| 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 | 39.9 | Very low | 78.2 | Confident | 238 Ų | 238 | 98.5 Ų | 98.5 | 100% | 1.172 | 50% | 0.495 | S | S | * | . | 0 | 115.8 | 0 | -85.7 | 178.7 | -87.7 | 0 | 0 | 107.7 | H3 | M1-H3 PolarHBondContact O-N 3.25Š| |||
| 2 | V | 38.8 | Very low | 79.9 | Confident | 141 Ų | 141 | 94.9 Ų | 94.9 | 86% | 0.855 | 49% | 0.486 | S | S | * | . | trans | -70.8 | 114 | 171.1 | -178.4 | 0 | 0 | 0 | 0 | 105.9 | Q4 | V2-Q4 VanDerWaalsContact C-N 3.33Å; V2-Q4 PolarHBondContact O-N 2.88Å | ||
| 3 | H | 44 | Very low | 81.4 | Confident | 186 Ų | 186 | 88.1 Ų | 88.1 | 86% | 0.861 | 45% | 0.451 | S | S | * | . | trans | -59.4 | 101.5 | 168.8 | -101.8 | -63.1 | 0 | 0 | 0 | 107.2 | M1 V5 | M1-H3 PolarHBondContact O-N 3.25Å; H3-V5 PolarHBondContact O-N 3.1Å; H3-V5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | Q | 64.1 | Low | 82.6 | Confident | 106 Ų | 106 | 92.4 Ų | 92.4 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | trans | -75.2 | 109.2 | 177.4 | -162.4 | 165.7 | 47.1 | 0 | 0 | 107 | V2 L6 | V2-Q4 VanDerWaalsContact C-N 3.33Å; V2-Q4 PolarHBondContact O-N 2.88Å; Q4-L6 PolarHBondContact O-N 3.17Å; Q4-L6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | V | 86 | Confident | 83.7 | Confident | 136 Ų | 136 | 90.3 Ų | 90.3 | 82% | 0.824 | 45% | 0.449 | S | S | * | . | trans | -60.3 | 115.5 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | H3 | H3-V5 PolarHBondContact O-N 3.1Å; H3-V5 VanDerWaalsContact O-N 3.17Å | ||
| 6 | L | 95 | Very high | 84.6 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 31% | 0.314 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 128.7 | 177.1 | -62.6 | -172.3 | 0 | 0 | 0 | 109.5 | Q4 Y262 P267 | Q4-L6 PolarHBondContact O-N 3.17Å; Q4-L6 VanDerWaalsContact O-N 3.1Å; L6-Y262 HydrophobicContact CB-CE1 4.01Å; L6-Y262 HydrophobicContact CD1-CD1 4.45Å; L6-Y262 HydrophobicContact CD1-CE1 4.23Å; L6-Y262 HydrophobicContact CD2-CE2 4.08Å; L6-P267 HydrophobicContact CD2-CB 3.61Å; L6-P267 HydrophobicContact CD2-CG 3.81Å |
| 7 | Y | 97.8 | Very high | 85.5 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 147.5 | 168.1 | -169.4 | -100.3 | 0 | 0 | 0 | 109.4 | A9 H95 R122 T123 Y262 | Y7-A9 PolarHBondContact O-N 3.35Å; Y7-A9 VanDerWaalsContact O-N 3.17Å; Y7-H95 AromaticContact CE1-CD2 3.75Å; Y7-H95 AromaticContact CE1-NE2 3.65Å; Y7-H95 AromaticContact CZ-CD2 3.92Å; Y7-H95 AromaticContact CZ-NE2 3.99Å; Y7-H95 PolarHBondContact OH-CD2 3.43Å; Y7-H95 VanDerWaalsContact OH-CD2 3.27Å; Y7-H95 PolarHBondContact OH-CE1 3.44Å; Y7-H95 VanDerWaalsContact OH-CE1 3.28Å; Y7-H95 PolarHBondContact OH-ND1 2.96Å; Y7-H95 PolarHBondContact OH-NE2 3.25Å; Y7-R122 WeakPolarHBondContact CB-O 3.47Å; Y7-R122 WeakPolarHBondContact CD1-O 3.3Å; Y7-T123 HydrophobicContact CD2-CG2 4.03Å; Y7-T123 HydrophobicContact CE2-CG2 3.83Å; Y7-Y262 PolarHBondContact N-OH 3.32Å; Y7-Y262 WeakPolarHBondContact O-CE1 3.36Å; Y7-Y262 PolarHBondContact O-OH 2.65Å |
| 8 | R | 98.1 | Very high | 86.2 | Confident | 100 Ų | 100 | 80.6 Ų | 80.6 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 120.7 | 178.1 | 59 | -175.7 | 176.1 | 162.3 | 4.4 | 110.9 | W15 H95 S125 | R8-W15 VanDerWaalsContact NH1-CE2 3.27Å; R8-H95 PolarHBondContact NH2-CE1 3.05Å; R8-H95 PolarHBondContact NH2-ND1 3.48Å; R8-S125 PolarHBondContact O-OG 2.73Å |
| 9 | A | 98.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | trans | -86.6 | -17.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y7 W113 S125 V126 L259 Y262 L263 | Y7-A9 PolarHBondContact O-N 3.35Å; Y7-A9 VanDerWaalsContact O-N 3.17Å; A9-W113 HydrophobicContact CB-CZ2 4.26Å; A9-S125 CarbonylContact O-C 3.29Å; A9-S125 VanDerWaalsContact O-CA 3.25Å; A9-S125 WeakPolarHBondContact O-CA 3.37Å; A9-V126 PolarHBondContact O-N 2.96Å; A9-L259 HydrophobicContact CB-CD1 3.65Å; A9-Y262 HydrophobicContact CB-CD1 3.55Å; A9-Y262 HydrophobicContact CB-CE1 3.61Å; A9-Y262 HydrophobicContact CB-CG 4.47Å; A9-L263 HydrophobicContact CB-CD2 4.21Å | ||
| 10 | L | 98.9 | Very high | 87.3 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143 | 177.4 | -64.7 | 178.7 | 0 | 0 | 0 | 111.3 | V126 N128 E223 L259 L263 | L10-V126 WeakPolarHBondContact CA-O 3.25Å; L10-V126 HydrophobicContact CD2-CB 4.11Å; L10-N128 HydrophobicContact CB-CB 4.38Å; L10-N128 HydrophobicContact CD1-CB 4.44Å; L10-N128 HydrophobicContact CD2-CB 4.27Å; L10-E223 HydrophobicContact CD1-CB 3.8Å; L10-E223 HydrophobicContact CD1-CG 4.12Å; L10-L259 HydrophobicContact CD2-CD2 4.41Å; L10-L263 HydrophobicContact CD1-CD1 3.72Å; L10-L263 HydrophobicContact CD1-CD2 4.01Å; L10-L263 HydrophobicContact CG-CD1 4.2Å; L10-L263 HydrophobicContact CG-CD2 4.03Å |
| 11 | V | 98.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.9 | 164.1 | -65.6 | 0 | 0 | 0 | 0 | 109.4 | W15 V97 V126 L127 N128 | V11-W15 HydrophobicContact CB-CD2 4.25Å; V11-W15 HydrophobicContact CB-CE3 3.64Å; V11-W15 HydrophobicContact CB-CZ3 4.19Å; V11-W15 HydrophobicContact CG1-CD2 4.2Å; V11-W15 HydrophobicContact CG1-CE3 3.75Å; V11-W15 HydrophobicContact CG1-CZ3 3.96Å; V11-W15 HydrophobicContact CG2-CE3 4.08Å; V11-W15 HydrophobicContact CG2-CZ3 4.33Å; V11-V97 HydrophobicContact CG2-CB 4.45Å; V11-V97 HydrophobicContact CG2-CG1 3.59Å; V11-V97 HydrophobicContact CG2-CG2 3.96Å; V11-V126 PolarHBondContact N-O 2.89Å; V11-L127 HydrophobicContact CG2-CD1 4.14Å; V11-N128 PolarHBondContact O-N 3.21Å |
| 12 | S | 98.9 | Very high | 90.5 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 156.1 | 176.3 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | K14 W15 L16 | S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 2.93Å; S12-W15 PolarHBondContact O-N 3.11Å; S12-W15 VanDerWaalsContact O-N 3.13Å; S12-W15 WeakPolarHBondContact OG-CB 3.42Å; S12-W15 PolarHBondContact OG-N 3.06Å; S12-W15 VanDerWaalsContact OG-N 3.11Å; S12-L16 PolarHBondContact O-N 3.07Å |
| 13 | T | 98.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -46.6 | -50.4 | 165.2 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | W15 L16 A17 L127 N133 W134 E137 | T13-W15 PolarHBondContact O-N 3.02Å; T13-L16 PolarHBondContact O-N 3.22Å; T13-A17 WeakPolarHBondContact O-CB 3.41Å; T13-A17 PolarHBondContact O-N 3.38Å; T13-L127 HydrophobicContact CG2-CD1 4.42Å; T13-N133 HydrophobicContact CG2-CB 4.34Å; T13-W134 HydrophobicContact CG2-CE3 4.47Å; T13-E137 VanDerWaalsContact CB-OE2 3.28Å; T13-E137 WeakPolarHBondContact CB-OE2 3.38Å; T13-E137 PolarHBondContact OG1-OE1 2.98Å; T13-E137 PolarHBondContact OG1-OE2 3.18Å |
| 14 | K | 98.7 | Very high | 95.5 | Very high | 148 Ų | 148 | 64.5 Ų | 64.5 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.5 | -46.1 | 176.2 | -176.1 | 178.3 | 179.1 | 179.9 | 0 | 113.2 | S12 L16 A17 E18 | S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 2.93Å; K14-L16 VanDerWaalsContact C-N 3.34Å; K14-L16 PolarHBondContact O-N 3.08Å; K14-A17 PolarHBondContact O-N 2.94Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 PolarHBondContact O-N 2.68Å |
| 15 | W | 98.8 | Very high | 97 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 180 | 176.6 | 88 | 0 | 0 | 0 | 111.5 | R8 V11 S12 T13 S19 L29 H95 V97 | R8-W15 VanDerWaalsContact NH1-CE2 3.27Å; V11-W15 HydrophobicContact CB-CD2 4.25Å; V11-W15 HydrophobicContact CB-CE3 3.64Å; V11-W15 HydrophobicContact CB-CZ3 4.19Å; V11-W15 HydrophobicContact CG1-CD2 4.2Å; V11-W15 HydrophobicContact CG1-CE3 3.75Å; V11-W15 HydrophobicContact CG1-CZ3 3.96Å; V11-W15 HydrophobicContact CG2-CE3 4.08Å; V11-W15 HydrophobicContact CG2-CZ3 4.33Å; S12-W15 PolarHBondContact O-N 3.11Å; S12-W15 VanDerWaalsContact O-N 3.13Å; S12-W15 WeakPolarHBondContact OG-CB 3.42Å; S12-W15 PolarHBondContact OG-N 3.06Å; S12-W15 VanDerWaalsContact OG-N 3.11Å; T13-W15 PolarHBondContact O-N 3.02Å; W15-S19 WeakPolarHBondContact CZ2-OG 3.49Å; W15-S19 WeakPolarHBondContact O-CB 3.31Å; W15-S19 PolarHBondContact O-N 2.92Å; W15-S19 PolarHBondContact O-OG 2.89Å; W15-L29 HydrophobicContact CH2-CD1 3.93Å; W15-L29 HydrophobicContact CH2-CD2 3.87Å; W15-L29 HydrophobicContact CZ3-CD1 4.34Å; W15-L29 HydrophobicContact CZ3-CD2 4.36Å; W15-H95 AromaticContact CH2-CE1 3.87Å; W15-H95 AromaticContact CH2-ND1 3.83Å; W15-V97 HydrophobicContact CZ3-CG2 4.01Å |
| 16 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.1 | -45.3 | 179.2 | 180 | 60.1 | 0 | 0 | 0 | 110.9 | S12 T13 K14 E18 S19 I20 V31 V53 V97 L127 W134 | S12-L16 PolarHBondContact O-N 3.07Å; T13-L16 PolarHBondContact O-N 3.22Å; K14-L16 VanDerWaalsContact C-N 3.34Å; K14-L16 PolarHBondContact O-N 3.08Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 3.16Å; L16-S19 WeakPolarHBondContact O-CA 3.47Å; L16-S19 WeakPolarHBondContact O-CB 3.42Å; L16-S19 PolarHBondContact O-N 3.01Å; L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.09Å; L16-V31 HydrophobicContact CD1-CG2 3.71Å; L16-V31 HydrophobicContact CD2-CG1 4.22Å; L16-V31 HydrophobicContact CD2-CG2 4.39Å; L16-V53 HydrophobicContact CD2-CG1 4.2Å; L16-V97 HydrophobicContact CD2-CG1 4.22Å; L16-L127 HydrophobicContact CB-CD1 4.11Å; L16-L127 HydrophobicContact CD2-CD1 3.9Å; L16-L127 HydrophobicContact CD2-CD2 4.09Å; L16-W134 HydrophobicContact CB-CZ3 3.95Å; L16-W134 HydrophobicContact CD2-CE3 4.43Å; L16-W134 HydrophobicContact CD2-CH2 4.44Å; L16-W134 HydrophobicContact CD2-CZ3 3.9Å; L16-W134 HydrophobicContact CG-CH2 4.21Å; L16-W134 HydrophobicContact CG-CZ3 3.86Å |
| 17 | A | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T13 K14 I20 R21 W134 H139 | T13-A17 WeakPolarHBondContact O-CB 3.41Å; T13-A17 PolarHBondContact O-N 3.38Å; K14-A17 PolarHBondContact O-N 2.94Å; A17-I20 PolarHBondContact O-N 3.47Å; A17-R21 WeakPolarHBondContact O-CB 3.33Å; A17-R21 PolarHBondContact O-N 2.9Å; A17-W134 HydrophobicContact CB-CH2 3.87Å; A17-W134 HydrophobicContact CB-CZ3 4.02Å; A17-H139 VanDerWaalsContact CB-ND1 3.27Å; A17-H139 WeakPolarHBondContact CB-ND1 3.41Å |
| 18 | E | 98.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 173.4 | 173.6 | 156.3 | -131.3 | 0 | 0 | 112.7 | K14 L16 I20 R21 T22 | K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 PolarHBondContact O-N 2.68Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 3.16Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 2.94Å; E18-R21 PolarHBondContact O-N 3.01Å; E18-R21 IonicContact OE1-NH2 2.81Å; E18-R21 PolarHBondContact OE1-NH2 3.13Å; E18-T22 HydrophobicContact CG-CG2 4.44Å; E18-T22 WeakPolarHBondContact O-CB 3.19Å; E18-T22 WeakPolarHBondContact O-CG2 3.45Å; E18-T22 PolarHBondContact O-N 3.14Å; E18-T22 PolarHBondContact O-OG1 2.71Å |
| 19 | S | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | W15 L16 T22 G23 K24 | W15-S19 WeakPolarHBondContact CZ2-OG 3.49Å; W15-S19 WeakPolarHBondContact O-CB 3.31Å; W15-S19 PolarHBondContact O-N 2.92Å; W15-S19 PolarHBondContact O-OG 2.89Å; L16-S19 WeakPolarHBondContact O-CA 3.47Å; L16-S19 WeakPolarHBondContact O-CB 3.42Å; L16-S19 PolarHBondContact O-N 3.01Å; S19-T22 PolarHBondContact O-OG1 3.32Å; S19-G23 PolarHBondContact O-N 3.17Å; S19-K24 WeakPolarHBondContact O-CB 3.4Å; S19-K24 PolarHBondContact O-N 2.86Å |
| 20 | I | 96.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 18% | 0.179 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -50.4 | 173.6 | -64.5 | 179 | 0 | 0 | 0 | 110.6 | L16 A17 E18 T22 G23 L25 V53 P54 W134 | L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.09Å; A17-I20 PolarHBondContact O-N 3.47Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 2.94Å; I20-T22 PolarHBondContact O-N 2.67Å; I20-G23 PolarHBondContact O-N 3.4Å; I20-L25 HydrophobicContact CD1-CD1 4.25Å; I20-L25 HydrophobicContact CG1-CD1 3.78Å; I20-L25 HydrophobicContact CG1-CD2 4.3Å; I20-L25 HydrophobicContact CG1-CG 3.96Å; I20-V53 HydrophobicContact CD1-CG1 3.35Å; I20-P54 HydrophobicContact CG2-CB 4.34Å; I20-W134 HydrophobicContact CD1-CH2 3.75Å; I20-W134 HydrophobicContact CD1-CZ2 4.12Å |
| 21 | R | 96.8 | Very high | 97.5 | Very high | 175 Ų | 175 | 52.2 Ų | 52.2 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.1 | -34.1 | 179.7 | -173.6 | -177.2 | 66.3 | -124.4 | -0.7 | 112.7 | A17 E18 G23 | A17-R21 WeakPolarHBondContact O-CB 3.33Å; A17-R21 PolarHBondContact O-N 2.9Å; E18-R21 PolarHBondContact O-N 3.01Å; E18-R21 IonicContact OE1-NH2 2.81Å; E18-R21 PolarHBondContact OE1-NH2 3.13Å; R21-G23 VanDerWaalsContact C-N 3.31Å |
| 22 | T | 96.7 | Very high | 97.5 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8.2 | 179 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | E18 S19 I20 K24 | E18-T22 HydrophobicContact CG-CG2 4.44Å; E18-T22 WeakPolarHBondContact O-CB 3.19Å; E18-T22 WeakPolarHBondContact O-CG2 3.45Å; E18-T22 PolarHBondContact O-N 3.14Å; E18-T22 PolarHBondContact O-OG1 2.71Å; S19-T22 PolarHBondContact O-OG1 3.32Å; I20-T22 PolarHBondContact O-N 2.67Å; T22-K24 PolarHBondContact O-N 3.02Å |
| 23 | G | 94.1 | Very high | 97.5 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 64% | 0.639 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 25.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | S19 I20 R21 L25 | S19-G23 PolarHBondContact O-N 3.17Å; I20-G23 PolarHBondContact O-N 3.4Å; R21-G23 VanDerWaalsContact C-N 3.31Å; G23-L25 VanDerWaalsContact C-N 3.34Å |
| 24 | K | 94.7 | Very high | 97.5 | Very high | 121 Ų | 121 | 49.3 Ų | 49.3 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | trans | -79.5 | -13.4 | -177.6 | -65 | -176 | -178.3 | 176.5 | 0 | 114.3 | S19 T22 L29 | S19-K24 WeakPolarHBondContact O-CB 3.4Å; S19-K24 PolarHBondContact O-N 2.86Å; T22-K24 PolarHBondContact O-N 3.02Å; K24-L29 HydrophobicContact CB-CD2 4.27Å | ||
| 25 | L | 94.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | trans | -63.9 | 138.4 | 176.8 | -68.3 | -170.6 | 0 | 0 | 0 | 111 | I20 G23 L29 V31 P54 | I20-L25 HydrophobicContact CD1-CD1 4.25Å; I20-L25 HydrophobicContact CG1-CD1 3.78Å; I20-L25 HydrophobicContact CG1-CD2 4.3Å; I20-L25 HydrophobicContact CG1-CG 3.96Å; G23-L25 VanDerWaalsContact C-N 3.34Å; L25-L29 HydrophobicContact CD2-CD2 3.93Å; L25-L29 HydrophobicContact CD2-CG 3.92Å; L25-V31 HydrophobicContact CD2-CG2 3.69Å; L25-P54 WeakPolarHBondContact CD1-O 3.46Å | ||
| 26 | G | 95.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | 149.7 | -152.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G28 L29 R30 | G26-G28 PolarHBondContact O-N 3.27Å; G26-G28 VanDerWaalsContact O-N 3.13Å; G26-L29 PolarHBondContact N-O 3.02Å; G26-L29 CarbonylContact O-C 3.49Å; G26-L29 VanDerWaalsContact O-C 3.3Å; G26-L29 PolarHBondContact O-N 3.28Å; G26-L29 VanDerWaalsContact O-N 3.14Å; G26-R30 WeakPolarHBondContact O-CD 3.39Å; G26-R30 PolarHBondContact O-NE 3.06Å |
| 27 | P | 96.8 | Very high | 97.5 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -28.2 | -178.2 | -26.6 | 35.5 | 0 | 0 | 0 | 114.6 | T94 | P27-T94 WeakPolarHBondContact O-CB 3.42Å; P27-T94 WeakPolarHBondContact O-CG2 3.14Å; P27-T94 PolarHBondContact O-OG1 3.12Å |
| 28 | G | 97.7 | Very high | 97.2 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -20.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G26 H95 | G26-G28 PolarHBondContact O-N 3.27Å; G26-G28 VanDerWaalsContact O-N 3.13Å; G28-H95 PolarHBondContact O-N 3.29Å |
| 29 | L | 98.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 115.8 | -179.8 | 176.1 | 62.5 | 0 | 0 | 0 | 110 | W15 K24 L25 G26 H95 V97 | W15-L29 HydrophobicContact CH2-CD1 3.93Å; W15-L29 HydrophobicContact CH2-CD2 3.87Å; W15-L29 HydrophobicContact CZ3-CD1 4.34Å; W15-L29 HydrophobicContact CZ3-CD2 4.36Å; K24-L29 HydrophobicContact CB-CD2 4.27Å; L25-L29 HydrophobicContact CD2-CD2 3.93Å; L25-L29 HydrophobicContact CD2-CG 3.92Å; G26-L29 PolarHBondContact N-O 3.02Å; G26-L29 CarbonylContact O-C 3.49Å; G26-L29 VanDerWaalsContact O-C 3.3Å; G26-L29 PolarHBondContact O-N 3.28Å; G26-L29 VanDerWaalsContact O-N 3.14Å; L29-H95 WeakPolarHBondContact CA-O 3.38Å; L29-H95 HydrophobicContact CD1-CB 4.1Å; L29-H95 WeakPolarHBondContact CD1-O 3.37Å; L29-V97 HydrophobicContact CD1-CG2 3.83Å |
| 30 | R | 98.9 | Very high | 96.5 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.2 | 176.3 | -68.9 | -66.4 | -172 | -165.6 | 0.4 | 110.4 | G26 G89 I90 T94 H95 V96 V97 P148 | G26-R30 WeakPolarHBondContact O-CD 3.39Å; G26-R30 PolarHBondContact O-NE 3.06Å; R30-G89 PolarHBondContact NE-O 3.47Å; R30-I90 HydrophobicContact CB-CD1 4.39Å; R30-I90 HydrophobicContact CB-CG1 3.88Å; R30-I90 HydrophobicContact CG-CG1 3.84Å; R30-T94 HydrophobicContact CB-CG2 3.79Å; R30-T94 HydrophobicContact CG-CG2 3.52Å; R30-H95 PolarHBondContact N-O 3.46Å; R30-V96 CarbonylContact O-C 3.56Å; R30-V96 WeakPolarHBondContact O-CA 3.44Å; R30-V97 PolarHBondContact O-N 3.09Å; R30-P148 VanDerWaalsContact NH2-CB 3.29Å |
| 31 | V | 98.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.7 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | L16 L25 V53 A56 S57 V97 Y99 | L16-V31 HydrophobicContact CD1-CG2 3.71Å; L16-V31 HydrophobicContact CD2-CG1 4.22Å; L16-V31 HydrophobicContact CD2-CG2 4.39Å; L25-V31 HydrophobicContact CD2-CG2 3.69Å; V31-V53 HydrophobicContact CG1-CB 4.45Å; V31-V53 HydrophobicContact CG1-CG1 4.35Å; V31-A56 HydrophobicContact CB-CB 3.84Å; V31-A56 HydrophobicContact CG1-CB 3.79Å; V31-A56 CarbonylContact O-C 3.35Å; V31-A56 VanDerWaalsContact O-CA 3.24Å; V31-A56 WeakPolarHBondContact O-CA 3.46Å; V31-S57 PolarHBondContact O-N 2.86Å; V31-V97 CarbonylContact C-O 3.59Å; V31-V97 VanDerWaalsContact CA-O 3.25Å; V31-V97 WeakPolarHBondContact CA-O 3.43Å; V31-V97 HydrophobicContact CG2-CB 4.5Å; V31-Y99 HydrophobicContact CG1-CD1 3.85Å; V31-Y99 HydrophobicContact CG1-CE1 3.81Å |
| 32 | L | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.9 | -178.6 | -62 | 179.4 | 0 | 0 | 0 | 110.7 | S57 F59 L88 I90 V96 V97 V98 Y99 V112 F116 | L32-S57 VanDerWaalsContact CA-O 3.31Å; L32-S57 WeakPolarHBondContact CA-O 3.48Å; L32-F59 HydrophobicContact CB-CB 4.26Å; L32-F59 HydrophobicContact CD1-CB 4.37Å; L32-F59 HydrophobicContact CD1-CD2 3.9Å; L32-L88 HydrophobicContact CD2-CD1 3.81Å; L32-I90 HydrophobicContact CD1-CD1 3.85Å; L32-I90 HydrophobicContact CD2-CD1 4.16Å; L32-I90 HydrophobicContact CG-CD1 4.3Å; L32-V96 HydrophobicContact CD1-CG1 3.67Å; L32-V96 HydrophobicContact CG-CG1 4.12Å; L32-V97 PolarHBondContact N-O 2.9Å; L32-V98 HydrophobicContact CB-CG1 4.34Å; L32-V98 HydrophobicContact CB-CG2 4.44Å; L32-V98 HydrophobicContact CD1-CG2 4.48Å; L32-V98 WeakPolarHBondContact O-CA 3.48Å; L32-Y99 WeakPolarHBondContact O-CD1 3.36Å; L32-Y99 PolarHBondContact O-N 3.21Å; L32-V112 HydrophobicContact CD1-CG1 4.5Å; L32-F116 HydrophobicContact CD1-CE2 3.76Å; L32-F116 HydrophobicContact CD1-CZ 3.97Å |
| 33 | D | 98.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.9 | 162.2 | -167.5 | -33.4 | 0 | 0 | 0 | 108.4 | S35 Y48 S57 F58 F59 Y99 | D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.36Å; D33-S35 PolarHBondContact OD1-OG 2.8Å; D33-Y48 HydrophobicContact CB-CD2 3.68Å; D33-Y48 HydrophobicContact CB-CE2 4.27Å; D33-S57 PolarHBondContact N-O 3.28Å; D33-F58 HydrophobicContact CB-CD2 4.28Å; D33-F59 PolarHBondContact O-N 2.85Å; D33-Y99 HydrophobicContact CB-CE1 4.16Å; D33-Y99 HydrophobicContact CB-CE2 3.84Å; D33-Y99 WeakPolarHBondContact CB-OH 3.36Å; D33-Y99 VanDerWaalsContact CG-CE2 3.4Å; D33-Y99 WeakPolarHBondContact OD2-CE2 3.3Å; D33-Y99 PolarHBondContact OD2-OH 3.39Å |
| 34 | A | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | trans | -103 | 23.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W36 F59 V98 Y99 Y108 V112 | A34-W36 PolarHBondContact O-N 3.04Å; A34-F59 HydrophobicContact CB-CB 4.4Å; A34-V98 HydrophobicContact CB-CG1 3.52Å; A34-Y99 PolarHBondContact N-O 2.93Å; A34-Y108 WeakPolarHBondContact O-CB 3.4Å; A34-V112 HydrophobicContact CB-CB 4.19Å; A34-V112 HydrophobicContact CB-CG2 3.6Å | ||
| 35 | S | 98.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -61.5 | 135.3 | -176.9 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | D33 A44 D100 G101 | D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.36Å; D33-S35 PolarHBondContact OD1-OG 2.8Å; S35-A44 WeakPolarHBondContact O-CB 3.37Å; S35-D100 WeakPolarHBondContact OG-CA 3.37Å; S35-G101 PolarHBondContact OG-N 2.99Å | ||
| 36 | W | 98.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | trans | -146.8 | 142.1 | 167.2 | -177.6 | 103.5 | 0 | 0 | 0 | 108.6 | A34 I61 E62 M73 Y108 K250 | A34-W36 PolarHBondContact O-N 3.04Å; W36-I61 HydrophobicContact CB-CG2 3.86Å; W36-I61 HydrophobicContact CG-CG2 3.85Å; W36-E62 PolarHBondContact NE1-OE1 3.18Å; W36-M73 HydrophobicContact CD2-CE 4.17Å; W36-M73 HydrophobicContact CG-CE 4.48Å; W36-M73 HydrophobicContact CZ2-CE 3.86Å; W36-Y108 HydrophobicContact CB-CD1 3.99Å; W36-Y108 HydrophobicContact CB-CD2 3.89Å; W36-Y108 HydrophobicContact CB-CE1 3.83Å; W36-Y108 HydrophobicContact CB-CE2 3.8Å; W36-Y108 HydrophobicContact CB-CG 4.04Å; W36-Y108 HydrophobicContact CD2-CE1 4.36Å; W36-Y108 HydrophobicContact CD2-CE2 4.08Å; W36-Y108 AromaticContact CD2-CZ 3.69Å; W36-Y108 HydrophobicContact CE3-CE1 4.44Å; W36-Y108 AromaticContact CE3-CE2 3.47Å; W36-Y108 HydrophobicContact CE3-CE2 3.47Å; W36-Y108 VanDerWaalsContact CE3-CE2 3.47Å; W36-Y108 AromaticContact CE3-CZ 3.38Å; W36-Y108 HydrophobicContact CG-CE1 4.15Å; W36-Y108 HydrophobicContact CG-CE2 4.26Å; W36-Y108 AromaticContact CG-CZ 3.89Å; W36-Y108 HydrophobicContact CZ3-CE2 4.36Å; W36-Y108 WeakPolarHBondContact CZ3-OH 3.46Å; W36-Y108 WeakPolarHBondContact O-CD2 3.24Å; W36-Y108 WeakPolarHBondContact O-CE2 3.29Å; W36-K250 VanDerWaalsContact CZ3-NZ 3.31Å | ||
