG1-CD1 4.27Å; V844-I849 HydrophobicContact CG1-CG1 3.89Å |
| 845 | P | 88.9 | Confident | 94.5 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 25% | 0.253 | 13% | 0.128 | S | C | . | . | P | Polyproline II helix | trans | -57.3 | 146.6 | 174.8 | -28.4 | 35.7 | 0 | 0 | 0 | 113.4 | L848 F981 | P845-L848 WeakPolarHBondContact O-CB 3.46Å; P845-L848 PolarHBondContact O-N 3.35Å; P845-F981 HydrophobicContact CB-CD1 3.79Å; P845-F981 HydrophobicContact CB-CE1 3.96Å; P845-F981 HydrophobicContact CG-CD1 4.14Å; P845-F981 HydrophobicContact CG-CE1 4.48Å |
| 846 | P | 87.4 | Confident | 94.5 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 14% | 0.143 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 150.9 | 170.5 | -20.9 | 31.3 | 0 | 0 | 0 | 111.8 | L848 K852 F981 | P846-L848 PolarHBondContact O-N 2.89Å; P846-K852 HydrophobicContact CB-CB 4.44Å; P846-K852 HydrophobicContact CB-CD 3.98Å; P846-K852 HydrophobicContact CB-CG 4.39Å; P846-F981 HydrophobicContact CG-CE1 4.35Å; P846-F981 HydrophobicContact CG-CZ 4.18Å |
| 847 | N | 91.1 | Very high | 94.5 | Very high | 93 Ų | 93 | 29.6 Ų | 29.6 | 50% | 0.497 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -11.9 | -176.4 | -53.5 | -66.8 | 0 | 0 | 0 | 116.8 | L850 K852 | N847-L850 CarbonylContact C-O 3.58Å; N847-L850 WeakPolarHBondContact CA-O 3.34Å; N847-K852 WeakPolarHBondContact OD1-CB 3.41Å; N847-K852 PolarHBondContact OD1-N 2.93Å |
| 848 | L | 91.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 31% | 0.314 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -70.6 | -49 | -174.4 | -169.7 | 60.9 | 0 | 0 | 0 | 112.4 | Y756 V844 P845 P846 | Y756-L848 HydrophobicContact CD2-CD2 3.97Å; Y756-L848 HydrophobicContact CD2-CG 4.32Å; Y756-L848 HydrophobicContact CE1-CD2 4.48Å; Y756-L848 HydrophobicContact CE2-CD2 3.2Å; Y756-L848 HydrophobicContact CE2-CG 4.01Å; Y756-L848 VanDerWaalsContact CZ-CD2 3.49Å; V844-L848 HydrophobicContact CG1-CB 3.86Å; V844-L848 HydrophobicContact CG1-CD2 3.73Å; V844-L848 HydrophobicContact CG1-CG 4.29Å; P845-L848 WeakPolarHBondContact O-CB 3.46Å; P845-L848 PolarHBondContact O-N 3.35Å; P846-L848 PolarHBondContact O-N 2.89Å |
| 849 | I | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -85.1 | -55.1 | 179 | -51.4 | -57.1 | 0 | 0 | 0 | 110.6 | L752 Y756 F798 R802 Y836 V844 | L752-I849 HydrophobicContact CD2-CG2 3.76Å; L752-I849 HydrophobicContact CG-CG2 3.88Å; Y756-I849 HydrophobicContact CD1-CD1 3.68Å; Y756-I849 HydrophobicContact CD2-CD1 3.97Å; Y756-I849 HydrophobicContact CG-CD1 3.34Å; F798-I849 HydrophobicContact CE2-CD1 4Å; F798-I849 HydrophobicContact CZ-CD1 4.01Å; R802-I849 WeakPolarHBondContact CD-O 3.07Å; R802-I849 WeakPolarHBondContact CG-O 3.47Å; Y836-I849 HydrophobicContact CD2-CB 3.96Å; Y836-I849 HydrophobicContact CD2-CG2 4.31Å; Y836-I849 HydrophobicContact CE2-CB 4.35Å; V844-I849 HydrophobicContact CG1-CD1 4.27Å; V844-I849 HydrophobicContact CG1-CG1 3.89Å |
| 850 | L | 97.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -130.4 | 148.7 | 179.4 | -63.3 | 177.6 | 0 | 0 | 0 | 110 | L752 Y805 Y815 L833 Y836 N847 K852 V855 | L752-L850 HydrophobicContact CD2-CD2 3.75Å; Y805-L850 HydrophobicContact CD1-CD2 3.76Å; Y805-L850 HydrophobicContact CE1-CD1 4.48Å; Y805-L850 HydrophobicContact CE1-CD2 3.72Å; Y815-L850 HydrophobicContact CE2-CD1 3.97Å; L833-L850 HydrophobicContact CD2-CD1 3.98Å; Y836-L850 HydrophobicContact CD2-CB 3.89Å; Y836-L850 HydrophobicContact CD2-CD1 4.04Å; Y836-L850 HydrophobicContact CD2-CG 4.01Å; Y836-L850 HydrophobicContact CE2-CB 4.13Å; Y836-L850 HydrophobicContact CG-CD1 4.27Å; N847-L850 CarbonylContact C-O 3.58Å; N847-L850 WeakPolarHBondContact CA-O 3.34Å; L850-K852 PolarHBondContact O-N 3.35Å; L850-V855 HydrophobicContact CB-CG2 3.81Å; L850-V855 HydrophobicContact CD1-CG2 4.35Å |
| 851 | P | 95.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | trans | -55.8 | 129.2 | 173.5 | -23.9 | 34.1 | 0 | 0 | 0 | 111.3 | N806 N853 H854 V855 | N806-P851 WeakPolarHBondContact OD1-CD 3.36Å; P851-N853 VanDerWaalsContact C-N 3.28Å; P851-N853 WeakPolarHBondContact CB-OD1 3.4Å; P851-N853 PolarHBondContact O-N 3.36Å; P851-H854 HydrophobicContact CB-CB 4.27Å; P851-H854 WeakPolarHBondContact O-CA 3.5Å; P851-H854 WeakPolarHBondContact O-CB 3.24Å; P851-H854 PolarHBondContact O-N 2.99Å; P851-V855 PolarHBondContact O-N 3.26Å; P851-V855 VanDerWaalsContact O-N 3.1Å | ||
| 852 | K | 93.4 | Very high | 95 | Very high | 86 Ų | 86 | 34.4 Ų | 34.4 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.3 | -40.3 | -175.5 | -178.7 | 178.6 | -175.6 | 176.4 | 0 | 112 | P846 N847 L850 H854 V855 V856 | P846-K852 HydrophobicContact CB-CB 4.44Å; P846-K852 HydrophobicContact CB-CD 3.98Å; P846-K852 HydrophobicContact CB-CG 4.39Å; N847-K852 WeakPolarHBondContact OD1-CB 3.41Å; N847-K852 PolarHBondContact OD1-N 2.93Å; L850-K852 PolarHBondContact O-N 3.35Å; K852-H854 VanDerWaalsContact C-N 3.27Å; K852-H854 PolarHBondContact O-N 3.22Å; K852-V855 PolarHBondContact O-N 3.43Å; K852-V856 HydrophobicContact CG-CG2 4.28Å; K852-V856 WeakPolarHBondContact O-CG2 3.4Å; K852-V856 PolarHBondContact O-N 3.39Å |
| 853 | N | 95.6 | Very high | 95.2 | Very high | 103 Ų | 103 | 34.8 Ų | 34.8 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.6 | -35.2 | 176.3 | 64.6 | -46.3 | 0 | 0 | 0 | 112.2 | P851 K857 | P851-N853 VanDerWaalsContact C-N 3.28Å; P851-N853 WeakPolarHBondContact CB-OD1 3.4Å; P851-N853 PolarHBondContact O-N 3.36Å; N853-K857 VanDerWaalsContact O-CB 3.23Å; N853-K857 WeakPolarHBondContact O-CB 3.47Å; N853-K857 PolarHBondContact O-N 2.79Å |
| 854 | H | 98.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.6 | -44.3 | 175.2 | -65.5 | -173 | 0 | 0 | 0 | 110.8 | N806 W810 Y815 P851 K852 K857 T858 | N806-H854 PolarHBondContact OD1-ND1 3.07Å; W810-H854 AromaticContact CD1-CE1 3.65Å; W810-H854 AromaticContact CD1-NE2 3.92Å; W810-H854 HydrophobicContact CD2-CB 4.43Å; W810-H854 AromaticContact CD2-CE1 3.87Å; W810-H854 AromaticContact CD2-CG 3.88Å; W810-H854 AromaticContact CD2-ND1 3.68Å; W810-H854 AromaticContact CE2-CD2 3.53Å; W810-H854 AromaticContact CE2-CE1 3.75Å; W810-H854 AromaticContact CE2-CG 3.7Å; W810-H854 AromaticContact CE2-ND1 3.84Å; W810-H854 AromaticContact CE2-NE2 3.59Å; W810-H854 HydrophobicContact CE3-CB 4.07Å; W810-H854 AromaticContact CG-CE1 3.83Å; W810-H854 AromaticContact CG-ND1 3.97Å; W810-H854 HydrophobicContact CH2-CB 3.75Å; W810-H854 AromaticContact CH2-CG 3.91Å; W810-H854 HydrophobicContact CZ2-CB 4.1Å; W810-H854 AromaticContact CZ2-CD2 3.48Å; W810-H854 VanDerWaalsContact CZ2-CD2 3.48Å; W810-H854 WeakPolarHBondContact CZ2-CD2 3.21Å; W810-H854 AromaticContact CZ2-CG 3.74Å; W810-H854 AromaticContact CZ2-NE2 3.99Å; W810-H854 HydrophobicContact CZ3-CB 3.71Å; W810-H854 AromaticContact NE1-CD2 3.81Å; W810-H854 AromaticContact NE1-CE1 3.56Å; W810-H854 AromaticContact NE1-NE2 3.36Å; W810-H854 PolarHBondContact NE1-NE2 2.9Å; Y815-H854 HydrophobicContact CE2-CB 4.25Å; Y815-H854 VanDerWaalsContact OH-CB 3.3Å; Y815-H854 WeakPolarHBondContact OH-CB 3.4Å; Y815-H854 PolarHBondContact OH-ND1 3.1Å; P851-H854 HydrophobicContact CB-CB 4.27Å; P851-H854 WeakPolarHBondContact O-CA 3.5Å; P851-H854 WeakPolarHBondContact O-CB 3.24Å; P851-H854 PolarHBondContact O-N 2.99Å; K852-H854 VanDerWaalsContact C-N 3.27Å; K852-H854 PolarHBondContact O-N 3.22Å; H854-K857 PolarHBondContact O-N 3.35Å; H854-T858 VanDerWaalsContact O-CB 3.27Å; H854-T858 WeakPolarHBondContact O-CB 3.43Å; H854-T858 PolarHBondContact O-N 2.9Å; H854-T858 PolarHBondContact O-OG1 3.34Å |
| 855 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -53.3 | 177.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | L833 Y836 L850 P851 K852 K857 T858 L859 E912 | L833-V855 HydrophobicContact CD1-CG1 4.19Å; Y836-V855 HydrophobicContact CD1-CG1 4.01Å; Y836-V855 HydrophobicContact CD1-CG2 4.12Å; Y836-V855 HydrophobicContact CD2-CG2 4.03Å; Y836-V855 HydrophobicContact CE1-CB 4.31Å; Y836-V855 HydrophobicContact CE1-CG1 3.56Å; Y836-V855 HydrophobicContact CE1-CG2 3.87Å; Y836-V855 HydrophobicContact CE2-CG2 3.75Å; Y836-V855 HydrophobicContact CG-CG2 4.21Å; L850-V855 HydrophobicContact CB-CG2 3.81Å; L850-V855 HydrophobicContact CD1-CG2 4.35Å; P851-V855 PolarHBondContact O-N 3.26Å; P851-V855 VanDerWaalsContact O-N 3.1Å; K852-V855 PolarHBondContact O-N 3.43Å; V855-K857 PolarHBondContact O-N 2.85Å; V855-T858 WeakPolarHBondContact O-CB 3.34Å; V855-T858 PolarHBondContact O-N 3.18Å; V855-L859 HydrophobicContact CG1-CD1 4.14Å; V855-L859 WeakPolarHBondContact O-CG 3.45Å; V855-L859 PolarHBondContact O-N 3.48Å; V855-E912 HydrophobicContact CG1-CG 4Å |
| 856 | V | 97 | Very high | 96.4 | Very high | 36 Ų | 36 | 38 Ų | 38 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | -179.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | K852 T858 L859 Q860 | K852-V856 HydrophobicContact CG-CG2 4.28Å; K852-V856 WeakPolarHBondContact O-CG2 3.4Å; K852-V856 PolarHBondContact O-N 3.39Å; V856-T858 VanDerWaalsContact C-N 3.31Å; V856-T858 PolarHBondContact O-N 3.33Å; V856-L859 PolarHBondContact O-N 2.91Å; V856-Q860 VanDerWaalsContact O-CG 3.3Å; V856-Q860 WeakPolarHBondContact O-CG 3.41Å; V856-Q860 PolarHBondContact O-N 3.37Å |
| 857 | K | 98.3 | Very high | 96.9 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.2 | -32.7 | 178.8 | -165.5 | 171.7 | -176.7 | -174.8 | 0 | 112.7 | W810 G812 S813 N853 H854 V855 T861 | W810-K857 HydrophobicContact CH2-CB 4.25Å; W810-K857 HydrophobicContact CH2-CD 4.44Å; W810-K857 HydrophobicContact CZ2-CD 4.42Å; G812-K857 WeakPolarHBondContact O-CD 3.24Å; G812-K857 WeakPolarHBondContact O-CE 3.43Å; G812-K857 PolarHBondContact O-NZ 3.46Å; S813-K857 CarbonylContact O-C 3.2Å; S813-K857 WeakPolarHBondContact OG-CE 3.49Å; N853-K857 VanDerWaalsContact O-CB 3.23Å; N853-K857 WeakPolarHBondContact O-CB 3.47Å; N853-K857 PolarHBondContact O-N 2.79Å; H854-K857 PolarHBondContact O-N 3.35Å; V855-K857 PolarHBondContact O-N 2.85Å; K857-T861 WeakPolarHBondContact O-CB 3.26Å; K857-T861 PolarHBondContact O-N 3.02Å; K857-T861 PolarHBondContact O-OG1 2.8Å |
| 858 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 172.4 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | S813 Q832 L833 H854 V855 V856 Q860 T861 I862 | S813-T858 WeakPolarHBondContact O-CA 3.5Å; S813-T858 PolarHBondContact O-N 2.71Å; Q832-T858 HydrophobicContact CG-CG2 3.85Å; L833-T858 HydrophobicContact CD1-CG2 3.74Å; L833-T858 HydrophobicContact CD2-CG2 4.15Å; L833-T858 HydrophobicContact CG-CG2 3.89Å; H854-T858 VanDerWaalsContact O-CB 3.27Å; H854-T858 WeakPolarHBondContact O-CB 3.43Å; H854-T858 PolarHBondContact O-N 2.9Å; H854-T858 PolarHBondContact O-OG1 3.34Å; V855-T858 WeakPolarHBondContact O-CB 3.34Å; V855-T858 PolarHBondContact O-N 3.18Å; V856-T858 VanDerWaalsContact C-N 3.31Å; V856-T858 PolarHBondContact O-N 3.33Å; T858-Q860 VanDerWaalsContact C-N 3.33Å; T858-Q860 PolarHBondContact O-N 3.12Å; T858-T861 WeakPolarHBondContact O-CB 3.44Å; T858-T861 PolarHBondContact O-N 3.16Å; T858-T861 VanDerWaalsContact O-N 3.09Å; T858-I862 HydrophobicContact CG2-CD1 3.86Å; T858-I862 HydrophobicContact CG2-CG1 4.47Å; T858-I862 WeakPolarHBondContact O-CG1 3.3Å; T858-I862 PolarHBondContact O-N 3.07Å |
| 859 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.6 | -69.9 | 172.8 | 0 | 0 | 0 | 111.9 | L833 V855 V856 T861 I862 S863 L905 L908 M909 E912 M914 | L833-L859 HydrophobicContact CD1-CD2 4.04Å; L833-L859 HydrophobicContact CD1-CG 4.1Å; V855-L859 HydrophobicContact CG1-CD1 4.14Å; V855-L859 WeakPolarHBondContact O-CG 3.45Å; V855-L859 PolarHBondContact O-N 3.48Å; V856-L859 PolarHBondContact O-N 2.91Å; L859-T861 VanDerWaalsContact C-N 3.34Å; L859-I862 PolarHBondContact O-N 3.23Å; L859-S863 VanDerWaalsContact O-CB 3.28Å; L859-S863 WeakPolarHBondContact O-CB 3.41Å; L859-S863 PolarHBondContact O-N 3.47Å; L859-L905 HydrophobicContact CD2-CD2 4.02Å; L859-L908 HydrophobicContact CD1-CG 4.2Å; L859-L908 HydrophobicContact CD2-CD2 3.93Å; L859-L908 HydrophobicContact CD2-CG 4.16Å; L859-M909 HydrophobicContact CD1-CG 4.42Å; L859-M909 HydrophobicContact CD2-CE 4.49Å; L859-M909 HydrophobicContact CD2-CG 4.19Å; L859-E912 HydrophobicContact CD1-CB 4.21Å; L859-E912 HydrophobicContact CD1-CG 4.16Å; L859-M914 HydrophobicContact CB-SD 4.09Å; L859-M914 HydrophobicContact CD1-SD 4.2Å |
| 860 | Q | 98.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 36.1 Ų | 36.1 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -42 | 172.8 | -72.5 | 170.8 | -13.5 | 0 | 0 | 111.6 | V856 T858 S863 N864 | V856-Q860 VanDerWaalsContact O-CG 3.3Å; V856-Q860 WeakPolarHBondContact O-CG 3.41Å; V856-Q860 PolarHBondContact O-N 3.37Å; T858-Q860 VanDerWaalsContact C-N 3.33Å; T858-Q860 PolarHBondContact O-N 3.12Å; Q860-S863 PolarHBondContact O-N 2.78Å; Q860-N864 WeakPolarHBondContact O-CB 3.4Å; Q860-N864 PolarHBondContact O-N 3.22Å; Q860-N864 PolarHBondContact O-ND2 3.44Å |
| 861 | T | 98.5 | Very high | 97.4 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | S813 Y814 I828 K857 T858 L859 N864 C865 | S813-T861 PolarHBondContact O-OG1 2.69Å; Y814-T861 HydrophobicContact CD1-CG2 3.75Å; Y814-T861 HydrophobicContact CE1-CG2 4.44Å; Y814-T861 HydrophobicContact CG-CG2 4.19Å; I828-T861 HydrophobicContact CD1-CG2 3.94Å; I828-T861 HydrophobicContact CG1-CG2 4.44Å; I828-T861 HydrophobicContact CG2-CG2 4.32Å; K857-T861 WeakPolarHBondContact O-CB 3.26Å; K857-T861 PolarHBondContact O-N 3.02Å; K857-T861 PolarHBondContact O-OG1 2.8Å; T858-T861 WeakPolarHBondContact O-CB 3.44Å; T858-T861 PolarHBondContact O-N 3.16Å; T858-T861 VanDerWaalsContact O-N 3.09Å; L859-T861 VanDerWaalsContact C-N 3.34Å; T861-N864 PolarHBondContact O-N 3.27Å; T861-C865 VanDerWaalsContact O-CB 3.31Å; T861-C865 WeakPolarHBondContact O-CB 3.34Å; T861-C865 PolarHBondContact O-N 3.43Å; T861-C865 PolarHBondContact O-SG 3.03Å |
| 862 | I | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.6 | -68 | 165.1 | 0 | 0 | 0 | 110.3 | I828 Q832 T858 L859 N864 C865 N866 W867 L905 | I828-I862 HydrophobicContact CG2-CG1 4.07Å; Q832-I862 HydrophobicContact CG-CD1 4.15Å; T858-I862 HydrophobicContact CG2-CD1 3.86Å; T858-I862 HydrophobicContact CG2-CG1 4.47Å; T858-I862 WeakPolarHBondContact O-CG1 3.3Å; T858-I862 PolarHBondContact O-N 3.07Å; L859-I862 PolarHBondContact O-N 3.23Å; I862-N864 VanDerWaalsContact C-N 3.33Å; I862-N864 PolarHBondContact O-N 3.32Å; I862-C865 PolarHBondContact O-N 3.29Å; I862-N866 HydrophobicContact CG2-CB 4.07Å; I862-N866 WeakPolarHBondContact O-CA 3.39Å; I862-N866 WeakPolarHBondContact O-CB 3.44Å; I862-N866 PolarHBondContact O-N 3.14Å; I862-W867 PolarHBondContact O-N 2.91Å; I862-L905 HydrophobicContact CD1-CD2 4.25Å; I862-L905 HydrophobicContact CG2-CD1 3.88Å; I862-L905 HydrophobicContact CG2-CD2 4.32Å |