| 37 | Y | 97.6 | Very high | 97.3 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | trans | -135.1 | 156.3 | 179.8 | -50.1 | -70.9 | 0 | 0 | 0 | 110.6 | T41 R42 A44 G101 | Y37-T41 WeakPolarHBondContact CB-OG1 3.07Å; Y37-R42 HydrophobicContact CD1-CB 4.47Å; Y37-R42 HydrophobicContact CD2-CB 3.33Å; Y37-R42 HydrophobicContact CD2-CG 4.43Å; Y37-R42 VanDerWaalsContact CE1-NH1 3.3Å; Y37-R42 HydrophobicContact CE2-CB 3.92Å; Y37-R42 HydrophobicContact CG-CB 3.66Å; Y37-R42 VanDerWaalsContact CZ-NH1 3.32Å; Y37-R42 VanDerWaalsContact OH-CZ 3.24Å; Y37-R42 PolarHBondContact OH-NH1 3.35Å; Y37-R42 PolarHBondContact OH-NH2 2.99Å; Y37-A44 HydrophobicContact CD2-CB 3.74Å; Y37-A44 HydrophobicContact CE2-CB 3.77Å; Y37-G101 VanDerWaalsContact OH-CA 3.27Å; Y37-G101 WeakPolarHBondContact OH-CA 3.37Å; Y37-G101 PolarHBondContact OH-O 2.92Å; Y37-G101 VanDerWaalsContact OH-O 3.09Å | ||
| 38 | S | 93.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | trans | -57.9 | 145 | 178.1 | -74.6 | 0 | 0 | 0 | 0 | 111.7 | G40 T41 D196 | S38-G40 PolarHBondContact O-N 2.92Å; S38-T41 WeakPolarHBondContact O-CB 3.39Å; S38-T41 PolarHBondContact O-N 3.35Å; S38-T41 PolarHBondContact O-OG1 3.45Å; S38-D196 WeakPolarHBondContact CB-OD2 3.29Å; S38-D196 PolarHBondContact OG-OD2 3.41Å | ||
| 39 | P | 90.8 | Very high | 97.4 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 136.6 | 177.3 | -27.3 | 35 | 0 | 0 | 0 | 112.6 | T41 | P39-T41 VanDerWaalsContact C-N 3.32Å; P39-T41 PolarHBondContact O-N 2.95Å |
| 40 | G | 91.1 | Very high | 97.4 | Very high | 91 Ų | 91 | 56.3 Ų | 56.3 | 94% | 0.938 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S38 | S38-G40 PolarHBondContact O-N 2.92Š|
| 41 | T | 95.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 61.2 Ų | 61.2 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -72.8 | 177.1 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | Y37 S38 P39 | Y37-T41 WeakPolarHBondContact CB-OG1 3.07Å; S38-T41 WeakPolarHBondContact O-CB 3.39Å; S38-T41 PolarHBondContact O-N 3.35Å; S38-T41 PolarHBondContact O-OG1 3.45Å; P39-T41 VanDerWaalsContact C-N 3.32Å; P39-T41 PolarHBondContact O-N 2.95Å |
| 42 | R | 97.3 | Very high | 97.4 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | trans | -133.6 | 150.4 | -176.8 | -76.8 | 173.5 | 70.1 | -173.5 | 5.6 | 110.1 | Y37 E47 G101 | Y37-R42 HydrophobicContact CD1-CB 4.47Å; Y37-R42 HydrophobicContact CD2-CB 3.33Å; Y37-R42 HydrophobicContact CD2-CG 4.43Å; Y37-R42 VanDerWaalsContact CE1-NH1 3.3Å; Y37-R42 HydrophobicContact CE2-CB 3.92Å; Y37-R42 HydrophobicContact CG-CB 3.66Å; Y37-R42 VanDerWaalsContact CZ-NH1 3.32Å; Y37-R42 VanDerWaalsContact OH-CZ 3.24Å; Y37-R42 PolarHBondContact OH-NH1 3.35Å; Y37-R42 PolarHBondContact OH-NH2 2.99Å; R42-E47 WeakPolarHBondContact CB-OE1 3.11Å; R42-E47 WeakPolarHBondContact CG-OE1 3.43Å; R42-E47 IonicContact CZ-OE1 2.81Å; R42-E47 IonicContact CZ-OE2 2.82Å; R42-E47 VanDerWaalsContact CZ-OE2 3.3Å; R42-E47 IonicContact NE-OE1 3.34Å; R42-E47 PolarHBondContact NE-OE1 3.28Å; R42-E47 IonicContact NE-OE2 3.82Å; R42-E47 PolarHBondContact NE-OE2 3.34Å; R42-E47 IonicContact NH2-OE1 2.74Å; R42-E47 IonicContact NH2-OE2 3.67Å; R42-E47 PolarHBondContact NH2-OE2 2.59Å; R42-G101 PolarHBondContact NH1-O 2.94Å; R42-G101 PolarHBondContact NH2-O 2.81Å | ||
| 43 | E | 97.8 | Very high | 97.4 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | trans | -103.3 | 81.1 | -177.7 | -63.4 | -176.4 | 87 | 0 | 0 | 110.4 | R45 K46 E47 | E43-R45 PolarHBondContact O-N 3.4Å; E43-K46 HydrophobicContact CB-CB 3.82Å; E43-K46 HydrophobicContact CB-CD 4.22Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.28Å; E43-K46 VanDerWaalsContact OE2-CD 3.27Å; E43-K46 WeakPolarHBondContact OE2-CD 3.35Å; E43-K46 IonicContact OE2-NZ 2.73Å; E43-K46 PolarHBondContact OE2-NZ 3.39Å; E43-E47 PolarHBondContact O-N 2.92Å | ||
| 44 | A | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -50.2 | -48 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S35 Y37 K46 E47 Y48 F58 | S35-A44 WeakPolarHBondContact O-CB 3.37Å; Y37-A44 HydrophobicContact CD2-CB 3.74Å; Y37-A44 HydrophobicContact CE2-CB 3.77Å; A44-K46 VanDerWaalsContact C-N 3.32Å; A44-K46 PolarHBondContact O-N 3.02Å; A44-E47 PolarHBondContact O-N 3.11Å; A44-Y48 PolarHBondContact O-N 3.13Å; A44-F58 HydrophobicContact CB-CE2 4.26Å; A44-F58 HydrophobicContact CB-CZ 4.17Å |
| 45 | R | 98.3 | Very high | 97.3 | Very high | 151 Ų | 151 | 63.9 Ų | 63.9 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | 179.4 | -170.8 | 177.1 | -169.7 | -80.4 | -1.3 | 112.6 | E43 L49 F58 | E43-R45 PolarHBondContact O-N 3.4Å; R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.46Å; R45-L49 PolarHBondContact O-N 3.2Å; R45-L49 VanDerWaalsContact O-N 3.12Å; R45-F58 HydrophobicContact CB-CD1 4.47Å; R45-F58 HydrophobicContact CB-CE1 3.97Å; R45-F58 HydrophobicContact CB-CZ 4.08Å; R45-F58 HydrophobicContact CG-CD1 4.19Å; R45-F58 HydrophobicContact CG-CE1 4.14Å |
| 46 | K | 98.5 | Very high | 97.3 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.6 | -44.3 | 178.2 | 179 | -179.4 | 168.4 | -173.9 | 0 | 110.7 | E43 A44 Y48 L49 E50 | E43-K46 HydrophobicContact CB-CB 3.82Å; E43-K46 HydrophobicContact CB-CD 4.22Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.28Å; E43-K46 VanDerWaalsContact OE2-CD 3.27Å; E43-K46 WeakPolarHBondContact OE2-CD 3.35Å; E43-K46 IonicContact OE2-NZ 2.73Å; E43-K46 PolarHBondContact OE2-NZ 3.39Å; A44-K46 VanDerWaalsContact C-N 3.32Å; A44-K46 PolarHBondContact O-N 3.02Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 2.99Å; K46-L49 PolarHBondContact O-N 2.85Å; K46-L49 VanDerWaalsContact O-N 3.14Å; K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.28Å; K46-E50 PolarHBondContact O-N 2.87Å |
| 47 | E | 98.7 | Very high | 97.3 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175.4 | -68 | -176.3 | -168.1 | 0 | 0 | 112 | R42 E43 A44 E50 R51 | R42-E47 WeakPolarHBondContact CB-OE1 3.11Å; R42-E47 WeakPolarHBondContact CG-OE1 3.43Å; R42-E47 IonicContact CZ-OE1 2.81Å; R42-E47 IonicContact CZ-OE2 2.82Å; R42-E47 VanDerWaalsContact CZ-OE2 3.3Å; R42-E47 IonicContact NE-OE1 3.34Å; R42-E47 PolarHBondContact NE-OE1 3.28Å; R42-E47 IonicContact NE-OE2 3.82Å; R42-E47 PolarHBondContact NE-OE2 3.34Å; R42-E47 IonicContact NH2-OE1 2.74Å; R42-E47 IonicContact NH2-OE2 3.67Å; R42-E47 PolarHBondContact NH2-OE2 2.59Å; E43-E47 PolarHBondContact O-N 2.92Å; A44-E47 PolarHBondContact O-N 3.11Å; E47-E50 PolarHBondContact O-N 3.39Å; E47-R51 PolarHBondContact O-N 3.33Å |
| 48 | Y | 98.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 172.5 | 163.2 | -93.1 | 0 | 0 | 0 | 111.7 | D33 A44 K46 E50 R51 H52 A56 S57 F58 | D33-Y48 HydrophobicContact CB-CD2 3.68Å; D33-Y48 HydrophobicContact CB-CE2 4.27Å; A44-Y48 PolarHBondContact O-N 3.13Å; K46-Y48 VanDerWaalsContact C-N 3.3Å; K46-Y48 PolarHBondContact O-N 2.99Å; Y48-E50 PolarHBondContact O-N 3.31Å; Y48-R51 CarbonylContact O-C 3.44Å; Y48-R51 VanDerWaalsContact O-C 3.29Å; Y48-R51 PolarHBondContact O-N 2.93Å; Y48-H52 HydrophobicContact CD2-CB 3.41Å; Y48-H52 VanDerWaalsContact CD2-CB 3.41Å; Y48-H52 AromaticContact CD2-CG 3.79Å; Y48-H52 HydrophobicContact CE2-CB 3.51Å; Y48-H52 AromaticContact CE2-CD2 3.73Å; Y48-H52 AromaticContact CE2-CG 3.46Å; Y48-H52 VanDerWaalsContact CE2-CG 3.46Å; Y48-H52 AromaticContact CE2-ND1 3.91Å; Y48-H52 HydrophobicContact CG-CB 4.3Å; Y48-H52 AromaticContact CZ-CG 3.97Å; Y48-H52 PolarHBondContact O-ND1 3.31Å; Y48-A56 WeakPolarHBondContact CE2-O 3.2Å; Y48-A56 PolarHBondContact OH-O 2.84Å; Y48-S57 WeakPolarHBondContact OH-CA 3.35Å; Y48-F58 HydrophobicContact CD1-CB 3.68Å; Y48-F58 HydrophobicContact CD1-CD2 4.3Å; Y48-F58 HydrophobicContact CD1-CG 4.23Å; Y48-F58 HydrophobicContact CD2-CB 4.11Å; Y48-F58 HydrophobicContact CD2-CD2 4.25Å; Y48-F58 HydrophobicContact CE1-CB 3.74Å; Y48-F58 HydrophobicContact CE2-CB 4.17Å; Y48-F58 HydrophobicContact CG-CB 3.89Å; Y48-F58 AromaticContact CG-CD2 3.84Å; Y48-F58 HydrophobicContact CG-CD2 3.84Å; Y48-F58 HydrophobicContact CG-CG 4.21Å |
| 49 | L | 98.7 | Very high | 97.6 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 41% | 0.414 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -32.9 | -179.3 | -71.7 | 172.2 | 0 | 0 | 0 | 112.6 | R45 K46 S143 | R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.46Å; R45-L49 PolarHBondContact O-N 3.2Å; R45-L49 VanDerWaalsContact O-N 3.12Å; K46-L49 PolarHBondContact O-N 2.85Å; K46-L49 VanDerWaalsContact O-N 3.14Å; L49-S143 WeakPolarHBondContact O-CA 3.49Å; L49-S143 VanDerWaalsContact O-CB 3.32Å; L49-S143 WeakPolarHBondContact O-CB 3.37Å |
| 50 | E | 98.7 | Very high | 98 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.7 | -44 | 176.2 | -70.3 | 171.5 | -173.7 | 0 | 0 | 111.9 | K46 E47 Y48 S143 | K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 WeakPolarHBondContact O-CG 3.28Å; K46-E50 PolarHBondContact O-N 2.87Å; E47-E50 PolarHBondContact O-N 3.39Å; Y48-E50 PolarHBondContact O-N 3.31Å; E50-S143 WeakPolarHBondContact O-CB 3.44Å |
| 51 | R | 98.6 | Very high | 98.4 | Very high | 134 Ų | 134 | 52 Ų | 52 | 51% | 0.506 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -151.2 | 119.5 | -178.4 | -64.8 | -178.8 | -66.4 | 172.8 | 1.4 | 111.5 | E47 Y48 F131 V141 T142 | E47-R51 PolarHBondContact O-N 3.33Å; Y48-R51 CarbonylContact O-C 3.44Å; Y48-R51 VanDerWaalsContact O-C 3.29Å; Y48-R51 PolarHBondContact O-N 2.93Å; R51-F131 HydrophobicContact CB-CE1 4.41Å; R51-F131 HydrophobicContact CB-CZ 4.17Å; R51-F131 WeakPolarHBondContact O-CZ 3.43Å; R51-V141 HydrophobicContact CG-CG2 4.44Å; R51-T142 CarbonylContact C-O 3.53Å; R51-T142 WeakPolarHBondContact CA-O 3.49Å |
| 52 | H | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -141.3 | 167 | 170.6 | 55.5 | -84.5 | 0 | 0 | 0 | 111.6 | Y48 V141 T142 E144 | Y48-H52 HydrophobicContact CD2-CB 3.41Å; Y48-H52 VanDerWaalsContact CD2-CB 3.41Å; Y48-H52 AromaticContact CD2-CG 3.79Å; Y48-H52 HydrophobicContact CE2-CB 3.51Å; Y48-H52 AromaticContact CE2-CD2 3.73Å; Y48-H52 AromaticContact CE2-CG 3.46Å; Y48-H52 VanDerWaalsContact CE2-CG 3.46Å; Y48-H52 AromaticContact CE2-ND1 3.91Å; Y48-H52 HydrophobicContact CG-CB 4.3Å; Y48-H52 AromaticContact CZ-CG 3.97Å; Y48-H52 PolarHBondContact O-ND1 3.31Å; H52-V141 CarbonylContact O-C 3.47Å; H52-V141 VanDerWaalsContact O-CA 3.31Å; H52-V141 WeakPolarHBondContact O-CA 3.41Å; H52-T142 PolarHBondContact CE1-O 3Å; H52-T142 PolarHBondContact N-O 3.31Å; H52-T142 PolarHBondContact ND1-O 2.98Å; H52-T142 VanDerWaalsContact ND1-O 3.13Å; H52-T142 PolarHBondContact O-N 3.02Å; H52-E144 PolarHBondContact CE1-O 3.41Å; H52-E144 PolarHBondContact NE2-O 2.96Å |
| 53 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -60 | 131.3 | 170.9 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | L16 I20 V31 G55 A56 Y99 F131 W134 | L16-V53 HydrophobicContact CD2-CG1 4.2Å; I20-V53 HydrophobicContact CD1-CG1 3.35Å; V31-V53 HydrophobicContact CG1-CB 4.45Å; V31-V53 HydrophobicContact CG1-CG1 4.35Å; V53-G55 PolarHBondContact O-N 3.46Å; V53-A56 HydrophobicContact CB-CB 4.07Å; V53-A56 WeakPolarHBondContact O-CB 3.25Å; V53-A56 PolarHBondContact O-N 2.69Å; V53-Y99 HydrophobicContact CB-CE1 3.94Å; V53-Y99 HydrophobicContact CG2-CD1 4.15Å; V53-Y99 HydrophobicContact CG2-CE1 3.51Å; V53-Y99 PolarHBondContact N-OH 3.35Å; V53-F131 HydrophobicContact CG2-CD2 4.12Å; V53-F131 HydrophobicContact CG2-CE2 4.1Å; V53-W134 HydrophobicContact CB-CZ2 4.41Å; V53-W134 HydrophobicContact CG1-CH2 3.98Å; V53-W134 HydrophobicContact CG1-CZ2 3.78Å; V53-W134 HydrophobicContact CG2-CD2 3.87Å; V53-W134 HydrophobicContact CG2-CE3 4.38Å; V53-W134 HydrophobicContact CG2-CG 4.17Å; V53-W134 HydrophobicContact CG2-CZ2 4.14Å | ||
| 54 | P | 98.6 | Very high | 98.6 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 20% | 0.195 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 128.5 | -178.3 | -29.2 | 35.1 | 0 | 0 | 0 | 112.7 | I20 L25 A56 P140 T142 | I20-P54 HydrophobicContact CG2-CB 4.34Å; L25-P54 WeakPolarHBondContact CD1-O 3.46Å; P54-A56 VanDerWaalsContact C-N 3.27Å; P54-A56 PolarHBondContact O-N 2.84Å; P54-P140 WeakPolarHBondContact CD-O 3.34Å; P54-P140 HydrophobicContact CG-CB 4.15Å; P54-T142 HydrophobicContact CB-CG2 4.29Å; P54-T142 HydrophobicContact CG-CG2 4.37Å |
| 55 | G | 97.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 2.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V53 S146 | V53-G55 PolarHBondContact O-N 3.46Å; G55-S146 WeakPolarHBondContact CA-OG 3.26Å |
| 56 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 144.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V31 Y48 V53 P54 Y99 S146 | V31-A56 HydrophobicContact CB-CB 3.84Å; V31-A56 HydrophobicContact CG1-CB 3.79Å; V31-A56 CarbonylContact O-C 3.35Å; V31-A56 VanDerWaalsContact O-CA 3.24Å; V31-A56 WeakPolarHBondContact O-CA 3.46Å; Y48-A56 WeakPolarHBondContact CE2-O 3.2Å; Y48-A56 PolarHBondContact OH-O 2.84Å; V53-A56 HydrophobicContact CB-CB 4.07Å; V53-A56 WeakPolarHBondContact O-CB 3.25Å; V53-A56 PolarHBondContact O-N 2.69Å; P54-A56 VanDerWaalsContact C-N 3.27Å; P54-A56 PolarHBondContact O-N 2.84Å; A56-Y99 HydrophobicContact CB-CE1 4.19Å; A56-S146 VanDerWaalsContact O-CB 3.29Å; A56-S146 WeakPolarHBondContact O-CB 3.46Å; A56-S146 PolarHBondContact O-OG 2.87Å |
| 57 | S | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.7 | 171 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | V31 L32 D33 Y48 | V31-S57 PolarHBondContact O-N 2.86Å; L32-S57 VanDerWaalsContact CA-O 3.31Å; L32-S57 WeakPolarHBondContact CA-O 3.48Å; D33-S57 PolarHBondContact N-O 3.28Å; Y48-S57 WeakPolarHBondContact OH-CA 3.35Å |
| 58 | F | 98.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 46 Ų | 46 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.3 | 171 | -171.1 | -111.3 | 0 | 0 | 0 | 110.3 | D33 A44 R45 Y48 D60 | D33-F58 HydrophobicContact CB-CD2 4.28Å; A44-F58 HydrophobicContact CB-CE2 4.26Å; A44-F58 HydrophobicContact CB-CZ 4.17Å; R45-F58 HydrophobicContact CB-CD1 4.47Å; R45-F58 HydrophobicContact CB-CE1 3.97Å; R45-F58 HydrophobicContact CB-CZ 4.08Å; R45-F58 HydrophobicContact CG-CD1 4.19Å; R45-F58 HydrophobicContact CG-CE1 4.14Å; Y48-F58 HydrophobicContact CD1-CB 3.68Å; Y48-F58 HydrophobicContact CD1-CD2 4.3Å; Y48-F58 HydrophobicContact CD1-CG 4.23Å; Y48-F58 HydrophobicContact CD2-CB 4.11Å; Y48-F58 HydrophobicContact CD2-CD2 4.25Å; Y48-F58 HydrophobicContact CE1-CB 3.74Å; Y48-F58 HydrophobicContact CE2-CB 4.17Å; Y48-F58 HydrophobicContact CG-CB 3.89Å; Y48-F58 AromaticContact CG-CD2 3.84Å; Y48-F58 HydrophobicContact CG-CD2 3.84Å; Y48-F58 HydrophobicContact CG-CG 4.21Å; F58-D60 HydrophobicContact CD1-CB 3.98Å; F58-D60 HydrophobicContact CE1-CB 3.71Å |
| 59 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -100 | 104.9 | 169.6 | -174.9 | -76.6 | 0 | 0 | 0 | 108.2 | L32 D33 A34 I61 C64 F81 Y84 V85 L88 V112 M115 | L32-F59 HydrophobicContact CB-CB 4.26Å; L32-F59 HydrophobicContact CD1-CB 4.37Å; L32-F59 HydrophobicContact CD1-CD2 3.9Å; D33-F59 PolarHBondContact O-N 2.85Å; A34-F59 HydrophobicContact CB-CB 4.4Å; F59-I61 HydrophobicContact CE1-CB 4.48Å; F59-I61 HydrophobicContact CE1-CD1 3.9Å; F59-I61 PolarHBondContact O-N 3.05Å; F59-C64 HydrophobicContact CE1-CB 3.86Å; F59-C64 HydrophobicContact CE2-CB 4.34Å; F59-C64 HydrophobicContact CZ-CB 3.6Å; F59-C64 VanDerWaalsContact CZ-SG 3.55Å; F59-F81 HydrophobicContact CE2-CE2 4.46Å; F59-F81 HydrophobicContact CZ-CE2 4.46Å; F59-Y84 HydrophobicContact CD2-CD1 4.26Å; F59-Y84 AromaticContact CD2-CE1 3.6Å; F59-Y84 HydrophobicContact CD2-CE1 3.6Å; F59-Y84 AromaticContact CE2-CD1 3.9Å; F59-Y84 HydrophobicContact CE2-CD1 3.9Å; F59-Y84 AromaticContact CE2-CE1 3.65Å; F59-Y84 HydrophobicContact CE2-CE1 3.65Å; F59-Y84 HydrophobicContact CG-CE1 4.14Å; F59-Y84 HydrophobicContact CZ-CD1 4.45Å; F59-Y84 HydrophobicContact CZ-CE1 4.2Å; F59-V85 HydrophobicContact CE2-CG1 4.23Å; F59-L88 HydrophobicContact CD2-CD1 4.22Å; F59-V112 HydrophobicContact CD1-CG1 4.17Å; F59-V112 HydrophobicContact CD1-CG2 3.52Å; F59-V112 HydrophobicContact CD2-CG1 3.98Å; F59-V112 HydrophobicContact CE1-CB 4.46Å; F59-V112 HydrophobicContact CE1-CG1 4.15Å; F59-V112 HydrophobicContact CE1-CG2 3.5Å; F59-V112 VanDerWaalsContact CE1-CG2 3.5Å; F59-V112 HydrophobicContact CE2-CG1 3.93Å; F59-V112 HydrophobicContact CG-CG1 4.1Å; F59-V112 HydrophobicContact CG-CG2 4.21Å; F59-V112 HydrophobicContact CZ-CG1 4.02Å; F59-V112 HydrophobicContact CZ-CG2 4.14Å; F59-M115 HydrophobicContact CE1-CE 4.28Å; F59-M115 HydrophobicContact CE1-SD 4.38Å; F59-M115 HydrophobicContact CZ-CE 3.84Å; F59-M115 HydrophobicContact CZ-SD 4.29Å | ||
| 60 | D | 98.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | trans | -85.5 | 104.4 | 177.2 | -162.2 | -28.3 | 0 | 0 | 0 | 110.7 | F58 E62 E63 C64 Y84 | F58-D60 HydrophobicContact CD1-CB 3.98Å; F58-D60 HydrophobicContact CE1-CB 3.71Å; D60-E62 PolarHBondContact O-N 2.67Å; D60-E62 WeakPolarHBondContact OD1-CA 3.02Å; D60-E62 VanDerWaalsContact OD1-CB 3.31Å; D60-E62 WeakPolarHBondContact OD1-CB 3.26Å; D60-E62 PolarHBondContact OD1-N 2.85Å; D60-E63 HydrophobicContact CB-CB 4.2Å; D60-E63 HydrophobicContact CB-CG 4.14Å; D60-E63 PolarHBondContact O-N 2.86Å; D60-C64 WeakPolarHBondContact O-CB 3.49Å; D60-C64 PolarHBondContact O-N 3.2Å; D60-Y84 PolarHBondContact N-OH 3.45Å | ||
| 61 | I | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.7 | 177.4 | -165.7 | 65 | 0 | 0 | 0 | 112.8 | W36 F59 R65 M73 Y108 R111 M115 | W36-I61 HydrophobicContact CB-CG2 3.86Å; W36-I61 HydrophobicContact CG-CG2 3.85Å; F59-I61 HydrophobicContact CE1-CB 4.48Å; F59-I61 HydrophobicContact CE1-CD1 3.9Å; F59-I61 PolarHBondContact O-N 3.05Å; I61-R65 WeakPolarHBondContact O-CD 3.36Å; I61-R65 WeakPolarHBondContact O-CG 3.37Å; I61-M73 HydrophobicContact CB-SD 4.47Å; I61-M73 HydrophobicContact CG1-SD 3.72Å; I61-M73 HydrophobicContact CG2-CE 4.11Å; I61-M73 HydrophobicContact CG2-SD 4.01Å; I61-Y108 HydrophobicContact CG1-CD1 4.47Å; I61-Y108 HydrophobicContact CG1-CE1 4.35Å; I61-Y108 HydrophobicContact CG2-CD1 4.21Å; I61-Y108 HydrophobicContact CG2-CE1 3.94Å; I61-R111 HydrophobicContact CD1-CG 4.33Å; I61-M115 HydrophobicContact CD1-CE 3.95Å; I61-M115 HydrophobicContact CD1-SD 3.48Å; I61-M115 WeakPolarHBondContact CD1-SD 3.44Å |
| 62 | E | 97.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -28.2 | 175.3 | -68.1 | -69.2 | 169.5 | 0 | 0 | 112.2 | W36 D60 R65 M73 | W36-E62 PolarHBondContact NE1-OE1 3.18Å; D60-E62 PolarHBondContact O-N 2.67Å; D60-E62 WeakPolarHBondContact OD1-CA 3.02Å; D60-E62 VanDerWaalsContact OD1-CB 3.31Å; D60-E62 WeakPolarHBondContact OD1-CB 3.26Å; D60-E62 PolarHBondContact OD1-N 2.85Å; E62-R65 WeakPolarHBondContact O-CG 3.33Å; E62-R65 PolarHBondContact O-NE 3.43Å; E62-R65 IonicContact OE2-CZ 2.67Å; E62-R65 VanDerWaalsContact OE2-CZ 3.28Å; E62-R65 IonicContact OE2-NE 2.73Å; E62-R65 PolarHBondContact OE2-NE 3.38Å; E62-R65 IonicContact OE2-NH2 3.15Å; E62-R65 PolarHBondContact OE2-NH2 3.09Å; E62-M73 WeakPolarHBondContact OE1-CE 3.44Å |
| 63 | E | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.593 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -39.4 | 171.7 | -65.4 | -169.7 | 171.4 | 0 | 0 | 112 | D60 R65 Y84 | D60-E63 HydrophobicContact CB-CB 4.2Å; D60-E63 HydrophobicContact CB-CG 4.14Å; D60-E63 PolarHBondContact O-N 2.86Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 2.98Å; E63-R65 VanDerWaalsContact O-N 3.1Å; E63-Y84 HydrophobicContact CB-CD2 4.47Å; E63-Y84 HydrophobicContact CB-CE2 3.86Å |
| 64 | C | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.6 | 53.1 | -176.4 | -159 | 0 | 0 | 0 | 0 | 112.7 | F59 D60 Y84 M115 | F59-C64 HydrophobicContact CE1-CB 3.86Å; F59-C64 HydrophobicContact CE2-CB 4.34Å; F59-C64 HydrophobicContact CZ-CB 3.6Å; F59-C64 VanDerWaalsContact CZ-SG 3.55Å; D60-C64 WeakPolarHBondContact O-CB 3.49Å; D60-C64 PolarHBondContact O-N 3.2Å; C64-Y84 HydrophobicContact CB-CD1 3.75Å; C64-Y84 HydrophobicContact CB-CD2 4.09Å; C64-Y84 HydrophobicContact CB-CE1 3.84Å; C64-Y84 HydrophobicContact CB-CE2 4.19Å; C64-Y84 HydrophobicContact CB-CG 3.9Å; C64-Y84 WeakPolarHBondContact SG-CD1 3.22Å; C64-M115 WeakPolarHBondContact O-CE 3.15Å |
| 65 | R | 98.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -144.8 | 168.3 | 178.4 | 62.9 | 175.8 | -178.5 | 76.9 | 1.5 | 111.6 | I61 E62 E63 T67 M74 | I61-R65 WeakPolarHBondContact O-CD 3.36Å; I61-R65 WeakPolarHBondContact O-CG 3.37Å; E62-R65 WeakPolarHBondContact O-CG 3.33Å; E62-R65 PolarHBondContact O-NE 3.43Å; E62-R65 IonicContact OE2-CZ 2.67Å; E62-R65 VanDerWaalsContact OE2-CZ 3.28Å; E62-R65 IonicContact OE2-NE 2.73Å; E62-R65 PolarHBondContact OE2-NE 3.38Å; E62-R65 IonicContact OE2-NH2 3.15Å; E62-R65 PolarHBondContact OE2-NH2 3.09Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 2.98Å; E63-R65 VanDerWaalsContact O-N 3.1Å; R65-T67 HydrophobicContact CG-CG2 4.23Å; R65-T67 PolarHBondContact O-N 3.05Å; R65-M74 CarbonylContact C-O 3.58Å; R65-M74 VanDerWaalsContact CA-O 3.28Å; R65-M74 WeakPolarHBondContact CA-O 3.26Å; R65-M74 VanDerWaalsContact CB-O 3.23Å; R65-M74 WeakPolarHBondContact CB-O 3.43Å |