| 863 | S | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -57.3 | -47 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L859 Q860 W867 H868 | L859-S863 VanDerWaalsContact O-CB 3.28Å; L859-S863 WeakPolarHBondContact O-CB 3.41Å; L859-S863 PolarHBondContact O-N 3.47Å; Q860-S863 PolarHBondContact O-N 2.78Å; S863-W867 WeakPolarHBondContact O-CB 3.31Å; S863-H868 PolarHBondContact O-CD2 2.91Å; S863-H868 PolarHBondContact O-N 3.19Å; S863-H868 PolarHBondContact OG-CD2 3.41Å |
| 864 | N | 97.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 41.9 Ų | 41.9 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -68.2 | -45.7 | 179.2 | -69.4 | -22.8 | 0 | 0 | 0 | 112.6 | Q860 T861 I862 G869 | Q860-N864 WeakPolarHBondContact O-CB 3.4Å; Q860-N864 PolarHBondContact O-N 3.22Å; Q860-N864 PolarHBondContact O-ND2 3.44Å; T861-N864 PolarHBondContact O-N 3.27Å; I862-N864 VanDerWaalsContact C-N 3.33Å; I862-N864 PolarHBondContact O-N 3.32Å; N864-G869 WeakPolarHBondContact O-CA 3.17Å; N864-G869 PolarHBondContact O-N 3.02Å |
| 865 | C | 97.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 11% | 0.108 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -93.6 | -47.2 | -168.8 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | I828 T861 I862 I870 C881 | I828-C865 HydrophobicContact CD1-CB 3.68Å; T861-C865 VanDerWaalsContact O-CB 3.31Å; T861-C865 WeakPolarHBondContact O-CB 3.34Å; T861-C865 PolarHBondContact O-N 3.43Å; T861-C865 PolarHBondContact O-SG 3.03Å; I862-C865 PolarHBondContact O-N 3.29Å; C865-I870 WeakPolarHBondContact O-CG1 3.07Å; C865-C881 PolarHBondContact O-SG 3.5Å |
| 866 | N | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -86.4 | -26.1 | -173.7 | -66.5 | 59.8 | 0 | 0 | 0 | 112.1 | I828 I862 I870 A877 I878 N879 C881 | I828-N866 WeakPolarHBondContact CG2-OD1 3.36Å; I828-N866 PolarHBondContact O-ND2 2.61Å; I862-N866 HydrophobicContact CG2-CB 4.07Å; I862-N866 WeakPolarHBondContact O-CA 3.39Å; I862-N866 WeakPolarHBondContact O-CB 3.44Å; I862-N866 PolarHBondContact O-N 3.14Å; N866-I870 WeakPolarHBondContact O-CG1 3.23Å; N866-A877 HydrophobicContact CB-CB 4.43Å; N866-A877 WeakPolarHBondContact O-CA 3.14Å; N866-I878 HydrophobicContact CB-CG2 4.25Å; N866-I878 WeakPolarHBondContact CB-O 3.4Å; N866-I878 PolarHBondContact ND2-O 2.74Å; N866-I878 PolarHBondContact O-N 3.17Å; N866-N879 PolarHBondContact ND2-O 2.62Å; N866-C881 HydrophobicContact CB-CB 4.49Å; N866-C881 WeakPolarHBondContact OD1-CB 3.31Å |
| 867 | W | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -107.2 | -77.5 | -179.1 | 178.4 | 28.6 | 0 | 0 | 0 | 112.7 | I862 S863 G869 I870 G873 G876 A877 A920 L921 K924 | I862-W867 PolarHBondContact O-N 2.91Å; S863-W867 WeakPolarHBondContact O-CB 3.31Å; W867-G869 VanDerWaalsContact C-N 3.32Å; W867-G869 PolarHBondContact O-N 2.97Å; W867-I870 PolarHBondContact O-N 2.78Å; W867-G873 VanDerWaalsContact CD1-CA 3.43Å; W867-G873 PolarHBondContact NE1-O 2.78Å; W867-G873 WeakPolarHBondContact O-CA 3.44Å; W867-G873 PolarHBondContact O-N 3.37Å; W867-G876 VanDerWaalsContact CD1-O 3.32Å; W867-A877 HydrophobicContact CB-CB 4.14Å; W867-A920 HydrophobicContact CH2-CB 3.79Å; W867-A920 HydrophobicContact CZ2-CB 4.33Å; W867-L921 HydrophobicContact CD2-CD1 3.83Å; W867-L921 HydrophobicContact CE3-CB 4.36Å; W867-L921 HydrophobicContact CE3-CD1 4.24Å; W867-L921 HydrophobicContact CG-CD1 3.98Å; W867-L921 HydrophobicContact CH2-CB 4.06Å; W867-L921 HydrophobicContact CZ2-CB 4.32Å; W867-L921 HydrophobicContact CZ3-CB 4.08Å; W867-K924 HydrophobicContact CZ2-CG 4.17Å |
| 868 | H | 98 | Very high | 97.5 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 39% | 0.389 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -63 | -37.4 | -174 | -70.3 | -56.6 | 0 | 0 | 0 | 113.1 | S863 I870 N872 G873 | S863-H868 PolarHBondContact O-CD2 2.91Å; S863-H868 PolarHBondContact O-N 3.19Å; S863-H868 PolarHBondContact OG-CD2 3.41Å; H868-I870 PolarHBondContact O-N 3.1Å; H868-N872 CarbonylContact O-C 3.52Å; H868-N872 VanDerWaalsContact O-CA 3.26Å; H868-N872 WeakPolarHBondContact O-CA 3.34Å; H868-G873 PolarHBondContact O-N 3.32Å |
| 869 | G | 96.7 | Very high | 97.5 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | N864 W867 | N864-G869 WeakPolarHBondContact O-CA 3.17Å; N864-G869 PolarHBondContact O-N 3.02Å; W867-G869 VanDerWaalsContact C-N 3.32Å; W867-G869 PolarHBondContact O-N 2.97Å |
| 870 | I | 96.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -109.2 | 118.2 | -178.8 | -54.5 | -53.9 | 0 | 0 | 0 | 109.8 | C865 N866 W867 H868 N872 G873 I878 C885 P887 F897 | C865-I870 WeakPolarHBondContact O-CG1 3.07Å; N866-I870 WeakPolarHBondContact O-CG1 3.23Å; W867-I870 PolarHBondContact O-N 2.78Å; H868-I870 PolarHBondContact O-N 3.1Å; I870-N872 PolarHBondContact O-N 2.97Å; I870-G873 PolarHBondContact O-N 2.95Å; I870-I878 HydrophobicContact CG1-CG2 3.84Å; I870-C885 WeakPolarHBondContact CD1-O 3.04Å; I870-P887 HydrophobicContact CD1-CG 3.81Å; I870-F897 HydrophobicContact CG2-CE1 4.37Å; I870-F897 HydrophobicContact CG2-CZ 3.81Å |
| 871 | K | 93.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 50% | 0.5 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | 51.2 | 34.3 | -179.6 | -58.8 | -61.6 | -171 | -179.1 | 0 | 112.6 | G873 T874 I875 S945 | K871-G873 PolarHBondContact O-N 2.72Å; K871-G873 VanDerWaalsContact O-N 3.15Å; K871-T874 WeakPolarHBondContact O-CG2 3.4Å; K871-T874 PolarHBondContact O-N 3.03Å; K871-T874 PolarHBondContact O-OG1 2.6Å; K871-T874 VanDerWaalsContact O-OG1 3.08Å; K871-I875 HydrophobicContact CB-CD1 4.25Å; K871-I875 HydrophobicContact CB-CG1 4.16Å; K871-I875 HydrophobicContact CG-CD1 3.87Å; K871-I875 HydrophobicContact CG-CG1 4.33Å; K871-S945 WeakPolarHBondContact CE-OG 3.28Å |
| 872 | N | 95.6 | Very high | 97.1 | Very high | 146 Ų | 146 | 32.6 Ų | 32.6 | 78% | 0.781 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | 55.8 | 28.3 | -178.8 | -53.5 | -20.3 | 0 | 0 | 0 | 113.6 | H868 I870 T874 | H868-N872 CarbonylContact O-C 3.52Å; H868-N872 VanDerWaalsContact O-CA 3.26Å; H868-N872 WeakPolarHBondContact O-CA 3.34Å; I870-N872 PolarHBondContact O-N 2.97Å; N872-T874 VanDerWaalsContact C-N 3.31Å; N872-T874 PolarHBondContact O-N 3.36Å |
| 873 | G | 96.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | 72.4 | 13.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | W867 H868 I870 K871 I875 | W867-G873 VanDerWaalsContact CD1-CA 3.43Å; W867-G873 PolarHBondContact NE1-O 2.78Å; W867-G873 WeakPolarHBondContact O-CA 3.44Å; W867-G873 PolarHBondContact O-N 3.37Å; H868-G873 PolarHBondContact O-N 3.32Å; I870-G873 PolarHBondContact O-N 2.95Å; K871-G873 PolarHBondContact O-N 2.72Å; K871-G873 VanDerWaalsContact O-N 3.15Å; G873-I875 VanDerWaalsContact C-N 3.31Å; G873-I875 PolarHBondContact O-N 2.86Å |
| 874 | T | 95.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.9 | -173.7 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | K871 N872 | K871-T874 WeakPolarHBondContact O-CG2 3.4Å; K871-T874 PolarHBondContact O-N 3.03Å; K871-T874 PolarHBondContact O-OG1 2.6Å; K871-T874 VanDerWaalsContact O-OG1 3.08Å; N872-T874 VanDerWaalsContact C-N 3.31Å; N872-T874 PolarHBondContact O-N 3.36Å |
| 875 | I | 95.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | 19.1 | -171 | 62.2 | 168.2 | 0 | 0 | 0 | 114.5 | K871 G873 F897 T928 L932 Y943 S945 | K871-I875 HydrophobicContact CB-CD1 4.25Å; K871-I875 HydrophobicContact CB-CG1 4.16Å; K871-I875 HydrophobicContact CG-CD1 3.87Å; K871-I875 HydrophobicContact CG-CG1 4.33Å; G873-I875 VanDerWaalsContact C-N 3.31Å; G873-I875 PolarHBondContact O-N 2.86Å; I875-F897 HydrophobicContact CD1-CD1 4.48Å; I875-F897 HydrophobicContact CD1-CD2 4.45Å; I875-F897 HydrophobicContact CD1-CE1 3.83Å; I875-F897 HydrophobicContact CD1-CE2 3.81Å; I875-F897 HydrophobicContact CD1-CZ 3.45Å; I875-F897 VanDerWaalsContact CD1-CZ 3.45Å; I875-F897 HydrophobicContact CG1-CD1 4.37Å; I875-F897 HydrophobicContact CG1-CE1 3.77Å; I875-F897 HydrophobicContact CG1-CZ 3.92Å; I875-F897 WeakPolarHBondContact O-CD1 3.35Å; I875-T928 WeakPolarHBondContact CA-OG1 3.18Å; I875-T928 HydrophobicContact CB-CG2 4.26Å; I875-T928 HydrophobicContact CG2-CG2 4.18Å; I875-L932 HydrophobicContact CG2-CD2 4.37Å; I875-Y943 WeakPolarHBondContact O-CE2 3.43Å; I875-Y943 PolarHBondContact O-OH 2.62Å; I875-S945 VanDerWaalsContact CD1-CB 3.47Å |
| 876 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | 85.5 | -169.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W867 F897 N902 | W867-G876 VanDerWaalsContact CD1-O 3.32Å; G876-F897 WeakPolarHBondContact O-CE1 3.41Å; G876-N902 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 877 | A | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -91.4 | 128.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N866 W867 F897 N902 L905 L921 | N866-A877 HydrophobicContact CB-CB 4.43Å; N866-A877 WeakPolarHBondContact O-CA 3.14Å; W867-A877 HydrophobicContact CB-CB 4.14Å; A877-F897 VanDerWaalsContact C-CD1 3.41Å; A877-F897 WeakPolarHBondContact O-CD1 3.39Å; A877-N902 PolarHBondContact N-OD1 2.6Å; A877-N902 PolarHBondContact O-ND2 3.33Å; A877-N902 VanDerWaalsContact O-ND2 3.1Å; A877-L905 HydrophobicContact CB-CD1 4.17Å; A877-L921 HydrophobicContact CB-CD1 4.09Å | ||
| 878 | I | 98.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -76.6 | 147.9 | 171.6 | -156.5 | 173.7 | 0 | 0 | 0 | 110.4 | A830 N866 I870 C881 P887 E896 F897 | A830-I878 WeakPolarHBondContact CB-O 3.29Å; N866-I878 HydrophobicContact CB-CG2 4.25Å; N866-I878 WeakPolarHBondContact CB-O 3.4Å; N866-I878 PolarHBondContact ND2-O 2.74Å; N866-I878 PolarHBondContact O-N 3.17Å; I870-I878 HydrophobicContact CG1-CG2 3.84Å; I878-C881 HydrophobicContact CG2-CB 4.32Å; I878-P887 HydrophobicContact CD1-CB 3.96Å; I878-P887 HydrophobicContact CD1-CG 4.28Å; I878-E896 WeakPolarHBondContact CG1-O 3.3Å; I878-F897 HydrophobicContact CB-CD1 4.3Å; I878-F897 HydrophobicContact CB-CE1 3.79Å; I878-F897 HydrophobicContact CB-CE2 4.23Å; I878-F897 HydrophobicContact CB-CZ 3.75Å; I878-F897 HydrophobicContact CD1-CE2 4.1Å; I878-F897 HydrophobicContact CD1-CZ 4.13Å; I878-F897 HydrophobicContact CG1-CD2 4.32Å; I878-F897 HydrophobicContact CG1-CE1 4.35Å; I878-F897 HydrophobicContact CG1-CE2 3.88Å; I878-F897 HydrophobicContact CG1-CZ 3.9Å | ||
| 879 | N | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -63.6 | -46.1 | -176.1 | -70.3 | -15 | 0 | 0 | 0 | 113.5 | Y735 W738 M829 A830 N866 Q893 E896 W898 | Y735-N879 HydrophobicContact CE1-CB 4.41Å; W738-N879 HydrophobicContact CZ3-CB 4.41Å; M829-N879 CarbonylContact C-O 3.49Å; M829-N879 WeakPolarHBondContact CA-O 3.5Å; A830-N879 PolarHBondContact N-O 3.36Å; N866-N879 PolarHBondContact ND2-O 2.62Å; N879-Q893 VanDerWaalsContact CB-O 3.23Å; N879-Q893 WeakPolarHBondContact CB-O 3.45Å; N879-Q893 PolarHBondContact ND2-O 3.26Å; N879-E896 WeakPolarHBondContact CB-O 3.37Å; N879-E896 PolarHBondContact N-O 2.99Å; N879-E896 PolarHBondContact ND2-O 3.25Å; N879-E896 PolarHBondContact OD1-O 2.83Å; N879-W898 VanDerWaalsContact ND2-CD2 3.25Å; N879-W898 VanDerWaalsContact ND2-CE2 3.32Å; N879-W898 PolarHBondContact ND2-NE1 2.57Å; N879-W898 PolarHBondContact OD1-N 2.77Å |
| 880 | G | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D888 A894 | G880-D888 PolarHBondContact O-N 3.4Å; G880-A894 PolarHBondContact N-O 3.3Å |
| 881 | C | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.7 | 177.8 | -165 | 0 | 0 | 0 | 0 | 110.6 | I828 C865 N866 I878 C885 K886 | I828-C881 WeakPolarHBondContact CA-O 3.37Å; I828-C881 WeakPolarHBondContact CB-O 3.35Å; I828-C881 PolarHBondContact N-O 3.47Å; I828-C881 PolarHBondContact O-N 2.92Å; C865-C881 PolarHBondContact O-SG 3.5Å; N866-C881 HydrophobicContact CB-CB 4.49Å; N866-C881 WeakPolarHBondContact OD1-CB 3.31Å; I878-C881 HydrophobicContact CG2-CB 4.32Å; C881-C885 VanDerWaalsContact SG-CA 3.5Å; C881-K886 CarbonylContact C-O 3.55Å; C881-K886 WeakPolarHBondContact CA-O 3.41Å; C881-K886 PolarHBondContact SG-N 3.28Å; C881-K886 VanDerWaalsContact SG-N 3.42Å; C881-K886 PolarHBondContact SG-O 3.41Å |
| 882 | L | 93.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 158.3 | 171.4 | -68.7 | 170.4 | 0 | 0 | 0 | 110.7 | V827 V884 C885 K886 | V827-L882 HydrophobicContact CG2-CD2 3.62Å; L882-V884 PolarHBondContact O-N 2.91Å; L882-C885 PolarHBondContact O-N 3.45Å; L882-C885 VanDerWaalsContact O-N 3.15Å; L882-K886 HydrophobicContact CB-CB 4.49Å; L882-K886 PolarHBondContact N-O 2.84Å |
| 883 | P | 86.9 | Confident | 94.6 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 34% | 0.338 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 139.7 | 164.9 | -23 | 34.4 | 0 | 0 | 0 | 108.9 | Y814 E826 | Y814-P883 WeakPolarHBondContact OH-CG 3.49Å; E826-P883 HydrophobicContact CB-CG 3.92Å; E826-P883 WeakPolarHBondContact O-CD 3.46Å |
| 884 | V | 88.4 | Confident | 94.5 | Very high | 114 Ų | 114 | 33.2 Ų | 33.2 | 69% | 0.691 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 19.7 | -167.2 | -45.1 | 0 | 0 | 0 | 0 | 116.9 | L882 K886 | L882-V884 PolarHBondContact O-N 2.91Å; V884-K886 VanDerWaalsContact C-N 3.33Å; V884-K886 HydrophobicContact CG2-CD 3.92Å; V884-K886 HydrophobicContact CG2-CG 3.98Å; V884-K886 PolarHBondContact O-N 3Å |
| 885 | C | 93 | Very high | 94.6 | Very high | 46 Ų | 46 | 30 Ų | 30 | 31% | 0.311 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 36 | 171.1 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | I870 C881 L882 | I870-C885 WeakPolarHBondContact CD1-O 3.04Å; C881-C885 VanDerWaalsContact SG-CA 3.5Å; L882-C885 PolarHBondContact O-N 3.45Å; L882-C885 VanDerWaalsContact O-N 3.15Å |
| 886 | K | 93.9 | Very high | 94.7 | Very high | 129 Ų | 129 | 29.7 Ų | 29.7 | 56% | 0.561 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.9 | 176.6 | -74.5 | -177.1 | 179.5 | 178.8 | 0 | 110.3 | C881 L882 V884 D888 | C881-K886 CarbonylContact C-O 3.55Å; C881-K886 WeakPolarHBondContact CA-O 3.41Å; C881-K886 PolarHBondContact SG-N 3.28Å; C881-K886 VanDerWaalsContact SG-N 3.42Å; C881-K886 PolarHBondContact SG-O 3.41Å; L882-K886 HydrophobicContact CB-CB 4.49Å; L882-K886 PolarHBondContact N-O 2.84Å; V884-K886 VanDerWaalsContact C-N 3.33Å; V884-K886 HydrophobicContact CG2-CD 3.92Å; V884-K886 HydrophobicContact CG2-CG 3.98Å; V884-K886 PolarHBondContact O-N 3Å; K886-D888 PolarHBondContact O-N 2.84Å |