| 66 | D | 98.4 | Very high | 97.8 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | trans | -72 | 109.7 | 164.8 | -179.7 | 5.7 | 0 | 0 | 0 | 109.5 | A68 S69 M74 L75 | D66-A68 WeakPolarHBondContact OD1-CB 3.25Å; D66-A68 PolarHBondContact OD1-N 3.27Å; D66-S69 PolarHBondContact OD1-N 2.95Å; D66-S69 WeakPolarHBondContact OD2-CB 2.94Å; D66-M74 HydrophobicContact CB-CB 4.14Å; D66-M74 PolarHBondContact N-O 3.48Å; D66-L75 WeakPolarHBondContact CB-O 3.32Å | ||
| 67 | T | 97.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 45 Ų | 45 | 61% | 0.613 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -85.3 | -12 | 179.1 | 56 | 0 | 0 | 0 | 0 | 113.7 | R65 | R65-T67 HydrophobicContact CG-CG2 4.23Å; R65-T67 PolarHBondContact O-N 3.05Å |
| 68 | A | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 74% | 0.744 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -86.4 | -21.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D66 | D66-A68 WeakPolarHBondContact OD1-CB 3.25Å; D66-A68 PolarHBondContact OD1-N 3.27Å |
| 69 | S | 97.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | trans | -62.3 | 138 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 112 | D66 Y71 M74 | D66-S69 PolarHBondContact OD1-N 2.95Å; D66-S69 WeakPolarHBondContact OD2-CB 2.94Å; S69-Y71 PolarHBondContact O-N 2.99Å; S69-Y71 PolarHBondContact OG-N 3.29Å; S69-Y71 PolarHBondContact OG-O 2.82Å; S69-M74 VanDerWaalsContact OG-CG 3.24Å; S69-M74 WeakPolarHBondContact OG-CG 3.41Å | ||
| 70 | P | 95.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 52 Ų | 52 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -75.8 | -3.9 | 170 | 34.2 | -36.5 | 0 | 0 | 0 | 113 | ||
| 71 | Y | 96.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -104.8 | 149.5 | -177.9 | -46.3 | -54.6 | 0 | 0 | 0 | 111.6 | S69 E278 R281 R282 | S69-Y71 PolarHBondContact O-N 2.99Å; S69-Y71 PolarHBondContact OG-N 3.29Å; S69-Y71 PolarHBondContact OG-O 2.82Å; Y71-E278 HydrophobicContact CD1-CB 4.04Å; Y71-E278 HydrophobicContact CD1-CG 4.24Å; Y71-E278 HydrophobicContact CD2-CB 4.24Å; Y71-E278 HydrophobicContact CD2-CG 3.97Å; Y71-E278 HydrophobicContact CE1-CB 4.35Å; Y71-E278 HydrophobicContact CE1-CG 4.12Å; Y71-E278 HydrophobicContact CE2-CG 3.83Å; Y71-E278 HydrophobicContact CG-CB 4Å; Y71-E278 HydrophobicContact CG-CG 4.19Å; Y71-R281 HydrophobicContact CE1-CB 4.38Å; Y71-R282 HydrophobicContact CE1-CG 4.47Å; Y71-R282 VanDerWaalsContact OH-CD 3.24Å; Y71-R282 WeakPolarHBondContact OH-CD 3.48Å; Y71-R282 VanDerWaalsContact OH-CG 3.31Å; Y71-R282 WeakPolarHBondContact OH-CG 3.42Å |
| 72 | E | 94.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 137.2 | -173.9 | -60.4 | 174.8 | 91.8 | 0 | 0 | 112.1 | M74 R249 K250 S277 | E72-M74 PolarHBondContact O-N 2.87Å; E72-M74 VanDerWaalsContact O-N 3.1Å; E72-R249 IonicContact OE1-NH2 3.71Å; E72-R249 IonicContact OE2-CZ 2.7Å; E72-R249 IonicContact OE2-NE 3.7Å; E72-R249 PolarHBondContact OE2-NE 3.46Å; E72-R249 IonicContact OE2-NH2 3.43Å; E72-R249 PolarHBondContact OE2-NH2 2.7Å; E72-K250 HydrophobicContact CB-CB 3.7Å; E72-K250 HydrophobicContact CB-CD 4.06Å; E72-S277 WeakPolarHBondContact OE2-CB 3.31Å; E72-S277 PolarHBondContact OE2-OG 2.62Å |
| 73 | M | 95.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 22.4 | 165.1 | -58.3 | -66.6 | 174.3 | 0 | 0 | 116.3 | W36 I61 E62 R111 K250 V252 | W36-M73 HydrophobicContact CD2-CE 4.17Å; W36-M73 HydrophobicContact CG-CE 4.48Å; W36-M73 HydrophobicContact CZ2-CE 3.86Å; I61-M73 HydrophobicContact CB-SD 4.47Å; I61-M73 HydrophobicContact CG1-SD 3.72Å; I61-M73 HydrophobicContact CG2-CE 4.11Å; I61-M73 HydrophobicContact CG2-SD 4.01Å; E62-M73 WeakPolarHBondContact OE1-CE 3.44Å; M73-R111 PolarHBondContact O-NH2 2.89Å; M73-K250 HydrophobicContact CB-CB 4.49Å; M73-K250 HydrophobicContact CG-CD 3.79Å; M73-K250 HydrophobicContact CG-CG 4.29Å; M73-V252 HydrophobicContact CB-CG2 4.4Å; M73-V252 HydrophobicContact CG-CG2 4.33Å |
| 74 | M | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | trans | -59.7 | 144.6 | 179.1 | -62.5 | -57.1 | -69.2 | 0 | 0 | 112.2 | R65 D66 S69 E72 D273 G274 | R65-M74 CarbonylContact C-O 3.58Å; R65-M74 VanDerWaalsContact CA-O 3.28Å; R65-M74 WeakPolarHBondContact CA-O 3.26Å; R65-M74 VanDerWaalsContact CB-O 3.23Å; R65-M74 WeakPolarHBondContact CB-O 3.43Å; D66-M74 HydrophobicContact CB-CB 4.14Å; D66-M74 PolarHBondContact N-O 3.48Å; S69-M74 VanDerWaalsContact OG-CG 3.24Å; S69-M74 WeakPolarHBondContact OG-CG 3.41Å; E72-M74 PolarHBondContact O-N 2.87Å; E72-M74 VanDerWaalsContact O-N 3.1Å; M74-D273 WeakPolarHBondContact CA-OD2 3.31Å; M74-D273 HydrophobicContact CE-CB 4.17Å; M74-D273 HydrophobicContact SD-CB 4.47Å; M74-G274 VanDerWaalsContact SD-CA 3.51Å | ||
| 75 | L | 98.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | trans | -50.8 | 138.1 | 173.9 | -78.4 | 177.4 | 0 | 0 | 0 | 111.7 | D66 W114 M115 V118 F119 L157 L162 D273 | D66-L75 WeakPolarHBondContact CB-O 3.32Å; L75-W114 HydrophobicContact CD1-CH2 3.54Å; L75-W114 HydrophobicContact CD1-CZ2 4.46Å; L75-W114 HydrophobicContact CD1-CZ3 3.97Å; L75-W114 HydrophobicContact CD2-CE3 4.49Å; L75-W114 HydrophobicContact CD2-CH2 4.07Å; L75-W114 HydrophobicContact CD2-CZ3 3.58Å; L75-W114 HydrophobicContact CG-CH2 3.85Å; L75-W114 HydrophobicContact CG-CZ3 3.82Å; L75-M115 HydrophobicContact CD2-CB 4.48Å; L75-M115 HydrophobicContact CD2-CE 4.46Å; L75-M115 HydrophobicContact CD2-CG 3.82Å; L75-V118 HydrophobicContact CD1-CG1 3.85Å; L75-V118 HydrophobicContact CD1-CG2 4.25Å; L75-V118 HydrophobicContact CD2-CG1 3.96Å; L75-F119 HydrophobicContact CB-CZ 4.46Å; L75-F119 HydrophobicContact CD2-CE2 3.82Å; L75-F119 HydrophobicContact CD2-CZ 4.17Å; L75-L157 HydrophobicContact CD1-CD1 4.23Å; L75-L162 HydrophobicContact CD1-CD1 4.12Å; L75-L162 HydrophobicContact CD1-CD2 4.11Å; L75-D273 PolarHBondContact N-OD2 3.24Å | ||
| 76 | P | 98.8 | Very high | 98 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | trans | -69.8 | 177 | 168.8 | 33.6 | -36.1 | 0 | 0 | 0 | 110.7 | F81 F119 | P76-F81 HydrophobicContact CG-CB 3.95Å; P76-F81 HydrophobicContact CG-CD2 4.33Å; P76-F119 HydrophobicContact CG-CE2 4.28Å; P76-F119 HydrophobicContact CG-CZ 4.3Å; P76-F119 WeakPolarHBondContact O-CZ 3.19Å | ||
| 77 | S | 98.8 | Very high | 98 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | trans | -67.1 | 162.6 | 168.2 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | A79 G80 F81 | S77-A79 VanDerWaalsContact C-N 3.27Å; S77-A79 PolarHBondContact O-N 2.7Å; S77-G80 PolarHBondContact O-N 3.49Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-G80 PolarHBondContact OG-N 3.35Å; S77-F81 PolarHBondContact O-N 3.05Å | ||
| 78 | E | 98.9 | Very high | 98 | Very high | 89 Ų | 89 | 45 Ų | 45 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -53.8 | -45.3 | 173.6 | -67.1 | 179.2 | 146.6 | 0 | 0 | 111.6 | A82 F119 A155 T156 L157 | E78-A82 VanDerWaalsContact O-CB 3.25Å; E78-A82 WeakPolarHBondContact O-CB 3.28Å; E78-A82 PolarHBondContact O-N 3.12Å; E78-F119 HydrophobicContact CG-CD1 4.32Å; E78-F119 HydrophobicContact CG-CE1 4.16Å; E78-A155 HydrophobicContact CB-CB 4.02Å; E78-A155 VanDerWaalsContact O-CB 3.23Å; E78-A155 WeakPolarHBondContact O-CB 3.4Å; E78-T156 WeakPolarHBondContact OE1-CA 3.27Å; E78-L157 HydrophobicContact CG-CB 4.1Å; E78-L157 WeakPolarHBondContact OE1-CB 3.42Å; E78-L157 PolarHBondContact OE1-N 2.95Å |
| 79 | A | 98.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S77 F81 A82 D83 | S77-A79 VanDerWaalsContact C-N 3.27Å; S77-A79 PolarHBondContact O-N 2.7Å; A79-F81 PolarHBondContact O-N 3.39Å; A79-A82 PolarHBondContact O-N 2.74Å; A79-D83 WeakPolarHBondContact O-CB 3.47Å; A79-D83 VanDerWaalsContact O-CG 3.32Å; A79-D83 PolarHBondContact O-N 3.08Å |
| 80 | G | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S77 Y84 | S77-G80 PolarHBondContact O-N 3.49Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-G80 PolarHBondContact OG-N 3.35Å; G80-Y84 VanDerWaalsContact O-CB 3.26Å; G80-Y84 WeakPolarHBondContact O-CB 3.37Å; G80-Y84 PolarHBondContact O-N 3.33Å; G80-Y84 VanDerWaalsContact O-N 3.09Å |
| 81 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 174.2 | -172.7 | -103.7 | 0 | 0 | 0 | 111.8 | F59 P76 S77 A79 D83 Y84 V85 M115 F116 F119 F153 A155 | F59-F81 HydrophobicContact CE2-CE2 4.46Å; F59-F81 HydrophobicContact CZ-CE2 4.46Å; P76-F81 HydrophobicContact CG-CB 3.95Å; P76-F81 HydrophobicContact CG-CD2 4.33Å; S77-F81 PolarHBondContact O-N 3.05Å; A79-F81 PolarHBondContact O-N 3.39Å; F81-D83 PolarHBondContact O-N 3.26Å; F81-Y84 PolarHBondContact O-N 2.72Å; F81-V85 HydrophobicContact CD1-CG1 4.32Å; F81-V85 HydrophobicContact CD1-CG2 4.35Å; F81-V85 HydrophobicContact CD2-CG1 4.19Å; F81-V85 HydrophobicContact CE1-CG1 3.92Å; F81-V85 HydrophobicContact CE1-CG2 4.17Å; F81-V85 HydrophobicContact CE2-CG1 3.76Å; F81-V85 HydrophobicContact CG-CG1 4.46Å; F81-V85 HydrophobicContact CZ-CG1 3.62Å; F81-V85 WeakPolarHBondContact O-CG2 3.27Å; F81-V85 PolarHBondContact O-N 3.43Å; F81-M115 HydrophobicContact CD2-CE 4.25Å; F81-M115 HydrophobicContact CE2-CB 4.03Å; F81-M115 HydrophobicContact CE2-CE 4.16Å; F81-M115 HydrophobicContact CZ-CB 4.48Å; F81-F116 HydrophobicContact CE1-CD1 4.02Å; F81-F116 HydrophobicContact CE1-CE1 4.12Å; F81-F116 AromaticContact CZ-CD1 3.74Å; F81-F116 HydrophobicContact CZ-CD1 3.74Å; F81-F116 HydrophobicContact CZ-CD2 4.27Å; F81-F116 AromaticContact CZ-CE1 3.79Å; F81-F116 HydrophobicContact CZ-CE1 3.79Å; F81-F116 HydrophobicContact CZ-CE2 4.3Å; F81-F116 AromaticContact CZ-CG 3.98Å; F81-F116 HydrophobicContact CZ-CG 3.98Å; F81-F116 HydrophobicContact CZ-CZ 4.07Å; F81-F119 HydrophobicContact CB-CD2 3.77Å; F81-F119 HydrophobicContact CB-CE1 4.38Å; F81-F119 HydrophobicContact CB-CE2 3.55Å; F81-F119 HydrophobicContact CB-CG 4.29Å; F81-F119 HydrophobicContact CB-CZ 3.89Å; F81-F119 HydrophobicContact CD1-CB 3.76Å; F81-F119 AromaticContact CD1-CD2 3.29Å; F81-F119 HydrophobicContact CD1-CD2 3.29Å; F81-F119 AromaticContact CD1-CE2 3.98Å; F81-F119 HydrophobicContact CD1-CE2 3.98Å; F81-F119 AromaticContact CD1-CG 3.63Å; F81-F119 HydrophobicContact CD1-CG 3.63Å; F81-F119 AromaticContact CD2-CD2 3.55Å; F81-F119 HydrophobicContact CD2-CD2 3.55Å; F81-F119 AromaticContact CD2-CE2 3.55Å; F81-F119 HydrophobicContact CD2-CE2 3.55Å; F81-F119 HydrophobicContact CE1-CB 3.84Å; F81-F119 AromaticContact CE1-CD2 3.65Å; F81-F119 HydrophobicContact CE1-CD2 3.65Å; F81-F119 HydrophobicContact CE1-CG 4.08Å; F81-F119 AromaticContact CE2-CD2 3.89Å; F81-F119 HydrophobicContact CE2-CD2 3.89Å; F81-F119 HydrophobicContact CE2-CE2 4.22Å; F81-F119 AromaticContact CG-CD2 3.22Å; F81-F119 HydrophobicContact CG-CD2 3.22Å; F81-F119 AromaticContact CG-CE2 3.41Å; F81-F119 HydrophobicContact CG-CE2 3.41Å; F81-F119 VanDerWaalsContact CG-CE2 3.41Å; F81-F119 AromaticContact CG-CG 3.94Å; F81-F119 HydrophobicContact CG-CG 3.94Å; F81-F119 HydrophobicContact CG-CZ 4.24Å; F81-F119 AromaticContact CZ-CD2 3.93Å; F81-F119 HydrophobicContact CZ-CD2 3.93Å; F81-F153 HydrophobicContact CD1-CD1 4.39Å; F81-F153 AromaticContact CD1-CE1 3.84Å; F81-F153 HydrophobicContact CD1-CE1 3.84Å; F81-F153 HydrophobicContact CD1-CZ 4.49Å; F81-F153 AromaticContact CE1-CE1 3.72Å; F81-F153 HydrophobicContact CE1-CE1 3.72Å; F81-F153 AromaticContact CE1-CZ 3.92Å; F81-F153 HydrophobicContact CE1-CZ 3.92Å; F81-A155 HydrophobicContact CD1-CB 4.24Å |
| 82 | A | 98.9 | Very high | 98.4 | Very high | 12 Ų | 12 | 37 Ų | 37 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -46.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E78 A79 G86 F153 A155 | E78-A82 VanDerWaalsContact O-CB 3.25Å; E78-A82 WeakPolarHBondContact O-CB 3.28Å; E78-A82 PolarHBondContact O-N 3.12Å; A79-A82 PolarHBondContact O-N 2.74Å; A82-G86 PolarHBondContact O-N 3.23Å; A82-F153 HydrophobicContact CB-CD1 4.09Å; A82-A155 HydrophobicContact CB-CB 4.07Å |
| 83 | D | 98.8 | Very high | 98.6 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.4 | -71.8 | -13 | 0 | 0 | 0 | 111.2 | A79 F81 R87 | A79-D83 WeakPolarHBondContact O-CB 3.47Å; A79-D83 VanDerWaalsContact O-CG 3.32Å; A79-D83 PolarHBondContact O-N 3.08Å; F81-D83 PolarHBondContact O-N 3.26Å; D83-R87 WeakPolarHBondContact O-CG 3.41Å; D83-R87 PolarHBondContact O-N 2.89Å; D83-R87 VanDerWaalsContact O-N 3.17Å |
| 84 | Y | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -55.7 | -180 | -174.9 | -89.9 | 0 | 0 | 0 | 111.8 | F59 D60 E63 C64 G80 F81 G86 R87 L88 | F59-Y84 HydrophobicContact CD2-CD1 4.26Å; F59-Y84 AromaticContact CD2-CE1 3.6Å; F59-Y84 HydrophobicContact CD2-CE1 3.6Å; F59-Y84 AromaticContact CE2-CD1 3.9Å; F59-Y84 HydrophobicContact CE2-CD1 3.9Å; F59-Y84 AromaticContact CE2-CE1 3.65Å; F59-Y84 HydrophobicContact CE2-CE1 3.65Å; F59-Y84 HydrophobicContact CG-CE1 4.14Å; F59-Y84 HydrophobicContact CZ-CD1 4.45Å; F59-Y84 HydrophobicContact CZ-CE1 4.2Å; D60-Y84 PolarHBondContact N-OH 3.45Å; E63-Y84 HydrophobicContact CB-CD2 4.47Å; E63-Y84 HydrophobicContact CB-CE2 3.86Å; C64-Y84 HydrophobicContact CB-CD1 3.75Å; C64-Y84 HydrophobicContact CB-CD2 4.09Å; C64-Y84 HydrophobicContact CB-CE1 3.84Å; C64-Y84 HydrophobicContact CB-CE2 4.19Å; C64-Y84 HydrophobicContact CB-CG 3.9Å; C64-Y84 WeakPolarHBondContact SG-CD1 3.22Å; G80-Y84 VanDerWaalsContact O-CB 3.26Å; G80-Y84 WeakPolarHBondContact O-CB 3.37Å; G80-Y84 PolarHBondContact O-N 3.33Å; G80-Y84 VanDerWaalsContact O-N 3.09Å; F81-Y84 PolarHBondContact O-N 2.72Å; Y84-G86 VanDerWaalsContact C-N 3.31Å; Y84-G86 PolarHBondContact O-N 3.43Å; Y84-R87 PolarHBondContact O-N 2.97Å; Y84-L88 HydrophobicContact CD1-CD1 4.24Å; Y84-L88 HydrophobicContact CE1-CD1 3.68Å; Y84-L88 HydrophobicContact CE1-CG 4.48Å |
| 85 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.7 | -29.7 | -177.6 | -55.7 | 0 | 0 | 0 | 0 | 112 | F59 F81 R87 L88 I90 F116 F153 | F59-V85 HydrophobicContact CE2-CG1 4.23Å; F81-V85 HydrophobicContact CD1-CG1 4.32Å; F81-V85 HydrophobicContact CD1-CG2 4.35Å; F81-V85 HydrophobicContact CD2-CG1 4.19Å; F81-V85 HydrophobicContact CE1-CG1 3.92Å; F81-V85 HydrophobicContact CE1-CG2 4.17Å; F81-V85 HydrophobicContact CE2-CG1 3.76Å; F81-V85 HydrophobicContact CG-CG1 4.46Å; F81-V85 HydrophobicContact CZ-CG1 3.62Å; F81-V85 WeakPolarHBondContact O-CG2 3.27Å; F81-V85 PolarHBondContact O-N 3.43Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.21Å; V85-L88 CarbonylContact O-C 3.5Å; V85-L88 WeakPolarHBondContact O-CA 3.29Å; V85-L88 WeakPolarHBondContact O-CB 3.35Å; V85-L88 PolarHBondContact O-N 2.73Å; V85-I90 HydrophobicContact CB-CB 4.28Å; V85-I90 HydrophobicContact CB-CD1 4.29Å; V85-I90 WeakPolarHBondContact O-CB 3.45Å; V85-I90 PolarHBondContact O-N 2.97Å; V85-F116 HydrophobicContact CB-CE1 4.16Å; V85-F116 HydrophobicContact CB-CZ 4.18Å; V85-F116 HydrophobicContact CG1-CE1 3.89Å; V85-F116 HydrophobicContact CG1-CZ 3.66Å; V85-F116 HydrophobicContact CG2-CE1 4.37Å; V85-F153 HydrophobicContact CG2-CB 3.69Å; V85-F153 HydrophobicContact CG2-CD1 3.68Å; V85-F153 HydrophobicContact CG2-CD2 3.76Å; V85-F153 HydrophobicContact CG2-CE1 4.18Å; V85-F153 HydrophobicContact CG2-CE2 4.25Å; V85-F153 HydrophobicContact CG2-CG 3.43Å; V85-F153 VanDerWaalsContact CG2-CG 3.43Å; V85-F153 HydrophobicContact CG2-CZ 4.42Å |
| 86 | G | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 Y84 L88 G89 P150 A151 | A82-G86 PolarHBondContact O-N 3.23Å; Y84-G86 VanDerWaalsContact C-N 3.31Å; Y84-G86 PolarHBondContact O-N 3.43Å; G86-L88 PolarHBondContact O-N 2.94Å; G86-G89 WeakPolarHBondContact O-CA 3.25Å; G86-G89 PolarHBondContact O-N 3.21Å; G86-P150 WeakPolarHBondContact O-CA 3.38Å; G86-A151 CarbonylContact C-O 2.99Å; G86-A151 WeakPolarHBondContact CA-O 3.38Å; G86-A151 PolarHBondContact O-N 2.8Å |
| 87 | R | 98.7 | Very high | 98.8 | Very high | 145 Ų | 145 | 39.7 Ų | 39.7 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -24.6 | 173.5 | -71.3 | -171.2 | -59.4 | -96.1 | 8.2 | 113.5 | D83 Y84 V85 G89 | D83-R87 WeakPolarHBondContact O-CG 3.41Å; D83-R87 PolarHBondContact O-N 2.89Å; D83-R87 VanDerWaalsContact O-N 3.17Å; Y84-R87 PolarHBondContact O-N 2.97Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.21Å; R87-G89 PolarHBondContact O-N 3.07Å |
| 88 | L | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.5 | 173 | -53.5 | -177.8 | 0 | 0 | 0 | 112.5 | L32 F59 Y84 V85 G86 I90 P148 | L32-L88 HydrophobicContact CD2-CD1 3.81Å; F59-L88 HydrophobicContact CD2-CD1 4.22Å; Y84-L88 HydrophobicContact CD1-CD1 4.24Å; Y84-L88 HydrophobicContact CE1-CD1 3.68Å; Y84-L88 HydrophobicContact CE1-CG 4.48Å; V85-L88 CarbonylContact O-C 3.5Å; V85-L88 WeakPolarHBondContact O-CA 3.29Å; V85-L88 WeakPolarHBondContact O-CB 3.35Å; V85-L88 PolarHBondContact O-N 2.73Å; G86-L88 PolarHBondContact O-N 2.94Å; L88-I90 VanDerWaalsContact C-N 3.35Å; L88-I90 HydrophobicContact CB-CD1 4.21Å; L88-I90 HydrophobicContact CB-CG1 4.44Å; L88-P148 WeakPolarHBondContact O-CG 3.23Å |
| 89 | G | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 31.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R30 G86 R87 E149 | R30-G89 PolarHBondContact NE-O 3.47Å; G86-G89 WeakPolarHBondContact O-CA 3.25Å; G86-G89 PolarHBondContact O-N 3.21Å; R87-G89 PolarHBondContact O-N 3.07Å; G89-E149 WeakPolarHBondContact CA-O 3.37Å |
| 90 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -101 | 127.4 | 177.6 | -62.3 | 168.8 | 0 | 0 | 0 | 109.2 | R30 L32 V85 L88 T94 V96 F116 F153 | R30-I90 HydrophobicContact CB-CD1 4.39Å; R30-I90 HydrophobicContact CB-CG1 3.88Å; R30-I90 HydrophobicContact CG-CG1 3.84Å; L32-I90 HydrophobicContact CD1-CD1 3.85Å; L32-I90 HydrophobicContact CD2-CD1 4.16Å; L32-I90 HydrophobicContact CG-CD1 4.3Å; V85-I90 HydrophobicContact CB-CB 4.28Å; V85-I90 HydrophobicContact CB-CD1 4.29Å; V85-I90 WeakPolarHBondContact O-CB 3.45Å; V85-I90 PolarHBondContact O-N 2.97Å; L88-I90 VanDerWaalsContact C-N 3.35Å; L88-I90 HydrophobicContact CB-CD1 4.21Å; L88-I90 HydrophobicContact CB-CG1 4.44Å; I90-T94 HydrophobicContact CG1-CG2 4.48Å; I90-T94 HydrophobicContact CG2-CG2 4.29Å; I90-V96 HydrophobicContact CD1-CG1 4.47Å; I90-V96 HydrophobicContact CD1-CG2 4.05Å; I90-V96 HydrophobicContact CG1-CG2 4.32Å; I90-V96 HydrophobicContact CG2-CG2 3.72Å; I90-F116 HydrophobicContact CD1-CE1 4.31Å; I90-F116 HydrophobicContact CD1-CZ 3.79Å; I90-F116 HydrophobicContact CG2-CE1 4Å; I90-F153 HydrophobicContact CG2-CD2 4.05Å; I90-F153 HydrophobicContact CG2-CE2 4.26Å | ||
| 91 | S | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 28 Ų | 28 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | trans | -111.6 | 174.2 | 172 | 77.1 | 0 | 0 | 0 | 0 | 110.6 | H93 T94 | S91-H93 PolarHBondContact O-N 2.93Å; S91-H93 VanDerWaalsContact O-N 3.08Å; S91-H93 PolarHBondContact OG-N 3.12Å; S91-T94 PolarHBondContact N-OG1 2.79Å; S91-T94 WeakPolarHBondContact O-CB 3.33Å; S91-T94 PolarHBondContact O-N 3.12Å; S91-T94 VanDerWaalsContact O-N 3.16Å; S91-T94 PolarHBondContact O-OG1 3.4Å; S91-T94 PolarHBondContact OG-OG1 3.06Å; S91-T94 VanDerWaalsContact OG-OG1 3.09Å | ||
| 92 | N | 98.8 | Very high | 98.8 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 35% | 0.353 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.7 | 174.9 | -60.9 | -65.8 | 0 | 0 | 0 | 114.3 | K154 | N92-K154 WeakPolarHBondContact ND2-CB 3.27Å; N92-K154 PolarHBondContact ND2-N 3.28Å; N92-K154 PolarHBondContact OD1-N 3.09Å; N92-K154 PolarHBondContact OD1-O 3.17Å; N92-K154 VanDerWaalsContact OD1-O 3.11Å |
| 93 | H | 98.4 | Very high | 98.7 | Very high | 170 Ų | 170 | 34.6 Ų | 34.6 | 79% | 0.787 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -6.2 | 179.7 | -53.7 | 96.1 | 0 | 0 | 0 | 113.5 | S91 | S91-H93 PolarHBondContact O-N 2.93Å; S91-H93 VanDerWaalsContact O-N 3.08Å; S91-H93 PolarHBondContact OG-N 3.12Å |
| 94 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 134.3 | -175 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | P27 R30 I90 S91 V96 H121 T123 | P27-T94 WeakPolarHBondContact O-CB 3.42Å; P27-T94 WeakPolarHBondContact O-CG2 3.14Å; P27-T94 PolarHBondContact O-OG1 3.12Å; R30-T94 HydrophobicContact CB-CG2 3.79Å; R30-T94 HydrophobicContact CG-CG2 3.52Å; I90-T94 HydrophobicContact CG1-CG2 4.48Å; I90-T94 HydrophobicContact CG2-CG2 4.29Å; S91-T94 PolarHBondContact N-OG1 2.79Å; S91-T94 WeakPolarHBondContact O-CB 3.33Å; S91-T94 PolarHBondContact O-N 3.12Å; S91-T94 VanDerWaalsContact O-N 3.16Å; S91-T94 PolarHBondContact O-OG1 3.4Å; S91-T94 PolarHBondContact OG-OG1 3.06Å; S91-T94 VanDerWaalsContact OG-OG1 3.09Å; T94-V96 HydrophobicContact CG2-CG2 4.32Å; T94-V96 PolarHBondContact O-N 3.05Å; T94-H121 PolarHBondContact O-CE1 2.93Å; T94-H121 PolarHBondContact O-NE2 3.15Å; T94-T123 PolarHBondContact O-OG1 3.5Å |
| 95 | H | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 117.3 | 161.9 | -179.6 | -167.3 | 0 | 0 | 0 | 108.6 | Y7 R8 W15 G28 L29 R30 T123 S125 | Y7-H95 AromaticContact CE1-CD2 3.75Å; Y7-H95 AromaticContact CE1-NE2 3.65Å; Y7-H95 AromaticContact CZ-CD2 3.92Å; Y7-H95 AromaticContact CZ-NE2 3.99Å; Y7-H95 PolarHBondContact OH-CD2 3.43Å; Y7-H95 VanDerWaalsContact OH-CD2 3.27Å; Y7-H95 PolarHBondContact OH-CE1 3.44Å; Y7-H95 VanDerWaalsContact OH-CE1 3.28Å; Y7-H95 PolarHBondContact OH-ND1 2.96Å; Y7-H95 PolarHBondContact OH-NE2 3.25Å; R8-H95 PolarHBondContact NH2-CE1 3.05Å; R8-H95 PolarHBondContact NH2-ND1 3.48Å; W15-H95 AromaticContact CH2-CE1 3.87Å; W15-H95 AromaticContact CH2-ND1 3.83Å; G28-H95 PolarHBondContact O-N 3.29Å; L29-H95 WeakPolarHBondContact CA-O 3.38Å; L29-H95 HydrophobicContact CD1-CB 4.1Å; L29-H95 WeakPolarHBondContact CD1-O 3.37Å; R30-H95 PolarHBondContact N-O 3.46Å; H95-T123 CarbonylContact C-O 3.57Å; H95-T123 VanDerWaalsContact CA-O 3.31Å; H95-T123 WeakPolarHBondContact CA-O 3.38Å; H95-T123 PolarHBondContact CD2-O 3.33Å; H95-S125 PolarHBondContact NE2-OG 3.23Å |