| 887 | P | 94.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 135.8 | 174 | -28.7 | 35.9 | 0 | 0 | 0 | 112.3 | I870 I878 L889 | I870-P887 HydrophobicContact CD1-CG 3.81Å; I878-P887 HydrophobicContact CD1-CB 3.96Å; I878-P887 HydrophobicContact CD1-CG 4.28Å; P887-L889 HydrophobicContact CB-CD2 3.97Å; P887-L889 PolarHBondContact O-N 2.7Å |
| 888 | D | 94.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | trans | -73.5 | 114.3 | 167.4 | 176.2 | 19.1 | 0 | 0 | 0 | 109 | W738 V827 G880 K886 S890 A894 E895 | W738-D888 WeakPolarHBondContact CZ2-OD2 3.2Å; W738-D888 PolarHBondContact NE1-OD2 3.49Å; V827-D888 HydrophobicContact CG1-CB 4.16Å; V827-D888 HydrophobicContact CG2-CB 4.28Å; G880-D888 PolarHBondContact O-N 3.4Å; K886-D888 PolarHBondContact O-N 2.84Å; D888-S890 VanDerWaalsContact CG-OG 3.25Å; D888-S890 WeakPolarHBondContact OD1-CB 3.43Å; D888-S890 PolarHBondContact OD1-N 2.98Å; D888-S890 PolarHBondContact OD1-OG 3.45Å; D888-S890 PolarHBondContact OD2-OG 3.33Å; D888-A894 HydrophobicContact CB-CB 3.95Å; D888-A894 WeakPolarHBondContact O-CB 3.12Å; D888-E895 VanDerWaalsContact O-CG 3.27Å; D888-E895 WeakPolarHBondContact O-CG 3.42Å | ||
| 889 | L | 93.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 29.4 Ų | 29.4 | 45% | 0.445 | 17% | 0.166 | S | C | . | . | trans | -94.7 | 7.3 | -178.8 | -52.8 | -178.1 | 0 | 0 | 0 | 112.6 | Q45 P887 E895 | Q45-L889 PolarHBondContact NE2-O 3.43Å; P887-L889 HydrophobicContact CB-CD2 3.97Å; P887-L889 PolarHBondContact O-N 2.7Å; L889-E895 HydrophobicContact CD2-CG 3.89Å; L889-E895 VanDerWaalsContact CD2-OE2 3.3Å; L889-E895 WeakPolarHBondContact CD2-OE2 3.38Å | ||
| 890 | S | 90.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 29.4 Ų | 29.4 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -72.7 | -28.1 | -175.2 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | D888 | D888-S890 VanDerWaalsContact CG-OG 3.25Å; D888-S890 WeakPolarHBondContact OD1-CB 3.43Å; D888-S890 PolarHBondContact OD1-N 2.98Å; D888-S890 PolarHBondContact OD1-OG 3.45Å; D888-S890 PolarHBondContact OD2-OG 3.33Å |
| 891 | S | 92.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -137.7 | 149.2 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | V737 Q893 A894 E895 | V737-S891 PolarHBondContact O-OG 3.47Å; S891-Q893 PolarHBondContact O-N 3.42Å; S891-Q893 PolarHBondContact OG-N 2.86Å; S891-A894 WeakPolarHBondContact O-CB 3.2Å; S891-A894 PolarHBondContact O-N 3.4Å; S891-A894 VanDerWaalsContact O-N 3.15Å; S891-E895 PolarHBondContact O-N 2.89Å |
| 892 | V | 93.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -40.9 | 173.2 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | F38 P41 Q45 A894 E895 E896 | F38-V892 HydrophobicContact CE1-CG1 4.11Å; F38-V892 HydrophobicContact CE2-CG1 3.79Å; F38-V892 HydrophobicContact CZ-CB 4.4Å; F38-V892 HydrophobicContact CZ-CG1 3.56Å; F38-V892 HydrophobicContact CZ-CG2 3.86Å; P41-V892 HydrophobicContact CB-CG2 3.72Å; P41-V892 HydrophobicContact CG-CG2 4Å; Q45-V892 VanDerWaalsContact OE1-CG2 3.28Å; V892-A894 VanDerWaalsContact C-N 3.29Å; V892-A894 PolarHBondContact O-N 3.44Å; V892-E895 PolarHBondContact O-N 2.9Å; V892-E895 VanDerWaalsContact O-N 3.15Å; V892-E896 WeakPolarHBondContact CG1-OE1 3.4Å; V892-E896 WeakPolarHBondContact O-CG 3.39Å |
| 893 | Q | 95.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -68 | -28.3 | -179.8 | -75.9 | 175 | -31.8 | 0 | 0 | 112.9 | Y735 D736 V737 W738 N879 S891 E895 E896 W898 | Y735-Q893 HydrophobicContact CD1-CB 4.29Å; Y735-Q893 PolarHBondContact O-OE1 3.17Å; D736-Q893 PolarHBondContact OD1-NE2 2.97Å; V737-Q893 HydrophobicContact CG2-CB 4.18Å; V737-Q893 HydrophobicContact CG2-CG 3.45Å; V737-Q893 VanDerWaalsContact CG2-CG 3.45Å; W738-Q893 HydrophobicContact CB-CB 4.45Å; N879-Q893 VanDerWaalsContact CB-O 3.23Å; N879-Q893 WeakPolarHBondContact CB-O 3.45Å; N879-Q893 PolarHBondContact ND2-O 3.26Å; S891-Q893 PolarHBondContact O-N 3.42Å; S891-Q893 PolarHBondContact OG-N 2.86Å; Q893-E895 VanDerWaalsContact C-N 3.28Å; Q893-E895 PolarHBondContact O-N 3.07Å; Q893-E896 PolarHBondContact O-N 3.06Å; Q893-W898 HydrophobicContact CB-CZ2 4.17Å; Q893-W898 HydrophobicContact CG-CZ2 3.77Å |
| 894 | A | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -69.6 | -28.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W738 G880 D888 S891 V892 E896 | W738-A894 HydrophobicContact CD2-CB 4.07Å; W738-A894 HydrophobicContact CE3-CB 4.36Å; W738-A894 HydrophobicContact CH2-CB 4.08Å; W738-A894 HydrophobicContact CZ2-CB 3.76Å; W738-A894 HydrophobicContact CZ3-CB 4.36Å; G880-A894 PolarHBondContact N-O 3.3Å; D888-A894 HydrophobicContact CB-CB 3.95Å; D888-A894 WeakPolarHBondContact O-CB 3.12Å; S891-A894 WeakPolarHBondContact O-CB 3.2Å; S891-A894 PolarHBondContact O-N 3.4Å; S891-A894 VanDerWaalsContact O-N 3.15Å; V892-A894 VanDerWaalsContact C-N 3.29Å; V892-A894 PolarHBondContact O-N 3.44Å; A894-E896 VanDerWaalsContact C-N 3.31Å; A894-E896 PolarHBondContact O-N 3.38Å |
| 895 | E | 96 | Very high | 96.2 | Very high | 14 Ų | 14 | 19.2 Ų | 19.2 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -84.8 | -2 | -179.4 | -63.6 | -168.2 | -113 | 0 | 0 | 114.8 | R42 Q45 D888 L889 S891 V892 Q893 M944 | R42-E895 WeakPolarHBondContact CD-OE1 3.15Å; R42-E895 IonicContact CZ-OE1 3.76Å; R42-E895 IonicContact CZ-OE2 2.94Å; R42-E895 VanDerWaalsContact NE-CD 3.28Å; R42-E895 IonicContact NE-OE1 2.95Å; R42-E895 PolarHBondContact NE-OE1 3.29Å; R42-E895 IonicContact NE-OE2 2.94Å; R42-E895 PolarHBondContact NE-OE2 2.69Å; R42-E895 IonicContact NH2-OE1 2.78Å; R42-E895 IonicContact NH2-OE2 3.68Å; R42-E895 PolarHBondContact NH2-OE2 2.93Å; Q45-E895 PolarHBondContact NE2-OE1 3.13Å; D888-E895 VanDerWaalsContact O-CG 3.27Å; D888-E895 WeakPolarHBondContact O-CG 3.42Å; L889-E895 HydrophobicContact CD2-CG 3.89Å; L889-E895 VanDerWaalsContact CD2-OE2 3.3Å; L889-E895 WeakPolarHBondContact CD2-OE2 3.38Å; S891-E895 PolarHBondContact O-N 2.89Å; V892-E895 PolarHBondContact O-N 2.9Å; V892-E895 VanDerWaalsContact O-N 3.15Å; Q893-E895 VanDerWaalsContact C-N 3.28Å; Q893-E895 PolarHBondContact O-N 3.07Å; E895-M944 HydrophobicContact CB-CE 3.67Å |
| 896 | E | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | trans | -96.6 | 160 | -173.3 | -79.5 | 169.9 | 172.7 | 0 | 0 | 112.9 | I878 N879 V892 Q893 A894 W898 A942 M944 R950 | I878-E896 WeakPolarHBondContact CG1-O 3.3Å; N879-E896 WeakPolarHBondContact CB-O 3.37Å; N879-E896 PolarHBondContact N-O 2.99Å; N879-E896 PolarHBondContact ND2-O 3.25Å; N879-E896 PolarHBondContact OD1-O 2.83Å; V892-E896 WeakPolarHBondContact CG1-OE1 3.4Å; V892-E896 WeakPolarHBondContact O-CG 3.39Å; Q893-E896 PolarHBondContact O-N 3.06Å; A894-E896 VanDerWaalsContact C-N 3.31Å; A894-E896 PolarHBondContact O-N 3.38Å; E896-W898 PolarHBondContact OE2-NE1 3.11Å; E896-A942 HydrophobicContact CB-CB 4.14Å; E896-A942 HydrophobicContact CG-CB 4.17Å; E896-M944 HydrophobicContact CG-CG 4.16Å; E896-R950 WeakPolarHBondContact OE1-CD 3.44Å; E896-R950 IonicContact OE1-CZ 3.24Å; E896-R950 IonicContact OE1-NE 2.64Å; E896-R950 PolarHBondContact OE1-NE 3.32Å; E896-R950 IonicContact OE1-NH1 3.16Å; E896-R950 PolarHBondContact OE1-NH1 3.16Å; E896-R950 IonicContact OE1-NH2 3.68Å; E896-R950 IonicContact OE2-CZ 2.62Å; E896-R950 IonicContact OE2-NE 2.67Å; E896-R950 IonicContact OE2-NH1 3.8Å; E896-R950 PolarHBondContact OE2-NH1 3.4Å; E896-R950 IonicContact OE2-NH2 3.56Å; E896-R950 PolarHBondContact OE2-NH2 3.36Å | ||
| 897 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.2 | 171.2 | -60.8 | -104.3 | 0 | 0 | 0 | 106.4 | I870 I875 G876 A877 I878 A942 Y943 | I870-F897 HydrophobicContact CG2-CE1 4.37Å; I870-F897 HydrophobicContact CG2-CZ 3.81Å; I875-F897 HydrophobicContact CD1-CD1 4.48Å; I875-F897 HydrophobicContact CD1-CD2 4.45Å; I875-F897 HydrophobicContact CD1-CE1 3.83Å; I875-F897 HydrophobicContact CD1-CE2 3.81Å; I875-F897 HydrophobicContact CD1-CZ 3.45Å; I875-F897 VanDerWaalsContact CD1-CZ 3.45Å; I875-F897 HydrophobicContact CG1-CD1 4.37Å; I875-F897 HydrophobicContact CG1-CE1 3.77Å; I875-F897 HydrophobicContact CG1-CZ 3.92Å; I875-F897 WeakPolarHBondContact O-CD1 3.35Å; G876-F897 WeakPolarHBondContact O-CE1 3.41Å; A877-F897 VanDerWaalsContact C-CD1 3.41Å; A877-F897 WeakPolarHBondContact O-CD1 3.39Å; I878-F897 HydrophobicContact CB-CD1 4.3Å; I878-F897 HydrophobicContact CB-CE1 3.79Å; I878-F897 HydrophobicContact CB-CE2 4.23Å; I878-F897 HydrophobicContact CB-CZ 3.75Å; I878-F897 HydrophobicContact CD1-CE2 4.1Å; I878-F897 HydrophobicContact CD1-CZ 4.13Å; I878-F897 HydrophobicContact CG1-CD2 4.32Å; I878-F897 HydrophobicContact CG1-CE1 4.35Å; I878-F897 HydrophobicContact CG1-CE2 3.88Å; I878-F897 HydrophobicContact CG1-CZ 3.9Å; F897-A942 WeakPolarHBondContact O-CA 3.47Å; F897-Y943 HydrophobicContact CB-CD1 4.22Å; F897-Y943 HydrophobicContact CB-CD2 3.72Å; F897-Y943 HydrophobicContact CB-CE1 3.89Å; F897-Y943 HydrophobicContact CB-CE2 3.35Å; F897-Y943 HydrophobicContact CB-CG 4.14Å; F897-Y943 VanDerWaalsContact CB-CZ 3.45Å; F897-Y943 HydrophobicContact CD1-CE2 4.22Å; F897-Y943 HydrophobicContact CD2-CD2 4.34Å; F897-Y943 HydrophobicContact CD2-CE2 4.33Å; F897-Y943 WeakPolarHBondContact CD2-O 3.32Å; F897-Y943 HydrophobicContact CG-CD2 4.13Å; F897-Y943 AromaticContact CG-CE2 3.72Å; F897-Y943 HydrophobicContact CG-CE2 3.72Å; F897-Y943 PolarHBondContact N-O 3.4Å; F897-Y943 WeakPolarHBondContact O-CD1 3.5Å; F897-Y943 PolarHBondContact O-N 2.92Å |
| 898 | W | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 0% | 0.004 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.8 | 179.2 | -74.2 | 6.9 | 0 | 0 | 0 | 110.7 | T734 Y735 N879 Q893 E896 A900 V901 N902 A942 R956 | T734-W898 HydrophobicContact CG2-CH2 4.12Å; T734-W898 HydrophobicContact CG2-CZ3 3.84Å; Y735-W898 HydrophobicContact CD1-CE3 4.22Å; Y735-W898 AromaticContact CD1-CH2 3.32Å; Y735-W898 HydrophobicContact CD1-CH2 3.32Å; Y735-W898 AromaticContact CD1-CZ2 3.83Å; Y735-W898 HydrophobicContact CD1-CZ2 3.83Å; Y735-W898 AromaticContact CD1-CZ3 3.54Å; Y735-W898 HydrophobicContact CD1-CZ3 3.54Å; Y735-W898 HydrophobicContact CD2-CH2 4.2Å; Y735-W898 HydrophobicContact CD2-CZ3 4.02Å; Y735-W898 HydrophobicContact CE1-CD2 4Å; Y735-W898 AromaticContact CE1-CE3 3.47Å; Y735-W898 HydrophobicContact CE1-CE3 3.47Å; Y735-W898 VanDerWaalsContact CE1-CE3 3.47Å; Y735-W898 AromaticContact CE1-CH2 3.48Å; Y735-W898 HydrophobicContact CE1-CH2 3.48Å; Y735-W898 VanDerWaalsContact CE1-CH2 3.48Å; Y735-W898 AromaticContact CE1-CZ2 3.99Å; Y735-W898 HydrophobicContact CE1-CZ2 3.99Å; Y735-W898 AromaticContact CE1-CZ3 3.18Å; Y735-W898 HydrophobicContact CE1-CZ3 3.18Å; Y735-W898 HydrophobicContact CE2-CE3 4.36Å; Y735-W898 HydrophobicContact CE2-CH2 4.28Å; Y735-W898 AromaticContact CE2-CZ3 3.65Å; Y735-W898 HydrophobicContact CE2-CZ3 3.65Å; Y735-W898 AromaticContact CG-CH2 3.72Å; Y735-W898 HydrophobicContact CG-CH2 3.72Å; Y735-W898 AromaticContact CG-CZ3 3.95Å; Y735-W898 HydrophobicContact CG-CZ3 3.95Å; Y735-W898 AromaticContact CZ-CE3 3.54Å; Y735-W898 AromaticContact CZ-CH2 3.95Å; Y735-W898 AromaticContact CZ-CZ3 3.22Å; N879-W898 VanDerWaalsContact ND2-CD2 3.25Å; N879-W898 VanDerWaalsContact ND2-CE2 3.32Å; N879-W898 PolarHBondContact ND2-NE1 2.57Å; N879-W898 PolarHBondContact OD1-N 2.77Å; Q893-W898 HydrophobicContact CB-CZ2 4.17Å; Q893-W898 HydrophobicContact CG-CZ2 3.77Å; E896-W898 PolarHBondContact OE2-NE1 3.11Å; W898-A900 PolarHBondContact O-N 2.9Å; W898-V901 HydrophobicContact CB-CB 3.96Å; W898-V901 HydrophobicContact CB-CG2 3.64Å; W898-V901 HydrophobicContact CD2-CG2 4.43Å; W898-V901 HydrophobicContact CE3-CG2 3.85Å; W898-V901 HydrophobicContact CG-CG2 4.41Å; W898-V901 PolarHBondContact O-N 3.13Å; W898-N902 PolarHBondContact O-N 3.37Å; W898-N902 VanDerWaalsContact O-N 3.09Å; W898-N902 PolarHBondContact O-ND2 2.81Å; W898-A942 VanDerWaalsContact CD1-CB 3.42Å; W898-R956 VanDerWaalsContact CE2-NH1 3.28Å; W898-R956 VanDerWaalsContact CH2-NH2 3.33Å |
| 899 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | V901 N902 Y903 I929 T939 P940 Y943 R956 | V899-V901 VanDerWaalsContact C-N 3.34Å; V899-V901 PolarHBondContact O-N 3.41Å; V899-N902 PolarHBondContact O-N 3.42Å; V899-Y903 HydrophobicContact CG1-CD2 3.77Å; V899-Y903 HydrophobicContact CG1-CE2 3.4Å; V899-Y903 PolarHBondContact O-N 3.27Å; V899-I929 HydrophobicContact CG1-CD1 4.2Å; V899-I929 HydrophobicContact CG2-CD1 3.69Å; V899-T939 HydrophobicContact CB-CG2 4.42Å; V899-T939 HydrophobicContact CG1-CG2 3.81Å; V899-T939 HydrophobicContact CG2-CG2 4.02Å; V899-P940 WeakPolarHBondContact CG2-O 3.4Å; V899-Y943 HydrophobicContact CG2-CD1 4.38Å; V899-Y943 HydrophobicContact CG2-CE1 4.25Å; V899-R956 HydrophobicContact CB-CB 4.42Å |
| 900 | A | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.008 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -64.3 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y600 W898 N902 Y903 S904 R956 A959 | Y600-A900 HydrophobicContact CD1-CB 3.86Å; Y600-A900 HydrophobicContact CD2-CB 4.24Å; Y600-A900 HydrophobicContact CG-CB 3.65Å; W898-A900 PolarHBondContact O-N 2.9Å; A900-N902 VanDerWaalsContact C-N 3.34Å; A900-Y903 PolarHBondContact O-N 3.08Å; A900-S904 VanDerWaalsContact O-CB 3.3Å; A900-S904 WeakPolarHBondContact O-CB 3.2Å; A900-S904 PolarHBondContact O-N 3Å; A900-S904 PolarHBondContact O-OG 3.46Å; A900-R956 HydrophobicContact CB-CB 3.6Å; A900-R956 HydrophobicContact CB-CG 3.51Å; A900-A959 HydrophobicContact CB-CB 3.79Å |
| 901 | V | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 2.8 Ų | 2.8 | 1% | 0.006 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | Y735 A830 D831 W898 V899 S904 L905 | Y735-V901 WeakPolarHBondContact OH-CG2 3.04Å; A830-V901 HydrophobicContact CB-CG1 3.82Å; D831-V901 HydrophobicContact CB-CG1 3.95Å; D831-V901 HydrophobicContact CB-CG2 4.1Å; W898-V901 HydrophobicContact CB-CB 3.96Å; W898-V901 HydrophobicContact CB-CG2 3.64Å; W898-V901 HydrophobicContact CD2-CG2 4.43Å; W898-V901 HydrophobicContact CE3-CG2 3.85Å; W898-V901 HydrophobicContact CG-CG2 4.41Å; W898-V901 PolarHBondContact O-N 3.13Å; V899-V901 VanDerWaalsContact C-N 3.34Å; V899-V901 PolarHBondContact O-N 3.41Å; V901-S904 WeakPolarHBondContact CA-OG 3.46Å; V901-S904 PolarHBondContact O-OG 3.05Å; V901-L905 HydrophobicContact CG1-CD1 4.09Å; V901-L905 VanDerWaalsContact O-CB 3.28Å; V901-L905 WeakPolarHBondContact O-CB 3.49Å; V901-L905 WeakPolarHBondContact O-CG 3.44Å; V901-L905 PolarHBondContact O-N 3.41Å |
| 902 | N | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.2 | -82.6 | -96.5 | 0 | 0 | 0 | 111.6 | G876 A877 W898 V899 A900 S906 L921 C925 | G876-N902 WeakPolarHBondContact CA-OD1 3.42Å; A877-N902 PolarHBondContact N-OD1 2.6Å; A877-N902 PolarHBondContact O-ND2 3.33Å; A877-N902 VanDerWaalsContact O-ND2 3.1Å; W898-N902 PolarHBondContact O-N 3.37Å; W898-N902 VanDerWaalsContact O-N 3.09Å; W898-N902 PolarHBondContact O-ND2 2.81Å; V899-N902 PolarHBondContact O-N 3.42Å; A900-N902 VanDerWaalsContact C-N 3.34Å; N902-S906 VanDerWaalsContact O-CB 3.24Å; N902-S906 WeakPolarHBondContact O-CB 3.48Å; N902-S906 PolarHBondContact O-N 3.06Å; N902-L921 WeakPolarHBondContact OD1-CD1 3.34Å; N902-C925 HydrophobicContact CB-CB 3.86Å |
| 903 | Y | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -70.1 | -36.7 | 176.2 | -66.3 | -30.4 | 0 | 0 | 0 | 112.9 | E501 V899 A900 S906 S907 C925 A959 I960 I963 | E501-Y903 PolarHBondContact OE1-OH 3.39Å; V899-Y903 HydrophobicContact CG1-CD2 3.77Å; V899-Y903 HydrophobicContact CG1-CE2 3.4Å; V899-Y903 PolarHBondContact O-N 3.27Å; A900-Y903 PolarHBondContact O-N 3.08Å; Y903-S906 WeakPolarHBondContact O-CB 3.47Å; Y903-S906 PolarHBondContact O-N 3.3Å; Y903-S907 PolarHBondContact O-N 3.08Å; Y903-S907 PolarHBondContact O-OG 3.46Å; Y903-C925 HydrophobicContact CE1-CB 4.24Å; Y903-A959 HydrophobicContact CD2-CB 4.37Å; Y903-I960 HydrophobicContact CD1-CG1 4.39Å; Y903-I960 HydrophobicContact CD2-CB 3.8Å; Y903-I960 HydrophobicContact CD2-CG1 4.46Å; Y903-I960 HydrophobicContact CE1-CD1 4.15Å; Y903-I960 HydrophobicContact CE1-CG1 4.3Å; Y903-I960 HydrophobicContact CE2-CB 3.84Å; Y903-I960 HydrophobicContact CE2-CD1 4.37Å; Y903-I960 HydrophobicContact CE2-CG1 4.35Å; Y903-I960 HydrophobicContact CG-CB 4.18Å; Y903-I960 HydrophobicContact CG-CG1 4.48Å; Y903-I963 HydrophobicContact CD1-CD1 3.98Å; Y903-I963 HydrophobicContact CG-CD1 4.48Å |
| 904 | S | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.7 | -46 | 175.7 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | W837 A900 V901 S906 S907 L908 | W837-S904 VanDerWaalsContact CE2-CB 3.46Å; W837-S904 PolarHBondContact NE1-O 2.97Å; A900-S904 VanDerWaalsContact O-CB 3.3Å; A900-S904 WeakPolarHBondContact O-CB 3.2Å; A900-S904 PolarHBondContact O-N 3Å; A900-S904 PolarHBondContact O-OG 3.46Å; V901-S904 WeakPolarHBondContact CA-OG 3.46Å; V901-S904 PolarHBondContact O-OG 3.05Å; S904-S906 VanDerWaalsContact C-N 3.35Å; S904-S906 PolarHBondContact O-N 3.06Å; S904-S907 PolarHBondContact O-N 3.3Å; S904-S907 PolarHBondContact O-OG 2.88Å; S904-L908 WeakPolarHBondContact O-CB 3.36Å; S904-L908 PolarHBondContact O-N 3.27Å |
| 905 | L | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 7.9 Ų | 7.9 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 173.4 | -80.2 | 173.3 | 0 | 0 | 0 | 112.2 | A830 L859 I862 A877 V901 S907 L908 M909 L921 | A830-L905 HydrophobicContact CB-CD1 4Å; A830-L905 WeakPolarHBondContact O-CD2 3.19Å; L859-L905 HydrophobicContact CD2-CD2 4.02Å; I862-L905 HydrophobicContact CD1-CD2 4.25Å; I862-L905 HydrophobicContact CG2-CD1 3.88Å; I862-L905 HydrophobicContact CG2-CD2 4.32Å; A877-L905 HydrophobicContact CB-CD1 4.17Å; V901-L905 HydrophobicContact CG1-CD1 4.09Å; V901-L905 VanDerWaalsContact O-CB 3.28Å; V901-L905 WeakPolarHBondContact O-CB 3.49Å; V901-L905 WeakPolarHBondContact O-CG 3.44Å; V901-L905 PolarHBondContact O-N 3.41Å; L905-S907 VanDerWaalsContact C-N 3.34Å; L905-S907 PolarHBondContact O-N 3.49Å; L905-L908 PolarHBondContact O-N 3.16Å; L905-M909 WeakPolarHBondContact O-CB 3.4Å; L905-M909 VanDerWaalsContact O-CG 3.32Å; L905-M909 WeakPolarHBondContact O-CG 3.45Å; L905-M909 PolarHBondContact O-N 3.44Å; L905-L921 HydrophobicContact CB-CD2 3.61Å; L905-L921 HydrophobicContact CD1-CD2 4.38Å |
| 906 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -54.7 | -50.4 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | N902 Y903 S904 L908 M909 I910 G918 I963 | N902-S906 VanDerWaalsContact O-CB 3.24Å; N902-S906 WeakPolarHBondContact O-CB 3.48Å; N902-S906 PolarHBondContact O-N 3.06Å; Y903-S906 WeakPolarHBondContact O-CB 3.47Å; Y903-S906 PolarHBondContact O-N 3.3Å; S904-S906 VanDerWaalsContact C-N 3.35Å; S904-S906 PolarHBondContact O-N 3.06Å; S906-L908 PolarHBondContact O-N 2.75Å; S906-M909 PolarHBondContact O-N 2.82Å; S906-I910 WeakPolarHBondContact O-CD1 3.46Å; S906-I910 WeakPolarHBondContact O-CG1 3.16Å; S906-I910 PolarHBondContact O-N 2.96Å; S906-I910 VanDerWaalsContact O-N 3.1Å; S906-G918 VanDerWaalsContact CB-O 3.23Å; S906-G918 WeakPolarHBondContact CB-O 3.16Å; S906-G918 VanDerWaalsContact OG-C 3.31Å; S906-G918 PolarHBondContact OG-O 2.95Å; S906-I963 VanDerWaalsContact OG-CD1 3.23Å; S906-I963 WeakPolarHBondContact OG-CD1 3.26Å |
| 907 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 179.1 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | W837 Y903 S904 L905 I910 A911 S962 A966 | W837-S907 PolarHBondContact NE1-OG 3.41Å; Y903-S907 PolarHBondContact O-N 3.08Å; Y903-S907 PolarHBondContact O-OG 3.46Å; S904-S907 PolarHBondContact O-N 3.3Å; S904-S907 PolarHBondContact O-OG 2.88Å; L905-S907 VanDerWaalsContact C-N 3.34Å; L905-S907 PolarHBondContact O-N 3.49Å; S907-I910 PolarHBondContact O-N 3.41Å; S907-A911 WeakPolarHBondContact O-CB 3.29Å; S907-A911 PolarHBondContact O-N 3.5Å; S907-S962 VanDerWaalsContact CB-C 3.46Å; S907-S962 VanDerWaalsContact CB-O 3.29Å; S907-S962 WeakPolarHBondContact CB-O 3.35Å; S907-S962 PolarHBondContact OG-OG 3.18Å; S907-A966 WeakPolarHBondContact O-CB 3.36Å |
| 908 | L | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.3 | 178.3 | 53.7 | 0 | 0 | 0 | 111.5 | L833 Y836 W837 R840 L859 S904 L905 S906 I910 A911 E912 | L833-L908 HydrophobicContact CB-CD2 3.81Å; L833-L908 HydrophobicContact CD1-CD2 3.92Å; Y836-L908 HydrophobicContact CD1-CD1 3.79Å; Y836-L908 HydrophobicContact CD1-CD2 4.3Å; Y836-L908 HydrophobicContact CE1-CD1 3.81Å; W837-L908 HydrophobicContact CB-CB 4.32Å; W837-L908 HydrophobicContact CB-CD2 4.03Å; W837-L908 HydrophobicContact CG-CB 4.45Å; R840-L908 HydrophobicContact CB-CD1 4.27Å; R840-L908 HydrophobicContact CG-CD1 4.13Å; L859-L908 HydrophobicContact CD1-CG 4.2Å; L859-L908 HydrophobicContact CD2-CD2 3.93Å; L859-L908 HydrophobicContact CD2-CG 4.16Å; S904-L908 WeakPolarHBondContact O-CB 3.36Å; S904-L908 PolarHBondContact O-N 3.27Å; L905-L908 PolarHBondContact O-N 3.16Å; S906-L908 PolarHBondContact O-N 2.75Å; L908-I910 VanDerWaalsContact C-N 3.31Å; L908-I910 PolarHBondContact O-N 3.04Å; L908-A911 PolarHBondContact O-N 3.35Å; L908-E912 HydrophobicContact CD1-CG 4.04Å; L908-E912 PolarHBondContact O-N 2.79Å |
| 909 | M | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 174.2 | -76.3 | 179.1 | 179.7 | 0 | 0 | 110.7 | L859 L905 S906 A911 E912 G913 M914 E917 L921 | L859-M909 HydrophobicContact CD1-CG 4.42Å; L859-M909 HydrophobicContact CD2-CE 4.49Å; L859-M909 HydrophobicContact CD2-CG 4.19Å; L905-M909 WeakPolarHBondContact O-CB 3.4Å; L905-M909 VanDerWaalsContact O-CG 3.32Å; L905-M909 WeakPolarHBondContact O-CG 3.45Å; L905-M909 PolarHBondContact O-N 3.44Å; S906-M909 PolarHBondContact O-N 2.82Å; M909-A911 PolarHBondContact O-N 2.9Å; M909-E912 CarbonylContact O-C 3.51Å; M909-E912 PolarHBondContact O-N 3.16Å; M909-G913 PolarHBondContact O-N 2.79Å; M909-M914 CarbonylContact C-O 3.56Å; M909-M914 HydrophobicContact CB-CB 3.97Å; M909-M914 CarbonylContact O-C 3.54Å; M909-M914 WeakPolarHBondContact O-CA 3.28Å; M909-M914 WeakPolarHBondContact O-CB 3.49Å; M909-M914 PolarHBondContact O-N 2.47Å; M909-E917 HydrophobicContact SD-CB 4.15Å; M909-L921 HydrophobicContact CE-CD2 4.37Å; M909-L921 HydrophobicContact SD-CD2 4.31Å |
| 910 | I | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 175.4 | -69.3 | 161.9 | 0 | 0 | 0 | 111.1 | S906 S907 L908 E912 G913 L919 I963 A966 L967 | S906-I910 WeakPolarHBondContact O-CD1 3.46Å; S906-I910 WeakPolarHBondContact O-CG1 3.16Å; S906-I910 PolarHBondContact O-N 2.96Å; S906-I910 VanDerWaalsContact O-N 3.1Å; S907-I910 PolarHBondContact O-N 3.41Å; L908-I910 VanDerWaalsContact C-N 3.31Å; L908-I910 PolarHBondContact O-N 3.04Å; I910-E912 PolarHBondContact O-N 2.62Å; I910-G913 PolarHBondContact O-N 3.34Å; I910-L919 HydrophobicContact CD1-CD2 4.02Å; I910-L919 HydrophobicContact CD1-CG 4.14Å; I910-I963 HydrophobicContact CD1-CG2 3.69Å; I910-A966 HydrophobicContact CB-CB 4.15Å; I910-A966 HydrophobicContact CG2-CB 3.91Å; I910-L967 HydrophobicContact CD1-CD2 4.25Å; I910-L967 HydrophobicContact CD1-CG 4.36Å; I910-L967 HydrophobicContact CG2-CD2 3.89Å; I910-L967 HydrophobicContact CG2-CG 4.23Å |
| 911 | A | 94 | Very high | 97.2 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -25.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R840 I841 S907 L908 M909 A966 | R840-A911 HydrophobicContact CG-CB 4.08Å; R840-A911 PolarHBondContact NH2-O 2.85Å; I841-A911 HydrophobicContact CG2-CB 3.99Å; S907-A911 WeakPolarHBondContact O-CB 3.29Å; S907-A911 PolarHBondContact O-N 3.5Å; L908-A911 PolarHBondContact O-N 3.35Å; M909-A911 PolarHBondContact O-N 2.9Å; A911-A966 HydrophobicContact CB-CB 4.37Å |
| 912 | E | 93.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.5 | 174.2 | -68.4 | -59.4 | 150.3 | 0 | 0 | 113.7 | Y836 R840 V855 L859 L908 M909 I910 | Y836-E912 WeakPolarHBondContact CE1-OE1 3.32Å; Y836-E912 PolarHBondContact OH-OE1 2.98Å; R840-E912 WeakPolarHBondContact CD-OE1 3.43Å; R840-E912 IonicContact NE-OE1 3.86Å; R840-E912 PolarHBondContact NE-OE1 3.15Å; V855-E912 HydrophobicContact CG1-CG 4Å; L859-E912 HydrophobicContact CD1-CB 4.21Å; L859-E912 HydrophobicContact CD1-CG 4.16Å; L908-E912 HydrophobicContact CD1-CG 4.04Å; L908-E912 PolarHBondContact O-N 2.79Å; M909-E912 CarbonylContact O-C 3.51Å; M909-E912 PolarHBondContact O-N 3.16Å; I910-E912 PolarHBondContact O-N 2.62Å |
| 913 | G | 91.5 | Very high | 97.2 | Very high | 53 Ų | 53 | 22 Ų | 22 | 55% | 0.546 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 3.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | M909 I910 I915 | M909-G913 PolarHBondContact O-N 2.79Å; I910-G913 PolarHBondContact O-N 3.34Å; G913-I915 PolarHBondContact O-N 2.7Å; G913-I915 VanDerWaalsContact O-N 3.16Å |
| 914 | M | 94.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 25 Ų | 25 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | trans | -87 | 59.2 | 172.7 | -57.6 | 175.5 | 64.5 | 0 | 0 | 109.9 | L859 M909 E917 G918 | L859-M914 HydrophobicContact CB-SD 4.09Å; L859-M914 HydrophobicContact CD1-SD 4.2Å; M909-M914 CarbonylContact C-O 3.56Å; M909-M914 HydrophobicContact CB-CB 3.97Å; M909-M914 CarbonylContact O-C 3.54Å; M909-M914 WeakPolarHBondContact O-CA 3.28Å; M909-M914 WeakPolarHBondContact O-CB 3.49Å; M909-M914 PolarHBondContact O-N 2.47Å; M914-E917 VanDerWaalsContact C-OE2 3.3Å; M914-E917 WeakPolarHBondContact CA-OE2 3.31Å; M914-E917 HydrophobicContact CB-CB 4.3Å; M914-E917 HydrophobicContact CE-CB 4.26Å; M914-E917 HydrophobicContact CE-CG 4.15Å; M914-G918 PolarHBondContact O-N 2.95Å | ||
| 915 | I | 94.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 21% | 0.21 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | -169 | -61.4 | 174.2 | 0 | 0 | 0 | 111.1 | G913 G918 L919 T970 | G913-I915 PolarHBondContact O-N 2.7Å; G913-I915 VanDerWaalsContact O-N 3.16Å; I915-G918 PolarHBondContact O-N 3.28Å; I915-L919 HydrophobicContact CG2-CD1 3.9Å; I915-L919 HydrophobicContact CG2-CG 4.47Å; I915-L919 WeakPolarHBondContact O-CB 3.36Å; I915-L919 WeakPolarHBondContact O-CG 3.3Å; I915-L919 PolarHBondContact O-N 3.19Å; I915-T970 HydrophobicContact CD1-CG2 4.16Å |
| 916 | D | 96 | Very high | 97.1 | Very high | 129 Ų | 129 | 25 Ų | 25 | 69% | 0.69 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -67.6 | -43 | -176.6 | -66.6 | -27.9 | 0 | 0 | 0 | 111 | A920 | D916-A920 WeakPolarHBondContact O-CB 3.46Å; D916-A920 PolarHBondContact O-N 3.37Å |
| 917 | E | 97.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 27.4 Ų | 27.4 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.2 | -60.9 | 92 | 150.3 | 0 | 0 | 111.6 | M909 M914 A920 L921 | M909-E917 HydrophobicContact SD-CB 4.15Å; M914-E917 VanDerWaalsContact C-OE2 3.3Å; M914-E917 WeakPolarHBondContact CA-OE2 3.31Å; M914-E917 HydrophobicContact CB-CB 4.3Å; M914-E917 HydrophobicContact CE-CB 4.26Å; M914-E917 HydrophobicContact CE-CG 4.15Å; E917-A920 PolarHBondContact O-N 2.98Å; E917-L921 PolarHBondContact O-N 2.95Å |
| 918 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S906 M914 I915 A920 L921 G922 | S906-G918 VanDerWaalsContact CB-O 3.23Å; S906-G918 WeakPolarHBondContact CB-O 3.16Å; S906-G918 VanDerWaalsContact OG-C 3.31Å; S906-G918 PolarHBondContact OG-O 2.95Å; M914-G918 PolarHBondContact O-N 2.95Å; I915-G918 PolarHBondContact O-N 3.28Å; G918-A920 VanDerWaalsContact C-N 3.35Å; G918-A920 PolarHBondContact O-N 3.05Å; G918-L921 PolarHBondContact O-N 3.44Å; G918-G922 PolarHBondContact O-N 3.26Å; G918-G922 VanDerWaalsContact O-N 3.13Å |
| 919 | L | 98.5 | Very high | 97 | Very high | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.4 | -71.5 | 173.2 | 0 | 0 | 0 | 111.8 | P491 W493 I910 I915 L921 G922 E923 I963 | P491-L919 HydrophobicContact CG-CD1 4.28Å; P491-L919 HydrophobicContact CG-CD2 4.36Å; W493-L919 HydrophobicContact CZ2-CB 4.43Å; W493-L919 HydrophobicContact CZ2-CD2 4.2Å; W493-L919 WeakPolarHBondContact CZ2-O 3.23Å; I910-L919 HydrophobicContact CD1-CD2 4.02Å; I910-L919 HydrophobicContact CD1-CG 4.14Å; I915-L919 HydrophobicContact CG2-CD1 3.9Å; I915-L919 HydrophobicContact CG2-CG 4.47Å; I915-L919 WeakPolarHBondContact O-CB 3.36Å; I915-L919 WeakPolarHBondContact O-CG 3.3Å; I915-L919 PolarHBondContact O-N 3.19Å; L919-L921 PolarHBondContact O-N 3.24Å; L919-G922 PolarHBondContact O-N 2.81Å; L919-E923 WeakPolarHBondContact O-CB 3.37Å; L919-E923 PolarHBondContact O-N 2.89Å; L919-I963 HydrophobicContact CD2-CG2 4.48Å |
| 920 | A | 98.7 | Very high | 96.9 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W867 D916 E917 G918 E923 K924 | W867-A920 HydrophobicContact CH2-CB 3.79Å; W867-A920 HydrophobicContact CZ2-CB 4.33Å; D916-A920 WeakPolarHBondContact O-CB 3.46Å; D916-A920 PolarHBondContact O-N 3.37Å; E917-A920 PolarHBondContact O-N 2.98Å; G918-A920 VanDerWaalsContact C-N 3.35Å; G918-A920 PolarHBondContact O-N 3.05Å; A920-E923 WeakPolarHBondContact O-CB 3.47Å; A920-E923 PolarHBondContact O-N 3.44Å; A920-K924 WeakPolarHBondContact O-CG 3.38Å; A920-K924 PolarHBondContact O-N 3.26Å; A920-K924 VanDerWaalsContact O-N 3.08Å |