| 96 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.3 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | R30 L32 I90 T94 V98 F116 T123 V124 S125 | R30-V96 CarbonylContact O-C 3.56Å; R30-V96 WeakPolarHBondContact O-CA 3.44Å; L32-V96 HydrophobicContact CD1-CG1 3.67Å; L32-V96 HydrophobicContact CG-CG1 4.12Å; I90-V96 HydrophobicContact CD1-CG1 4.47Å; I90-V96 HydrophobicContact CD1-CG2 4.05Å; I90-V96 HydrophobicContact CG1-CG2 4.32Å; I90-V96 HydrophobicContact CG2-CG2 3.72Å; T94-V96 HydrophobicContact CG2-CG2 4.32Å; T94-V96 PolarHBondContact O-N 3.05Å; V96-V98 HydrophobicContact CG1-CG2 3.88Å; V96-F116 HydrophobicContact CG1-CD2 4.23Å; V96-F116 HydrophobicContact CG1-CE2 3.78Å; V96-F116 HydrophobicContact CG1-CZ 4.02Å; V96-F116 HydrophobicContact CG2-CD1 4.34Å; V96-F116 HydrophobicContact CG2-CE1 3.96Å; V96-F116 HydrophobicContact CG2-CZ 4.06Å; V96-T123 PolarHBondContact N-O 2.94Å; V96-V124 HydrophobicContact CB-CB 4.29Å; V96-V124 HydrophobicContact CB-CG2 4.01Å; V96-V124 HydrophobicContact CG1-CG2 4.21Å; V96-V124 CarbonylContact O-C 3.48Å; V96-V124 VanDerWaalsContact O-CA 3.26Å; V96-V124 WeakPolarHBondContact O-CA 3.37Å; V96-S125 PolarHBondContact O-N 2.88Å |
| 97 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.1 | 169.5 | 176 | 0 | 0 | 0 | 0 | 108.6 | V11 W15 L16 L29 R30 V31 L32 S125 L127 | V11-V97 HydrophobicContact CG2-CB 4.45Å; V11-V97 HydrophobicContact CG2-CG1 3.59Å; V11-V97 HydrophobicContact CG2-CG2 3.96Å; W15-V97 HydrophobicContact CZ3-CG2 4.01Å; L16-V97 HydrophobicContact CD2-CG1 4.22Å; L29-V97 HydrophobicContact CD1-CG2 3.83Å; R30-V97 PolarHBondContact O-N 3.09Å; V31-V97 CarbonylContact C-O 3.59Å; V31-V97 VanDerWaalsContact CA-O 3.25Å; V31-V97 WeakPolarHBondContact CA-O 3.43Å; V31-V97 HydrophobicContact CG2-CB 4.5Å; L32-V97 PolarHBondContact N-O 2.9Å; V97-S125 CarbonylContact C-O 3.59Å; V97-S125 WeakPolarHBondContact CA-O 3.33Å; V97-L127 HydrophobicContact CG1-CB 4.27Å |
| 98 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.9 | -178.5 | -166.9 | 0 | 0 | 0 | 0 | 110 | L32 A34 V96 A109 V112 V124 S125 V126 L127 | L32-V98 HydrophobicContact CB-CG1 4.34Å; L32-V98 HydrophobicContact CB-CG2 4.44Å; L32-V98 HydrophobicContact CD1-CG2 4.48Å; L32-V98 WeakPolarHBondContact O-CA 3.48Å; A34-V98 HydrophobicContact CB-CG1 3.52Å; V96-V98 HydrophobicContact CG1-CG2 3.88Å; V98-A109 HydrophobicContact CB-CB 4.37Å; V98-A109 HydrophobicContact CG1-CB 3.95Å; V98-V112 HydrophobicContact CG1-CB 4Å; V98-V112 HydrophobicContact CG1-CG1 4.1Å; V98-V112 HydrophobicContact CG2-CB 4.47Å; V98-V112 HydrophobicContact CG2-CG1 3.98Å; V98-V124 HydrophobicContact CG2-CG2 4.19Å; V98-S125 PolarHBondContact N-O 3.31Å; V98-V126 CarbonylContact O-C 3.55Å; V98-V126 VanDerWaalsContact O-CA 3.32Å; V98-V126 WeakPolarHBondContact O-CA 3.41Å; V98-L127 PolarHBondContact O-N 3.14Å |
| 99 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 168.7 | 168.9 | 73.8 | -96.7 | 0 | 0 | 0 | 110.4 | V31 L32 D33 A34 V53 A56 L127 F131 | V31-Y99 HydrophobicContact CG1-CD1 3.85Å; V31-Y99 HydrophobicContact CG1-CE1 3.81Å; L32-Y99 WeakPolarHBondContact O-CD1 3.36Å; L32-Y99 PolarHBondContact O-N 3.21Å; D33-Y99 HydrophobicContact CB-CE1 4.16Å; D33-Y99 HydrophobicContact CB-CE2 3.84Å; D33-Y99 WeakPolarHBondContact CB-OH 3.36Å; D33-Y99 VanDerWaalsContact CG-CE2 3.4Å; D33-Y99 WeakPolarHBondContact OD2-CE2 3.3Å; D33-Y99 PolarHBondContact OD2-OH 3.39Å; A34-Y99 PolarHBondContact N-O 2.93Å; V53-Y99 HydrophobicContact CB-CE1 3.94Å; V53-Y99 HydrophobicContact CG2-CD1 4.15Å; V53-Y99 HydrophobicContact CG2-CE1 3.51Å; V53-Y99 PolarHBondContact N-OH 3.35Å; A56-Y99 HydrophobicContact CB-CE1 4.19Å; Y99-L127 HydrophobicContact CD1-CD2 4.45Å; Y99-L127 HydrophobicContact CG-CD2 4.29Å; Y99-F131 HydrophobicContact CD2-CB 3.66Å; Y99-F131 HydrophobicContact CD2-CD2 4.27Å; Y99-F131 HydrophobicContact CD2-CG 4.25Å; Y99-F131 HydrophobicContact CE2-CB 3.73Å; Y99-F131 AromaticContact CE2-CD2 3.7Å; Y99-F131 HydrophobicContact CE2-CD2 3.7Å; Y99-F131 HydrophobicContact CE2-CE2 4.49Å; Y99-F131 AromaticContact CE2-CG 3.81Å; Y99-F131 HydrophobicContact CE2-CG 3.81Å |
| 100 | D | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | trans | -136.7 | 167.8 | 162.7 | 61.5 | 66.2 | 0 | 0 | 0 | 110.3 | S35 D102 F107 Y108 A109 F131 | S35-D100 WeakPolarHBondContact OG-CA 3.37Å; D100-D102 VanDerWaalsContact OD1-CB 3.22Å; D100-D102 WeakPolarHBondContact OD1-CB 3.45Å; D100-D102 PolarHBondContact OD1-N 2.94Å; D100-D102 VanDerWaalsContact OD1-N 3.08Å; D100-F107 PolarHBondContact OD1-N 3.07Å; D100-F107 PolarHBondContact OD2-N 2.92Å; D100-Y108 PolarHBondContact OD2-N 3.5Å; D100-A109 WeakPolarHBondContact OD2-CB 3.43Å; D100-A109 PolarHBondContact OD2-N 3.13Å; D100-F131 WeakPolarHBondContact O-CB 3.33Å; D100-F131 PolarHBondContact O-N 3.28Å | ||
| 101 | G | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | trans | -95.4 | 22.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S35 Y37 R42 | S35-G101 PolarHBondContact OG-N 2.99Å; Y37-G101 VanDerWaalsContact OH-CA 3.27Å; Y37-G101 WeakPolarHBondContact OH-CA 3.37Å; Y37-G101 PolarHBondContact OH-O 2.92Å; Y37-G101 VanDerWaalsContact OH-O 3.09Å; R42-G101 PolarHBondContact NH1-O 2.94Å; R42-G101 PolarHBondContact NH2-O 2.81Å | ||
| 102 | D | 98.3 | Very high | 98.5 | Very high | 13 Ų | 13 | 24.4 Ų | 24.4 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | trans | -64.4 | 146.3 | 178.4 | -174.4 | -107.5 | 0 | 0 | 0 | 111.9 | D100 L104 G105 F107 | D100-D102 VanDerWaalsContact OD1-CB 3.22Å; D100-D102 WeakPolarHBondContact OD1-CB 3.45Å; D100-D102 PolarHBondContact OD1-N 2.94Å; D100-D102 VanDerWaalsContact OD1-N 3.08Å; D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.36Å; D102-L104 VanDerWaalsContact OD1-CB 3.28Å; D102-L104 WeakPolarHBondContact OD1-CB 3.31Å; D102-L104 PolarHBondContact OD1-N 2.62Å; D102-G105 WeakPolarHBondContact O-CA 3.31Å; D102-G105 PolarHBondContact O-N 3.19Å; D102-F107 HydrophobicContact CB-CB 3.81Å | ||
| 103 | H | 96.4 | Very high | 98.5 | Very high | 137 Ų | 137 | 21.4 Ų | 21.4 | 63% | 0.634 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.6 | -179.7 | 68.7 | -65.8 | 0 | 0 | 0 | 113.4 | G105 R132 | H103-G105 VanDerWaalsContact C-N 3.27Å; H103-R132 WeakPolarHBondContact O-CD 3.26Å; H103-R132 PolarHBondContact O-NE 2.95Å; H103-R132 PolarHBondContact O-NH1 3.39Å |
| 104 | L | 95.9 | Very high | 98.5 | Very high | 29 Ų | 29 | 13.3 Ų | 13.3 | 15% | 0.152 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.4 | 172.9 | -166.3 | 59.8 | 0 | 0 | 0 | 111.9 | D102 F213 M214 L217 G221 | D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.36Å; D102-L104 VanDerWaalsContact OD1-CB 3.28Å; D102-L104 WeakPolarHBondContact OD1-CB 3.31Å; D102-L104 PolarHBondContact OD1-N 2.62Å; L104-F213 HydrophobicContact CD2-CE2 4.24Å; L104-M214 HydrophobicContact CD2-CB 3.69Å; L104-M214 HydrophobicContact CD2-CG 3.52Å; L104-M214 HydrophobicContact CD2-SD 4.25Å; L104-L217 HydrophobicContact CB-CD1 4.43Å; L104-L217 HydrophobicContact CD2-CD1 3.71Å; L104-L217 HydrophobicContact CG-CB 4.37Å; L104-L217 HydrophobicContact CG-CD1 3.67Å; L104-G221 WeakPolarHBondContact O-CA 3.21Å |
| 105 | G | 97.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 96.7 | -12.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D102 H103 G130 | D102-G105 WeakPolarHBondContact O-CA 3.31Å; D102-G105 PolarHBondContact O-N 3.19Å; H103-G105 VanDerWaalsContact C-N 3.27Å; G105-G130 VanDerWaalsContact O-CA 3.27Å; G105-G130 WeakPolarHBondContact O-CA 3.43Å; G105-G130 PolarHBondContact O-N 3.04Å |
| 106 | S | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | trans | -162.9 | 125.5 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | P110 H256 | S106-P110 VanDerWaalsContact OG-CD 3.31Å; S106-P110 WeakPolarHBondContact OG-CD 3.2Å; S106-P110 VanDerWaalsContact OG-CG 3.31Å; S106-P110 WeakPolarHBondContact OG-CG 3.49Å; S106-H256 PolarHBondContact O-NE2 3.32Å; S106-H256 VanDerWaalsContact O-NE2 3.15Å; S106-H256 PolarHBondContact OG-NE2 3.01Å | ||
| 107 | F | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 13.9 Ų | 13.9 | 26% | 0.263 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -141.6 | -53.6 | 174.1 | -163.3 | -73.3 | 0 | 0 | 0 | 113.5 | D100 D102 F213 V252 T253 H256 | D100-F107 PolarHBondContact OD1-N 3.07Å; D100-F107 PolarHBondContact OD2-N 2.92Å; D102-F107 HydrophobicContact CB-CB 3.81Å; F107-F213 HydrophobicContact CD2-CE1 4.33Å; F107-F213 AromaticContact CD2-CE2 3.88Å; F107-F213 HydrophobicContact CD2-CE2 3.88Å; F107-F213 AromaticContact CD2-CZ 3.51Å; F107-F213 HydrophobicContact CD2-CZ 3.51Å; F107-F213 AromaticContact CE2-CE1 3.95Å; F107-F213 HydrophobicContact CE2-CE1 3.95Å; F107-F213 HydrophobicContact CE2-CE2 4.32Å; F107-F213 AromaticContact CE2-CZ 3.56Å; F107-F213 HydrophobicContact CE2-CZ 3.56Å; F107-V252 HydrophobicContact CD1-CG1 4.11Å; F107-V252 HydrophobicContact CE1-CG1 4.07Å; F107-T253 HydrophobicContact CD1-CG2 4.32Å; F107-T253 HydrophobicContact CE1-CG2 3.85Å; F107-T253 HydrophobicContact CE2-CG2 4.02Å; F107-T253 HydrophobicContact CZ-CG2 3.69Å; F107-H256 PolarHBondContact O-CE1 2.9Å; F107-H256 VanDerWaalsContact O-CE1 3.25Å |
| 108 | Y | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -100.1 | -21 | -177.9 | -91.1 | -95.7 | 0 | 0 | 0 | 112.9 | A34 W36 I61 D100 R111 V112 K250 V252 | A34-Y108 WeakPolarHBondContact O-CB 3.4Å; W36-Y108 HydrophobicContact CB-CD1 3.99Å; W36-Y108 HydrophobicContact CB-CD2 3.89Å; W36-Y108 HydrophobicContact CB-CE1 3.83Å; W36-Y108 HydrophobicContact CB-CE2 3.8Å; W36-Y108 HydrophobicContact CB-CG 4.04Å; W36-Y108 HydrophobicContact CD2-CE1 4.36Å; W36-Y108 HydrophobicContact CD2-CE2 4.08Å; W36-Y108 AromaticContact CD2-CZ 3.69Å; W36-Y108 HydrophobicContact CE3-CE1 4.44Å; W36-Y108 AromaticContact CE3-CE2 3.47Å; W36-Y108 HydrophobicContact CE3-CE2 3.47Å; W36-Y108 VanDerWaalsContact CE3-CE2 3.47Å; W36-Y108 AromaticContact CE3-CZ 3.38Å; W36-Y108 HydrophobicContact CG-CE1 4.15Å; W36-Y108 HydrophobicContact CG-CE2 4.26Å; W36-Y108 AromaticContact CG-CZ 3.89Å; W36-Y108 HydrophobicContact CZ3-CE2 4.36Å; W36-Y108 WeakPolarHBondContact CZ3-OH 3.46Å; W36-Y108 WeakPolarHBondContact O-CD2 3.24Å; W36-Y108 WeakPolarHBondContact O-CE2 3.29Å; I61-Y108 HydrophobicContact CG1-CD1 4.47Å; I61-Y108 HydrophobicContact CG1-CE1 4.35Å; I61-Y108 HydrophobicContact CG2-CD1 4.21Å; I61-Y108 HydrophobicContact CG2-CE1 3.94Å; D100-Y108 PolarHBondContact OD2-N 3.5Å; Y108-R111 VanDerWaalsContact O-CB 3.3Å; Y108-R111 WeakPolarHBondContact O-CB 3.45Å; Y108-R111 PolarHBondContact O-N 2.83Å; Y108-V112 PolarHBondContact O-N 2.76Å; Y108-K250 WeakPolarHBondContact OH-CE 3.23Å; Y108-K250 PolarHBondContact OH-NZ 2.74Å; Y108-V252 HydrophobicContact CD1-CG1 3.88Å; Y108-V252 HydrophobicContact CD1-CG2 4.36Å; Y108-V252 HydrophobicContact CD2-CG1 4.23Å; Y108-V252 HydrophobicContact CE1-CB 4.47Å; Y108-V252 HydrophobicContact CE1-CG1 3.86Å; Y108-V252 HydrophobicContact CE1-CG2 3.74Å; Y108-V252 HydrophobicContact CE2-CG1 4.15Å; Y108-V252 HydrophobicContact CG-CG1 4.05Å |
| 109 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V98 D100 R111 V112 W113 V126 | V98-A109 HydrophobicContact CB-CB 4.37Å; V98-A109 HydrophobicContact CG1-CB 3.95Å; D100-A109 WeakPolarHBondContact OD2-CB 3.43Å; D100-A109 PolarHBondContact OD2-N 3.13Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.3Å; A109-V112 PolarHBondContact O-N 2.92Å; A109-W113 WeakPolarHBondContact O-CB 3.2Å; A109-W113 PolarHBondContact O-N 2.85Å; A109-V126 HydrophobicContact CB-CG1 3.89Å; A109-V126 HydrophobicContact CB-CG2 4.5Å |
| 110 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -30.7 | 174.4 | -27.2 | 40 | 0 | 0 | 0 | 113.4 | S106 W113 W114 C255 L259 | S106-P110 VanDerWaalsContact OG-CD 3.31Å; S106-P110 WeakPolarHBondContact OG-CD 3.2Å; S106-P110 VanDerWaalsContact OG-CG 3.31Å; S106-P110 WeakPolarHBondContact OG-CG 3.49Å; P110-W113 PolarHBondContact O-N 3.25Å; P110-W114 WeakPolarHBondContact O-CB 3.46Å; P110-W114 PolarHBondContact O-N 3.37Å; P110-C255 VanDerWaalsContact C-CB 3.46Å; P110-C255 HydrophobicContact CB-CB 3.97Å; P110-C255 VanDerWaalsContact O-CB 3.27Å; P110-C255 WeakPolarHBondContact O-CB 3.43Å; P110-L259 HydrophobicContact CB-CD2 4.28Å; P110-L259 HydrophobicContact CG-CD2 4Å |
| 111 | R | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.3 | -51.2 | 174.4 | 169.1 | 59 | 177.4 | -160.3 | 3.2 | 110.7 | I61 M73 Y108 A109 W114 M115 G251 V252 D273 | I61-R111 HydrophobicContact CD1-CG 4.33Å; M73-R111 PolarHBondContact O-NH2 2.89Å; Y108-R111 VanDerWaalsContact O-CB 3.3Å; Y108-R111 WeakPolarHBondContact O-CB 3.45Å; Y108-R111 PolarHBondContact O-N 2.83Å; A109-R111 VanDerWaalsContact C-N 3.28Å; A109-R111 PolarHBondContact O-N 3.3Å; R111-W114 VanDerWaalsContact NH1-CZ3 3.27Å; R111-W114 PolarHBondContact O-N 2.92Å; R111-M115 HydrophobicContact CG-SD 4.06Å; R111-M115 VanDerWaalsContact O-CG 3.29Å; R111-M115 WeakPolarHBondContact O-CG 3.43Å; R111-M115 PolarHBondContact O-N 3.46Å; R111-G251 PolarHBondContact NH1-O 3.35Å; R111-V252 HydrophobicContact CB-CB 4.45Å; R111-V252 HydrophobicContact CB-CG1 4.04Å; R111-V252 HydrophobicContact CG-CG2 4.27Å; R111-D273 IonicContact CZ-OD1 3.93Å; R111-D273 IonicContact NH1-OD1 2.7Å; R111-D273 PolarHBondContact NH1-OD1 2.81Å; R111-D273 IonicContact NH2-OD1 3.93Å; R111-D273 PolarHBondContact NH2-OD1 2.76Å; R111-D273 IonicContact NH2-OD2 3.34Å |
| 112 | V | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.1 | -36.9 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L32 A34 F59 V98 Y108 A109 W114 M115 F116 | L32-V112 HydrophobicContact CD1-CG1 4.5Å; A34-V112 HydrophobicContact CB-CB 4.19Å; A34-V112 HydrophobicContact CB-CG2 3.6Å; F59-V112 HydrophobicContact CD1-CG1 4.17Å; F59-V112 HydrophobicContact CD1-CG2 3.52Å; F59-V112 HydrophobicContact CD2-CG1 3.98Å; F59-V112 HydrophobicContact CE1-CB 4.46Å; F59-V112 HydrophobicContact CE1-CG1 4.15Å; F59-V112 HydrophobicContact CE1-CG2 3.5Å; F59-V112 VanDerWaalsContact CE1-CG2 3.5Å; F59-V112 HydrophobicContact CE2-CG1 3.93Å; F59-V112 HydrophobicContact CG-CG1 4.1Å; F59-V112 HydrophobicContact CG-CG2 4.21Å; F59-V112 HydrophobicContact CZ-CG1 4.02Å; F59-V112 HydrophobicContact CZ-CG2 4.14Å; V98-V112 HydrophobicContact CG1-CB 4Å; V98-V112 HydrophobicContact CG1-CG1 4.1Å; V98-V112 HydrophobicContact CG2-CB 4.47Å; V98-V112 HydrophobicContact CG2-CG1 3.98Å; Y108-V112 PolarHBondContact O-N 2.76Å; A109-V112 PolarHBondContact O-N 2.92Å; V112-W114 VanDerWaalsContact C-N 3.31Å; V112-W114 PolarHBondContact O-N 3.06Å; V112-M115 HydrophobicContact CG2-SD 4.36Å; V112-M115 WeakPolarHBondContact O-CB 3.32Å; V112-M115 PolarHBondContact O-N 3.15Å; V112-M115 VanDerWaalsContact O-N 3.14Å; V112-F116 HydrophobicContact CG1-CD2 3.99Å; V112-F116 HydrophobicContact CG1-CE2 3.76Å; V112-F116 VanDerWaalsContact O-CD2 3.31Å; V112-F116 WeakPolarHBondContact O-CD2 3.31Å; V112-F116 PolarHBondContact O-N 3.43Å |
| 113 | W | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.9 | -47.5 | 169.4 | 164.3 | 87.8 | 0 | 0 | 0 | 111.8 | A9 A109 P110 F116 R117 V124 V126 A258 L259 Y262 | A9-W113 HydrophobicContact CB-CZ2 4.26Å; A109-W113 WeakPolarHBondContact O-CB 3.2Å; A109-W113 PolarHBondContact O-N 2.85Å; P110-W113 PolarHBondContact O-N 3.25Å; W113-F116 PolarHBondContact O-N 2.97Å; W113-R117 WeakPolarHBondContact O-CG 3.28Å; W113-R117 PolarHBondContact O-N 2.97Å; W113-V124 HydrophobicContact CB-CG2 4.37Å; W113-V124 HydrophobicContact CG-CG1 4.47Å; W113-V126 HydrophobicContact CB-CG2 3.66Å; W113-V126 HydrophobicContact CG-CG2 3.99Å; W113-A258 HydrophobicContact CZ3-CB 4.13Å; W113-L259 HydrophobicContact CD2-CD1 4.37Å; W113-L259 HydrophobicContact CE3-CB 4.44Å; W113-L259 HydrophobicContact CH2-CB 4.34Å; W113-L259 HydrophobicContact CH2-CD1 4.31Å; W113-L259 HydrophobicContact CZ2-CD1 4.07Å; W113-L259 HydrophobicContact CZ3-CB 4.09Å; W113-Y262 HydrophobicContact CH2-CD2 4.15Å; W113-Y262 HydrophobicContact CH2-CG 4.16Å; W113-Y262 HydrophobicContact CZ2-CD1 4.34Å; W113-Y262 AromaticContact CZ2-CD2 3.81Å; W113-Y262 HydrophobicContact CZ2-CD2 3.81Å; W113-Y262 HydrophobicContact CZ2-CE2 4.32Å; W113-Y262 AromaticContact CZ2-CG 3.83Å; W113-Y262 HydrophobicContact CZ2-CG 3.83Å |
| 114 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 176.7 | 171.9 | 88.3 | 0 | 0 | 0 | 112.1 | L75 P110 R111 V112 F116 R117 V118 L161 L162 C255 V271 | L75-W114 HydrophobicContact CD1-CH2 3.54Å; L75-W114 HydrophobicContact CD1-CZ2 4.46Å; L75-W114 HydrophobicContact CD1-CZ3 3.97Å; L75-W114 HydrophobicContact CD2-CE3 4.49Å; L75-W114 HydrophobicContact CD2-CH2 4.07Å; L75-W114 HydrophobicContact CD2-CZ3 3.58Å; L75-W114 HydrophobicContact CG-CH2 3.85Å; L75-W114 HydrophobicContact CG-CZ3 3.82Å; P110-W114 WeakPolarHBondContact O-CB 3.46Å; P110-W114 PolarHBondContact O-N 3.37Å; R111-W114 VanDerWaalsContact NH1-CZ3 3.27Å; R111-W114 PolarHBondContact O-N 2.92Å; V112-W114 VanDerWaalsContact C-N 3.31Å; V112-W114 PolarHBondContact O-N 3.06Å; W114-F116 PolarHBondContact O-N 3.25Å; W114-R117 CarbonylContact O-C 3.58Å; W114-R117 WeakPolarHBondContact O-CB 3.28Å; W114-R117 PolarHBondContact O-N 3.26Å; W114-V118 HydrophobicContact CD2-CB 4.38Å; W114-V118 HydrophobicContact CD2-CG1 4.35Å; W114-V118 HydrophobicContact CE3-CG1 4.22Å; W114-V118 HydrophobicContact CH2-CB 4.37Å; W114-V118 HydrophobicContact CH2-CG1 4.06Å; W114-V118 HydrophobicContact CH2-CG2 4.3Å; W114-V118 HydrophobicContact CZ2-CB 3.94Å; W114-V118 HydrophobicContact CZ2-CG1 4.12Å; W114-V118 HydrophobicContact CZ2-CG2 3.82Å; W114-V118 HydrophobicContact CZ3-CG1 4.08Å; W114-V118 PolarHBondContact O-N 3.23Å; W114-L161 WeakPolarHBondContact CZ2-O 3.48Å; W114-L161 PolarHBondContact NE1-O 2.78Å; W114-L161 VanDerWaalsContact NE1-O 3.12Å; W114-L162 HydrophobicContact CH2-CD1 4.05Å; W114-L162 HydrophobicContact CZ2-CD1 4.2Å; W114-C255 HydrophobicContact CB-CB 4.04Å; W114-V271 HydrophobicContact CD2-CB 4.42Å; W114-V271 HydrophobicContact CD2-CG2 4.11Å; W114-V271 HydrophobicContact CG-CG2 4.19Å; W114-V271 HydrophobicContact CH2-CB 4.27Å; W114-V271 HydrophobicContact CZ2-CB 3.67Å; W114-V271 HydrophobicContact CZ2-CG1 4.43Å; W114-V271 HydrophobicContact CZ2-CG2 4.19Å |
| 115 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 176 | -71.1 | 170.1 | 71.5 | 0 | 0 | 112 | F59 I61 C64 L75 F81 R111 V112 R117 V118 F119 | F59-M115 HydrophobicContact CE1-CE 4.28Å; F59-M115 HydrophobicContact CE1-SD 4.38Å; F59-M115 HydrophobicContact CZ-CE 3.84Å; F59-M115 HydrophobicContact CZ-SD 4.29Å; I61-M115 HydrophobicContact CD1-CE 3.95Å; I61-M115 HydrophobicContact CD1-SD 3.48Å; I61-M115 WeakPolarHBondContact CD1-SD 3.44Å; C64-M115 WeakPolarHBondContact O-CE 3.15Å; L75-M115 HydrophobicContact CD2-CB 4.48Å; L75-M115 HydrophobicContact CD2-CE 4.46Å; L75-M115 HydrophobicContact CD2-CG 3.82Å; F81-M115 HydrophobicContact CD2-CE 4.25Å; F81-M115 HydrophobicContact CE2-CB 4.03Å; F81-M115 HydrophobicContact CE2-CE 4.16Å; F81-M115 HydrophobicContact CZ-CB 4.48Å; R111-M115 HydrophobicContact CG-SD 4.06Å; R111-M115 VanDerWaalsContact O-CG 3.29Å; R111-M115 WeakPolarHBondContact O-CG 3.43Å; R111-M115 PolarHBondContact O-N 3.46Å; V112-M115 HydrophobicContact CG2-SD 4.36Å; V112-M115 WeakPolarHBondContact O-CB 3.32Å; V112-M115 PolarHBondContact O-N 3.15Å; V112-M115 VanDerWaalsContact O-N 3.14Å; M115-R117 VanDerWaalsContact C-N 3.31Å; M115-R117 PolarHBondContact O-N 2.8Å; M115-V118 WeakPolarHBondContact O-CG1 3.44Å; M115-F119 WeakPolarHBondContact O-CD2 3.33Å; M115-F119 PolarHBondContact O-N 3.09Å; M115-F119 VanDerWaalsContact O-N 3.12Å |
| 116 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.3 | -83.6 | -76.8 | 0 | 0 | 0 | 111.7 | L32 F81 V85 I90 V96 V112 W113 W114 F119 G120 H121 V124 F153 | L32-F116 HydrophobicContact CD1-CE2 3.76Å; L32-F116 HydrophobicContact CD1-CZ 3.97Å; F81-F116 HydrophobicContact CE1-CD1 4.02Å; F81-F116 HydrophobicContact CE1-CE1 4.12Å; F81-F116 AromaticContact CZ-CD1 3.74Å; F81-F116 HydrophobicContact CZ-CD1 3.74Å; F81-F116 HydrophobicContact CZ-CD2 4.27Å; F81-F116 AromaticContact CZ-CE1 3.79Å; F81-F116 HydrophobicContact CZ-CE1 3.79Å; F81-F116 HydrophobicContact CZ-CE2 4.3Å; F81-F116 AromaticContact CZ-CG 3.98Å; F81-F116 HydrophobicContact CZ-CG 3.98Å; F81-F116 HydrophobicContact CZ-CZ 4.07Å; V85-F116 HydrophobicContact CB-CE1 4.16Å; V85-F116 HydrophobicContact CB-CZ 4.18Å; V85-F116 HydrophobicContact CG1-CE1 3.89Å; V85-F116 HydrophobicContact CG1-CZ 3.66Å; V85-F116 HydrophobicContact CG2-CE1 4.37Å; I90-F116 HydrophobicContact CD1-CE1 4.31Å; I90-F116 HydrophobicContact CD1-CZ 3.79Å; I90-F116 HydrophobicContact CG2-CE1 4Å; V96-F116 HydrophobicContact CG1-CD2 4.23Å; V96-F116 HydrophobicContact CG1-CE2 3.78Å; V96-F116 HydrophobicContact CG1-CZ 4.02Å; V96-F116 HydrophobicContact CG2-CD1 4.34Å; V96-F116 HydrophobicContact CG2-CE1 3.96Å; V96-F116 HydrophobicContact CG2-CZ 4.06Å; V112-F116 HydrophobicContact CG1-CD2 3.99Å; V112-F116 HydrophobicContact CG1-CE2 3.76Å; V112-F116 VanDerWaalsContact O-CD2 3.31Å; V112-F116 WeakPolarHBondContact O-CD2 3.31Å; V112-F116 PolarHBondContact O-N 3.43Å; W113-F116 PolarHBondContact O-N 2.97Å; W114-F116 PolarHBondContact O-N 3.25Å; F116-F119 CarbonylContact O-C 3.53Å; F116-F119 PolarHBondContact O-N 2.84Å; F116-G120 PolarHBondContact O-N 3.19Å; F116-H121 CarbonylContact C-O 3.52Å; F116-H121 HydrophobicContact CB-CB 4.28Å; F116-H121 HydrophobicContact CD1-CB 4.16Å; F116-H121 AromaticContact CD1-CD2 3.69Å; F116-H121 WeakPolarHBondContact O-CA 3.31Å; F116-H121 WeakPolarHBondContact O-CB 3.18Å; F116-H121 PolarHBondContact O-N 3.43Å; F116-V124 HydrophobicContact CB-CB 4.01Å; F116-V124 HydrophobicContact CB-CG1 3.83Å; F116-V124 HydrophobicContact CB-CG2 4.06Å; F116-V124 HydrophobicContact CD2-CG2 4.02Å; F116-V124 HydrophobicContact CG-CB 4.44Å; F116-V124 HydrophobicContact CG-CG2 4.21Å; F116-F153 HydrophobicContact CD1-CE2 4.36Å; F116-F153 HydrophobicContact CD1-CZ 4.28Å; F116-F153 HydrophobicContact CE1-CE2 4.32Å |