| 921 | L | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.6 | 177.4 | 60.2 | 0 | 0 | 0 | 111.6 | W867 A877 N902 L905 M909 E917 G918 L919 E923 K924 C925 | W867-L921 HydrophobicContact CD2-CD1 3.83Å; W867-L921 HydrophobicContact CE3-CB 4.36Å; W867-L921 HydrophobicContact CE3-CD1 4.24Å; W867-L921 HydrophobicContact CG-CD1 3.98Å; W867-L921 HydrophobicContact CH2-CB 4.06Å; W867-L921 HydrophobicContact CZ2-CB 4.32Å; W867-L921 HydrophobicContact CZ3-CB 4.08Å; A877-L921 HydrophobicContact CB-CD1 4.09Å; N902-L921 WeakPolarHBondContact OD1-CD1 3.34Å; L905-L921 HydrophobicContact CB-CD2 3.61Å; L905-L921 HydrophobicContact CD1-CD2 4.38Å; M909-L921 HydrophobicContact CE-CD2 4.37Å; M909-L921 HydrophobicContact SD-CD2 4.31Å; E917-L921 PolarHBondContact O-N 2.95Å; G918-L921 PolarHBondContact O-N 3.44Å; L919-L921 PolarHBondContact O-N 3.24Å; L921-E923 VanDerWaalsContact C-N 3.32Å; L921-E923 PolarHBondContact O-N 2.61Å; L921-K924 PolarHBondContact O-N 3.44Å; L921-C925 PolarHBondContact O-N 3.16Å; L921-C925 VanDerWaalsContact O-N 3.16Å |
| 922 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W493 G918 L919 K924 C925 Y926 | W493-G922 VanDerWaalsContact CH2-C 3.43Å; G918-G922 PolarHBondContact O-N 3.26Å; G918-G922 VanDerWaalsContact O-N 3.13Å; L919-G922 PolarHBondContact O-N 2.81Å; G922-K924 PolarHBondContact O-N 3.46Å; G922-C925 PolarHBondContact O-N 2.59Å; G922-Y926 PolarHBondContact O-N 3.37Å |
| 923 | E | 98.7 | Very high | 97 | Very high | 56 Ų | 56 | 32 Ų | 32 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 175.8 | -172.3 | -175.7 | -125.4 | 0 | 0 | 111.5 | W493 L919 A920 L921 C925 Y926 D927 | W493-E923 HydrophobicContact CB-CG 4.35Å; W493-E923 HydrophobicContact CD2-CB 3.8Å; W493-E923 HydrophobicContact CD2-CG 3.93Å; W493-E923 HydrophobicContact CE3-CB 4.41Å; W493-E923 HydrophobicContact CG-CB 4.1Å; W493-E923 HydrophobicContact CG-CG 3.71Å; W493-E923 HydrophobicContact CZ2-CB 3.99Å; L919-E923 WeakPolarHBondContact O-CB 3.37Å; L919-E923 PolarHBondContact O-N 2.89Å; A920-E923 WeakPolarHBondContact O-CB 3.47Å; A920-E923 PolarHBondContact O-N 3.44Å; L921-E923 VanDerWaalsContact C-N 3.32Å; L921-E923 PolarHBondContact O-N 2.61Å; E923-C925 VanDerWaalsContact C-N 3.3Å; E923-C925 PolarHBondContact O-N 2.88Å; E923-Y926 PolarHBondContact O-N 3.06Å; E923-D927 WeakPolarHBondContact O-CB 3.36Å; E923-D927 PolarHBondContact O-N 3.48Å |
| 924 | K | 98.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.5 | -35.9 | -178.3 | -61 | -42.8 | 172 | -142.2 | 0 | 112.6 | W867 A920 L921 G922 T928 | W867-K924 HydrophobicContact CZ2-CG 4.17Å; A920-K924 WeakPolarHBondContact O-CG 3.38Å; A920-K924 PolarHBondContact O-N 3.26Å; A920-K924 VanDerWaalsContact O-N 3.08Å; L921-K924 PolarHBondContact O-N 3.44Å; G922-K924 PolarHBondContact O-N 3.46Å; K924-T928 VanDerWaalsContact O-CB 3.25Å; K924-T928 WeakPolarHBondContact O-CB 3.46Å; K924-T928 PolarHBondContact O-N 3.44Å; K924-T928 VanDerWaalsContact O-N 3.08Å; K924-T928 PolarHBondContact O-OG1 3.19Å |
| 925 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -53.5 | 172.3 | -172 | 0 | 0 | 0 | 0 | 110.8 | N902 Y903 L921 G922 E923 T928 I929 | N902-C925 HydrophobicContact CB-CB 3.86Å; Y903-C925 HydrophobicContact CE1-CB 4.24Å; L921-C925 PolarHBondContact O-N 3.16Å; L921-C925 VanDerWaalsContact O-N 3.16Å; G922-C925 PolarHBondContact O-N 2.59Å; E923-C925 VanDerWaalsContact C-N 3.3Å; E923-C925 PolarHBondContact O-N 2.88Å; C925-T928 PolarHBondContact O-N 3.04Å; C925-I929 WeakPolarHBondContact O-CD1 3.22Å; C925-I929 WeakPolarHBondContact O-CG1 3.23Å; C925-I929 PolarHBondContact O-N 2.9Å; C925-I929 VanDerWaalsContact O-N 3.13Å |
| 926 | Y | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | -179.7 | 173.9 | -102.9 | 0 | 0 | 0 | 112.5 | W493 A497 G922 E923 T928 I929 Y930 | W493-Y926 HydrophobicContact CB-CD1 4.43Å; W493-Y926 HydrophobicContact CE3-CD1 4.12Å; W493-Y926 HydrophobicContact CE3-CG 4.17Å; A497-Y926 HydrophobicContact CB-CD1 4.29Å; A497-Y926 HydrophobicContact CB-CD2 3.37Å; A497-Y926 HydrophobicContact CB-CE1 4.41Å; A497-Y926 HydrophobicContact CB-CE2 3.54Å; A497-Y926 HydrophobicContact CB-CG 3.78Å; G922-Y926 PolarHBondContact O-N 3.37Å; E923-Y926 PolarHBondContact O-N 3.06Å; Y926-T928 VanDerWaalsContact C-N 3.29Å; Y926-T928 PolarHBondContact O-N 3.36Å; Y926-I929 PolarHBondContact O-N 3.08Å; Y926-Y930 AromaticContact CD2-CD2 3.66Å; Y926-Y930 HydrophobicContact CD2-CD2 3.66Å; Y926-Y930 HydrophobicContact CD2-CE2 4.05Å; Y926-Y930 HydrophobicContact CD2-CG 4.02Å; Y926-Y930 AromaticContact CE2-CD1 3.65Å; Y926-Y930 HydrophobicContact CE2-CD1 3.65Å; Y926-Y930 AromaticContact CE2-CD2 3.4Å; Y926-Y930 HydrophobicContact CE2-CD2 3.4Å; Y926-Y930 AromaticContact CE2-CE1 3.96Å; Y926-Y930 HydrophobicContact CE2-CE1 3.96Å; Y926-Y930 AromaticContact CE2-CE2 3.72Å; Y926-Y930 HydrophobicContact CE2-CE2 3.72Å; Y926-Y930 AromaticContact CE2-CG 3.38Å; Y926-Y930 HydrophobicContact CE2-CG 3.38Å; Y926-Y930 AromaticContact CE2-CZ 4Å; Y926-Y930 AromaticContact CZ-CD1 3.85Å; Y926-Y930 AromaticContact CZ-CG 3.74Å; Y926-Y930 PolarHBondContact O-N 2.94Å; Y926-Y930 WeakPolarHBondContact OH-CD1 3.22Å |
| 927 | D | 97.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 20.3 Ų | 20.3 | 27% | 0.267 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -62.5 | -36.6 | -179.6 | -86.5 | -19.8 | 0 | 0 | 0 | 112.2 | E923 I929 N931 L932 | E923-D927 WeakPolarHBondContact O-CB 3.36Å; E923-D927 PolarHBondContact O-N 3.48Å; D927-I929 VanDerWaalsContact C-N 3.35Å; D927-N931 CarbonylContact O-C 3.54Å; D927-N931 WeakPolarHBondContact O-CA 3.12Å; D927-N931 WeakPolarHBondContact O-CB 3.25Å; D927-N931 PolarHBondContact O-N 2.99Å; D927-N931 PolarHBondContact OD1-ND2 3.31Å; D927-L932 PolarHBondContact O-N 3.22Å |
| 928 | T | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -62 | -47.3 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | I875 K924 C925 Y926 L932 Y933 Y943 | I875-T928 WeakPolarHBondContact CA-OG1 3.18Å; I875-T928 HydrophobicContact CB-CG2 4.26Å; I875-T928 HydrophobicContact CG2-CG2 4.18Å; K924-T928 VanDerWaalsContact O-CB 3.25Å; K924-T928 WeakPolarHBondContact O-CB 3.46Å; K924-T928 PolarHBondContact O-N 3.44Å; K924-T928 VanDerWaalsContact O-N 3.08Å; K924-T928 PolarHBondContact O-OG1 3.19Å; C925-T928 PolarHBondContact O-N 3.04Å; Y926-T928 VanDerWaalsContact C-N 3.29Å; Y926-T928 PolarHBondContact O-N 3.36Å; T928-L932 HydrophobicContact CG2-CD2 4.49Å; T928-L932 WeakPolarHBondContact O-CB 3.14Å; T928-L932 PolarHBondContact O-N 3.44Å; T928-Y933 HydrophobicContact CG2-CD1 4.43Å; T928-Y933 HydrophobicContact CG2-CD2 3.81Å; T928-Y933 HydrophobicContact CG2-CE1 4.3Å; T928-Y933 HydrophobicContact CG2-CE2 3.67Å; T928-Y933 HydrophobicContact CG2-CG 4.2Å; T928-Y933 VanDerWaalsContact O-CB 3.22Å; T928-Y933 WeakPolarHBondContact O-CB 3.21Å; T928-Y933 PolarHBondContact O-N 2.64Å; T928-Y943 HydrophobicContact CG2-CD2 3.92Å; T928-Y943 HydrophobicContact CG2-CE2 3.64Å |
| 929 | I | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -70.9 | -58.9 | -176.4 | -64.4 | 159.4 | 0 | 0 | 0 | 110.5 | V899 C925 Y926 D927 G934 L935 T939 Y943 | V899-I929 HydrophobicContact CG1-CD1 4.2Å; V899-I929 HydrophobicContact CG2-CD1 3.69Å; C925-I929 WeakPolarHBondContact O-CD1 3.22Å; C925-I929 WeakPolarHBondContact O-CG1 3.23Å; C925-I929 PolarHBondContact O-N 2.9Å; C925-I929 VanDerWaalsContact O-N 3.13Å; Y926-I929 PolarHBondContact O-N 3.08Å; D927-I929 VanDerWaalsContact C-N 3.35Å; I929-G934 PolarHBondContact O-N 3.07Å; I929-L935 HydrophobicContact CG2-CB 3.8Å; I929-L935 WeakPolarHBondContact O-CA 3.45Å; I929-L935 WeakPolarHBondContact O-CB 3.38Å; I929-L935 PolarHBondContact O-N 3.29Å; I929-T939 HydrophobicContact CD1-CG2 4.18Å; I929-T939 HydrophobicContact CG2-CG2 4.28Å; I929-Y943 HydrophobicContact CD1-CD1 4.39Å; I929-Y943 HydrophobicContact CD1-CE1 3.95Å; I929-Y943 HydrophobicContact CG1-CD1 4.12Å; I929-Y943 HydrophobicContact CG1-CE1 3.96Å |
| 930 | Y | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -75 | -43 | -172.1 | -85.8 | -116.4 | 0 | 0 | 0 | 112.4 | W23 N500 E501 Y926 Q936 Y937 | W23-Y930 HydrophobicContact CB-CD1 4.41Å; W23-Y930 AromaticContact CD1-CD1 3.71Å; W23-Y930 HydrophobicContact CG-CD1 4Å; N500-Y930 HydrophobicContact CB-CE1 4.23Å; E501-Y930 PolarHBondContact OE2-OH 3.5Å; Y926-Y930 AromaticContact CD2-CD2 3.66Å; Y926-Y930 HydrophobicContact CD2-CD2 3.66Å; Y926-Y930 HydrophobicContact CD2-CE2 4.05Å; Y926-Y930 HydrophobicContact CD2-CG 4.02Å; Y926-Y930 AromaticContact CE2-CD1 3.65Å; Y926-Y930 HydrophobicContact CE2-CD1 3.65Å; Y926-Y930 AromaticContact CE2-CD2 3.4Å; Y926-Y930 HydrophobicContact CE2-CD2 3.4Å; Y926-Y930 AromaticContact CE2-CE1 3.96Å; Y926-Y930 HydrophobicContact CE2-CE1 3.96Å; Y926-Y930 AromaticContact CE2-CE2 3.72Å; Y926-Y930 HydrophobicContact CE2-CE2 3.72Å; Y926-Y930 AromaticContact CE2-CG 3.38Å; Y926-Y930 HydrophobicContact CE2-CG 3.38Å; Y926-Y930 AromaticContact CE2-CZ 4Å; Y926-Y930 AromaticContact CZ-CD1 3.85Å; Y926-Y930 AromaticContact CZ-CG 3.74Å; Y926-Y930 PolarHBondContact O-N 2.94Å; Y926-Y930 WeakPolarHBondContact OH-CD1 3.22Å; Y930-Q936 HydrophobicContact CD1-CB 3.24Å; Y930-Q936 HydrophobicContact CD2-CB 4.48Å; Y930-Q936 HydrophobicContact CE1-CB 3.63Å; Y930-Q936 HydrophobicContact CG-CB 3.72Å; Y930-Q936 PolarHBondContact O-OE1 3.37Å; Y930-Y937 HydrophobicContact CE1-CD2 4.42Å; Y930-Y937 HydrophobicContact CE1-CE2 4.32Å |
| 931 | N | 95 | Very high | 97.5 | Very high | 64 Ų | 64 | 14.6 Ų | 14.6 | 34% | 0.342 | 7% | 0.072 | S | C | . | . | I | π-helix | trans | -104.2 | -39.9 | -165.4 | -62.7 | -36.7 | 0 | 0 | 0 | 113.2 | W23 D927 | W23-N931 PolarHBondContact NE1-OD1 2.89Å; W23-N931 VanDerWaalsContact NE1-OD1 3.12Å; D927-N931 CarbonylContact O-C 3.54Å; D927-N931 WeakPolarHBondContact O-CA 3.12Å; D927-N931 WeakPolarHBondContact O-CB 3.25Å; D927-N931 PolarHBondContact O-N 2.99Å; D927-N931 PolarHBondContact OD1-ND2 3.31Å |
| 932 | L | 95.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 14.6 Ų | 14.6 | 26% | 0.257 | 7% | 0.072 | S | C | . | . | I | π-helix | trans | -83.6 | -47.6 | -177.5 | -173.2 | 61.3 | 0 | 0 | 0 | 112.3 | K32 I33 I875 D927 T928 | K32-L932 HydrophobicContact CB-CD1 4.37Å; K32-L932 HydrophobicContact CD-CD1 4.48Å; I33-L932 HydrophobicContact CD1-CD1 3.71Å; I33-L932 HydrophobicContact CD1-CD2 4.08Å; I33-L932 HydrophobicContact CD1-CG 3.79Å; I33-L932 HydrophobicContact CG1-CD1 4.03Å; I33-L932 HydrophobicContact CG1-CG 4.35Å; I875-L932 HydrophobicContact CG2-CD2 4.37Å; D927-L932 PolarHBondContact O-N 3.22Å; T928-L932 HydrophobicContact CG2-CD2 4.49Å; T928-L932 WeakPolarHBondContact O-CB 3.14Å; T928-L932 PolarHBondContact O-N 3.44Å |
| 933 | Y | 96.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -96 | -8.3 | -173.4 | -72.8 | -0.5 | 0 | 0 | 0 | 114.1 | I33 C35 W82 T928 L935 Y943 M944 G947 | I33-Y933 HydrophobicContact CB-CD1 4.19Å; I33-Y933 HydrophobicContact CB-CE1 4.45Å; I33-Y933 HydrophobicContact CD1-CD1 4.34Å; I33-Y933 HydrophobicContact CD1-CE1 3.92Å; I33-Y933 HydrophobicContact CG2-CD1 4.19Å; I33-Y933 HydrophobicContact CG2-CE1 4.18Å; C35-Y933 WeakPolarHBondContact SG-CB 3.46Å; C35-Y933 PolarHBondContact SG-O 2.94Å; W82-Y933 PolarHBondContact NE1-O 2.83Å; T928-Y933 HydrophobicContact CG2-CD1 4.43Å; T928-Y933 HydrophobicContact CG2-CD2 3.81Å; T928-Y933 HydrophobicContact CG2-CE1 4.3Å; T928-Y933 HydrophobicContact CG2-CE2 3.67Å; T928-Y933 HydrophobicContact CG2-CG 4.2Å; T928-Y933 VanDerWaalsContact O-CB 3.22Å; T928-Y933 WeakPolarHBondContact O-CB 3.21Å; T928-Y933 PolarHBondContact O-N 2.64Å; Y933-L935 VanDerWaalsContact C-N 3.28Å; Y933-L935 HydrophobicContact CD2-CD1 4.42Å; Y933-L935 PolarHBondContact O-N 3.36Å; Y933-Y943 AromaticContact CE2-CD2 3.86Å; Y933-Y943 HydrophobicContact CE2-CD2 3.86Å; Y933-Y943 HydrophobicContact CE2-CG 4.24Å; Y933-M944 PolarHBondContact OH-O 2.91Å; Y933-G947 PolarHBondContact OH-N 3.19Å |
| 934 | G | 96.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | 63.4 | 36 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C31 P84 I929 Q936 Q938 | C31-G934 VanDerWaalsContact SG-CA 3.55Å; P84-G934 VanDerWaalsContact CA-O 3.29Å; P84-G934 WeakPolarHBondContact CA-O 3.3Å; P84-G934 VanDerWaalsContact CB-O 3.27Å; P84-G934 WeakPolarHBondContact CB-O 3.44Å; I929-G934 PolarHBondContact O-N 3.07Å; G934-Q936 PolarHBondContact O-OE1 3.01Å; G934-Q938 PolarHBondContact O-NE2 3.13Å | ||
| 935 | L | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -102.9 | 22.8 | 177.9 | -66.1 | 171.7 | 0 | 0 | 0 | 112 | I929 Y933 Y937 Q938 T939 P940 F949 | I929-L935 HydrophobicContact CG2-CB 3.8Å; I929-L935 WeakPolarHBondContact O-CA 3.45Å; I929-L935 WeakPolarHBondContact O-CB 3.38Å; I929-L935 PolarHBondContact O-N 3.29Å; Y933-L935 VanDerWaalsContact C-N 3.28Å; Y933-L935 HydrophobicContact CD2-CD1 4.42Å; Y933-L935 PolarHBondContact O-N 3.36Å; L935-Y937 PolarHBondContact O-N 3.08Å; L935-Q938 VanDerWaalsContact C-CG 3.44Å; L935-Q938 VanDerWaalsContact CA-CG 3.46Å; L935-Q938 HydrophobicContact CB-CG 3.98Å; L935-Q938 HydrophobicContact CD2-CG 3.84Å; L935-Q938 CarbonylContact O-C 3.54Å; L935-Q938 VanDerWaalsContact O-C 3.29Å; L935-Q938 VanDerWaalsContact O-CG 3.24Å; L935-Q938 WeakPolarHBondContact O-CG 3.19Å; L935-Q938 PolarHBondContact O-N 2.86Å; L935-Q938 VanDerWaalsContact O-N 3.08Å; L935-T939 PolarHBondContact O-N 3.34Å; L935-P940 HydrophobicContact CD1-CG 3.94Å; L935-F949 HydrophobicContact CD1-CB 4.19Å; L935-F949 HydrophobicContact CD1-CD1 4.28Å; L935-F949 HydrophobicContact CD1-CG 4.18Å; L935-F949 HydrophobicContact CD2-CD1 4.4Å; L935-F949 HydrophobicContact CD2-CE1 4.35Å; L935-F949 HydrophobicContact CD2-CZ 4.45Å | ||
| 936 | Q | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 135.6 | 172.9 | 71 | -78.7 | 10.1 | 0 | 0 | 111.4 | W23 Y86 Y930 G934 Q938 | W23-Q936 HydrophobicContact CD2-CB 4.29Å; W23-Q936 HydrophobicContact CD2-CG 4.15Å; W23-Q936 HydrophobicContact CE3-CG 4.21Å; W23-Q936 HydrophobicContact CH2-CG 3.65Å; W23-Q936 VanDerWaalsContact CH2-NE2 3.27Å; W23-Q936 HydrophobicContact CZ2-CB 4.22Å; W23-Q936 HydrophobicContact CZ2-CG 3.58Å; W23-Q936 HydrophobicContact CZ3-CG 3.97Å; Y86-Q936 WeakPolarHBondContact O-CG 3.49Å; Y930-Q936 HydrophobicContact CD1-CB 3.24Å; Y930-Q936 HydrophobicContact CD2-CB 4.48Å; Y930-Q936 HydrophobicContact CE1-CB 3.63Å; Y930-Q936 HydrophobicContact CG-CB 3.72Å; Y930-Q936 PolarHBondContact O-OE1 3.37Å; G934-Q936 PolarHBondContact O-OE1 3.01Å; Q936-Q938 PolarHBondContact O-N 2.9Å |