| 117 | R | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 16.1 Ų | 16.1 | 9% | 0.094 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | -179.2 | -67.9 | 179.9 | 63.1 | -117 | -10.9 | 113.2 | W113 W114 M115 F119 G120 H121 V124 L161 P267 | W113-R117 WeakPolarHBondContact O-CG 3.28Å; W113-R117 PolarHBondContact O-N 2.97Å; W114-R117 CarbonylContact O-C 3.58Å; W114-R117 WeakPolarHBondContact O-CB 3.28Å; W114-R117 PolarHBondContact O-N 3.26Å; M115-R117 VanDerWaalsContact C-N 3.31Å; M115-R117 PolarHBondContact O-N 2.8Å; R117-F119 PolarHBondContact O-N 3.4Å; R117-G120 PolarHBondContact O-N 3.46Å; R117-H121 WeakPolarHBondContact CA-O 3.45Å; R117-H121 PolarHBondContact N-O 3.04Å; R117-V124 HydrophobicContact CG-CG1 3.81Å; R117-L161 HydrophobicContact CB-CD1 4.07Å; R117-P267 PolarHBondContact NH2-O 2.76Å |
| 118 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.1 | -23.4 | 178.4 | 75.7 | 0 | 0 | 0 | 0 | 111 | L75 W114 M115 G120 L157 D158 L161 L162 | L75-V118 HydrophobicContact CD1-CG1 3.85Å; L75-V118 HydrophobicContact CD1-CG2 4.25Å; L75-V118 HydrophobicContact CD2-CG1 3.96Å; W114-V118 HydrophobicContact CD2-CB 4.38Å; W114-V118 HydrophobicContact CD2-CG1 4.35Å; W114-V118 HydrophobicContact CE3-CG1 4.22Å; W114-V118 HydrophobicContact CH2-CB 4.37Å; W114-V118 HydrophobicContact CH2-CG1 4.06Å; W114-V118 HydrophobicContact CH2-CG2 4.3Å; W114-V118 HydrophobicContact CZ2-CB 3.94Å; W114-V118 HydrophobicContact CZ2-CG1 4.12Å; W114-V118 HydrophobicContact CZ2-CG2 3.82Å; W114-V118 HydrophobicContact CZ3-CG1 4.08Å; W114-V118 PolarHBondContact O-N 3.23Å; M115-V118 WeakPolarHBondContact O-CG1 3.44Å; V118-G120 VanDerWaalsContact C-N 3.32Å; V118-L157 HydrophobicContact CG2-CD1 3.86Å; V118-L157 CarbonylContact O-C 3.51Å; V118-L157 WeakPolarHBondContact O-CA 3.31Å; V118-D158 PolarHBondContact O-N 3.32Å; V118-L161 HydrophobicContact CB-CB 4.37Å; V118-L161 HydrophobicContact CG2-CB 4.1Å; V118-L162 HydrophobicContact CG2-CB 4.06Å |
| 119 | F | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.013 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 18 | 168.9 | -70.1 | -59.8 | 0 | 0 | 0 | 114.6 | L75 P76 E78 F81 M115 F116 R117 A155 T156 L157 | L75-F119 HydrophobicContact CB-CZ 4.46Å; L75-F119 HydrophobicContact CD2-CE2 3.82Å; L75-F119 HydrophobicContact CD2-CZ 4.17Å; P76-F119 HydrophobicContact CG-CE2 4.28Å; P76-F119 HydrophobicContact CG-CZ 4.3Å; P76-F119 WeakPolarHBondContact O-CZ 3.19Å; E78-F119 HydrophobicContact CG-CD1 4.32Å; E78-F119 HydrophobicContact CG-CE1 4.16Å; F81-F119 HydrophobicContact CB-CD2 3.77Å; F81-F119 HydrophobicContact CB-CE1 4.38Å; F81-F119 HydrophobicContact CB-CE2 3.55Å; F81-F119 HydrophobicContact CB-CG 4.29Å; F81-F119 HydrophobicContact CB-CZ 3.89Å; F81-F119 HydrophobicContact CD1-CB 3.76Å; F81-F119 AromaticContact CD1-CD2 3.29Å; F81-F119 HydrophobicContact CD1-CD2 3.29Å; F81-F119 AromaticContact CD1-CE2 3.98Å; F81-F119 HydrophobicContact CD1-CE2 3.98Å; F81-F119 AromaticContact CD1-CG 3.63Å; F81-F119 HydrophobicContact CD1-CG 3.63Å; F81-F119 AromaticContact CD2-CD2 3.55Å; F81-F119 HydrophobicContact CD2-CD2 3.55Å; F81-F119 AromaticContact CD2-CE2 3.55Å; F81-F119 HydrophobicContact CD2-CE2 3.55Å; F81-F119 HydrophobicContact CE1-CB 3.84Å; F81-F119 AromaticContact CE1-CD2 3.65Å; F81-F119 HydrophobicContact CE1-CD2 3.65Å; F81-F119 HydrophobicContact CE1-CG 4.08Å; F81-F119 AromaticContact CE2-CD2 3.89Å; F81-F119 HydrophobicContact CE2-CD2 3.89Å; F81-F119 HydrophobicContact CE2-CE2 4.22Å; F81-F119 AromaticContact CG-CD2 3.22Å; F81-F119 HydrophobicContact CG-CD2 3.22Å; F81-F119 AromaticContact CG-CE2 3.41Å; F81-F119 HydrophobicContact CG-CE2 3.41Å; F81-F119 VanDerWaalsContact CG-CE2 3.41Å; F81-F119 AromaticContact CG-CG 3.94Å; F81-F119 HydrophobicContact CG-CG 3.94Å; F81-F119 HydrophobicContact CG-CZ 4.24Å; F81-F119 AromaticContact CZ-CD2 3.93Å; F81-F119 HydrophobicContact CZ-CD2 3.93Å; M115-F119 WeakPolarHBondContact O-CD2 3.33Å; M115-F119 PolarHBondContact O-N 3.09Å; M115-F119 VanDerWaalsContact O-N 3.12Å; F116-F119 CarbonylContact O-C 3.53Å; F116-F119 PolarHBondContact O-N 2.84Å; R117-F119 PolarHBondContact O-N 3.4Å; F119-A155 HydrophobicContact CB-CB 4.03Å; F119-A155 HydrophobicContact CD1-CB 3.94Å; F119-A155 HydrophobicContact CG-CB 4.16Å; F119-T156 CarbonylContact C-O 3.3Å; F119-T156 WeakPolarHBondContact CA-O 3.27Å; F119-T156 PolarHBondContact O-N 3.37Å; F119-L157 HydrophobicContact CD1-CD1 4.12Å; F119-L157 HydrophobicContact CE1-CD1 3.85Å |
| 120 | G | 98.3 | Very high | 98.8 | Very high | 44 Ų | 44 | 15 Ų | 15 | 45% | 0.454 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 3.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115.2 | F116 R117 V118 T156 | F116-G120 PolarHBondContact O-N 3.19Å; R117-G120 PolarHBondContact O-N 3.46Å; V118-G120 VanDerWaalsContact C-N 3.32Å; G120-T156 PolarHBondContact N-O 3.33Å |
| 121 | H | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 16 Ų | 16 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | trans | -97.5 | 110.8 | -178.3 | -174.1 | 84 | 0 | 0 | 0 | 112.1 | T94 F116 R117 T123 F153 | T94-H121 PolarHBondContact O-CE1 2.93Å; T94-H121 PolarHBondContact O-NE2 3.15Å; F116-H121 CarbonylContact C-O 3.52Å; F116-H121 HydrophobicContact CB-CB 4.28Å; F116-H121 HydrophobicContact CD1-CB 4.16Å; F116-H121 AromaticContact CD1-CD2 3.69Å; F116-H121 WeakPolarHBondContact O-CA 3.31Å; F116-H121 WeakPolarHBondContact O-CB 3.18Å; F116-H121 PolarHBondContact O-N 3.43Å; R117-H121 WeakPolarHBondContact CA-O 3.45Å; R117-H121 PolarHBondContact N-O 3.04Å; H121-T123 PolarHBondContact CE1-OG1 2.82Å; H121-T123 PolarHBondContact NE2-O 3.32Å; H121-T123 PolarHBondContact NE2-OG1 3.18Å; H121-F153 HydrophobicContact CB-CE2 4.01Å; H121-F153 HydrophobicContact CB-CZ 3.67Å; H121-F153 AromaticContact CG-CE2 3.88Å; H121-F153 AromaticContact ND1-CE2 3.7Å | ||
| 122 | R | 97.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 19.7 Ų | 19.7 | 54% | 0.543 | 10% | 0.098 | S | C | . | . | trans | -91.2 | -24.7 | -171.6 | -59.1 | 179.6 | -178.1 | -153.2 | -4.8 | 114.1 | Y7 V124 | Y7-R122 WeakPolarHBondContact CB-O 3.47Å; Y7-R122 WeakPolarHBondContact CD1-O 3.3Å; R122-V124 PolarHBondContact O-N 3.39Å | ||
| 123 | T | 98.7 | Very high | 98.8 | Very high | 40 Ų | 40 | 19.7 Ų | 19.7 | 25% | 0.245 | 10% | 0.098 | C | C | . | . | trans | -81.8 | 60.3 | -176.3 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | Y7 T94 H95 V96 H121 | Y7-T123 HydrophobicContact CD2-CG2 4.03Å; Y7-T123 HydrophobicContact CE2-CG2 3.83Å; T94-T123 PolarHBondContact O-OG1 3.5Å; H95-T123 CarbonylContact C-O 3.57Å; H95-T123 VanDerWaalsContact CA-O 3.31Å; H95-T123 WeakPolarHBondContact CA-O 3.38Å; H95-T123 PolarHBondContact CD2-O 3.33Å; V96-T123 PolarHBondContact N-O 2.94Å; H121-T123 PolarHBondContact CE1-OG1 2.82Å; H121-T123 PolarHBondContact NE2-O 3.32Å; H121-T123 PolarHBondContact NE2-OG1 3.18Å | ||
| 124 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139 | -179.6 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | V96 V98 W113 F116 R117 R122 | V96-V124 HydrophobicContact CB-CB 4.29Å; V96-V124 HydrophobicContact CB-CG2 4.01Å; V96-V124 HydrophobicContact CG1-CG2 4.21Å; V96-V124 CarbonylContact O-C 3.48Å; V96-V124 VanDerWaalsContact O-CA 3.26Å; V96-V124 WeakPolarHBondContact O-CA 3.37Å; V98-V124 HydrophobicContact CG2-CG2 4.19Å; W113-V124 HydrophobicContact CB-CG2 4.37Å; W113-V124 HydrophobicContact CG-CG1 4.47Å; F116-V124 HydrophobicContact CB-CB 4.01Å; F116-V124 HydrophobicContact CB-CG1 3.83Å; F116-V124 HydrophobicContact CB-CG2 4.06Å; F116-V124 HydrophobicContact CD2-CG2 4.02Å; F116-V124 HydrophobicContact CG-CB 4.44Å; F116-V124 HydrophobicContact CG-CG2 4.21Å; R117-V124 HydrophobicContact CG-CG1 3.81Å; R122-V124 PolarHBondContact O-N 3.39Å |
| 125 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.8 | 179.2 | -48.2 | 0 | 0 | 0 | 0 | 111.1 | R8 A9 H95 V96 V97 V98 | R8-S125 PolarHBondContact O-OG 2.73Å; A9-S125 CarbonylContact O-C 3.29Å; A9-S125 VanDerWaalsContact O-CA 3.25Å; A9-S125 WeakPolarHBondContact O-CA 3.37Å; H95-S125 PolarHBondContact NE2-OG 3.23Å; V96-S125 PolarHBondContact O-N 2.88Å; V97-S125 CarbonylContact C-O 3.59Å; V97-S125 WeakPolarHBondContact CA-O 3.33Å; V98-S125 PolarHBondContact N-O 3.31Å |
| 126 | V | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.2 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | A9 L10 V11 V98 A109 W113 N128 L259 | A9-V126 PolarHBondContact O-N 2.96Å; L10-V126 WeakPolarHBondContact CA-O 3.25Å; L10-V126 HydrophobicContact CD2-CB 4.11Å; V11-V126 PolarHBondContact N-O 2.89Å; V98-V126 CarbonylContact O-C 3.55Å; V98-V126 VanDerWaalsContact O-CA 3.32Å; V98-V126 WeakPolarHBondContact O-CA 3.41Å; A109-V126 HydrophobicContact CB-CG1 3.89Å; A109-V126 HydrophobicContact CB-CG2 4.5Å; W113-V126 HydrophobicContact CB-CG2 3.66Å; W113-V126 HydrophobicContact CG-CG2 3.99Å; V126-N128 PolarHBondContact O-N 3.42Å; V126-L259 HydrophobicContact CG2-CD2 4.25Å |
| 127 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 107.4 | 171.3 | -175 | 63.6 | 0 | 0 | 0 | 109.5 | V11 T13 L16 V97 V98 Y99 G129 G130 W134 | V11-L127 HydrophobicContact CG2-CD1 4.14Å; T13-L127 HydrophobicContact CG2-CD1 4.42Å; L16-L127 HydrophobicContact CB-CD1 4.11Å; L16-L127 HydrophobicContact CD2-CD1 3.9Å; L16-L127 HydrophobicContact CD2-CD2 4.09Å; V97-L127 HydrophobicContact CG1-CB 4.27Å; V98-L127 PolarHBondContact O-N 3.14Å; Y99-L127 HydrophobicContact CD1-CD2 4.45Å; Y99-L127 HydrophobicContact CG-CD2 4.29Å; L127-G129 PolarHBondContact O-N 2.94Å; L127-G130 PolarHBondContact O-N 2.68Å; L127-W134 HydrophobicContact CD2-CE3 4.29Å |
| 128 | N | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 121.4 | 179.8 | -168.3 | 13.8 | 0 | 0 | 0 | 110.1 | L10 V11 V126 F222 E223 | L10-N128 HydrophobicContact CB-CB 4.38Å; L10-N128 HydrophobicContact CD1-CB 4.44Å; L10-N128 HydrophobicContact CD2-CB 4.27Å; V11-N128 PolarHBondContact O-N 3.21Å; V126-N128 PolarHBondContact O-N 3.42Å; N128-F222 WeakPolarHBondContact OD1-CA 3.31Å; N128-E223 PolarHBondContact OD1-N 3.46Å |
| 129 | G | 98.5 | Very high | 98.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -11.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | L127 N133 G221 | L127-G129 PolarHBondContact O-N 2.94Å; G129-N133 WeakPolarHBondContact CA-ND2 3.29Å; G129-N133 WeakPolarHBondContact O-CB 3.48Å; G129-N133 PolarHBondContact O-N 3.28Å; G129-N133 PolarHBondContact O-ND2 3.01Å; G129-G221 WeakPolarHBondContact CA-O 3.32Å |
| 130 | G | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | 58.8 | -163.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G105 L127 R132 N133 W134 | G105-G130 VanDerWaalsContact O-CA 3.27Å; G105-G130 WeakPolarHBondContact O-CA 3.43Å; G105-G130 PolarHBondContact O-N 3.04Å; L127-G130 PolarHBondContact O-N 2.68Å; G130-R132 PolarHBondContact O-N 2.84Å; G130-N133 PolarHBondContact O-N 2.99Å; G130-W134 PolarHBondContact O-N 3.3Å |
| 131 | F | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 41 Ų | 41 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -26.5 | 175.4 | -160.7 | -127.6 | 0 | 0 | 0 | 112.1 | R51 V53 Y99 D100 N133 W134 L135 V141 | R51-F131 HydrophobicContact CB-CE1 4.41Å; R51-F131 HydrophobicContact CB-CZ 4.17Å; R51-F131 WeakPolarHBondContact O-CZ 3.43Å; V53-F131 HydrophobicContact CG2-CD2 4.12Å; V53-F131 HydrophobicContact CG2-CE2 4.1Å; Y99-F131 HydrophobicContact CD2-CB 3.66Å; Y99-F131 HydrophobicContact CD2-CD2 4.27Å; Y99-F131 HydrophobicContact CD2-CG 4.25Å; Y99-F131 HydrophobicContact CE2-CB 3.73Å; Y99-F131 AromaticContact CE2-CD2 3.7Å; Y99-F131 HydrophobicContact CE2-CD2 3.7Å; Y99-F131 HydrophobicContact CE2-CE2 4.49Å; Y99-F131 AromaticContact CE2-CG 3.81Å; Y99-F131 HydrophobicContact CE2-CG 3.81Å; D100-F131 WeakPolarHBondContact O-CB 3.33Å; D100-F131 PolarHBondContact O-N 3.28Å; F131-N133 PolarHBondContact O-N 3.04Å; F131-W134 HydrophobicContact CD2-CB 4.09Å; F131-W134 AromaticContact CD2-CD1 3.94Å; F131-W134 HydrophobicContact CD2-CG 4.15Å; F131-W134 AromaticContact CE2-CD1 3.7Å; F131-W134 HydrophobicContact CE2-CG 4.34Å; F131-W134 WeakPolarHBondContact O-CB 3.29Å; F131-W134 PolarHBondContact O-N 2.78Å; F131-L135 HydrophobicContact CD1-CD1 3.81Å; F131-L135 HydrophobicContact CD1-CG 4.14Å; F131-L135 HydrophobicContact CE1-CD1 3.71Å; F131-L135 HydrophobicContact CE1-CD2 4.11Å; F131-L135 HydrophobicContact CE1-CG 3.98Å; F131-L135 HydrophobicContact CE2-CD2 4.45Å; F131-L135 HydrophobicContact CE2-CG 4.5Å; F131-L135 HydrophobicContact CG-CG 4.49Å; F131-L135 HydrophobicContact CZ-CD1 4.36Å; F131-L135 HydrophobicContact CZ-CD2 3.94Å; F131-L135 HydrophobicContact CZ-CG 4.16Å; F131-L135 WeakPolarHBondContact O-CG 3.12Å; F131-L135 PolarHBondContact O-N 3.08Å; F131-V141 HydrophobicContact CE2-CG1 3.9Å; F131-V141 HydrophobicContact CZ-CG1 3.83Å |
| 132 | R | 98.6 | Very high | 98.7 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -52.1 | -55.7 | 173.7 | 170.2 | 174.2 | 171.7 | -158.5 | -8.3 | 111.2 | H103 G130 L135 K136 E219 | H103-R132 WeakPolarHBondContact O-CD 3.26Å; H103-R132 PolarHBondContact O-NE 2.95Å; H103-R132 PolarHBondContact O-NH1 3.39Å; G130-R132 PolarHBondContact O-N 2.84Å; R132-L135 PolarHBondContact O-N 2.83Å; R132-K136 WeakPolarHBondContact O-CB 3.43Å; R132-K136 PolarHBondContact O-N 3.13Å; R132-E219 PolarHBondContact NH1-O 3.35Å; R132-E219 PolarHBondContact NH2-O 3.43Å |
| 133 | N | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.5 | -26.5 | -178.3 | -72.6 | -71.5 | 0 | 0 | 0 | 112.4 | T13 G129 G130 F131 L135 K136 E137 D220 F222 | T13-N133 HydrophobicContact CG2-CB 4.34Å; G129-N133 WeakPolarHBondContact CA-ND2 3.29Å; G129-N133 WeakPolarHBondContact O-CB 3.48Å; G129-N133 PolarHBondContact O-N 3.28Å; G129-N133 PolarHBondContact O-ND2 3.01Å; G130-N133 PolarHBondContact O-N 2.99Å; F131-N133 PolarHBondContact O-N 3.04Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 2.92Å; N133-K136 PolarHBondContact O-N 3.16Å; N133-E137 VanDerWaalsContact O-CB 3.29Å; N133-E137 WeakPolarHBondContact O-CB 3.46Å; N133-E137 VanDerWaalsContact O-CG 3.25Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 3.24Å; N133-D220 PolarHBondContact ND2-O 2.85Å; N133-F222 HydrophobicContact CB-CE1 4.13Å; N133-F222 HydrophobicContact CB-CZ 3.84Å; N133-F222 VanDerWaalsContact CG-CZ 3.47Å |
| 134 | W | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.3 | -48.5 | 167.9 | -175.5 | -89.3 | 0 | 0 | 0 | 111.9 | T13 L16 A17 I20 V53 L127 G130 F131 H139 P140 | T13-W134 HydrophobicContact CG2-CE3 4.47Å; L16-W134 HydrophobicContact CB-CZ3 3.95Å; L16-W134 HydrophobicContact CD2-CE3 4.43Å; L16-W134 HydrophobicContact CD2-CH2 4.44Å; L16-W134 HydrophobicContact CD2-CZ3 3.9Å; L16-W134 HydrophobicContact CG-CH2 4.21Å; L16-W134 HydrophobicContact CG-CZ3 3.86Å; A17-W134 HydrophobicContact CB-CH2 3.87Å; A17-W134 HydrophobicContact CB-CZ3 4.02Å; I20-W134 HydrophobicContact CD1-CH2 3.75Å; I20-W134 HydrophobicContact CD1-CZ2 4.12Å; V53-W134 HydrophobicContact CB-CZ2 4.41Å; V53-W134 HydrophobicContact CG1-CH2 3.98Å; V53-W134 HydrophobicContact CG1-CZ2 3.78Å; V53-W134 HydrophobicContact CG2-CD2 3.87Å; V53-W134 HydrophobicContact CG2-CE3 4.38Å; V53-W134 HydrophobicContact CG2-CG 4.17Å; V53-W134 HydrophobicContact CG2-CZ2 4.14Å; L127-W134 HydrophobicContact CD2-CE3 4.29Å; G130-W134 PolarHBondContact O-N 3.3Å; F131-W134 HydrophobicContact CD2-CB 4.09Å; F131-W134 AromaticContact CD2-CD1 3.94Å; F131-W134 HydrophobicContact CD2-CG 4.15Å; F131-W134 AromaticContact CE2-CD1 3.7Å; F131-W134 HydrophobicContact CE2-CG 4.34Å; F131-W134 WeakPolarHBondContact O-CB 3.29Å; F131-W134 PolarHBondContact O-N 2.78Å; W134-H139 HydrophobicContact CD2-CB 3.56Å; W134-H139 HydrophobicContact CE3-CB 3.99Å; W134-H139 HydrophobicContact CG-CB 4.04Å; W134-H139 HydrophobicContact CH2-CB 3.99Å; W134-H139 HydrophobicContact CZ2-CB 3.56Å; W134-H139 HydrophobicContact CZ3-CB 4.18Å; W134-H139 PolarHBondContact O-N 3.05Å; W134-H139 VanDerWaalsContact O-N 3.15Å; W134-P140 WeakPolarHBondContact CZ2-O 3.48Å; W134-P140 PolarHBondContact NE1-O 3.25Å |
| 135 | L | 98.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 176.4 | -67.7 | 175.5 | 0 | 0 | 0 | 112.4 | F131 R132 N133 E137 G138 V141 | F131-L135 HydrophobicContact CD1-CD1 3.81Å; F131-L135 HydrophobicContact CD1-CG 4.14Å; F131-L135 HydrophobicContact CE1-CD1 3.71Å; F131-L135 HydrophobicContact CE1-CD2 4.11Å; F131-L135 HydrophobicContact CE1-CG 3.98Å; F131-L135 HydrophobicContact CE2-CD2 4.45Å; F131-L135 HydrophobicContact CE2-CG 4.5Å; F131-L135 HydrophobicContact CG-CG 4.49Å; F131-L135 HydrophobicContact CZ-CD1 4.36Å; F131-L135 HydrophobicContact CZ-CD2 3.94Å; F131-L135 HydrophobicContact CZ-CG 4.16Å; F131-L135 WeakPolarHBondContact O-CG 3.12Å; F131-L135 PolarHBondContact O-N 3.08Å; R132-L135 PolarHBondContact O-N 2.83Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 2.92Å; L135-E137 PolarHBondContact O-N 2.82Å; L135-G138 PolarHBondContact O-N 3.44Å; L135-V141 HydrophobicContact CD2-CG1 3.72Å |
| 136 | K | 98.7 | Very high | 98.5 | Very high | 132 Ų | 132 | 48.2 Ų | 48.2 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58 | -36.8 | -179.3 | -173.1 | -177.7 | 176.1 | -174.6 | 0 | 112.1 | R132 N133 G138 D220 | R132-K136 WeakPolarHBondContact O-CB 3.43Å; R132-K136 PolarHBondContact O-N 3.13Å; N133-K136 PolarHBondContact O-N 3.16Å; K136-G138 VanDerWaalsContact C-N 3.28Å; K136-D220 IonicContact NZ-OD1 3.05Å; K136-D220 PolarHBondContact NZ-OD1 3.35Å; K136-D220 VanDerWaalsContact NZ-OD1 3.15Å |
| 137 | E | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -1.9 | 179.2 | -67.3 | 173.8 | -148.8 | 0 | 0 | 113.5 | T13 N133 L135 H139 | T13-E137 VanDerWaalsContact CB-OE2 3.28Å; T13-E137 WeakPolarHBondContact CB-OE2 3.38Å; T13-E137 PolarHBondContact OG1-OE1 2.98Å; T13-E137 PolarHBondContact OG1-OE2 3.18Å; N133-E137 VanDerWaalsContact O-CB 3.29Å; N133-E137 WeakPolarHBondContact O-CB 3.46Å; N133-E137 VanDerWaalsContact O-CG 3.25Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 3.24Å; L135-E137 PolarHBondContact O-N 2.82Å; E137-H139 WeakPolarHBondContact CB-NE2 3.46Å; E137-H139 PolarHBondContact O-N 3.29Å; E137-H139 IonicContact OE2-CD2 2.86Å; E137-H139 IonicContact OE2-CE1 3.69Å; E137-H139 IonicContact OE2-NE2 2.98Å; E137-H139 PolarHBondContact OE2-NE2 3.3Å |
| 138 | G | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 59.5 Ų | 59.5 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 25.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L135 K136 | L135-G138 PolarHBondContact O-N 3.44Å; K136-G138 VanDerWaalsContact C-N 3.28Å |
| 139 | H | 98.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 65 Ų | 65 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | trans | -70.3 | 153.8 | 176 | -66.8 | -62 | 0 | 0 | 0 | 111.5 | A17 W134 E137 | A17-H139 VanDerWaalsContact CB-ND1 3.27Å; A17-H139 WeakPolarHBondContact CB-ND1 3.41Å; W134-H139 HydrophobicContact CD2-CB 3.56Å; W134-H139 HydrophobicContact CE3-CB 3.99Å; W134-H139 HydrophobicContact CG-CB 4.04Å; W134-H139 HydrophobicContact CH2-CB 3.99Å; W134-H139 HydrophobicContact CZ2-CB 3.56Å; W134-H139 HydrophobicContact CZ3-CB 4.18Å; W134-H139 PolarHBondContact O-N 3.05Å; W134-H139 VanDerWaalsContact O-N 3.15Å; E137-H139 WeakPolarHBondContact CB-NE2 3.46Å; E137-H139 PolarHBondContact O-N 3.29Å; E137-H139 IonicContact OE2-CD2 2.86Å; E137-H139 IonicContact OE2-CE1 3.69Å; E137-H139 IonicContact OE2-NE2 2.98Å; E137-H139 PolarHBondContact OE2-NE2 3.3Å | ||
| 140 | P | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | trans | -59.6 | 141.9 | -175.9 | -24.2 | 34.4 | 0 | 0 | 0 | 113.1 | P54 W134 | P54-P140 WeakPolarHBondContact CD-O 3.34Å; P54-P140 HydrophobicContact CG-CB 4.15Å; W134-P140 WeakPolarHBondContact CZ2-O 3.48Å; W134-P140 PolarHBondContact NE1-O 3.25Å | ||
| 141 | V | 98.8 | Very high | 98.2 | Very high | 58 Ų | 58 | 71.1 Ų | 71.1 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | trans | -129.3 | 159.4 | 170.7 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | R51 H52 F131 L135 | R51-V141 HydrophobicContact CG-CG2 4.44Å; H52-V141 CarbonylContact O-C 3.47Å; H52-V141 VanDerWaalsContact O-CA 3.31Å; H52-V141 WeakPolarHBondContact O-CA 3.41Å; F131-V141 HydrophobicContact CE2-CG1 3.9Å; F131-V141 HydrophobicContact CZ-CG1 3.83Å; L135-V141 HydrophobicContact CD2-CG1 3.72Å | ||
| 142 | T | 98.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 76.2 Ų | 76.2 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -142.8 | 160.9 | 177.5 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | R51 H52 P54 E144 | R51-T142 CarbonylContact C-O 3.53Å; R51-T142 WeakPolarHBondContact CA-O 3.49Å; H52-T142 PolarHBondContact CE1-O 3Å; H52-T142 PolarHBondContact N-O 3.31Å; H52-T142 PolarHBondContact ND1-O 2.98Å; H52-T142 VanDerWaalsContact ND1-O 3.13Å; H52-T142 PolarHBondContact O-N 3.02Å; P54-T142 HydrophobicContact CB-CG2 4.29Å; P54-T142 HydrophobicContact CG-CG2 4.37Å; T142-E144 WeakPolarHBondContact OG1-CB 3.3Å; T142-E144 WeakPolarHBondContact OG1-CG 3.44Å; T142-E144 PolarHBondContact OG1-N 2.77Å |
| 143 | S | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 73.1 Ų | 73.1 | 49% | 0.49 | 41% | 0.405 | S | S | . | . | trans | -108 | -0.4 | 166.1 | 59.1 | 0 | 0 | 0 | 0 | 112 | L49 E50 | L49-S143 WeakPolarHBondContact O-CA 3.49Å; L49-S143 VanDerWaalsContact O-CB 3.32Å; L49-S143 WeakPolarHBondContact O-CB 3.37Å; E50-S143 WeakPolarHBondContact O-CB 3.44Å | ||
| 144 | E | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 80.1 Ų | 80.1 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -68.8 | 135.2 | -178.1 | -68.2 | -58.1 | 142.6 | 0 | 0 | 110.8 | H52 T142 S146 | H52-E144 PolarHBondContact CE1-O 3.41Å; H52-E144 PolarHBondContact NE2-O 2.96Å; T142-E144 WeakPolarHBondContact OG1-CB 3.3Å; T142-E144 WeakPolarHBondContact OG1-CG 3.44Å; T142-E144 PolarHBondContact OG1-N 2.77Å; E144-S146 PolarHBondContact O-N 2.76Å |
| 145 | P | 95.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 80.6 Ų | 80.6 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 128.5 | -176.5 | 27.7 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 146 | S | 96.3 | Very high | 98.2 | Very high | 31 Ų | 31 | 81.2 Ų | 81.2 | 22% | 0.217 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 120.8 | 170.4 | -67 | 0 | 0 | 0 | 0 | 110.8 | G55 A56 E144 P148 | G55-S146 WeakPolarHBondContact CA-OG 3.26Å; A56-S146 VanDerWaalsContact O-CB 3.29Å; A56-S146 WeakPolarHBondContact O-CB 3.46Å; A56-S146 PolarHBondContact O-OG 2.87Å; E144-S146 PolarHBondContact O-N 2.76Å; S146-P148 WeakPolarHBondContact O-CD 3.38Å |
| 147 | R | 96.4 | Very high | 98.2 | Very high | 217 Ų | 217 | 77.1 Ų | 77.1 | 82% | 0.819 | 43% | 0.43 | S | S | * | . | trans | -119.8 | 77 | 178.8 | -61.8 | -175.7 | -175 | -169 | 1.6 | 110.6 | ||||
| 148 | P | 97.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 76.1 Ų | 76.1 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 143.5 | 178.5 | 30.8 | -35.7 | 0 | 0 | 0 | 111.2 | R30 L88 S146 | R30-P148 VanDerWaalsContact NH2-CB 3.29Å; L88-P148 WeakPolarHBondContact O-CG 3.23Å; S146-P148 WeakPolarHBondContact O-CD 3.38Å |
| 149 | E | 97.9 | Very high | 98.1 | Very high | 153 Ų | 153 | 82.5 Ų | 82.5 | 72% | 0.715 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 129.3 | 164.3 | -67.8 | -57.3 | 141.6 | 0 | 0 | 109.7 | G89 | G89-E149 WeakPolarHBondContact CA-O 3.37Š|
| 150 | P | 98.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 64% | 0.643 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -57 | 147.6 | 175.7 | -25.3 | 34.6 | 0 | 0 | 0 | 112.1 | G86 | G86-P150 WeakPolarHBondContact O-CA 3.38Š|
| 151 | A | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 80.2 Ų | 80.2 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | trans | -129.6 | 161.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | G86 | G86-A151 CarbonylContact C-O 2.99Å; G86-A151 WeakPolarHBondContact CA-O 3.38Å; G86-A151 PolarHBondContact O-N 2.8Å | ||
| 152 | V | 98.8 | Very high | 98.1 | Very high | 126 Ų | 126 | 79.2 Ų | 79.2 | 76% | 0.764 | 41% | 0.414 | S | S | * | . | trans | -89.8 | 121.8 | 172.1 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 153 | F | 98.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 78.6 Ų | 78.6 | 6% | 0.057 | 41% | 0.408 | C | S | . | . | trans | -110.5 | 145.3 | 170.6 | -170.4 | -90.2 | 0 | 0 | 0 | 109.7 | F81 A82 V85 I90 F116 H121 A155 | F81-F153 HydrophobicContact CD1-CD1 4.39Å; F81-F153 AromaticContact CD1-CE1 3.84Å; F81-F153 HydrophobicContact CD1-CE1 3.84Å; F81-F153 HydrophobicContact CD1-CZ 4.49Å; F81-F153 AromaticContact CE1-CE1 3.72Å; F81-F153 HydrophobicContact CE1-CE1 3.72Å; F81-F153 AromaticContact CE1-CZ 3.92Å; F81-F153 HydrophobicContact CE1-CZ 3.92Å; A82-F153 HydrophobicContact CB-CD1 4.09Å; V85-F153 HydrophobicContact CG2-CB 3.69Å; V85-F153 HydrophobicContact CG2-CD1 3.68Å; V85-F153 HydrophobicContact CG2-CD2 3.76Å; V85-F153 HydrophobicContact CG2-CE1 4.18Å; V85-F153 HydrophobicContact CG2-CE2 4.25Å; V85-F153 HydrophobicContact CG2-CG 3.43Å; V85-F153 VanDerWaalsContact CG2-CG 3.43Å; V85-F153 HydrophobicContact CG2-CZ 4.42Å; I90-F153 HydrophobicContact CG2-CD2 4.05Å; I90-F153 HydrophobicContact CG2-CE2 4.26Å; F116-F153 HydrophobicContact CD1-CE2 4.36Å; F116-F153 HydrophobicContact CD1-CZ 4.28Å; F116-F153 HydrophobicContact CE1-CE2 4.32Å; H121-F153 HydrophobicContact CB-CE2 4.01Å; H121-F153 HydrophobicContact CB-CZ 3.67Å; H121-F153 AromaticContact CG-CE2 3.88Å; H121-F153 AromaticContact ND1-CE2 3.7Å; F153-A155 HydrophobicContact CD1-CB 4.27Å; F153-A155 HydrophobicContact CE1-CB 4Å | ||
| 154 | K | 98.8 | Very high | 98.1 | Very high | 150 Ų | 150 | 78.6 Ų | 78.6 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | trans | -120.4 | 101.7 | 175.7 | -176.7 | -174.5 | 175.2 | -177.4 | 0 | 107.9 | N92 | N92-K154 WeakPolarHBondContact ND2-CB 3.27Å; N92-K154 PolarHBondContact ND2-N 3.28Å; N92-K154 PolarHBondContact OD1-N 3.09Å; N92-K154 PolarHBondContact OD1-O 3.17Å; N92-K154 VanDerWaalsContact OD1-O 3.11Å | ||
| 155 | A | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 73.6 Ų | 73.6 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | trans | -75.4 | 142 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E78 F81 A82 F119 F153 | E78-A155 HydrophobicContact CB-CB 4.02Å; E78-A155 VanDerWaalsContact O-CB 3.23Å; E78-A155 WeakPolarHBondContact O-CB 3.4Å; F81-A155 HydrophobicContact CD1-CB 4.24Å; A82-A155 HydrophobicContact CB-CB 4.07Å; F119-A155 HydrophobicContact CB-CB 4.03Å; F119-A155 HydrophobicContact CD1-CB 3.94Å; F119-A155 HydrophobicContact CG-CB 4.16Å; F153-A155 HydrophobicContact CD1-CB 4.27Å; F153-A155 HydrophobicContact CE1-CB 4Å | ||
| 156 | T | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 74 Ų | 74 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | trans | -143.3 | 116.6 | 168.2 | -60.3 | 0 | 0 | 0 | 0 | 108.2 | E78 F119 G120 D158 | E78-T156 WeakPolarHBondContact OE1-CA 3.27Å; F119-T156 CarbonylContact C-O 3.3Å; F119-T156 WeakPolarHBondContact CA-O 3.27Å; F119-T156 PolarHBondContact O-N 3.37Å; G120-T156 PolarHBondContact N-O 3.33Å; T156-D158 PolarHBondContact O-N 3.45Å | ||
| 157 | L | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | trans | -70.4 | 111.7 | -173 | -174 | 73.1 | 0 | 0 | 0 | 110.6 | L75 E78 V118 F119 R159 L162 | L75-L157 HydrophobicContact CD1-CD1 4.23Å; E78-L157 HydrophobicContact CG-CB 4.1Å; E78-L157 WeakPolarHBondContact OE1-CB 3.42Å; E78-L157 PolarHBondContact OE1-N 2.95Å; V118-L157 HydrophobicContact CG2-CD1 3.86Å; V118-L157 CarbonylContact O-C 3.51Å; V118-L157 WeakPolarHBondContact O-CA 3.31Å; F119-L157 HydrophobicContact CD1-CD1 4.12Å; F119-L157 HydrophobicContact CE1-CD1 3.85Å; L157-R159 HydrophobicContact CD2-CG 4.24Å; L157-R159 HydrophobicContact CG-CG 4.46Å; L157-R159 PolarHBondContact O-N 3.34Å; L157-L162 HydrophobicContact CD1-CD2 4.41Å; L157-L162 HydrophobicContact CD2-CD2 4.34Å | ||
| 158 | D | 98.5 | Very high | 98.5 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | trans | -80.9 | 93.3 | 168.3 | -169.2 | -12.4 | 0 | 0 | 0 | 110.3 | V118 T156 S160 L161 | V118-D158 PolarHBondContact O-N 3.32Å; T156-D158 PolarHBondContact O-N 3.45Å; D158-S160 VanDerWaalsContact CG-OG 3.23Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 VanDerWaalsContact OD1-CB 3.28Å; D158-S160 WeakPolarHBondContact OD1-CB 3.31Å; D158-S160 PolarHBondContact OD1-N 3.23Å; D158-S160 PolarHBondContact OD1-OG 3.1Å; D158-S160 PolarHBondContact OD2-OG 3.35Å; D158-L161 PolarHBondContact O-N 3.02Å; D158-L161 VanDerWaalsContact O-N 3.12Å | ||
| 159 | R | 97.9 | Very high | 98.6 | Very high | 197 Ų | 197 | 67.3 Ų | 67.3 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -61.4 | -12.7 | 178.1 | -65.2 | -177.7 | 177.3 | -111.6 | -0.2 | 113.9 | L157 L161 | L157-R159 HydrophobicContact CD2-CG 4.24Å; L157-R159 HydrophobicContact CG-CG 4.46Å; L157-R159 PolarHBondContact O-N 3.34Å; R159-L161 VanDerWaalsContact C-N 3.3Å |
| 160 | S | 98.2 | Very high | 98.6 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -72.1 | -27.2 | 175.9 | 72 | 0 | 0 | 0 | 0 | 112.6 | D158 A270 | D158-S160 VanDerWaalsContact CG-OG 3.23Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 VanDerWaalsContact OD1-CB 3.28Å; D158-S160 WeakPolarHBondContact OD1-CB 3.31Å; D158-S160 PolarHBondContact OD1-N 3.23Å; D158-S160 PolarHBondContact OD1-OG 3.1Å; D158-S160 PolarHBondContact OD2-OG 3.35Å; S160-A270 WeakPolarHBondContact O-CB 3.37Å |
| 161 | L | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -91.6 | 0.4 | -179.9 | -62.6 | 179 | 0 | 0 | 0 | 113.6 | W114 R117 V118 D158 R159 P267 A270 V271 | W114-L161 WeakPolarHBondContact CZ2-O 3.48Å; W114-L161 PolarHBondContact NE1-O 2.78Å; W114-L161 VanDerWaalsContact NE1-O 3.12Å; R117-L161 HydrophobicContact CB-CD1 4.07Å; V118-L161 HydrophobicContact CB-CB 4.37Å; V118-L161 HydrophobicContact CG2-CB 4.1Å; D158-L161 PolarHBondContact O-N 3.02Å; D158-L161 VanDerWaalsContact O-N 3.12Å; R159-L161 VanDerWaalsContact C-N 3.3Å; L161-P267 WeakPolarHBondContact CD2-O 3.42Å; L161-A270 CarbonylContact O-C 3.59Å; L161-A270 VanDerWaalsContact O-CA 3.3Å; L161-A270 WeakPolarHBondContact O-CA 3.45Å; L161-V271 PolarHBondContact O-N 2.81Å |
| 162 | L | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.4 | -178.5 | 178.1 | 64.5 | 0 | 0 | 0 | 110.4 | L75 W114 V118 L157 D273 | L75-L162 HydrophobicContact CD1-CD1 4.12Å; L75-L162 HydrophobicContact CD1-CD2 4.11Å; W114-L162 HydrophobicContact CH2-CD1 4.05Å; W114-L162 HydrophobicContact CZ2-CD1 4.2Å; V118-L162 HydrophobicContact CG2-CB 4.06Å; L157-L162 HydrophobicContact CD1-CD2 4.41Å; L157-L162 HydrophobicContact CD2-CD2 4.34Å; L162-D273 HydrophobicContact CD1-CB 3.67Å |
| 163 | K | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.8 | 165.7 | -62.4 | -64.9 | 174.6 | -165.2 | 0 | 110.6 | Q167 V168 I245 A270 V271 Y272 | K163-Q167 HydrophobicContact CD-CB 4.17Å; K163-V168 HydrophobicContact CB-CG2 4.15Å; K163-I245 HydrophobicContact CB-CG2 4.35Å; K163-I245 HydrophobicContact CD-CD1 4.13Å; K163-I245 HydrophobicContact CD-CG1 4.47Å; K163-I245 HydrophobicContact CG-CD1 3.75Å; K163-I245 HydrophobicContact CG-CG1 3.82Å; K163-I245 HydrophobicContact CG-CG2 4.08Å; K163-A270 HydrophobicContact CD-CB 4.39Å; K163-A270 HydrophobicContact CG-CB 3.76Å; K163-V271 PolarHBondContact N-O 3.15Å; K163-Y272 WeakPolarHBondContact O-CA 3.17Å; K163-Y272 WeakPolarHBondContact O-CD2 3.44Å |
| 164 | N | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | trans | -95.7 | 172 | 169.8 | 67.6 | 7.4 | 0 | 0 | 0 | 111 | E166 Q167 V168 | N164-E166 VanDerWaalsContact C-N 3.32Å; N164-E166 PolarHBondContact ND2-OE2 3.43Å; N164-E166 PolarHBondContact O-N 2.81Å; N164-E166 PolarHBondContact OD1-N 2.83Å; N164-Q167 VanDerWaalsContact N-OE1 3.16Å; N164-Q167 PolarHBondContact O-N 2.72Å; N164-Q167 VanDerWaalsContact OD1-CB 3.29Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.18Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.4Å; N164-Q167 PolarHBondContact OD1-N 3.13Å; N164-Q167 PolarHBondContact OD1-OE1 3.26Å; N164-V168 WeakPolarHBondContact O-CG2 3.32Å; N164-V168 PolarHBondContact O-N 3.29Å | ||
| 165 | Y | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.6 | -46.7 | 176.8 | 163.9 | -98.4 | 0 | 0 | 0 | 112.7 | Q167 V168 L169 W279 R282 A283 | Y165-Q167 VanDerWaalsContact C-N 3.33Å; Y165-Q167 PolarHBondContact O-N 2.89Å; Y165-V168 PolarHBondContact O-N 3.15Å; Y165-V168 VanDerWaalsContact O-N 3.16Å; Y165-L169 HydrophobicContact CE1-CD2 4.12Å; Y165-L169 WeakPolarHBondContact O-CB 3.37Å; Y165-L169 PolarHBondContact O-N 3.42Å; Y165-W279 AromaticContact CD2-CE3 3.82Å; Y165-W279 HydrophobicContact CD2-CE3 3.82Å; Y165-W279 AromaticContact CD2-CZ3 4Å; Y165-W279 HydrophobicContact CD2-CZ3 4Å; Y165-W279 AromaticContact CE2-CE3 3.99Å; Y165-W279 HydrophobicContact CE2-CE3 3.99Å; Y165-W279 HydrophobicContact CE2-CZ3 4.02Å; Y165-R282 VanDerWaalsContact CD1-NH2 3.32Å; Y165-R282 HydrophobicContact CD2-CB 4.07Å; Y165-R282 HydrophobicContact CE2-CB 3.76Å; Y165-R282 PolarHBondContact OH-O 3.5Å; Y165-A283 HydrophobicContact CE2-CB 3.91Å |
| 166 | E | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 72 Ų | 72 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | -175.4 | -65 | 73.4 | -156.8 | 0 | 0 | 111.6 | N164 L169 E170 R282 | N164-E166 VanDerWaalsContact C-N 3.32Å; N164-E166 PolarHBondContact ND2-OE2 3.43Å; N164-E166 PolarHBondContact O-N 2.81Å; N164-E166 PolarHBondContact OD1-N 2.83Å; E166-L169 PolarHBondContact O-N 3.01Å; E166-E170 PolarHBondContact O-N 2.58Å; E166-R282 IonicContact OE1-CZ 3.04Å; E166-R282 IonicContact OE1-NH1 3.62Å; E166-R282 PolarHBondContact OE1-NH1 3Å; E166-R282 IonicContact OE1-NH2 3.82Å; E166-R282 PolarHBondContact OE1-NH2 3.15Å |
| 167 | Q | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 177.2 | -72.4 | 170.4 | -39.3 | 0 | 0 | 112.6 | K163 N164 Y165 N171 | K163-Q167 HydrophobicContact CD-CB 4.17Å; N164-Q167 VanDerWaalsContact N-OE1 3.16Å; N164-Q167 PolarHBondContact O-N 2.72Å; N164-Q167 VanDerWaalsContact OD1-CB 3.29Å; N164-Q167 WeakPolarHBondContact OD1-CB 3.18Å; N164-Q167 WeakPolarHBondContact OD1-CG 3.4Å; N164-Q167 PolarHBondContact OD1-N 3.13Å; N164-Q167 PolarHBondContact OD1-OE1 3.26Å; Y165-Q167 VanDerWaalsContact C-N 3.33Å; Y165-Q167 PolarHBondContact O-N 2.89Å; Q167-N171 WeakPolarHBondContact O-CB 3.38Å; Q167-N171 PolarHBondContact O-N 3.15Å; Q167-N171 VanDerWaalsContact O-N 3.11Å |
| 168 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 175.7 | 179 | 0 | 0 | 0 | 0 | 110.7 | K163 N164 Y165 N171 L172 L179 I205 Y272 W279 | K163-V168 HydrophobicContact CB-CG2 4.15Å; N164-V168 WeakPolarHBondContact O-CG2 3.32Å; N164-V168 PolarHBondContact O-N 3.29Å; Y165-V168 PolarHBondContact O-N 3.15Å; Y165-V168 VanDerWaalsContact O-N 3.16Å; V168-N171 WeakPolarHBondContact O-CB 3.4Å; V168-N171 PolarHBondContact O-N 3.29Å; V168-L172 PolarHBondContact O-N 3.25Å; V168-L179 HydrophobicContact CG1-CD2 4.11Å; V168-I205 HydrophobicContact CG1-CD1 4.19Å; V168-Y272 HydrophobicContact CG1-CD1 4.38Å; V168-Y272 HydrophobicContact CG2-CD1 3.96Å; V168-Y272 HydrophobicContact CG2-CD2 3.89Å; V168-Y272 HydrophobicContact CG2-CE1 4.49Å; V168-Y272 HydrophobicContact CG2-CE2 4.43Å; V168-Y272 HydrophobicContact CG2-CG 3.63Å; V168-W279 HydrophobicContact CB-CZ3 3.91Å; V168-W279 HydrophobicContact CG1-CE3 4.11Å; V168-W279 HydrophobicContact CG1-CH2 4.06Å; V168-W279 HydrophobicContact CG1-CZ3 3.55Å |
| 169 | L | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 69 Ų | 69 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 174.2 | -174.4 | 68.1 | 0 | 0 | 0 | 111.8 | Y165 E166 N171 L172 W279 | Y165-L169 HydrophobicContact CE1-CD2 4.12Å; Y165-L169 WeakPolarHBondContact O-CB 3.37Å; Y165-L169 PolarHBondContact O-N 3.42Å; E166-L169 PolarHBondContact O-N 3.01Å; L169-N171 PolarHBondContact O-N 2.9Å; L169-L172 HydrophobicContact CD1-CD1 4.05Å; L169-L172 WeakPolarHBondContact O-CB 3.24Å; L169-L172 PolarHBondContact O-N 3Å; L169-L172 VanDerWaalsContact O-N 3.14Å; L169-W279 HydrophobicContact CB-CH2 4.27Å; L169-W279 HydrophobicContact CB-CZ3 4.33Å; L169-W279 HydrophobicContact CD1-CH2 3.99Å |
| 170 | E | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 59.6 Ų | 59.6 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60 | -32.4 | 174.3 | -172.1 | -172.9 | 170 | 0 | 0 | 111.9 | E166 L172 E173 S174 | E166-E170 PolarHBondContact O-N 2.58Å; E170-L172 VanDerWaalsContact C-N 3.27Å; E170-L172 PolarHBondContact O-N 2.93Å; E170-E173 PolarHBondContact O-N 3.43Å; E170-S174 WeakPolarHBondContact O-CB 3.47Å; E170-S174 PolarHBondContact O-N 3.4Å; E170-S174 PolarHBondContact O-OG 3.48Å |
| 171 | N | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -22.2 | 178.9 | -168.5 | 59.6 | 0 | 0 | 0 | 113.8 | Q167 V168 L169 E173 S174 K175 R176 F177 | Q167-N171 WeakPolarHBondContact O-CB 3.38Å; Q167-N171 PolarHBondContact O-N 3.15Å; Q167-N171 VanDerWaalsContact O-N 3.11Å; V168-N171 WeakPolarHBondContact O-CB 3.4Å; V168-N171 PolarHBondContact O-N 3.29Å; L169-N171 PolarHBondContact O-N 2.9Å; N171-E173 PolarHBondContact O-N 3.22Å; N171-S174 WeakPolarHBondContact CA-OG 3.45Å; N171-K175 WeakPolarHBondContact O-CA 3.28Å; N171-K175 PolarHBondContact O-N 3.44Å; N171-R176 PolarHBondContact OD1-N 3.23Å; N171-R176 VanDerWaalsContact OD1-N 3.08Å; N171-F177 PolarHBondContact ND2-O 3.38Å; N171-F177 WeakPolarHBondContact OD1-CD2 3.47Å; N171-F177 PolarHBondContact OD1-N 2.72Å |
| 172 | L | 97.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 174.9 | -62 | -174.4 | 0 | 0 | 0 | 112.1 | V168 L169 E170 I205 R206 W279 | V168-L172 PolarHBondContact O-N 3.25Å; L169-L172 HydrophobicContact CD1-CD1 4.05Å; L169-L172 WeakPolarHBondContact O-CB 3.24Å; L169-L172 PolarHBondContact O-N 3Å; L169-L172 VanDerWaalsContact O-N 3.14Å; E170-L172 VanDerWaalsContact C-N 3.27Å; E170-L172 PolarHBondContact O-N 2.93Å; L172-I205 HydrophobicContact CD2-CG2 3.7Å; L172-R206 WeakPolarHBondContact CD2-O 3.27Å; L172-W279 HydrophobicContact CD1-CH2 3.86Å; L172-W279 HydrophobicContact CD1-CZ2 3.82Å; L172-W279 HydrophobicContact CD2-CH2 4.4Å; L172-W279 HydrophobicContact CD2-CZ2 4.43Å; L172-W279 HydrophobicContact CG-CH2 4.16Å; L172-W279 HydrophobicContact CG-CZ2 4.43Å |
| 173 | E | 96.8 | Very high | 98.3 | Very high | 143 Ų | 143 | 54.5 Ų | 54.5 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -90.5 | -45.5 | -178.8 | -58.1 | -51 | 131.6 | 0 | 0 | 111.1 | E170 N171 R206 | E170-E173 PolarHBondContact O-N 3.43Å; N171-E173 PolarHBondContact O-N 3.22Å; E173-R206 IonicContact OE1-NH2 3.66Å; E173-R206 PolarHBondContact OE1-NH2 3.15Å |
| 174 | S | 97.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76.8 | -24.8 | -174.2 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | E170 N171 R176 | E170-S174 WeakPolarHBondContact O-CB 3.47Å; E170-S174 PolarHBondContact O-N 3.4Å; E170-S174 PolarHBondContact O-OG 3.48Å; N171-S174 WeakPolarHBondContact CA-OG 3.45Å; S174-R176 PolarHBondContact O-N 3.13Å |
| 175 | K | 96.9 | Very high | 98.2 | Very high | 172 Ų | 172 | 57.2 Ų | 57.2 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | trans | 49.9 | 30.5 | -179.4 | -57.6 | 179.6 | -177.6 | 175.8 | 0 | 114 | N171 F177 | N171-K175 WeakPolarHBondContact O-CA 3.28Å; N171-K175 PolarHBondContact O-N 3.44Å; K175-F177 VanDerWaalsContact C-N 3.34Å | ||
| 176 | R | 97.1 | Very high | 98.2 | Very high | 174 Ų | 174 | 56.5 Ų | 56.5 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | trans | -75.8 | -24.9 | -178.2 | -68.1 | 179.3 | -176.3 | -171.9 | 5.3 | 112.8 | N171 S174 | N171-R176 PolarHBondContact OD1-N 3.23Å; N171-R176 VanDerWaalsContact OD1-N 3.08Å; S174-R176 PolarHBondContact O-N 3.13Å | ||
| 177 | F | 98.3 | Very high | 98.2 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -119.8 | 140.8 | 179.4 | -59.9 | -98.7 | 0 | 0 | 0 | 110.3 | N171 K175 P243 I245 | N171-F177 PolarHBondContact ND2-O 3.38Å; N171-F177 WeakPolarHBondContact OD1-CD2 3.47Å; N171-F177 PolarHBondContact OD1-N 2.72Å; K175-F177 VanDerWaalsContact C-N 3.34Å; F177-P243 HydrophobicContact CB-CB 4.48Å; F177-P243 HydrophobicContact CD1-CB 3.26Å; F177-P243 HydrophobicContact CE1-CB 3.54Å; F177-P243 HydrophobicContact CG-CB 3.97Å; F177-P243 HydrophobicContact CZ-CB 4.43Å; F177-I245 HydrophobicContact CB-CD1 3.53Å; F177-I245 HydrophobicContact CB-CG1 3.76Å; F177-I245 HydrophobicContact CD1-CD1 3.92Å; F177-I245 HydrophobicContact CD1-CG1 3.76Å; F177-I245 HydrophobicContact CD2-CD1 4.06Å; F177-I245 HydrophobicContact CG-CD1 3.57Å; F177-I245 HydrophobicContact CG-CG1 3.87Å |
| 178 | Q | 98.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 138.9 | 162.7 | -61.1 | 167.1 | 100.5 | 0 | 0 | 108.8 | V238 D239 P243 L244 I245 | Q178-V238 VanDerWaalsContact OE1-CA 3.28Å; Q178-D239 PolarHBondContact NE2-O 2.78Å; Q178-P243 PolarHBondContact N-O 3.05Å; Q178-P243 PolarHBondContact NE2-O 2.98Å; Q178-L244 HydrophobicContact CB-CG 4.48Å; Q178-I245 PolarHBondContact O-N 3.24Å |
| 179 | L | 98.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.3 | 178.9 | -174.2 | 59.4 | 0 | 0 | 0 | 109.4 | V168 I205 S208 V209 I245 T247 | V168-L179 HydrophobicContact CG1-CD2 4.11Å; L179-I205 HydrophobicContact CD2-CB 3.92Å; L179-I205 HydrophobicContact CD2-CD1 4.13Å; L179-I205 HydrophobicContact CD2-CG2 3.67Å; L179-S208 WeakPolarHBondContact CD2-OG 3.33Å; L179-S208 WeakPolarHBondContact CG-OG 3.21Å; L179-S208 CarbonylContact O-C 3.57Å; L179-S208 VanDerWaalsContact O-CA 3.28Å; L179-S208 WeakPolarHBondContact O-CA 3.47Å; L179-V209 PolarHBondContact O-N 3.33Å; L179-I245 WeakPolarHBondContact CA-O 3.24Å; L179-I245 HydrophobicContact CD1-CB 3.91Å; L179-I245 HydrophobicContact CD1-CG2 3.71Å; L179-T247 HydrophobicContact CD1-CG2 3.85Å; L179-T247 HydrophobicContact CG-CG2 4.21Å |