| 937 | Y | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 27.4 | -175.6 | -52.1 | -79.4 | 0 | 0 | 0 | 113.8 | W23 G87 V88 R108 G171 N500 Y503 Y930 L935 | W23-Y937 HydrophobicContact CE3-CE2 4.18Å; G87-Y937 VanDerWaalsContact C-CD2 3.49Å; G87-Y937 WeakPolarHBondContact O-CB 3.41Å; V88-Y937 HydrophobicContact CB-CE1 4.45Å; V88-Y937 HydrophobicContact CG2-CD1 4.43Å; V88-Y937 HydrophobicContact CG2-CE1 3.54Å; V88-Y937 HydrophobicContact CG2-CE2 4.37Å; V88-Y937 VanDerWaalsContact CG2-CZ 3.49Å; V88-Y937 VanDerWaalsContact CG2-OH 3.3Å; V88-Y937 WeakPolarHBondContact CG2-OH 3.2Å; R108-Y937 VanDerWaalsContact CZ-O 3.23Å; R108-Y937 PolarHBondContact NH1-O 3.31Å; R108-Y937 PolarHBondContact NH2-O 3.28Å; G171-Y937 VanDerWaalsContact C-OH 3.31Å; G171-Y937 VanDerWaalsContact CA-OH 3.32Å; G171-Y937 WeakPolarHBondContact CA-OH 3.25Å; G171-Y937 PolarHBondContact O-OH 3.14Å; N500-Y937 HydrophobicContact CB-CE1 3.95Å; N500-Y937 PolarHBondContact ND2-OH 3Å; N500-Y937 PolarHBondContact OD1-OH 2.84Å; Y503-Y937 HydrophobicContact CD1-CD1 4.2Å; Y503-Y937 HydrophobicContact CD2-CD1 4.5Å; Y503-Y937 WeakPolarHBondContact CE2-O 3.45Å; Y503-Y937 AromaticContact CG-CD1 3.89Å; Y503-Y937 HydrophobicContact CG-CD1 3.89Å; Y930-Y937 HydrophobicContact CE1-CD2 4.42Å; Y930-Y937 HydrophobicContact CE1-CE2 4.32Å; L935-Y937 PolarHBondContact O-N 3.08Å |
| 938 | Q | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | trans | -151.8 | 31.8 | 170.6 | 62.2 | -178.4 | -26.9 | 0 | 0 | 110.3 | R83 Y86 Y503 G934 L935 Q936 P940 P952 G953 | R83-Q938 PolarHBondContact O-NE2 2.86Å; Y86-Q938 HydrophobicContact CD2-CB 4.16Å; Y86-Q938 VanDerWaalsContact CD2-CD 3.42Å; Y86-Q938 HydrophobicContact CD2-CG 4.11Å; Y503-Q938 VanDerWaalsContact OH-CA 3.24Å; Y503-Q938 WeakPolarHBondContact OH-CA 2.97Å; Y503-Q938 PolarHBondContact OH-N 3.46Å; G934-Q938 PolarHBondContact O-NE2 3.13Å; L935-Q938 VanDerWaalsContact C-CG 3.44Å; L935-Q938 VanDerWaalsContact CA-CG 3.46Å; L935-Q938 HydrophobicContact CB-CG 3.98Å; L935-Q938 HydrophobicContact CD2-CG 3.84Å; L935-Q938 CarbonylContact O-C 3.54Å; L935-Q938 VanDerWaalsContact O-C 3.29Å; L935-Q938 VanDerWaalsContact O-CG 3.24Å; L935-Q938 WeakPolarHBondContact O-CG 3.19Å; L935-Q938 PolarHBondContact O-N 2.86Å; L935-Q938 VanDerWaalsContact O-N 3.08Å; Q936-Q938 PolarHBondContact O-N 2.9Å; Q938-P940 VanDerWaalsContact O-N 3.14Å; Q938-P952 HydrophobicContact CB-CB 4.29Å; Q938-G953 PolarHBondContact O-N 3.21Å | ||
| 939 | T | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -40.2 | 118 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | E501 Y503 V899 I929 L935 G953 Y954 A957 | E501-T939 PolarHBondContact OE1-OG1 3.47Å; E501-T939 WeakPolarHBondContact OE2-CB 3.14Å; E501-T939 PolarHBondContact OE2-OG1 2.94Å; Y503-T939 PolarHBondContact OH-N 3.03Å; V899-T939 HydrophobicContact CB-CG2 4.42Å; V899-T939 HydrophobicContact CG1-CG2 3.81Å; V899-T939 HydrophobicContact CG2-CG2 4.02Å; I929-T939 HydrophobicContact CD1-CG2 4.18Å; I929-T939 HydrophobicContact CG2-CG2 4.28Å; L935-T939 PolarHBondContact O-N 3.34Å; T939-G953 WeakPolarHBondContact O-CA 3.37Å; T939-G953 PolarHBondContact O-N 2.88Å; T939-G953 VanDerWaalsContact O-N 3.11Å; T939-Y954 PolarHBondContact O-N 3.35Å; T939-A957 HydrophobicContact CG2-CB 3.67Å | ||
| 940 | P | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -79.8 | 170.6 | -171.6 | 34.6 | -37.9 | 0 | 0 | 0 | 111.5 | V899 L935 Q938 A942 Y943 F949 R950 C951 | V899-P940 WeakPolarHBondContact CG2-O 3.4Å; L935-P940 HydrophobicContact CD1-CG 3.94Å; Q938-P940 VanDerWaalsContact O-N 3.14Å; P940-A942 VanDerWaalsContact C-N 3.3Å; P940-Y943 HydrophobicContact CG-CD1 4.45Å; P940-F949 HydrophobicContact CB-CB 4.11Å; P940-F949 HydrophobicContact CB-CD2 4.35Å; P940-F949 HydrophobicContact CG-CB 4.36Å; P940-R950 VanDerWaalsContact CB-O 3.32Å; P940-R950 WeakPolarHBondContact CB-O 3.47Å; P940-C951 CarbonylContact C-O 3.54Å; P940-C951 VanDerWaalsContact CA-O 3.28Å; P940-C951 WeakPolarHBondContact CA-O 3.23Å | ||
| 941 | E | 97.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -56.3 | -50.9 | 164.9 | -178.8 | -155.8 | 160 | 0 | 0 | 110.7 | Y589 R950 C951 Y954 R956 | Y589-E941 WeakPolarHBondContact CE2-OE2 3.39Å; Y589-E941 PolarHBondContact OH-OE2 3.33Å; E941-R950 HydrophobicContact CB-CB 4.41Å; E941-R950 WeakPolarHBondContact CB-O 3.28Å; E941-R950 PolarHBondContact N-O 3.02Å; E941-R950 VanDerWaalsContact N-O 3.09Å; E941-R950 IonicContact OE1-CZ 3.8Å; E941-R950 IonicContact OE1-NE 2.62Å; E941-R950 IonicContact OE1-NH2 4Å; E941-R950 PolarHBondContact OE1-NH2 3.11Å; E941-R950 WeakPolarHBondContact OE2-CB 3.22Å; E941-R950 IonicContact OE2-CZ 3.45Å; E941-R950 IonicContact OE2-NE 3.81Å; E941-R950 PolarHBondContact OE2-NE 3.02Å; E941-R950 IonicContact OE2-NH2 2.85Å; E941-C951 HydrophobicContact CB-CB 4.18Å; E941-C951 PolarHBondContact N-O 2.81Å; E941-Y954 HydrophobicContact CB-CD1 3.97Å; E941-Y954 HydrophobicContact CB-CD2 3.56Å; E941-Y954 HydrophobicContact CB-CE1 4.11Å; E941-Y954 HydrophobicContact CB-CE2 3.66Å; E941-Y954 HydrophobicContact CB-CG 3.71Å; E941-Y954 HydrophobicContact CG-CD1 4.21Å; E941-Y954 HydrophobicContact CG-CD2 4.17Å; E941-Y954 HydrophobicContact CG-CE1 3.85Å; E941-Y954 HydrophobicContact CG-CE2 3.75Å; E941-Y954 HydrophobicContact CG-CG 4.37Å; E941-R956 IonicContact OE1-NH1 2.75Å |
| 942 | A | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 151.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E896 F897 W898 P940 F949 R950 | E896-A942 HydrophobicContact CB-CB 4.14Å; E896-A942 HydrophobicContact CG-CB 4.17Å; F897-A942 WeakPolarHBondContact O-CA 3.47Å; W898-A942 VanDerWaalsContact CD1-CB 3.42Å; P940-A942 VanDerWaalsContact C-N 3.3Å; A942-F949 CarbonylContact O-C 2.94Å; A942-F949 VanDerWaalsContact O-CA 3.29Å; A942-F949 WeakPolarHBondContact O-CA 3.42Å; A942-F949 WeakPolarHBondContact O-CB 3.25Å; A942-R950 HydrophobicContact CB-CB 4.47Å; A942-R950 PolarHBondContact O-N 3.41Å |
| 943 | Y | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.3 | 169.9 | 58.6 | -85.8 | 0 | 0 | 0 | 110.9 | I875 F897 V899 T928 I929 Y933 P940 R948 | I875-Y943 WeakPolarHBondContact O-CE2 3.43Å; I875-Y943 PolarHBondContact O-OH 2.62Å; F897-Y943 HydrophobicContact CB-CD1 4.22Å; F897-Y943 HydrophobicContact CB-CD2 3.72Å; F897-Y943 HydrophobicContact CB-CE1 3.89Å; F897-Y943 HydrophobicContact CB-CE2 3.35Å; F897-Y943 HydrophobicContact CB-CG 4.14Å; F897-Y943 VanDerWaalsContact CB-CZ 3.45Å; F897-Y943 HydrophobicContact CD1-CE2 4.22Å; F897-Y943 HydrophobicContact CD2-CD2 4.34Å; F897-Y943 HydrophobicContact CD2-CE2 4.33Å; F897-Y943 WeakPolarHBondContact CD2-O 3.32Å; F897-Y943 HydrophobicContact CG-CD2 4.13Å; F897-Y943 AromaticContact CG-CE2 3.72Å; F897-Y943 HydrophobicContact CG-CE2 3.72Å; F897-Y943 PolarHBondContact N-O 3.4Å; F897-Y943 WeakPolarHBondContact O-CD1 3.5Å; F897-Y943 PolarHBondContact O-N 2.92Å; V899-Y943 HydrophobicContact CG2-CD1 4.38Å; V899-Y943 HydrophobicContact CG2-CE1 4.25Å; T928-Y943 HydrophobicContact CG2-CD2 3.92Å; T928-Y943 HydrophobicContact CG2-CE2 3.64Å; I929-Y943 HydrophobicContact CD1-CD1 4.39Å; I929-Y943 HydrophobicContact CD1-CE1 3.95Å; I929-Y943 HydrophobicContact CG1-CD1 4.12Å; I929-Y943 HydrophobicContact CG1-CE1 3.96Å; Y933-Y943 AromaticContact CE2-CD2 3.86Å; Y933-Y943 HydrophobicContact CE2-CD2 3.86Å; Y933-Y943 HydrophobicContact CE2-CG 4.24Å; P940-Y943 HydrophobicContact CG-CD1 4.45Å; Y943-R948 CarbonylContact C-O 3.52Å; Y943-R948 WeakPolarHBondContact CA-O 3.49Å |
| 944 | M | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 10 Ų | 10 | 4% | 0.039 | 5% | 0.052 | C | C | . | . | trans | -121.1 | 162.5 | 177.9 | -56.9 | -169.6 | 90.2 | 0 | 0 | 110.3 | F38 E895 E896 Y933 D946 G947 R948 | F38-M944 HydrophobicContact CD2-SD 3.76Å; F38-M944 HydrophobicContact CE2-SD 4.12Å; E895-M944 HydrophobicContact CB-CE 3.67Å; E896-M944 HydrophobicContact CG-CG 4.16Å; Y933-M944 PolarHBondContact OH-O 2.91Å; M944-D946 PolarHBondContact O-N 3.15Å; M944-G947 PolarHBondContact O-N 2.94Å; M944-R948 HydrophobicContact CB-CB 4.21Å; M944-R948 HydrophobicContact CG-CB 4.26Å; M944-R948 PolarHBondContact N-O 2.98Å; M944-R948 HydrophobicContact SD-CB 4.14Å; M944-R948 VanDerWaalsContact SD-CZ 3.56Å | ||
| 945 | S | 94.2 | Very high | 96.5 | Very high | 54 Ų | 54 | 10 Ų | 10 | 38% | 0.378 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8 | -177.7 | 70.8 | 0 | 0 | 0 | 0 | 115.6 | K871 I875 | K871-S945 WeakPolarHBondContact CE-OG 3.28Å; I875-S945 VanDerWaalsContact CD1-CB 3.47Å |
| 946 | D | 93.1 | Very high | 96.6 | Very high | 68 Ų | 68 | 10.2 Ų | 10.2 | 36% | 0.364 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 11.9 | 179.1 | 66 | 1.4 | 0 | 0 | 0 | 113.6 | M944 R948 | M944-D946 PolarHBondContact O-N 3.15Å; D946-R948 VanDerWaalsContact C-N 3.32Å; D946-R948 WeakPolarHBondContact OD1-CB 3.44Å; D946-R948 WeakPolarHBondContact OD1-CG 3.37Å; D946-R948 IonicContact OD1-CZ 3.2Å; D946-R948 PolarHBondContact OD1-N 2.9Å; D946-R948 VanDerWaalsContact OD1-N 3.09Å; D946-R948 IonicContact OD1-NE 3.56Å; D946-R948 PolarHBondContact OD1-NE 3.41Å; D946-R948 IonicContact OD1-NH2 3.65Å; D946-R948 IonicContact OD2-CZ 3.04Å; D946-R948 IonicContact OD2-NE 3.45Å; D946-R948 PolarHBondContact OD2-NE 3.3Å; D946-R948 IonicContact OD2-NH2 3.8Å; D946-R948 PolarHBondContact OD2-NH2 3.26Å |
| 947 | G | 94.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 80.2 | 7.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C35 R36 Y933 M944 | C35-G947 VanDerWaalsContact CA-O 3.23Å; C35-G947 WeakPolarHBondContact CA-O 3.46Å; C35-G947 WeakPolarHBondContact CB-O 3.49Å; R36-G947 PolarHBondContact N-O 2.97Å; Y933-G947 PolarHBondContact OH-N 3.19Å; M944-G947 PolarHBondContact O-N 2.94Å |
| 948 | R | 95.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 10.2 Ų | 10.2 | 13% | 0.128 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.4 | 165.1 | -72.2 | -178.5 | -70.4 | 157.4 | 3.4 | 111.2 | R36 F38 Y943 M944 D946 | R36-R948 HydrophobicContact CG-CG 3.91Å; R36-R948 WeakPolarHBondContact O-CA 3.49Å; F38-R948 VanDerWaalsContact CE2-NH1 3.32Å; Y943-R948 CarbonylContact C-O 3.52Å; Y943-R948 WeakPolarHBondContact CA-O 3.49Å; M944-R948 HydrophobicContact CB-CB 4.21Å; M944-R948 HydrophobicContact CG-CB 4.26Å; M944-R948 PolarHBondContact N-O 2.98Å; M944-R948 HydrophobicContact SD-CB 4.14Å; M944-R948 VanDerWaalsContact SD-CZ 3.56Å; D946-R948 VanDerWaalsContact C-N 3.32Å; D946-R948 WeakPolarHBondContact OD1-CB 3.44Å; D946-R948 WeakPolarHBondContact OD1-CG 3.37Å; D946-R948 IonicContact OD1-CZ 3.2Å; D946-R948 PolarHBondContact OD1-N 2.9Å; D946-R948 VanDerWaalsContact OD1-N 3.09Å; D946-R948 IonicContact OD1-NE 3.56Å; D946-R948 PolarHBondContact OD1-NE 3.41Å; D946-R948 IonicContact OD1-NH2 3.65Å; D946-R948 IonicContact OD2-CZ 3.04Å; D946-R948 IonicContact OD2-NE 3.45Å; D946-R948 PolarHBondContact OD2-NE 3.3Å; D946-R948 IonicContact OD2-NH2 3.8Å; D946-R948 PolarHBondContact OD2-NH2 3.26Å |
| 949 | F | 96.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 158.1 | 175.5 | 65 | -87.1 | 0 | 0 | 0 | 111.8 | C35 R36 P37 F38 W82 L935 P940 A942 P952 | C35-F949 HydrophobicContact CB-CD1 4.01Å; C35-F949 HydrophobicContact CB-CE1 4.02Å; R36-F949 VanDerWaalsContact O-CD1 3.31Å; R36-F949 WeakPolarHBondContact O-CD1 3.3Å; R36-F949 WeakPolarHBondContact O-CE1 3.23Å; R36-F949 PolarHBondContact O-N 3.3Å; P37-F949 CarbonylContact C-O 3.56Å; P37-F949 WeakPolarHBondContact CA-O 3.44Å; P37-F949 HydrophobicContact CG-CE1 4.45Å; P37-F949 HydrophobicContact CG-CE2 4.33Å; P37-F949 HydrophobicContact CG-CZ 3.88Å; F38-F949 PolarHBondContact N-O 3.27Å; W82-F949 HydrophobicContact CB-CE1 3.83Å; W82-F949 HydrophobicContact CB-CZ 3.93Å; W82-F949 HydrophobicContact CG-CE1 4.24Å; L935-F949 HydrophobicContact CD1-CB 4.19Å; L935-F949 HydrophobicContact CD1-CD1 4.28Å; L935-F949 HydrophobicContact CD1-CG 4.18Å; L935-F949 HydrophobicContact CD2-CD1 4.4Å; L935-F949 HydrophobicContact CD2-CE1 4.35Å; L935-F949 HydrophobicContact CD2-CZ 4.45Å; P940-F949 HydrophobicContact CB-CB 4.11Å; P940-F949 HydrophobicContact CB-CD2 4.35Å; P940-F949 HydrophobicContact CG-CB 4.36Å; A942-F949 CarbonylContact O-C 2.94Å; A942-F949 VanDerWaalsContact O-CA 3.29Å; A942-F949 WeakPolarHBondContact O-CA 3.42Å; A942-F949 WeakPolarHBondContact O-CB 3.25Å; F949-P952 HydrophobicContact CD2-CB 4.35Å; F949-P952 HydrophobicContact CE2-CB 3.91Å; F949-P952 HydrophobicContact CE2-CG 3.91Å |
| 950 | R | 94.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 10.1 Ų | 10.1 | 11% | 0.109 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.5 | 171.6 | -65.5 | -153.3 | -55.8 | -132.2 | 2.4 | 110.8 | F38 E896 P940 E941 A942 | F38-R950 HydrophobicContact CB-CG 3.99Å; F38-R950 HydrophobicContact CG-CG 4.48Å; E896-R950 WeakPolarHBondContact OE1-CD 3.44Å; E896-R950 IonicContact OE1-CZ 3.24Å; E896-R950 IonicContact OE1-NE 2.64Å; E896-R950 PolarHBondContact OE1-NE 3.32Å; E896-R950 IonicContact OE1-NH1 3.16Å; E896-R950 PolarHBondContact OE1-NH1 3.16Å; E896-R950 IonicContact OE1-NH2 3.68Å; E896-R950 IonicContact OE2-CZ 2.62Å; E896-R950 IonicContact OE2-NE 2.67Å; E896-R950 IonicContact OE2-NH1 3.8Å; E896-R950 PolarHBondContact OE2-NH1 3.4Å; E896-R950 IonicContact OE2-NH2 3.56Å; E896-R950 PolarHBondContact OE2-NH2 3.36Å; P940-R950 VanDerWaalsContact CB-O 3.32Å; P940-R950 WeakPolarHBondContact CB-O 3.47Å; E941-R950 HydrophobicContact CB-CB 4.41Å; E941-R950 WeakPolarHBondContact CB-O 3.28Å; E941-R950 PolarHBondContact N-O 3.02Å; E941-R950 VanDerWaalsContact N-O 3.09Å; E941-R950 IonicContact OE1-CZ 3.8Å; E941-R950 IonicContact OE1-NE 2.62Å; E941-R950 IonicContact OE1-NH2 4Å; E941-R950 PolarHBondContact OE1-NH2 3.11Å; E941-R950 WeakPolarHBondContact OE2-CB 3.22Å; E941-R950 IonicContact OE2-CZ 3.45Å; E941-R950 IonicContact OE2-NE 3.81Å; E941-R950 PolarHBondContact OE2-NE 3.02Å; E941-R950 IonicContact OE2-NH2 2.85Å; A942-R950 HydrophobicContact CB-CB 4.47Å; A942-R950 PolarHBondContact O-N 3.41Å |