| 180 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.9 | -177.8 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | V209 M211 V238 L244 I245 A246 T247 V257 | V180-V209 CarbonylContact C-O 3.57Å; V180-V209 WeakPolarHBondContact CA-O 3.33Å; V180-M211 HydrophobicContact CG1-CB 3.71Å; V180-M211 HydrophobicContact CG1-CG 3.68Å; V180-M211 HydrophobicContact CG1-SD 3.66Å; V180-M211 HydrophobicContact CG2-SD 4.34Å; V180-V238 HydrophobicContact CG2-CG1 4.08Å; V180-V238 HydrophobicContact CG2-CG2 3.92Å; V180-L244 HydrophobicContact CB-CD2 4.44Å; V180-L244 HydrophobicContact CG2-CD1 4.28Å; V180-L244 HydrophobicContact CG2-CD2 4.2Å; V180-L244 HydrophobicContact CG2-CG 4.23Å; V180-I245 PolarHBondContact N-O 3.08Å; V180-A246 CarbonylContact O-C 3.54Å; V180-A246 WeakPolarHBondContact O-CA 3.24Å; V180-T247 PolarHBondContact O-N 2.93Å; V180-V257 HydrophobicContact CB-CG1 4.19Å; V180-V257 HydrophobicContact CG1-CG1 3.89Å; V180-V257 HydrophobicContact CG1-CG2 3.96Å |
| 181 | D | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.4 | 177.3 | -165.6 | -47 | 0 | 0 | 0 | 111 | R183 F188 V209 N210 M211 T247 | D181-R183 WeakPolarHBondContact OD1-CB 3.4Å; D181-R183 WeakPolarHBondContact OD1-CG 2.86Å; D181-R183 IonicContact OD1-CZ 2.76Å; D181-R183 PolarHBondContact OD1-N 2.88Å; D181-R183 IonicContact OD1-NE 3.3Å; D181-R183 PolarHBondContact OD1-NE 3.03Å; D181-R183 IonicContact OD1-NH2 3.8Å; D181-R183 IonicContact OD2-CZ 3.3Å; D181-R183 IonicContact OD2-NE 2.64Å; D181-R183 PolarHBondContact OD2-NE 3.47Å; D181-R183 VanDerWaalsContact OD2-NE 3.11Å; D181-R183 IonicContact OD2-NH2 3.53Å; D181-R183 PolarHBondContact OD2-NH2 3.49Å; D181-F188 HydrophobicContact CB-CD2 3.69Å; D181-F188 HydrophobicContact CB-CE2 3.82Å; D181-V209 PolarHBondContact N-O 3.13Å; D181-N210 WeakPolarHBondContact O-CA 3.43Å; D181-N210 PolarHBondContact O-ND2 2.95Å; D181-M211 PolarHBondContact O-N 3.39Å; D181-T247 VanDerWaalsContact CA-O 3.28Å; D181-T247 WeakPolarHBondContact CA-O 3.45Å; D181-T247 HydrophobicContact CB-CG2 3.87Å |
| 182 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -98.2 | 10.1 | -175.6 | 74.3 | 0 | 0 | 0 | 0 | 116.5 | M211 F213 T247 C248 T253 A254 | S182-M211 WeakPolarHBondContact CA-O 3.5Å; S182-M211 WeakPolarHBondContact CB-O 3.43Å; S182-F213 PolarHBondContact O-N 2.67Å; S182-T247 PolarHBondContact N-O 3.33Å; S182-C248 WeakPolarHBondContact OG-CB 3.45Å; S182-T253 PolarHBondContact OG-O 3.34Å; S182-T253 PolarHBondContact OG-OG1 2.88Å; S182-A254 PolarHBondContact OG-N 3.28Å | ||
| 183 | R | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -64.9 | 163.5 | 170.1 | -68.4 | 177.8 | -69.9 | 153.8 | -0.6 | 111.4 | D181 R187 E194 G203 N210 C248 R249 W276 | D181-R183 WeakPolarHBondContact OD1-CB 3.4Å; D181-R183 WeakPolarHBondContact OD1-CG 2.86Å; D181-R183 IonicContact OD1-CZ 2.76Å; D181-R183 PolarHBondContact OD1-N 2.88Å; D181-R183 IonicContact OD1-NE 3.3Å; D181-R183 PolarHBondContact OD1-NE 3.03Å; D181-R183 IonicContact OD1-NH2 3.8Å; D181-R183 IonicContact OD2-CZ 3.3Å; D181-R183 IonicContact OD2-NE 2.64Å; D181-R183 PolarHBondContact OD2-NE 3.47Å; D181-R183 VanDerWaalsContact OD2-NE 3.11Å; D181-R183 IonicContact OD2-NH2 3.53Å; D181-R183 PolarHBondContact OD2-NH2 3.49Å; R183-R187 HydrophobicContact CB-CB 4.3Å; R183-E194 WeakPolarHBondContact CD-OE1 3.45Å; R183-E194 IonicContact CZ-OE1 3.94Å; R183-E194 IonicContact NH1-OE1 3.28Å; R183-E194 PolarHBondContact NH1-OE1 3.41Å; R183-G203 VanDerWaalsContact CZ-O 3.25Å; R183-G203 PolarHBondContact NH1-O 3.1Å; R183-G203 PolarHBondContact NH2-O 2.93Å; R183-N210 PolarHBondContact O-ND2 2.87Å; R183-C248 HydrophobicContact CG-CB 4.09Å; R183-R249 HydrophobicContact CG-CB 4.36Å; R183-W276 VanDerWaalsContact NH1-CD1 3.26Å; R183-W276 VanDerWaalsContact NH1-CG 3.29Å |
| 184 | S | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | trans | -55.8 | 152.6 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | G186 R187 F188 E192 | S184-G186 VanDerWaalsContact C-N 3.28Å; S184-G186 PolarHBondContact O-N 3.47Å; S184-R187 PolarHBondContact O-N 3.3Å; S184-R187 WeakPolarHBondContact OG-CD 3.36Å; S184-R187 WeakPolarHBondContact OG-CG 3.36Å; S184-R187 PolarHBondContact OG-N 2.89Å; S184-F188 WeakPolarHBondContact O-CB 3.5Å; S184-F188 PolarHBondContact O-N 3.23Å; S184-E192 PolarHBondContact OG-OE2 2.97Å | ||
| 185 | Q | 98.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 58% | 0.584 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | -179.1 | -172.9 | 179.1 | 31.9 | 0 | 0 | 111.8 | R187 F188 L189 N210 | Q185-R187 PolarHBondContact O-N 3.01Å; Q185-F188 PolarHBondContact O-N 3.15Å; Q185-L189 HydrophobicContact CG-CD1 3.76Å; Q185-L189 HydrophobicContact CG-CG 4.14Å; Q185-L189 WeakPolarHBondContact O-CB 3.42Å; Q185-L189 VanDerWaalsContact O-CG 3.31Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 2.88Å; Q185-N210 WeakPolarHBondContact CA-OD1 3.5Å |
| 186 | G | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S184 L189 G190 T191 E192 | S184-G186 VanDerWaalsContact C-N 3.28Å; S184-G186 PolarHBondContact O-N 3.47Å; G186-L189 PolarHBondContact O-N 2.94Å; G186-G190 PolarHBondContact O-N 3.36Å; G186-T191 VanDerWaalsContact CA-OG1 3.28Å; G186-T191 WeakPolarHBondContact CA-OG1 3.38Å; G186-T191 PolarHBondContact O-N 2.92Å; G186-T191 PolarHBondContact O-OG1 2.79Å; G186-E192 PolarHBondContact O-N 2.88Å; G186-E192 VanDerWaalsContact O-N 3.15Å |
| 187 | R | 98.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 175.7 | -73.7 | 169.2 | 57.2 | -163.4 | 9.9 | 113 | R183 S184 Q185 G190 E192 E194 S202 G203 R249 | R183-R187 HydrophobicContact CB-CB 4.3Å; S184-R187 PolarHBondContact O-N 3.3Å; S184-R187 WeakPolarHBondContact OG-CD 3.36Å; S184-R187 WeakPolarHBondContact OG-CG 3.36Å; S184-R187 PolarHBondContact OG-N 2.89Å; Q185-R187 PolarHBondContact O-N 3.01Å; R187-G190 PolarHBondContact O-N 3.36Å; R187-E192 HydrophobicContact CG-CB 4.14Å; R187-E194 IonicContact CZ-OE1 3.58Å; R187-E194 IonicContact CZ-OE2 2.7Å; R187-E194 IonicContact NE-OE1 2.86Å; R187-E194 PolarHBondContact NE-OE1 3.37Å; R187-E194 VanDerWaalsContact NE-OE1 3.16Å; R187-E194 IonicContact NE-OE2 3.81Å; R187-E194 PolarHBondContact NE-OE2 3.35Å; R187-E194 VanDerWaalsContact NE-OE2 3.16Å; R187-E194 IonicContact NH2-OE1 3.16Å; R187-E194 IonicContact NH2-OE2 3.16Å; R187-E194 PolarHBondContact NH2-OE2 3.19Å; R187-S202 WeakPolarHBondContact O-CB 3.39Å; R187-G203 PolarHBondContact O-N 3.24Å; R187-R249 VanDerWaalsContact NH2-CB 3.29Å |
| 188 | F | 98.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 175.3 | 175.7 | -88.9 | 0 | 0 | 0 | 111.9 | D181 S184 Q185 G190 G203 H204 S208 N210 | D181-F188 HydrophobicContact CB-CD2 3.69Å; D181-F188 HydrophobicContact CB-CE2 3.82Å; S184-F188 WeakPolarHBondContact O-CB 3.5Å; S184-F188 PolarHBondContact O-N 3.23Å; Q185-F188 PolarHBondContact O-N 3.15Å; F188-G190 VanDerWaalsContact C-N 3.28Å; F188-G190 PolarHBondContact O-N 3.28Å; F188-G203 CarbonylContact O-C 3.14Å; F188-G203 WeakPolarHBondContact O-CA 3.39Å; F188-H204 HydrophobicContact CD1-CB 4.39Å; F188-H204 AromaticContact CD1-ND1 3.95Å; F188-H204 HydrophobicContact CD2-CB 3.44Å; F188-H204 VanDerWaalsContact CD2-CB 3.44Å; F188-H204 AromaticContact CD2-CG 3.99Å; F188-H204 HydrophobicContact CE1-CB 4.25Å; F188-H204 AromaticContact CE1-CD2 3.9Å; F188-H204 AromaticContact CE1-CE1 3.83Å; F188-H204 AromaticContact CE1-CG 3.71Å; F188-H204 AromaticContact CE1-ND1 3.66Å; F188-H204 AromaticContact CE1-NE2 4Å; F188-H204 HydrophobicContact CE2-CB 3.3Å; F188-H204 AromaticContact CE2-CD2 3.83Å; F188-H204 AromaticContact CE2-CG 3.56Å; F188-H204 HydrophobicContact CG-CB 4.01Å; F188-H204 HydrophobicContact CZ-CB 3.73Å; F188-H204 AromaticContact CZ-CD2 3.36Å; F188-H204 WeakPolarHBondContact CZ-CD2 3.44Å; F188-H204 AromaticContact CZ-CG 3.39Å; F188-H204 AromaticContact CZ-ND1 3.85Å; F188-H204 AromaticContact CZ-NE2 3.86Å; F188-H204 WeakPolarHBondContact O-CB 3.43Å; F188-H204 PolarHBondContact O-N 3.25Å; F188-H204 PolarHBondContact O-ND1 3.32Å; F188-S208 WeakPolarHBondContact CZ-O 3.21Å; F188-N210 HydrophobicContact CB-CB 4.24Å; F188-N210 HydrophobicContact CD1-CB 3.6Å; F188-N210 HydrophobicContact CD2-CB 3.7Å; F188-N210 HydrophobicContact CE1-CB 3.79Å; F188-N210 HydrophobicContact CE2-CB 3.85Å; F188-N210 HydrophobicContact CG-CB 3.56Å; F188-N210 HydrophobicContact CZ-CB 3.91Å |
| 189 | L | 98.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.9 | -21 | 179.4 | -66.3 | 179.9 | 0 | 0 | 0 | 112.7 | Q185 G186 T191 Q291 | Q185-L189 HydrophobicContact CG-CD1 3.76Å; Q185-L189 HydrophobicContact CG-CG 4.14Å; Q185-L189 WeakPolarHBondContact O-CB 3.42Å; Q185-L189 VanDerWaalsContact O-CG 3.31Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 2.88Å; G186-L189 PolarHBondContact O-N 2.94Å; L189-T191 HydrophobicContact CB-CG2 4.31Å; L189-Q291 WeakPolarHBondContact O-CB 3.48Å; L189-Q291 PolarHBondContact O-N 3.46Å |
| 190 | G | 97.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 21.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G186 R187 F188 S202 S290 | G186-G190 PolarHBondContact O-N 3.36Å; R187-G190 PolarHBondContact O-N 3.36Å; F188-G190 VanDerWaalsContact C-N 3.28Å; F188-G190 PolarHBondContact O-N 3.28Å; G190-S202 WeakPolarHBondContact CA-OG 3.28Å; G190-S290 WeakPolarHBondContact CA-OG 2.96Å |
| 191 | T | 97.1 | Very high | 95 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -95.8 | -16.6 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | G186 L189 Q291 | G186-T191 VanDerWaalsContact CA-OG1 3.28Å; G186-T191 WeakPolarHBondContact CA-OG1 3.38Å; G186-T191 PolarHBondContact O-N 2.92Å; G186-T191 PolarHBondContact O-OG1 2.79Å; L189-T191 HydrophobicContact CB-CG2 4.31Å; T191-Q291 HydrophobicContact CG2-CB 4.28Å |
| 192 | E | 96.1 | Very high | 94.9 | Very high | 95 Ų | 95 | 51.4 Ų | 51.4 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -117.2 | 144.5 | 170.6 | -68.2 | 173.4 | 168.6 | 0 | 0 | 110 | S184 G186 R187 S202 | S184-E192 PolarHBondContact OG-OE2 2.97Å; G186-E192 PolarHBondContact O-N 2.88Å; G186-E192 VanDerWaalsContact O-N 3.15Å; R187-E192 HydrophobicContact CG-CB 4.14Å; E192-S202 WeakPolarHBondContact O-CB 3.23Å; E192-S202 PolarHBondContact O-OG 2.94Å |
| 193 | P | 95.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 158.3 | 178.2 | 30.8 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 194 | E | 96.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 125.1 | 168.7 | -80.3 | -62 | 151.8 | 0 | 0 | 110 | R183 R187 L200 R249 | R183-E194 WeakPolarHBondContact CD-OE1 3.45Å; R183-E194 IonicContact CZ-OE1 3.94Å; R183-E194 IonicContact NH1-OE1 3.28Å; R183-E194 PolarHBondContact NH1-OE1 3.41Å; R187-E194 IonicContact CZ-OE1 3.58Å; R187-E194 IonicContact CZ-OE2 2.7Å; R187-E194 IonicContact NE-OE1 2.86Å; R187-E194 PolarHBondContact NE-OE1 3.37Å; R187-E194 VanDerWaalsContact NE-OE1 3.16Å; R187-E194 IonicContact NE-OE2 3.81Å; R187-E194 PolarHBondContact NE-OE2 3.35Å; R187-E194 VanDerWaalsContact NE-OE2 3.16Å; R187-E194 IonicContact NH2-OE1 3.16Å; R187-E194 IonicContact NH2-OE2 3.16Å; R187-E194 PolarHBondContact NH2-OE2 3.19Å; E194-L200 HydrophobicContact CB-CD2 4Å; E194-L200 HydrophobicContact CB-CG 4.1Å; E194-L200 HydrophobicContact CG-CD2 4.16Å; E194-L200 HydrophobicContact CG-CG 4.14Å; E194-R249 VanDerWaalsContact OE2-CD 3.3Å; E194-R249 WeakPolarHBondContact OE2-CD 3.37Å; E194-R249 IonicContact OE2-CZ 3.49Å; E194-R249 IonicContact OE2-NE 3.26Å; E194-R249 IonicContact OE2-NH1 2.74Å; E194-R249 PolarHBondContact OE2-NH1 2.99Å |
| 195 | P | 91.5 | Very high | 94.9 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 158.3 | -178.3 | 29.5 | -35.5 | 0 | 0 | 0 | 111.7 | A197 R249 | P195-A197 PolarHBondContact O-N 3.37Å; P195-A197 VanDerWaalsContact O-N 3.13Å; P195-R249 PolarHBondContact O-NH1 3.3Å; P195-R249 PolarHBondContact O-NH2 3.43Å; P195-R249 VanDerWaalsContact O-NH2 3.12Å |
| 196 | D | 87.1 | Confident | 94.9 | Very high | 102 Ų | 102 | 50 Ų | 50 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.4 | 172.8 | -50.7 | -38.5 | 0 | 0 | 0 | 113.8 | S38 | S38-D196 WeakPolarHBondContact CB-OD2 3.29Å; S38-D196 PolarHBondContact OG-OD2 3.41Å |
| 197 | A | 85.2 | Confident | 94.8 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | trans | -139.2 | 142.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P195 L200 | P195-A197 PolarHBondContact O-N 3.37Å; P195-A197 VanDerWaalsContact O-N 3.13Å; A197-L200 HydrophobicContact CB-CB 3.61Å; A197-L200 HydrophobicContact CB-CD2 3.76Å; A197-L200 HydrophobicContact CB-CG 4.29Å | ||
| 198 | V | 84.3 | Confident | 94.8 | Very high | 147 Ų | 147 | 51.2 Ų | 51.2 | 89% | 0.891 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -107.1 | 126.9 | 169.3 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | L200 | V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 2.81Å |
| 199 | G | 87.9 | Confident | 94.8 | Very high | 67 Ų | 67 | 53 Ų | 53 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 68.8 | 28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F280 | G199-F280 VanDerWaalsContact O-CE1 3.23Å; G199-F280 WeakPolarHBondContact O-CE1 3.18Å |
| 200 | L | 94.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | trans | -115 | 101 | 174.6 | 179.9 | 64.3 | 0 | 0 | 0 | 109.2 | E194 A197 V198 R249 F280 | E194-L200 HydrophobicContact CB-CD2 4Å; E194-L200 HydrophobicContact CB-CG 4.1Å; E194-L200 HydrophobicContact CG-CD2 4.16Å; E194-L200 HydrophobicContact CG-CG 4.14Å; A197-L200 HydrophobicContact CB-CB 3.61Å; A197-L200 HydrophobicContact CB-CD2 3.76Å; A197-L200 HydrophobicContact CB-CG 4.29Å; V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 2.81Å; L200-R249 VanDerWaalsContact CD2-NE 3.27Å; L200-F280 HydrophobicContact CD1-CB 3.46Å; L200-F280 VanDerWaalsContact CD1-CB 3.46Å; L200-F280 HydrophobicContact CD1-CD1 3.47Å; L200-F280 VanDerWaalsContact CD1-CD1 3.47Å; L200-F280 HydrophobicContact CD1-CD2 4.35Å; L200-F280 HydrophobicContact CD1-CE1 4.31Å; L200-F280 HydrophobicContact CD1-CG 3.49Å; L200-F280 VanDerWaalsContact CD1-CG 3.49Å | ||
| 201 | D | 95.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -72.5 | 149.9 | 177.1 | -54 | -30.8 | 0 | 0 | 0 | 110.6 | W276 F280 K293 | D201-W276 WeakPolarHBondContact O-CZ2 3.45Å; D201-W276 PolarHBondContact O-NE1 3.16Å; D201-F280 HydrophobicContact CB-CD2 4.46Å; D201-F280 HydrophobicContact CB-CE2 3.55Å; D201-F280 HydrophobicContact CB-CZ 3.85Å; D201-K293 WeakPolarHBondContact OD2-CE 3.11Å; D201-K293 IonicContact OD2-NZ 2.88Å; D201-K293 PolarHBondContact OD2-NZ 2.77Å | ||
| 202 | S | 97.2 | Very high | 95 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | trans | -80.8 | 169.2 | 168.9 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | R187 G190 E192 S290 | R187-S202 WeakPolarHBondContact O-CB 3.39Å; G190-S202 WeakPolarHBondContact CA-OG 3.28Å; E192-S202 WeakPolarHBondContact O-CB 3.23Å; E192-S202 PolarHBondContact O-OG 2.94Å; S202-S290 WeakPolarHBondContact O-CB 3.47Å; S202-S290 PolarHBondContact O-OG 3.15Å | ||
| 203 | G | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 130.5 | -172.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R183 R187 F188 V289 | R183-G203 VanDerWaalsContact CZ-O 3.25Å; R183-G203 PolarHBondContact NH1-O 3.1Å; R183-G203 PolarHBondContact NH2-O 2.93Å; R187-G203 PolarHBondContact O-N 3.24Å; F188-G203 CarbonylContact O-C 3.14Å; F188-G203 WeakPolarHBondContact O-CA 3.39Å; G203-V289 CarbonylContact C-O 3.48Å; G203-V289 WeakPolarHBondContact CA-O 3.38Å | ||
| 204 | H | 98.7 | Very high | 95.3 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.2 | -176 | 62.4 | -80.3 | 0 | 0 | 0 | 113.2 | F188 R288 V289 | F188-H204 HydrophobicContact CD1-CB 4.39Å; F188-H204 AromaticContact CD1-ND1 3.95Å; F188-H204 HydrophobicContact CD2-CB 3.44Å; F188-H204 VanDerWaalsContact CD2-CB 3.44Å; F188-H204 AromaticContact CD2-CG 3.99Å; F188-H204 HydrophobicContact CE1-CB 4.25Å; F188-H204 AromaticContact CE1-CD2 3.9Å; F188-H204 AromaticContact CE1-CE1 3.83Å; F188-H204 AromaticContact CE1-CG 3.71Å; F188-H204 AromaticContact CE1-ND1 3.66Å; F188-H204 AromaticContact CE1-NE2 4Å; F188-H204 HydrophobicContact CE2-CB 3.3Å; F188-H204 AromaticContact CE2-CD2 3.83Å; F188-H204 AromaticContact CE2-CG 3.56Å; F188-H204 HydrophobicContact CG-CB 4.01Å; F188-H204 HydrophobicContact CZ-CB 3.73Å; F188-H204 AromaticContact CZ-CD2 3.36Å; F188-H204 WeakPolarHBondContact CZ-CD2 3.44Å; F188-H204 AromaticContact CZ-CG 3.39Å; F188-H204 AromaticContact CZ-ND1 3.85Å; F188-H204 AromaticContact CZ-NE2 3.86Å; F188-H204 WeakPolarHBondContact O-CB 3.43Å; F188-H204 PolarHBondContact O-N 3.25Å; F188-H204 PolarHBondContact O-ND1 3.32Å; H204-R288 WeakPolarHBondContact O-CA 3.35Å; H204-V289 PolarHBondContact N-O 3Å; H204-V289 PolarHBondContact ND1-O 3.31Å; H204-V289 PolarHBondContact O-N 2.92Å |
| 205 | I | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 129.4 | 172.1 | -54.4 | -178.6 | 0 | 0 | 0 | 108.2 | V168 L172 L179 G207 S208 Y272 W276 W279 | V168-I205 HydrophobicContact CG1-CD1 4.19Å; L172-I205 HydrophobicContact CD2-CG2 3.7Å; L179-I205 HydrophobicContact CD2-CB 3.92Å; L179-I205 HydrophobicContact CD2-CD1 4.13Å; L179-I205 HydrophobicContact CD2-CG2 3.67Å; I205-G207 PolarHBondContact O-N 3.21Å; I205-S208 VanDerWaalsContact O-CB 3.29Å; I205-S208 WeakPolarHBondContact O-CB 3.49Å; I205-S208 PolarHBondContact O-N 3.11Å; I205-S208 PolarHBondContact O-OG 3.28Å; I205-Y272 HydrophobicContact CD1-CD1 4.32Å; I205-Y272 HydrophobicContact CD1-CE1 4.11Å; I205-W276 HydrophobicContact CG1-CE3 4.09Å; I205-W276 HydrophobicContact CG1-CZ3 4.13Å; I205-W279 HydrophobicContact CD1-CB 4.18Å; I205-W279 HydrophobicContact CD1-CD2 3.59Å; I205-W279 HydrophobicContact CD1-CE3 3.9Å; I205-W279 HydrophobicContact CD1-CG 3.73Å; I205-W279 HydrophobicContact CG1-CB 4.45Å; I205-W279 HydrophobicContact CG1-CD2 3.8Å; I205-W279 HydrophobicContact CG1-CG 3.72Å; I205-W279 HydrophobicContact CG1-CZ2 4.43Å; I205-W279 HydrophobicContact CG2-CD2 4.43Å; I205-W279 HydrophobicContact CG2-CH2 4.08Å; I205-W279 HydrophobicContact CG2-CZ2 3.56Å |
| 206 | R | 98 | Very high | 95.7 | Very high | 99 Ų | 99 | 43 Ų | 43 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 128.3 | -179.5 | -174.8 | 177.4 | 68.7 | -142 | 7.2 | 110.9 | L172 E173 E286 S287 V289 | L172-R206 WeakPolarHBondContact CD2-O 3.27Å; E173-R206 IonicContact OE1-NH2 3.66Å; E173-R206 PolarHBondContact OE1-NH2 3.15Å; R206-E286 PolarHBondContact NH1-O 3.36Å; R206-S287 PolarHBondContact N-O 3.03Å; R206-V289 HydrophobicContact CB-CG2 4.11Å; R206-V289 HydrophobicContact CG-CG2 4.27Å |
| 207 | G | 97.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 69% | 0.691 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I205 | I205-G207 PolarHBondContact O-N 3.21Š|
| 208 | S | 98.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | trans | -68.6 | 150.9 | 173.5 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | L179 F188 I205 | L179-S208 WeakPolarHBondContact CD2-OG 3.33Å; L179-S208 WeakPolarHBondContact CG-OG 3.21Å; L179-S208 CarbonylContact O-C 3.57Å; L179-S208 VanDerWaalsContact O-CA 3.28Å; L179-S208 WeakPolarHBondContact O-CA 3.47Å; F188-S208 WeakPolarHBondContact CZ-O 3.21Å; I205-S208 VanDerWaalsContact O-CB 3.29Å; I205-S208 WeakPolarHBondContact O-CB 3.49Å; I205-S208 PolarHBondContact O-N 3.11Å; I205-S208 PolarHBondContact O-OG 3.28Å | ||
| 209 | V | 98.8 | Very high | 97.6 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.9 | 167.9 | 177 | 0 | 0 | 0 | 0 | 109.2 | L179 V180 D181 M211 K236 V238 | L179-V209 PolarHBondContact O-N 3.33Å; V180-V209 CarbonylContact C-O 3.57Å; V180-V209 WeakPolarHBondContact CA-O 3.33Å; D181-V209 PolarHBondContact N-O 3.13Å; V209-M211 HydrophobicContact CG1-CG 4.46Å; V209-K236 HydrophobicContact CG1-CB 4.11Å; V209-V238 HydrophobicContact CB-CG2 4.37Å; V209-V238 HydrophobicContact CG1-CG2 4.06Å |
| 210 | N | 98.9 | Very high | 98 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.9 | 178.2 | -176.6 | -129.3 | 0 | 0 | 0 | 112.9 | D181 R183 Q185 F188 K236 | D181-N210 WeakPolarHBondContact O-CA 3.43Å; D181-N210 PolarHBondContact O-ND2 2.95Å; R183-N210 PolarHBondContact O-ND2 2.87Å; Q185-N210 WeakPolarHBondContact CA-OD1 3.5Å; F188-N210 HydrophobicContact CB-CB 4.24Å; F188-N210 HydrophobicContact CD1-CB 3.6Å; F188-N210 HydrophobicContact CD2-CB 3.7Å; F188-N210 HydrophobicContact CE1-CB 3.79Å; F188-N210 HydrophobicContact CE2-CB 3.85Å; F188-N210 HydrophobicContact CG-CB 3.56Å; F188-N210 HydrophobicContact CZ-CB 3.91Å; N210-K236 PolarHBondContact O-NZ 3.05Å |