| 951 | C | 94.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 45.5 | 86.8 | 170.6 | -164 | 0 | 0 | 0 | 0 | 114.3 | E588 Y589 P940 E941 Y954 | E588-C951 HydrophobicContact CB-CB 4.23Å; E588-C951 PolarHBondContact N-SG 3.27Å; E588-C951 WeakPolarHBondContact OE2-CA 3.38Å; E588-C951 PolarHBondContact OE2-N 3.24Å; E588-C951 VanDerWaalsContact OE2-N 3.1Å; Y589-C951 HydrophobicContact CD1-CB 4.25Å; Y589-C951 HydrophobicContact CD2-CB 4.22Å; Y589-C951 HydrophobicContact CE1-CB 3.9Å; Y589-C951 HydrophobicContact CE2-CB 3.86Å; Y589-C951 HydrophobicContact CG-CB 4.36Å; P940-C951 CarbonylContact C-O 3.54Å; P940-C951 VanDerWaalsContact CA-O 3.28Å; P940-C951 WeakPolarHBondContact CA-O 3.23Å; E941-C951 HydrophobicContact CB-CB 4.18Å; E941-C951 PolarHBondContact N-O 2.81Å; C951-Y954 HydrophobicContact CB-CD2 3.96Å; C951-Y954 HydrophobicContact CB-CE2 4.36Å |
| 952 | P | 95.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -71.1 | 145.8 | 177.7 | 31.5 | -32.9 | 0 | 0 | 0 | 110.8 | V80 H587 Q938 F949 | V80-P952 HydrophobicContact CB-CG 3.68Å; V80-P952 HydrophobicContact CG1-CG 3.66Å; V80-P952 HydrophobicContact CG2-CG 4.5Å; H587-P952 WeakPolarHBondContact CB-O 3.18Å; H587-P952 PolarHBondContact ND1-O 2.86Å; Q938-P952 HydrophobicContact CB-CB 4.29Å; F949-P952 HydrophobicContact CD2-CB 4.35Å; F949-P952 HydrophobicContact CE2-CB 3.91Å; F949-P952 HydrophobicContact CE2-CG 3.91Å |
| 953 | G | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 68.3 | 86.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y503 Y504 G586 H587 Q938 T939 | Y503-G953 WeakPolarHBondContact OH-CA 3.46Å; Y504-G953 WeakPolarHBondContact CE2-O 3.46Å; G586-G953 CarbonylContact C-O 3.54Å; G586-G953 WeakPolarHBondContact CA-O 3.34Å; H587-G953 PolarHBondContact CD2-O 3.16Å; H587-G953 PolarHBondContact N-O 3.49Å; H587-G953 VanDerWaalsContact N-O 3.11Å; Q938-G953 PolarHBondContact O-N 3.21Å; T939-G953 WeakPolarHBondContact O-CA 3.37Å; T939-G953 PolarHBondContact O-N 2.88Å; T939-G953 VanDerWaalsContact O-N 3.11Å |
| 954 | Y | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -138.1 | 145.6 | -169.3 | -161.8 | -89.2 | 0 | 0 | 0 | 112.9 | Y504 E585 Y589 V597 T939 E941 C951 R956 A957 | Y504-Y954 VanDerWaalsContact CE2-N 3.34Å; E585-Y954 VanDerWaalsContact CD-OH 3.3Å; E585-Y954 HydrophobicContact CG-CD2 4.45Å; E585-Y954 HydrophobicContact CG-CE1 4.32Å; E585-Y954 HydrophobicContact CG-CE2 3.52Å; E585-Y954 VanDerWaalsContact CG-CZ 3.43Å; E585-Y954 VanDerWaalsContact CG-OH 3.3Å; E585-Y954 WeakPolarHBondContact CG-OH 3.28Å; E585-Y954 WeakPolarHBondContact O-CA 3.35Å; E585-Y954 VanDerWaalsContact O-CD2 3.28Å; E585-Y954 WeakPolarHBondContact O-CD2 3.4Å; E585-Y954 PolarHBondContact OE1-OH 2.98Å; Y589-Y954 HydrophobicContact CD2-CD2 4.47Å; Y589-Y954 AromaticContact CD2-CE2 3.54Å; Y589-Y954 HydrophobicContact CD2-CE2 3.54Å; Y589-Y954 AromaticContact CE2-CE2 3.82Å; Y589-Y954 HydrophobicContact CE2-CE2 3.82Å; Y589-Y954 HydrophobicContact CG-CE2 4.49Å; V597-Y954 HydrophobicContact CG1-CE1 4.4Å; T939-Y954 PolarHBondContact O-N 3.35Å; E941-Y954 HydrophobicContact CB-CD1 3.97Å; E941-Y954 HydrophobicContact CB-CD2 3.56Å; E941-Y954 HydrophobicContact CB-CE1 4.11Å; E941-Y954 HydrophobicContact CB-CE2 3.66Å; E941-Y954 HydrophobicContact CB-CG 3.71Å; E941-Y954 HydrophobicContact CG-CD1 4.21Å; E941-Y954 HydrophobicContact CG-CD2 4.17Å; E941-Y954 HydrophobicContact CG-CE1 3.85Å; E941-Y954 HydrophobicContact CG-CE2 3.75Å; E941-Y954 HydrophobicContact CG-CG 4.37Å; C951-Y954 HydrophobicContact CB-CD2 3.96Å; C951-Y954 HydrophobicContact CB-CE2 4.36Å; Y954-R956 VanDerWaalsContact C-N 3.26Å; Y954-R956 HydrophobicContact CD1-CB 3.71Å; Y954-R956 HydrophobicContact CD1-CG 3.69Å; Y954-R956 HydrophobicContact CE1-CB 4.07Å; Y954-R956 VanDerWaalsContact CE1-CD 3.41Å; Y954-R956 HydrophobicContact CE1-CG 3.49Å; Y954-R956 VanDerWaalsContact CE1-CG 3.49Å; Y954-R956 PolarHBondContact O-N 2.69Å; Y954-R956 VanDerWaalsContact O-N 3.16Å; Y954-A957 PolarHBondContact O-N 3.37Å |
| 955 | M | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -62.9 | -25.1 | -172.4 | 65.1 | 160.8 | 86.4 | 0 | 0 | 115.6 | Y504 Y583 E585 V597 H598 A601 A957 L958 | Y504-M955 VanDerWaalsContact CD1-CA 3.49Å; Y504-M955 HydrophobicContact CD1-CB 4Å; Y504-M955 HydrophobicContact CE1-CB 3.56Å; Y583-M955 HydrophobicContact CD2-CB 4.35Å; Y583-M955 HydrophobicContact CE2-CB 3.77Å; Y583-M955 HydrophobicContact CE2-CE 4.06Å; Y583-M955 HydrophobicContact CE2-SD 4.11Å; E585-M955 VanDerWaalsContact CA-CE 3.43Å; E585-M955 HydrophobicContact CB-CE 3.96Å; E585-M955 HydrophobicContact CG-CE 4.17Å; E585-M955 PolarHBondContact O-N 2.78Å; V597-M955 HydrophobicContact CB-CG 4.34Å; V597-M955 HydrophobicContact CB-SD 4.02Å; V597-M955 HydrophobicContact CG2-CE 4.1Å; V597-M955 HydrophobicContact CG2-CG 4.2Å; V597-M955 HydrophobicContact CG2-SD 3.7Å; H598-M955 HydrophobicContact CB-SD 4.47Å; A601-M955 HydrophobicContact CB-CB 4.11Å; A601-M955 HydrophobicContact CB-CG 4.29Å; A601-M955 WeakPolarHBondContact CB-O 3.49Å; A601-M955 HydrophobicContact CB-SD 4.07Å; M955-A957 PolarHBondContact O-N 2.69Å; M955-L958 VanDerWaalsContact O-CB 3.27Å; M955-L958 WeakPolarHBondContact O-CB 3.5Å; M955-L958 WeakPolarHBondContact O-CG 3.38Å; M955-L958 PolarHBondContact O-N 2.72Å |
| 956 | R | 98 | Very high | 97 | Very high | 5 Ų | 5 | 7.8 Ų | 7.8 | 2% | 0.019 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -57.3 | -22.5 | 178.7 | -78.1 | 169.4 | -178.9 | -166.9 | -3 | 114.3 | V597 W898 V899 A900 E941 Y954 L958 A959 | V597-R956 HydrophobicContact CG1-CG 4.35Å; W898-R956 VanDerWaalsContact CE2-NH1 3.28Å; W898-R956 VanDerWaalsContact CH2-NH2 3.33Å; V899-R956 HydrophobicContact CB-CB 4.42Å; A900-R956 HydrophobicContact CB-CB 3.6Å; A900-R956 HydrophobicContact CB-CG 3.51Å; E941-R956 IonicContact OE1-NH1 2.75Å; Y954-R956 VanDerWaalsContact C-N 3.26Å; Y954-R956 HydrophobicContact CD1-CB 3.71Å; Y954-R956 HydrophobicContact CD1-CG 3.69Å; Y954-R956 HydrophobicContact CE1-CB 4.07Å; Y954-R956 VanDerWaalsContact CE1-CD 3.41Å; Y954-R956 HydrophobicContact CE1-CG 3.49Å; Y954-R956 VanDerWaalsContact CE1-CG 3.49Å; Y954-R956 PolarHBondContact O-N 2.69Å; Y954-R956 VanDerWaalsContact O-N 3.16Å; R956-L958 PolarHBondContact O-N 2.76Å; R956-A959 WeakPolarHBondContact O-CB 3.4Å; R956-A959 PolarHBondContact O-N 3.01Å; R956-A959 VanDerWaalsContact O-N 3.08Å |
| 957 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | G | 310 helix | trans | -52.4 | -35.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E501 T939 Y954 M955 A959 I960 | E501-A957 HydrophobicContact CB-CB 4.22Å; E501-A957 WeakPolarHBondContact OE2-CB 3.23Å; T939-A957 HydrophobicContact CG2-CB 3.67Å; Y954-A957 PolarHBondContact O-N 3.37Å; M955-A957 PolarHBondContact O-N 2.69Å; A957-A959 PolarHBondContact O-N 2.91Å; A957-A959 VanDerWaalsContact O-N 3.17Å; A957-I960 WeakPolarHBondContact O-CG2 3.38Å; A957-I960 PolarHBondContact O-N 2.94Å |
| 958 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -67.9 | -14.6 | -177.8 | -59.6 | 176.2 | 0 | 0 | 0 | 113.3 | L502 Y504 L505 Y583 A601 A604 M955 R956 I960 W961 | L502-L958 HydrophobicContact CD2-CD2 4Å; Y504-L958 HydrophobicContact CD1-CD1 4.3Å; L505-L958 HydrophobicContact CD2-CD1 3.66Å; L505-L958 HydrophobicContact CD2-CD2 4.36Å; L505-L958 HydrophobicContact CG-CD1 4.21Å; L505-L958 HydrophobicContact CG-CD2 4Å; Y583-L958 HydrophobicContact CE2-CD1 4.34Å; A601-L958 HydrophobicContact CB-CB 3.92Å; A601-L958 HydrophobicContact CB-CD1 4.16Å; A601-L958 WeakPolarHBondContact O-CB 3.28Å; A604-L958 HydrophobicContact CB-CB 3.84Å; A604-L958 HydrophobicContact CB-CD2 4.03Å; A604-L958 HydrophobicContact CB-CG 4.36Å; M955-L958 VanDerWaalsContact O-CB 3.27Å; M955-L958 WeakPolarHBondContact O-CB 3.5Å; M955-L958 WeakPolarHBondContact O-CG 3.38Å; M955-L958 PolarHBondContact O-N 2.72Å; R956-L958 PolarHBondContact O-N 2.76Å; L958-I960 PolarHBondContact O-N 3.09Å; L958-I960 VanDerWaalsContact O-N 3.13Å; L958-W961 PolarHBondContact O-N 2.77Å |
| 959 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.031 | C | C | . | . | G | 310 helix | trans | -61.8 | -18 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y600 A900 Y903 R956 A957 W961 S962 | Y600-A959 WeakPolarHBondContact O-CA 3.46Å; A900-A959 HydrophobicContact CB-CB 3.79Å; Y903-A959 HydrophobicContact CD2-CB 4.37Å; R956-A959 WeakPolarHBondContact O-CB 3.4Å; R956-A959 PolarHBondContact O-N 3.01Å; R956-A959 VanDerWaalsContact O-N 3.08Å; A957-A959 PolarHBondContact O-N 2.91Å; A957-A959 VanDerWaalsContact O-N 3.17Å; A959-W961 PolarHBondContact O-N 2.92Å; A959-W961 VanDerWaalsContact O-N 3.11Å; A959-S962 VanDerWaalsContact O-CB 3.29Å; A959-S962 WeakPolarHBondContact O-CB 3.33Å; A959-S962 PolarHBondContact O-N 2.75Å; A959-S962 PolarHBondContact O-OG 3.18Å |
| 960 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -56 | -27.1 | 175.1 | -162.3 | 166.5 | 0 | 0 | 0 | 112.6 | A497 L498 E501 Y903 A957 L958 S962 I963 | A497-I960 HydrophobicContact CB-CD1 3.62Å; L498-I960 HydrophobicContact CD1-CG2 4.3Å; E501-I960 HydrophobicContact CB-CG2 3.83Å; E501-I960 HydrophobicContact CG-CD1 4.1Å; E501-I960 HydrophobicContact CG-CG2 4.18Å; Y903-I960 HydrophobicContact CD1-CG1 4.39Å; Y903-I960 HydrophobicContact CD2-CB 3.8Å; Y903-I960 HydrophobicContact CD2-CG1 4.46Å; Y903-I960 HydrophobicContact CE1-CD1 4.15Å; Y903-I960 HydrophobicContact CE1-CG1 4.3Å; Y903-I960 HydrophobicContact CE2-CB 3.84Å; Y903-I960 HydrophobicContact CE2-CD1 4.37Å; Y903-I960 HydrophobicContact CE2-CG1 4.35Å; Y903-I960 HydrophobicContact CG-CB 4.18Å; Y903-I960 HydrophobicContact CG-CG1 4.48Å; A957-I960 WeakPolarHBondContact O-CG2 3.38Å; A957-I960 PolarHBondContact O-N 2.94Å; L958-I960 PolarHBondContact O-N 3.09Å; L958-I960 VanDerWaalsContact O-N 3.13Å; I960-S962 PolarHBondContact O-N 3.34Å; I960-I963 HydrophobicContact CG1-CD1 4.16Å; I960-I963 VanDerWaalsContact O-CB 3.26Å; I960-I963 WeakPolarHBondContact O-CB 3.29Å; I960-I963 PolarHBondContact O-N 2.94Å |
| 961 | W | 98.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 2% | 0.023 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.3 | -15.5 | 176.9 | -81.1 | 82.1 | 0 | 0 | 0 | 113.7 | W480 L498 F499 L502 W603 A604 K607 L608 L958 A959 I963 Q964 Q965 | W480-W961 HydrophobicContact CZ2-CH2 4.06Å; W480-W961 HydrophobicContact CZ2-CZ2 4.03Å; L498-W961 HydrophobicContact CD1-CD2 3.81Å; L498-W961 HydrophobicContact CD1-CE3 4.27Å; L498-W961 HydrophobicContact CD1-CG 4.12Å; L498-W961 HydrophobicContact CD1-CH2 4.38Å; L498-W961 HydrophobicContact CD1-CZ2 3.91Å; L498-W961 HydrophobicContact CD2-CH2 4.17Å; L498-W961 HydrophobicContact CD2-CZ2 4.21Å; L498-W961 HydrophobicContact CG-CH2 4.22Å; L498-W961 HydrophobicContact CG-CZ2 3.77Å; L498-W961 PolarHBondContact O-NE1 3.32Å; F499-W961 HydrophobicContact CD1-CZ2 4.36Å; F499-W961 HydrophobicContact CE1-CH2 4.36Å; F499-W961 HydrophobicContact CE1-CZ2 4.36Å; L502-W961 HydrophobicContact CD1-CZ2 3.69Å; L502-W961 VanDerWaalsContact CD2-NE1 3.26Å; L502-W961 HydrophobicContact CG-CZ2 4.35Å; W603-W961 HydrophobicContact CB-CB 4.09Å; A604-W961 HydrophobicContact CB-CB 4.21Å; A604-W961 HydrophobicContact CB-CG 3.95Å; K607-W961 HydrophobicContact CB-CE3 4.15Å; L608-W961 HydrophobicContact CD1-CD2 4.15Å; L608-W961 HydrophobicContact CD1-CE3 4.38Å; L608-W961 HydrophobicContact CD1-CH2 3.92Å; L608-W961 HydrophobicContact CD1-CZ2 3.67Å; L608-W961 HydrophobicContact CD1-CZ3 4.26Å; L608-W961 HydrophobicContact CD2-CE3 4.4Å; L608-W961 HydrophobicContact CD2-CH2 3.68Å; L608-W961 HydrophobicContact CD2-CZ2 4.3Å; L608-W961 HydrophobicContact CD2-CZ3 3.73Å; L608-W961 HydrophobicContact CG-CE3 4.34Å; L608-W961 HydrophobicContact CG-CH2 4.19Å; L608-W961 HydrophobicContact CG-CZ2 4.41Å; L608-W961 HydrophobicContact CG-CZ3 4.14Å; L958-W961 PolarHBondContact O-N 2.77Å; A959-W961 PolarHBondContact O-N 2.92Å; A959-W961 VanDerWaalsContact O-N 3.11Å; W961-I963 VanDerWaalsContact C-N 3.29Å; W961-Q964 HydrophobicContact CE3-CB 4.11Å; W961-Q964 HydrophobicContact CE3-CG 4.2Å; W961-Q964 HydrophobicContact CZ3-CB 4.43Å; W961-Q964 HydrophobicContact CZ3-CG 4.05Å; W961-Q964 PolarHBondContact O-N 3.19Å; W961-Q965 PolarHBondContact O-N 2.88Å |
| 962 | S | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.4 | -29.5 | 167.3 | 69 | 0 | 0 | 0 | 0 | 112.6 | S907 A959 I960 Q965 A966 | S907-S962 VanDerWaalsContact CB-C 3.46Å; S907-S962 VanDerWaalsContact CB-O 3.29Å; S907-S962 WeakPolarHBondContact CB-O 3.35Å; S907-S962 PolarHBondContact OG-OG 3.18Å; A959-S962 VanDerWaalsContact O-CB 3.29Å; A959-S962 WeakPolarHBondContact O-CB 3.33Å; A959-S962 PolarHBondContact O-N 2.75Å; A959-S962 PolarHBondContact O-OG 3.18Å; I960-S962 PolarHBondContact O-N 3.34Å; S962-Q965 WeakPolarHBondContact O-CB 3.36Å; S962-Q965 PolarHBondContact O-N 3.05Å; S962-A966 WeakPolarHBondContact O-CB 3.44Å; S962-A966 PolarHBondContact O-N 3.3Å |
| 963 | I | 98.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 173.2 | -61.7 | 175 | 0 | 0 | 0 | 109.6 | Y494 Y903 S906 I910 L919 I960 W961 Q965 A966 L967 | Y494-I963 HydrophobicContact CD2-CG2 4.18Å; Y494-I963 HydrophobicContact CE2-CB 3.96Å; Y494-I963 HydrophobicContact CE2-CG2 3.44Å; Y494-I963 VanDerWaalsContact CE2-CG2 3.44Å; Y903-I963 HydrophobicContact CD1-CD1 3.98Å; Y903-I963 HydrophobicContact CG-CD1 4.48Å; S906-I963 VanDerWaalsContact OG-CD1 3.23Å; S906-I963 WeakPolarHBondContact OG-CD1 3.26Å; I910-I963 HydrophobicContact CD1-CG2 3.69Å; L919-I963 HydrophobicContact CD2-CG2 4.48Å; I960-I963 HydrophobicContact CG1-CD1 4.16Å; I960-I963 VanDerWaalsContact O-CB 3.26Å; I960-I963 WeakPolarHBondContact O-CB 3.29Å; I960-I963 PolarHBondContact O-N 2.94Å; W961-I963 VanDerWaalsContact C-N 3.29Å; I963-Q965 VanDerWaalsContact C-N 3.32Å; I963-Q965 PolarHBondContact O-N 3.44Å; I963-A966 PolarHBondContact O-N 3.47Å; I963-A966 VanDerWaalsContact O-N 3.16Å; I963-L967 HydrophobicContact CG2-CD1 3.9Å; I963-L967 HydrophobicContact CG2-CG 4.34Å; I963-L967 WeakPolarHBondContact O-CG 3.5Å; I963-L967 PolarHBondContact O-N 3.39Å |
| 964 | Q | 97.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 176 | -174.2 | 58.6 | 21.9 | 0 | 0 | 111.1 | Y494 L498 W961 A966 L967 E968 | Y494-Q964 WeakPolarHBondContact OH-CA 3.45Å; Y494-Q964 VanDerWaalsContact OH-CB 3.24Å; Y494-Q964 WeakPolarHBondContact OH-CB 3.24Å; Y494-Q964 PolarHBondContact OH-N 3.48Å; Y494-Q964 VanDerWaalsContact OH-N 3.12Å; Y494-Q964 PolarHBondContact OH-OE1 3.21Å; L498-Q964 HydrophobicContact CD1-CB 3.98Å; L498-Q964 HydrophobicContact CD2-CB 4.38Å; L498-Q964 HydrophobicContact CD2-CG 4.32Å; W961-Q964 HydrophobicContact CE3-CB 4.11Å; W961-Q964 HydrophobicContact CE3-CG 4.2Å; W961-Q964 HydrophobicContact CZ3-CB 4.43Å; W961-Q964 HydrophobicContact CZ3-CG 4.05Å; W961-Q964 PolarHBondContact O-N 3.19Å; Q964-A966 VanDerWaalsContact C-N 3.35Å; Q964-A966 PolarHBondContact O-N 3.36Å; Q964-L967 PolarHBondContact O-N 3.22Å; Q964-E968 WeakPolarHBondContact CG-OE1 3.12Å; Q964-E968 PolarHBondContact NE2-OE1 3.27Å; Q964-E968 WeakPolarHBondContact O-CG 3.41Å; Q964-E968 PolarHBondContact O-N 3.28Å |
| 965 | Q | 96.7 | Very high | 86 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.1 | -47.5 | 173.4 | 175.8 | 63.7 | 19.3 | 0 | 0 | 111.9 | W603 K607 I841 W961 S962 I963 L967 E968 F969 | W603-Q965 HydrophobicContact CE3-CB 4.13Å; W603-Q965 HydrophobicContact CE3-CG 4.1Å; W603-Q965 HydrophobicContact CH2-CG 4.04Å; W603-Q965 HydrophobicContact CZ3-CB 4.09Å; W603-Q965 HydrophobicContact CZ3-CG 3.54Å; K607-Q965 HydrophobicContact CD-CB 4.42Å; I841-Q965 HydrophobicContact CB-CG 4.29Å; I841-Q965 WeakPolarHBondContact O-CG 3.29Å; I841-Q965 PolarHBondContact O-NE2 3.39Å; W961-Q965 PolarHBondContact O-N 2.88Å; S962-Q965 WeakPolarHBondContact O-CB 3.36Å; S962-Q965 PolarHBondContact O-N 3.05Å; I963-Q965 VanDerWaalsContact C-N 3.32Å; I963-Q965 PolarHBondContact O-N 3.44Å; Q965-L967 PolarHBondContact O-N 2.98Å; Q965-E968 PolarHBondContact O-N 3.41Å; Q965-F969 WeakPolarHBondContact O-CB 2.94Å; Q965-F969 PolarHBondContact O-N 3.09Å |
| 966 | A | 96.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I841 S907 I910 A911 S962 I963 Q964 T970 | I841-A966 HydrophobicContact CG2-CB 4.26Å; S907-A966 WeakPolarHBondContact O-CB 3.36Å; I910-A966 HydrophobicContact CB-CB 4.15Å; I910-A966 HydrophobicContact CG2-CB 3.91Å; A911-A966 HydrophobicContact CB-CB 4.37Å; S962-A966 WeakPolarHBondContact O-CB 3.44Å; S962-A966 PolarHBondContact O-N 3.3Å; I963-A966 PolarHBondContact O-N 3.47Å; I963-A966 VanDerWaalsContact O-N 3.16Å; Q964-A966 VanDerWaalsContact C-N 3.35Å; Q964-A966 PolarHBondContact O-N 3.36Å; A966-T970 WeakPolarHBondContact O-CB 3.33Å; A966-T970 PolarHBondContact O-N 2.63Å; A966-T970 PolarHBondContact O-OG1 2.82Å |
| 967 | L | 95.3 | Very high | 80.3 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -46.5 | 176.2 | -71.7 | 166.7 | 0 | 0 | 0 | 111.7 | L490 Y494 I910 I963 Q964 Q965 T970 N971 | L490-L967 HydrophobicContact CD2-CD1 3.79Å; L490-L967 HydrophobicContact CD2-CD2 4.38Å; Y494-L967 HydrophobicContact CD1-CD1 4.4Å; Y494-L967 HydrophobicContact CE1-CD1 3.65Å; Y494-L967 HydrophobicContact CE2-CD1 4.48Å; I910-L967 HydrophobicContact CD1-CD2 4.25Å; I910-L967 HydrophobicContact CD1-CG 4.36Å; I910-L967 HydrophobicContact CG2-CD2 3.89Å; I910-L967 HydrophobicContact CG2-CG 4.23Å; I963-L967 HydrophobicContact CG2-CD1 3.9Å; I963-L967 HydrophobicContact CG2-CG 4.34Å; I963-L967 WeakPolarHBondContact O-CG 3.5Å; I963-L967 PolarHBondContact O-N 3.39Å; Q964-L967 PolarHBondContact O-N 3.22Å; Q965-L967 PolarHBondContact O-N 2.98Å; L967-T970 PolarHBondContact O-N 3.21Å; L967-N971 VanDerWaalsContact O-CG 3.3Å; L967-N971 PolarHBondContact O-N 3.27Å; L967-N971 PolarHBondContact O-ND2 3.01Å |
| 968 | E | 91.2 | Very high | 77.4 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -46.2 | 175.9 | -72.4 | 168.9 | 180 | 0 | 0 | 111.1 | K607 Q964 Q965 T970 N971 I972 | K607-E968 IonicContact NZ-OE2 3.12Å; K607-E968 PolarHBondContact NZ-OE2 3.11Å; Q964-E968 WeakPolarHBondContact CG-OE1 3.12Å; Q964-E968 PolarHBondContact NE2-OE1 3.27Å; Q964-E968 WeakPolarHBondContact O-CG 3.41Å; Q964-E968 PolarHBondContact O-N 3.28Å; Q965-E968 PolarHBondContact O-N 3.41Å; E968-T970 PolarHBondContact O-N 3.4Å; E968-N971 PolarHBondContact O-N 3.03Å; E968-I972 WeakPolarHBondContact O-CG1 2.99Å; E968-I972 PolarHBondContact O-N 2.99Å |
| 969 | F | 81 | Confident | 74.5 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.4 | -51.9 | 173.4 | 175.8 | -88.9 | 0 | 0 | 0 | 110.9 | Q965 N971 I972 Y973 F985 | Q965-F969 WeakPolarHBondContact O-CB 2.94Å; Q965-F969 PolarHBondContact O-N 3.09Å; F969-N971 VanDerWaalsContact C-N 3.26Å; F969-N971 PolarHBondContact O-N 3.49Å; F969-I972 PolarHBondContact O-N 3.2Å; F969-Y973 HydrophobicContact CD1-CD2 4.25Å; F969-Y973 AromaticContact CD2-CD2 3.88Å; F969-Y973 HydrophobicContact CD2-CD2 3.88Å; F969-Y973 AromaticContact CD2-CE2 3.6Å; F969-Y973 HydrophobicContact CD2-CE2 3.6Å; F969-Y973 AromaticContact CE1-CD2 3.81Å; F969-Y973 HydrophobicContact CE1-CD2 3.81Å; F969-Y973 HydrophobicContact CE1-CE2 4.23Å; F969-Y973 HydrophobicContact CE1-CG 4.38Å; F969-Y973 AromaticContact CE2-CD2 3.45Å; F969-Y973 HydrophobicContact CE2-CD2 3.45Å; F969-Y973 VanDerWaalsContact CE2-CD2 3.45Å; F969-Y973 AromaticContact CE2-CE2 3.01Å; F969-Y973 HydrophobicContact CE2-CE2 3.01Å; F969-Y973 HydrophobicContact CE2-CG 4.49Å; F969-Y973 AromaticContact CE2-CZ 3.76Å; F969-Y973 HydrophobicContact CG-CD2 4.24Å; F969-Y973 HydrophobicContact CG-CE2 4.41Å; F969-Y973 AromaticContact CZ-CD2 3.36Å; F969-Y973 HydrophobicContact CZ-CD2 3.36Å; F969-Y973 AromaticContact CZ-CE2 3.34Å; F969-Y973 HydrophobicContact CZ-CE2 3.34Å; F969-Y973 HydrophobicContact CZ-CG 4.04Å; F969-Y973 AromaticContact CZ-CZ 3.96Å; F969-Y973 VanDerWaalsContact O-CD2 3.3Å; F969-Y973 WeakPolarHBondContact O-CD2 3.46Å; F969-Y973 PolarHBondContact O-N 3.33Å; F969-F985 HydrophobicContact CD2-CZ 4.05Å; F969-F985 HydrophobicContact CE2-CE2 4.24Å; F969-F985 AromaticContact CE2-CZ 3.95Å; F969-F985 HydrophobicContact CE2-CZ 3.95Å |
| 970 | T | 79.7 | Confident | 71.6 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -32.4 | -177.4 | -53 | 0 | 0 | 0 | 0 | 112.6 | I915 A966 L967 E968 Y973 K974 | I915-T970 HydrophobicContact CD1-CG2 4.16Å; A966-T970 WeakPolarHBondContact O-CB 3.33Å; A966-T970 PolarHBondContact O-N 2.63Å; A966-T970 PolarHBondContact O-OG1 2.82Å; L967-T970 PolarHBondContact O-N 3.21Å; E968-T970 PolarHBondContact O-N 3.4Å; T970-Y973 PolarHBondContact O-N 2.84Å; T970-K974 PolarHBondContact O-N 2.74Å |
| 971 | N | 68.3 | Low | 68.8 | Low | 80 Ų | 80 | 57.3 Ų | 57.3 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 177.1 | -71.8 | -26.4 | 0 | 0 | 0 | 112.5 | L967 E968 F969 Y973 Y975 | L967-N971 VanDerWaalsContact O-CG 3.3Å; L967-N971 PolarHBondContact O-N 3.27Å; L967-N971 PolarHBondContact O-ND2 3.01Å; E968-N971 PolarHBondContact O-N 3.03Å; F969-N971 VanDerWaalsContact C-N 3.26Å; F969-N971 PolarHBondContact O-N 3.49Å; N971-Y973 VanDerWaalsContact C-N 3.32Å; N971-Y973 PolarHBondContact O-N 2.68Å; N971-Y975 WeakPolarHBondContact O-CD2 3.27Å |
| 972 | I | 59.6 | Low | 65.6 | Low | 84 Ų | 84 | 64.8 Ų | 64.8 | 43% | 0.431 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.7 | -64.4 | 166.2 | 0 | 0 | 0 | 110.2 | E968 F969 I988 | E968-I972 WeakPolarHBondContact O-CG1 2.99Å; E968-I972 PolarHBondContact O-N 2.99Å; F969-I972 PolarHBondContact O-N 3.2Å; I972-I988 HydrophobicContact CD1-CD1 3.88Å; I972-I988 HydrophobicContact CD1-CG1 3.96Å |
| 973 | Y | 55.9 | Low | 62.5 | Low | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.192 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -85.8 | -15.3 | -174.1 | -76 | -88.1 | 0 | 0 | 0 | 115.8 | F969 T970 N971 Y975 S976 F981 F985 | F969-Y973 HydrophobicContact CD1-CD2 4.25Å; F969-Y973 AromaticContact CD2-CD2 3.88Å; F969-Y973 HydrophobicContact CD2-CD2 3.88Å; F969-Y973 AromaticContact CD2-CE2 3.6Å; F969-Y973 HydrophobicContact CD2-CE2 3.6Å; F969-Y973 AromaticContact CE1-CD2 3.81Å; F969-Y973 HydrophobicContact CE1-CD2 3.81Å; F969-Y973 HydrophobicContact CE1-CE2 4.23Å; F969-Y973 HydrophobicContact CE1-CG 4.38Å; F969-Y973 AromaticContact CE2-CD2 3.45Å; F969-Y973 HydrophobicContact CE2-CD2 3.45Å; F969-Y973 VanDerWaalsContact CE2-CD2 3.45Å; F969-Y973 AromaticContact CE2-CE2 3.01Å; F969-Y973 HydrophobicContact CE2-CE2 3.01Å; F969-Y973 HydrophobicContact CE2-CG 4.49Å; F969-Y973 AromaticContact CE2-CZ 3.76Å; F969-Y973 HydrophobicContact CG-CD2 4.24Å; F969-Y973 HydrophobicContact CG-CE2 4.41Å; F969-Y973 AromaticContact CZ-CD2 3.36Å; F969-Y973 HydrophobicContact CZ-CD2 3.36Å; F969-Y973 AromaticContact CZ-CE2 3.34Å; F969-Y973 HydrophobicContact CZ-CE2 3.34Å; F969-Y973 HydrophobicContact CZ-CG 4.04Å; F969-Y973 AromaticContact CZ-CZ 3.96Å; F969-Y973 VanDerWaalsContact O-CD2 3.3Å; F969-Y973 WeakPolarHBondContact O-CD2 3.46Å; F969-Y973 PolarHBondContact O-N 3.33Å; T970-Y973 PolarHBondContact O-N 2.84Å; N971-Y973 VanDerWaalsContact C-N 3.32Å; N971-Y973 PolarHBondContact O-N 2.68Å; Y973-Y975 PolarHBondContact O-N 3.34Å; Y973-S976 WeakPolarHBondContact CA-OG 3.28Å; Y973-S976 WeakPolarHBondContact CD1-OG 3.37Å; Y973-S976 PolarHBondContact O-OG 2.81Å; Y973-F981 HydrophobicContact CD1-CE1 4.41Å; Y973-F981 HydrophobicContact CD1-CE2 4.36Å; Y973-F981 HydrophobicContact CD1-CZ 4.1Å; Y973-F981 HydrophobicContact CE1-CE1 4.25Å; Y973-F981 HydrophobicContact CE1-CZ 4.4Å; Y973-F985 HydrophobicContact CE2-CE2 4.33Å; Y973-F985 WeakPolarHBondContact OH-CE2 3.39Å |
| 974 | K | 53.3 | Low | 59.5 | Low | 143 Ų | 143 | 72.4 Ų | 72.4 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.6 | 169 | -90.4 | -176.3 | 177.2 | 178.1 | 0 | 112.6 | T970 | T970-K974 PolarHBondContact O-N 2.74Š|
| 975 | Y | 43.1 | Very low | 56.6 | Low | 209 Ų | 209 | 73.5 Ų | 73.5 | 82% | 0.82 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -104.5 | -10.2 | -177.5 | -65 | -71.5 | 0 | 0 | 0 | 114.3 | N971 Y973 | N971-Y975 WeakPolarHBondContact O-CD2 3.27Å; Y973-Y975 PolarHBondContact O-N 3.34Å |
| 976 | S | 40 | Very low | 53.6 | Low | 33 Ų | 33 | 78.1 Ų | 78.1 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -88.9 | 125.4 | 169.5 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | Y973 A978 | Y973-S976 WeakPolarHBondContact CA-OG 3.28Å; Y973-S976 WeakPolarHBondContact CD1-OG 3.37Å; Y973-S976 PolarHBondContact O-OG 2.81Å; S976-A978 PolarHBondContact O-N 3.26Å |
| 977 | D | 36.5 | Very low | 50.5 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | trans | -54.3 | 135.3 | 174.9 | -147.7 | -16.6 | 0 | 0 | 0 | 108.3 | S979 E980 | D977-S979 PolarHBondContact O-N 2.86Å; D977-E980 PolarHBondContact O-N 3.29Å | ||
| 978 | A | 37.6 | Very low | 47.5 | Very low | 75 Ų | 75 | 89.8 Ų | 89.8 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -60.6 | -16.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S976 | S976-A978 PolarHBondContact O-N 3.26Š|
| 979 | S | 38.2 | Very low | 45.3 | Very low | 102 Ų | 102 | 91 Ų | 91 | 71% | 0.713 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -76.5 | -19.9 | 171.9 | 50 | 0 | 0 | 0 | 0 | 114.8 | D977 F981 | D977-S979 PolarHBondContact O-N 2.86Å; S979-F981 PolarHBondContact O-N 3.04Å |
| 980 | E | 37.2 | Very low | 43.4 | Very low | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -84.9 | 10.3 | 177.9 | -70 | -169 | 157.5 | 0 | 0 | 113.3 | D977 N982 A983 | D977-E980 PolarHBondContact O-N 3.29Å; E980-N982 PolarHBondContact O-N 3.1Å; E980-A983 PolarHBondContact O-N 3.44Å |
| 981 | F | 40.1 | Very low | 41.4 | Very low | 66 Ų | 66 | 99.9 Ų | 99.9 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -7.8 | -176.1 | -121.9 | -79.9 | 0 | 0 | 0 | 115.8 | P845 P846 Y973 S979 | P845-F981 HydrophobicContact CB-CD1 3.79Å; P845-F981 HydrophobicContact CB-CE1 3.96Å; P845-F981 HydrophobicContact CG-CD1 4.14Å; P845-F981 HydrophobicContact CG-CE1 4.48Å; P846-F981 HydrophobicContact CG-CE1 4.35Å; P846-F981 HydrophobicContact CG-CZ 4.18Å; Y973-F981 HydrophobicContact CD1-CE1 4.41Å; Y973-F981 HydrophobicContact CD1-CE2 4.36Å; Y973-F981 HydrophobicContact CD1-CZ 4.1Å; Y973-F981 HydrophobicContact CE1-CE1 4.25Å; Y973-F981 HydrophobicContact CE1-CZ 4.4Å; S979-F981 PolarHBondContact O-N 3.04Å |
| 982 | N | 32.6 | Very low | 39.8 | Very low | 162 Ų | 162 | 101.1 Ų | 101.1 | 87% | 0.866 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.1 | 175 | -77.5 | -19.3 | 0 | 0 | 0 | 114.7 | E980 T984 | E980-N982 PolarHBondContact O-N 3.1Å; N982-T984 PolarHBondContact O-N 2.76Å |
| 983 | A | 32.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 102.2 Ų | 102.2 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | trans | -81.9 | 109.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E980 | E980-A983 PolarHBondContact O-N 3.44Š| ||
| 984 | T | 36.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 105.7 Ų | 105.7 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | trans | -21.6 | 132.7 | 163.8 | 29.2 | 0 | 0 | 0 | 0 | 117.1 | N982 T986 | N982-T984 PolarHBondContact O-N 2.76Å; T984-T986 PolarHBondContact O-N 3.12Å | ||
| 985 | F | 38 | Very low | 36.3 | Very low | 34 Ų | 34 | 103.1 Ų | 103.1 | 15% | 0.149 | 57% | 0.572 | C | S | . | * | trans | -66.1 | 23.3 | -177.9 | -118.5 | -105.3 | 0 | 0 | 0 | 116.5 | G843 F969 Y973 N987 I988 | G843-F985 WeakPolarHBondContact O-CE2 3.32Å; F969-F985 HydrophobicContact CD2-CZ 4.05Å; F969-F985 HydrophobicContact CE2-CE2 4.24Å; F969-F985 AromaticContact CE2-CZ 3.95Å; F969-F985 HydrophobicContact CE2-CZ 3.95Å; Y973-F985 HydrophobicContact CE2-CE2 4.33Å; Y973-F985 WeakPolarHBondContact OH-CE2 3.39Å; F985-N987 PolarHBondContact O-N 2.77Å; F985-I988 HydrophobicContact CD1-CD1 3.76Å; F985-I988 HydrophobicContact CD1-CG1 4.12Å; F985-I988 HydrophobicContact CE1-CD1 3.24Å; F985-I988 HydrophobicContact CE1-CG1 4.11Å; F985-I988 HydrophobicContact CZ-CD1 4Å | ||
| 986 | T | 33.7 | Very low | 35.7 | Very low | 102 Ų | 102 | 94.9 Ų | 94.9 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 2.3 | -164.4 | 38.7 | 0 | 0 | 0 | 0 | 116.3 | T984 | T984-T986 PolarHBondContact O-N 3.12Š|
| 987 | N | 31.2 | Very low | 35.4 | Very low | 154 Ų | 154 | 100.1 Ų | 100.1 | 82% | 0.824 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 53.9 | -176.4 | -77.8 | -36.6 | 0 | 0 | 0 | 114.7 | F985 | F985-N987 PolarHBondContact O-N 2.77Š|
| 988 | I | 31 | Very low | 35.3 | Very low | 106 Ų | 106 | 98.7 Ų | 98.7 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | trans | -111.5 | 0 | 156.4 | -53.5 | -168.3 | 0 | 0 | 0 | 107.4 | I972 F985 | I972-I988 HydrophobicContact CD1-CD1 3.88Å; I972-I988 HydrophobicContact CD1-CG1 3.96Å; F985-I988 HydrophobicContact CD1-CD1 3.76Å; F985-I988 HydrophobicContact CD1-CG1 4.12Å; F985-I988 HydrophobicContact CE1-CD1 3.24Å; F985-I988 HydrophobicContact CE1-CG1 4.11Å; F985-I988 HydrophobicContact CZ-CD1 4Å |
Retrieved 988 of 988 residues in 1390.8 ms
(Link to these results)