| 211 | M | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -132.4 | 83 | 173.6 | -62.5 | -173.9 | 71.6 | 0 | 0 | 109.4 | V180 D181 S182 V209 F213 F216 L232 F233 K236 V238 | V180-M211 HydrophobicContact CG1-CB 3.71Å; V180-M211 HydrophobicContact CG1-CG 3.68Å; V180-M211 HydrophobicContact CG1-SD 3.66Å; V180-M211 HydrophobicContact CG2-SD 4.34Å; D181-M211 PolarHBondContact O-N 3.39Å; S182-M211 WeakPolarHBondContact CA-O 3.5Å; S182-M211 WeakPolarHBondContact CB-O 3.43Å; V209-M211 HydrophobicContact CG1-CG 4.46Å; M211-F213 PolarHBondContact O-N 3.21Å; M211-F216 HydrophobicContact CB-CZ 3.98Å; M211-F216 HydrophobicContact CE-CE1 3.77Å; M211-F216 HydrophobicContact CE-CZ 3.92Å; M211-L232 HydrophobicContact CE-CD2 4.18Å; M211-L232 HydrophobicContact CE-CG 3.78Å; M211-F233 HydrophobicContact CE-CD1 3.53Å; M211-F233 HydrophobicContact CE-CE1 3.76Å; M211-F233 HydrophobicContact CE-CG 4Å; M211-F233 HydrophobicContact CE-CZ 4.4Å; M211-F233 HydrophobicContact SD-CD1 3.7Å; M211-F233 HydrophobicContact SD-CE1 3.81Å; M211-K236 HydrophobicContact CE-CB 4.38Å; M211-K236 HydrophobicContact CE-CG 4.17Å; M211-K236 HydrophobicContact CG-CB 4.14Å; M211-K236 HydrophobicContact CG-CD 4.31Å; M211-K236 HydrophobicContact CG-CG 3.91Å; M211-K236 HydrophobicContact SD-CB 4.15Å; M211-K236 HydrophobicContact SD-CG 4.33Å; M211-V238 HydrophobicContact SD-CG2 3.96Å | ||
| 212 | P | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -50.4 | 129.6 | -179 | -27.3 | 35.5 | 0 | 0 | 0 | 111.8 | M214 D215 | P212-M214 PolarHBondContact O-N 3.16Å; P212-M214 VanDerWaalsContact O-N 3.08Å; P212-D215 WeakPolarHBondContact O-CB 3.35Å; P212-D215 PolarHBondContact O-N 2.73Å | ||
| 213 | F | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.7 | -29.4 | -171.1 | 82.3 | -82.6 | 0 | 0 | 0 | 113.7 | L104 F107 S182 M211 D215 F216 T253 H256 | L104-F213 HydrophobicContact CD2-CE2 4.24Å; F107-F213 HydrophobicContact CD2-CE1 4.33Å; F107-F213 AromaticContact CD2-CE2 3.88Å; F107-F213 HydrophobicContact CD2-CE2 3.88Å; F107-F213 AromaticContact CD2-CZ 3.51Å; F107-F213 HydrophobicContact CD2-CZ 3.51Å; F107-F213 AromaticContact CE2-CE1 3.95Å; F107-F213 HydrophobicContact CE2-CE1 3.95Å; F107-F213 HydrophobicContact CE2-CE2 4.32Å; F107-F213 AromaticContact CE2-CZ 3.56Å; F107-F213 HydrophobicContact CE2-CZ 3.56Å; S182-F213 PolarHBondContact O-N 2.67Å; M211-F213 PolarHBondContact O-N 3.21Å; F213-D215 PolarHBondContact O-N 3.22Å; F213-F216 HydrophobicContact CB-CD2 4.4Å; F213-F216 WeakPolarHBondContact O-CB 3.5Å; F213-F216 VanDerWaalsContact O-CD2 3.24Å; F213-F216 WeakPolarHBondContact O-CD2 3.43Å; F213-F216 PolarHBondContact O-N 2.74Å; F213-F216 VanDerWaalsContact O-N 3.13Å; F213-T253 HydrophobicContact CD1-CG2 3.82Å; F213-T253 HydrophobicContact CD2-CG2 4.45Å; F213-T253 HydrophobicContact CE1-CG2 4.07Å; F213-T253 HydrophobicContact CG-CG2 4.02Å; F213-T253 HydrophobicContact CZ-CG2 4.49Å; F213-H256 HydrophobicContact CB-CB 3.99Å; F213-H256 AromaticContact CD2-CD2 3.83Å; F213-H256 AromaticContact CD2-CE1 3.86Å; F213-H256 AromaticContact CD2-NE2 3.67Å |
| 214 | M | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -61.7 | -27.2 | 179.1 | -58.6 | -174.3 | -78 | 0 | 0 | 111.9 | L104 P212 F216 L217 | L104-M214 HydrophobicContact CD2-CB 3.69Å; L104-M214 HydrophobicContact CD2-CG 3.52Å; L104-M214 HydrophobicContact CD2-SD 4.25Å; P212-M214 PolarHBondContact O-N 3.16Å; P212-M214 VanDerWaalsContact O-N 3.08Å; M214-F216 PolarHBondContact O-N 3.1Å; M214-L217 PolarHBondContact O-N 2.88Å; M214-L217 VanDerWaalsContact O-N 3.13Å |
| 215 | D | 98.6 | Very high | 98.5 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -70.8 | -12.6 | 179.7 | -62.3 | -16.2 | 0 | 0 | 0 | 112.8 | P212 F213 L217 K224 L232 | P212-D215 WeakPolarHBondContact O-CB 3.35Å; P212-D215 PolarHBondContact O-N 2.73Å; F213-D215 PolarHBondContact O-N 3.22Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-K224 WeakPolarHBondContact O-CD 3.47Å; D215-K224 WeakPolarHBondContact O-CE 3.31Å; D215-K224 PolarHBondContact O-NZ 3.2Å; D215-L232 HydrophobicContact CB-CD2 4.04Å |
| 216 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -82.6 | -14.7 | 174.1 | -57.6 | -59.6 | 0 | 0 | 0 | 112.9 | M211 F213 M214 K224 L229 L232 F233 H256 V257 A260 | M211-F216 HydrophobicContact CB-CZ 3.98Å; M211-F216 HydrophobicContact CE-CE1 3.77Å; M211-F216 HydrophobicContact CE-CZ 3.92Å; F213-F216 HydrophobicContact CB-CD2 4.4Å; F213-F216 WeakPolarHBondContact O-CB 3.5Å; F213-F216 VanDerWaalsContact O-CD2 3.24Å; F213-F216 WeakPolarHBondContact O-CD2 3.43Å; F213-F216 PolarHBondContact O-N 2.74Å; F213-F216 VanDerWaalsContact O-N 3.13Å; M214-F216 PolarHBondContact O-N 3.1Å; F216-K224 WeakPolarHBondContact O-CB 3.41Å; F216-K224 WeakPolarHBondContact O-CG 3.18Å; F216-K224 PolarHBondContact O-N 2.9Å; F216-L229 HydrophobicContact CB-CD2 4.09Å; F216-L229 HydrophobicContact CD1-CD2 3.73Å; F216-L229 HydrophobicContact CG-CD2 4.38Å; F216-L232 HydrophobicContact CD1-CD2 3.52Å; F216-L232 HydrophobicContact CE1-CD2 3.52Å; F216-L232 HydrophobicContact CE1-CG 4.47Å; F216-L232 HydrophobicContact CG-CD2 4.5Å; F216-L232 HydrophobicContact CZ-CD2 4.48Å; F216-F233 HydrophobicContact CE1-CZ 4.31Å; F216-H256 HydrophobicContact CD2-CB 3.9Å; F216-H256 HydrophobicContact CE2-CB 4.38Å; F216-V257 HydrophobicContact CE2-CB 4.5Å; F216-V257 HydrophobicContact CE2-CG2 3.81Å; F216-V257 HydrophobicContact CZ-CB 4.47Å; F216-V257 HydrophobicContact CZ-CG2 3.97Å; F216-A260 HydrophobicContact CD1-CB 3.68Å; F216-A260 HydrophobicContact CE1-CB 3.9Å; F216-A260 HydrophobicContact CG-CB 4.12Å |
| 217 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 153 | -178.4 | -57.4 | 174.8 | 0 | 0 | 0 | 110.4 | L104 M214 D215 F222 E223 K224 | L104-L217 HydrophobicContact CB-CD1 4.43Å; L104-L217 HydrophobicContact CD2-CD1 3.71Å; L104-L217 HydrophobicContact CG-CB 4.37Å; L104-L217 HydrophobicContact CG-CD1 3.67Å; M214-L217 PolarHBondContact O-N 2.88Å; M214-L217 VanDerWaalsContact O-N 3.13Å; D215-L217 VanDerWaalsContact C-N 3.34Å; L217-F222 CarbonylContact C-O 3.59Å; L217-F222 WeakPolarHBondContact CA-O 3.36Å; L217-E223 WeakPolarHBondContact CD2-OE2 3.33Å; L217-K224 WeakPolarHBondContact O-CE 3.28Å |
| 218 | T | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | trans | -81.6 | 166.1 | 167 | 68.9 | 0 | 0 | 0 | 0 | 110.1 | D220 G221 F222 K224 | T218-D220 PolarHBondContact O-N 2.94Å; T218-G221 WeakPolarHBondContact O-CA 3.07Å; T218-G221 PolarHBondContact O-N 2.87Å; T218-F222 PolarHBondContact N-O 2.93Å; T218-F222 PolarHBondContact OG1-N 2.86Å; T218-F222 PolarHBondContact OG1-O 3.13Å; T218-K224 HydrophobicContact CG2-CG 3.95Å | ||
| 219 | E | 97.3 | Very high | 98.6 | Very high | 181 Ų | 181 | 48.9 Ų | 48.9 | 85% | 0.846 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.8 | 176.4 | -61.1 | 179 | 178.3 | 0 | 0 | 112.7 | R132 G221 | R132-E219 PolarHBondContact NH1-O 3.35Å; R132-E219 PolarHBondContact NH2-O 3.43Å; E219-G221 PolarHBondContact O-N 2.77Å |
| 220 | D | 98 | Very high | 98.6 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -7.1 | 173.7 | -78.7 | -55.4 | 0 | 0 | 0 | 113.6 | N133 K136 T218 F222 | N133-D220 PolarHBondContact ND2-O 2.85Å; K136-D220 IonicContact NZ-OD1 3.05Å; K136-D220 PolarHBondContact NZ-OD1 3.35Å; K136-D220 VanDerWaalsContact NZ-OD1 3.15Å; T218-D220 PolarHBondContact O-N 2.94Å; D220-F222 HydrophobicContact CB-CD2 3.77Å; D220-F222 HydrophobicContact CB-CE2 4.05Å |
| 221 | G | 98 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 82.1 | 19.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L104 G129 T218 E219 | L104-G221 WeakPolarHBondContact O-CA 3.21Å; G129-G221 WeakPolarHBondContact CA-O 3.32Å; T218-G221 WeakPolarHBondContact O-CA 3.07Å; T218-G221 PolarHBondContact O-N 2.87Å; E219-G221 PolarHBondContact O-N 2.77Å |
| 222 | F | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 26% | 0.263 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 153.9 | 168.5 | -63.9 | -76.3 | 0 | 0 | 0 | 110.2 | N128 N133 L217 T218 D220 | N128-F222 WeakPolarHBondContact OD1-CA 3.31Å; N133-F222 HydrophobicContact CB-CE1 4.13Å; N133-F222 HydrophobicContact CB-CZ 3.84Å; N133-F222 VanDerWaalsContact CG-CZ 3.47Å; L217-F222 CarbonylContact C-O 3.59Å; L217-F222 WeakPolarHBondContact CA-O 3.36Å; T218-F222 PolarHBondContact N-O 2.93Å; T218-F222 PolarHBondContact OG1-N 2.86Å; T218-F222 PolarHBondContact OG1-O 3.13Å; D220-F222 HydrophobicContact CB-CD2 3.77Å; D220-F222 HydrophobicContact CB-CE2 4.05Å |
| 223 | E | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 138.2 | 167.7 | -161.7 | 77.3 | -162.9 | 0 | 0 | 110 | L10 N128 L217 L229 L263 | L10-E223 HydrophobicContact CD1-CB 3.8Å; L10-E223 HydrophobicContact CD1-CG 4.12Å; N128-E223 PolarHBondContact OD1-N 3.46Å; L217-E223 WeakPolarHBondContact CD2-OE2 3.33Å; E223-L229 HydrophobicContact CG-CD1 4.27Å; E223-L263 HydrophobicContact CG-CD1 3.62Å |
| 224 | K | 98.9 | Very high | 98.6 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 158.1 | 170.2 | -76.5 | 179.9 | 179.1 | 173.8 | 0 | 111.4 | D215 F216 L217 T218 E228 L229 | D215-K224 WeakPolarHBondContact O-CD 3.47Å; D215-K224 WeakPolarHBondContact O-CE 3.31Å; D215-K224 PolarHBondContact O-NZ 3.2Å; F216-K224 WeakPolarHBondContact O-CB 3.41Å; F216-K224 WeakPolarHBondContact O-CG 3.18Å; F216-K224 PolarHBondContact O-N 2.9Å; L217-K224 WeakPolarHBondContact O-CE 3.28Å; T218-K224 HydrophobicContact CG2-CG 3.95Å; K224-E228 HydrophobicContact CB-CB 4.02Å; K224-E228 HydrophobicContact CD-CB 4.28Å; K224-L229 HydrophobicContact CB-CD2 3.92Å; K224-L229 HydrophobicContact CB-CG 4.06Å |
| 225 | S | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.3 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | E227 E228 L229 | S225-E227 PolarHBondContact O-N 3.47Å; S225-E227 VanDerWaalsContact O-N 3.08Å; S225-E228 VanDerWaalsContact CB-OE2 3.29Å; S225-E228 WeakPolarHBondContact CB-OE2 3.28Å; S225-E228 PolarHBondContact N-OE2 2.8Å; S225-E228 PolarHBondContact O-N 3.12Å; S225-E228 VanDerWaalsContact O-N 3.13Å; S225-E228 WeakPolarHBondContact OG-CG 3.49Å; S225-E228 PolarHBondContact OG-N 2.85Å; S225-E228 PolarHBondContact OG-OE2 2.84Å; S225-L229 VanDerWaalsContact O-CG 3.3Å; S225-L229 WeakPolarHBondContact O-CG 3.42Å; S225-L229 PolarHBondContact O-N 3.36Å |
| 226 | A | 98.3 | Very high | 98.6 | Very high | 33 Ų | 33 | 61 Ų | 61 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.4 | -25.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R230 | A226-R230 WeakPolarHBondContact O-CB 3.19Å; A226-R230 VanDerWaalsContact O-CG 3.27Å; A226-R230 WeakPolarHBondContact O-CG 3.41Å; A226-R230 PolarHBondContact O-N 3.04Å; A226-R230 VanDerWaalsContact O-N 3.12Å; A226-R230 PolarHBondContact O-NE 2.99Å |
| 227 | E | 98.6 | Very high | 98.5 | Very high | 146 Ų | 146 | 70.1 Ų | 70.1 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.2 | -50.8 | 174.3 | -177.2 | 174.1 | 177.7 | 0 | 0 | 111.9 | S225 L229 R230 A231 | S225-E227 PolarHBondContact O-N 3.47Å; S225-E227 VanDerWaalsContact O-N 3.08Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 3.18Å; E227-R230 PolarHBondContact O-N 2.96Å; E227-A231 PolarHBondContact O-N 3.35Å |
| 228 | E | 98.8 | Very high | 98.5 | Very high | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.6 | -69.1 | 164.6 | 118.3 | 0 | 0 | 111.8 | K224 S225 A231 L232 | K224-E228 HydrophobicContact CB-CB 4.02Å; K224-E228 HydrophobicContact CD-CB 4.28Å; S225-E228 VanDerWaalsContact CB-OE2 3.29Å; S225-E228 WeakPolarHBondContact CB-OE2 3.28Å; S225-E228 PolarHBondContact N-OE2 2.8Å; S225-E228 PolarHBondContact O-N 3.12Å; S225-E228 VanDerWaalsContact O-N 3.13Å; S225-E228 WeakPolarHBondContact OG-CG 3.49Å; S225-E228 PolarHBondContact OG-N 2.85Å; S225-E228 PolarHBondContact OG-OE2 2.84Å; E228-A231 PolarHBondContact O-N 2.91Å; E228-L232 WeakPolarHBondContact O-CB 3.43Å; E228-L232 PolarHBondContact O-N 3Å |
| 229 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.7 | -66.4 | 174.6 | 0 | 0 | 0 | 111.4 | F216 E223 K224 S225 E227 A231 L232 F233 A260 L263 C264 | F216-L229 HydrophobicContact CB-CD2 4.09Å; F216-L229 HydrophobicContact CD1-CD2 3.73Å; F216-L229 HydrophobicContact CG-CD2 4.38Å; E223-L229 HydrophobicContact CG-CD1 4.27Å; K224-L229 HydrophobicContact CB-CD2 3.92Å; K224-L229 HydrophobicContact CB-CG 4.06Å; S225-L229 VanDerWaalsContact O-CG 3.3Å; S225-L229 WeakPolarHBondContact O-CG 3.42Å; S225-L229 PolarHBondContact O-N 3.36Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 3.18Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.2Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.03Å; L229-F233 WeakPolarHBondContact O-CD2 3.44Å; L229-F233 PolarHBondContact O-N 3.29Å; L229-F233 VanDerWaalsContact O-N 3.09Å; L229-A260 HydrophobicContact CD1-CB 4.23Å; L229-A260 HydrophobicContact CD2-CB 3.94Å; L229-L263 HydrophobicContact CD1-CB 4.14Å; L229-L263 HydrophobicContact CD1-CD1 4.05Å; L229-C264 VanDerWaalsContact CB-SG 3.59Å |
| 230 | R | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 64.5 Ų | 64.5 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.3 | -81.3 | -176.8 | -112.7 | 112.8 | -2 | 111.4 | A226 E227 L232 F233 Q234 C264 | A226-R230 WeakPolarHBondContact O-CB 3.19Å; A226-R230 VanDerWaalsContact O-CG 3.27Å; A226-R230 WeakPolarHBondContact O-CG 3.41Å; A226-R230 PolarHBondContact O-N 3.04Å; A226-R230 VanDerWaalsContact O-N 3.12Å; A226-R230 PolarHBondContact O-NE 2.99Å; E227-R230 PolarHBondContact O-N 2.96Å; R230-L232 VanDerWaalsContact C-N 3.32Å; R230-L232 PolarHBondContact O-N 2.73Å; R230-F233 PolarHBondContact O-N 3.25Å; R230-Q234 VanDerWaalsContact O-CG 3.31Å; R230-Q234 WeakPolarHBondContact O-CG 3.28Å; R230-Q234 PolarHBondContact O-N 2.9Å; R230-C264 HydrophobicContact CG-CB 3.91Å |
| 231 | A | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E227 E228 L229 Q234 T235 | E227-A231 PolarHBondContact O-N 3.35Å; E228-A231 PolarHBondContact O-N 2.91Å; L229-A231 VanDerWaalsContact C-N 3.32Å; L229-A231 PolarHBondContact O-N 3.2Å; A231-Q234 PolarHBondContact O-N 3.35Å; A231-T235 WeakPolarHBondContact O-CB 3.22Å; A231-T235 PolarHBondContact O-N 3Å; A231-T235 PolarHBondContact O-OG1 3.31Å |
| 232 | L | 98.6 | Very high | 98.6 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 176.8 | -175.9 | 61.5 | 0 | 0 | 0 | 111.6 | M211 D215 F216 E228 L229 R230 T235 K236 | M211-L232 HydrophobicContact CE-CD2 4.18Å; M211-L232 HydrophobicContact CE-CG 3.78Å; D215-L232 HydrophobicContact CB-CD2 4.04Å; F216-L232 HydrophobicContact CD1-CD2 3.52Å; F216-L232 HydrophobicContact CE1-CD2 3.52Å; F216-L232 HydrophobicContact CE1-CG 4.47Å; F216-L232 HydrophobicContact CG-CD2 4.5Å; F216-L232 HydrophobicContact CZ-CD2 4.48Å; E228-L232 WeakPolarHBondContact O-CB 3.43Å; E228-L232 PolarHBondContact O-N 3Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.03Å; R230-L232 VanDerWaalsContact C-N 3.32Å; R230-L232 PolarHBondContact O-N 2.73Å; L232-T235 PolarHBondContact O-N 3.14Å; L232-K236 VanDerWaalsContact O-CG 3.28Å; L232-K236 WeakPolarHBondContact O-CG 3.22Å; L232-K236 PolarHBondContact O-N 2.93Å; L232-K236 VanDerWaalsContact O-N 3.15Å |
| 233 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.2 | -76.7 | -71 | 0 | 0 | 0 | 112 | M211 F216 L229 R230 T235 K236 K237 V238 L240 L244 V257 A260 A261 | M211-F233 HydrophobicContact CE-CD1 3.53Å; M211-F233 HydrophobicContact CE-CE1 3.76Å; M211-F233 HydrophobicContact CE-CG 4Å; M211-F233 HydrophobicContact CE-CZ 4.4Å; M211-F233 HydrophobicContact SD-CD1 3.7Å; M211-F233 HydrophobicContact SD-CE1 3.81Å; F216-F233 HydrophobicContact CE1-CZ 4.31Å; L229-F233 WeakPolarHBondContact O-CD2 3.44Å; L229-F233 PolarHBondContact O-N 3.29Å; L229-F233 VanDerWaalsContact O-N 3.09Å; R230-F233 PolarHBondContact O-N 3.25Å; F233-T235 PolarHBondContact O-N 3.39Å; F233-K236 CarbonylContact O-C 3.5Å; F233-K236 PolarHBondContact O-N 2.96Å; F233-K237 PolarHBondContact O-N 3.28Å; F233-K237 VanDerWaalsContact O-N 3.15Å; F233-V238 HydrophobicContact CB-CB 4.42Å; F233-V238 HydrophobicContact CD1-CB 3.94Å; F233-V238 HydrophobicContact CD1-CG1 3.72Å; F233-V238 HydrophobicContact CE1-CG1 4.33Å; F233-V238 PolarHBondContact O-N 3.09Å; F233-L240 HydrophobicContact CB-CD1 4.35Å; F233-L240 HydrophobicContact CB-CD2 4.49Å; F233-L240 HydrophobicContact CB-CG 4.23Å; F233-L240 HydrophobicContact CD1-CD2 3.84Å; F233-L240 HydrophobicContact CD1-CG 4.48Å; F233-L240 HydrophobicContact CD2-CD1 3.77Å; F233-L240 HydrophobicContact CD2-CD2 3.97Å; F233-L240 HydrophobicContact CD2-CG 4.18Å; F233-L240 HydrophobicContact CE1-CD2 3.99Å; F233-L240 HydrophobicContact CE2-CD1 4.31Å; F233-L240 HydrophobicContact CE2-CD2 4.11Å; F233-L240 HydrophobicContact CG-CD1 4.12Å; F233-L240 HydrophobicContact CG-CD2 3.85Å; F233-L240 HydrophobicContact CG-CG 4.06Å; F233-L240 HydrophobicContact CZ-CD2 4.12Å; F233-L244 HydrophobicContact CE1-CD1 4.39Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F233-V257 HydrophobicContact CZ-CG1 4.21Å; F233-A260 HydrophobicContact CE2-CB 3.95Å; F233-A260 HydrophobicContact CZ-CB 4.09Å; F233-A261 HydrophobicContact CE2-CB 4.34Å; F233-A261 HydrophobicContact CZ-CB 4Å |
| 234 | Q | 98.5 | Very high | 98.6 | Very high | 143 Ų | 143 | 68.5 Ų | 68.5 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 178.2 | -73 | 173.3 | -6.5 | 0 | 0 | 112.5 | R230 A231 K236 K237 | R230-Q234 VanDerWaalsContact O-CG 3.31Å; R230-Q234 WeakPolarHBondContact O-CG 3.28Å; R230-Q234 PolarHBondContact O-N 2.9Å; A231-Q234 PolarHBondContact O-N 3.35Å; Q234-K236 PolarHBondContact O-N 2.95Å; Q234-K237 WeakPolarHBondContact O-CA 3.27Å; Q234-K237 PolarHBondContact O-N 2.86Å |
| 235 | T | 98.4 | Very high | 98.6 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.3 | -36.5 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | A231 L232 F233 K237 | A231-T235 WeakPolarHBondContact O-CB 3.22Å; A231-T235 PolarHBondContact O-N 3Å; A231-T235 PolarHBondContact O-OG1 3.31Å; L232-T235 PolarHBondContact O-N 3.14Å; F233-T235 PolarHBondContact O-N 3.39Å; T235-K237 PolarHBondContact O-N 3.08Å |
| 236 | K | 98.4 | Very high | 98.6 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3 | 177.6 | -63.8 | -75.4 | -174.5 | 163.1 | 0 | 113.2 | V209 N210 M211 L232 F233 Q234 V238 | V209-K236 HydrophobicContact CG1-CB 4.11Å; N210-K236 PolarHBondContact O-NZ 3.05Å; M211-K236 HydrophobicContact CE-CB 4.38Å; M211-K236 HydrophobicContact CE-CG 4.17Å; M211-K236 HydrophobicContact CG-CB 4.14Å; M211-K236 HydrophobicContact CG-CD 4.31Å; M211-K236 HydrophobicContact CG-CG 3.91Å; M211-K236 HydrophobicContact SD-CB 4.15Å; M211-K236 HydrophobicContact SD-CG 4.33Å; L232-K236 VanDerWaalsContact O-CG 3.28Å; L232-K236 WeakPolarHBondContact O-CG 3.22Å; L232-K236 PolarHBondContact O-N 2.93Å; L232-K236 VanDerWaalsContact O-N 3.15Å; F233-K236 CarbonylContact O-C 3.5Å; F233-K236 PolarHBondContact O-N 2.96Å; Q234-K236 PolarHBondContact O-N 2.95Å; K236-V238 HydrophobicContact CB-CG2 4.18Å; K236-V238 PolarHBondContact O-N 2.86Å |
| 237 | K | 98.5 | Very high | 98.7 | Very high | 191 Ų | 191 | 61.5 Ų | 61.5 | 83% | 0.83 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.3 | -177.3 | -55.4 | -179.5 | 179.7 | 179.4 | 0 | 113 | F233 Q234 T235 | F233-K237 PolarHBondContact O-N 3.28Å; F233-K237 VanDerWaalsContact O-N 3.15Å; Q234-K237 WeakPolarHBondContact O-CA 3.27Å; Q234-K237 PolarHBondContact O-N 2.86Å; T235-K237 PolarHBondContact O-N 3.08Å |
| 238 | V | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | trans | -99 | 114 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | Q178 V180 V209 M211 F233 K236 L244 | Q178-V238 VanDerWaalsContact OE1-CA 3.28Å; V180-V238 HydrophobicContact CG2-CG1 4.08Å; V180-V238 HydrophobicContact CG2-CG2 3.92Å; V209-V238 HydrophobicContact CB-CG2 4.37Å; V209-V238 HydrophobicContact CG1-CG2 4.06Å; M211-V238 HydrophobicContact SD-CG2 3.96Å; F233-V238 HydrophobicContact CB-CB 4.42Å; F233-V238 HydrophobicContact CD1-CB 3.94Å; F233-V238 HydrophobicContact CD1-CG1 3.72Å; F233-V238 HydrophobicContact CE1-CG1 4.33Å; F233-V238 PolarHBondContact O-N 3.09Å; K236-V238 HydrophobicContact CB-CG2 4.18Å; K236-V238 PolarHBondContact O-N 2.86Å; V238-L244 HydrophobicContact CG1-CD1 3.37Å; V238-L244 HydrophobicContact CG1-CG 4.43Å | ||
| 239 | D | 98.6 | Very high | 98.7 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | trans | -87.2 | 107.6 | -179.3 | -176.2 | -7.2 | 0 | 0 | 0 | 110.9 | Q178 S241 Q242 | Q178-D239 PolarHBondContact NE2-O 2.78Å; D239-S241 PolarHBondContact O-N 2.97Å; D239-S241 VanDerWaalsContact OD1-CB 3.26Å; D239-S241 WeakPolarHBondContact OD1-CB 3.36Å; D239-S241 PolarHBondContact OD1-N 3.28Å; D239-S241 PolarHBondContact OD1-OG 3.06Å; D239-S241 PolarHBondContact OD2-OG 2.64Å; D239-S241 VanDerWaalsContact OD2-OG 3.05Å; D239-Q242 HydrophobicContact CB-CB 4.41Å; D239-Q242 HydrophobicContact CB-CG 4.09Å; D239-Q242 PolarHBondContact O-N 3.26Å; D239-Q242 WeakPolarHBondContact OD2-CG 3.02Å | ||
| 240 | L | 98.6 | Very high | 98.6 | Very high | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.7 | 179.4 | -66.1 | 179 | 0 | 0 | 0 | 113.8 | F233 Q242 L244 A261 C264 K266 | F233-L240 HydrophobicContact CB-CD1 4.35Å; F233-L240 HydrophobicContact CB-CD2 4.49Å; F233-L240 HydrophobicContact CB-CG 4.23Å; F233-L240 HydrophobicContact CD1-CD2 3.84Å; F233-L240 HydrophobicContact CD1-CG 4.48Å; F233-L240 HydrophobicContact CD2-CD1 3.77Å; F233-L240 HydrophobicContact CD2-CD2 3.97Å; F233-L240 HydrophobicContact CD2-CG 4.18Å; F233-L240 HydrophobicContact CE1-CD2 3.99Å; F233-L240 HydrophobicContact CE2-CD1 4.31Å; F233-L240 HydrophobicContact CE2-CD2 4.11Å; F233-L240 HydrophobicContact CG-CD1 4.12Å; F233-L240 HydrophobicContact CG-CD2 3.85Å; F233-L240 HydrophobicContact CG-CG 4.06Å; F233-L240 HydrophobicContact CZ-CD2 4.12Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-L244 HydrophobicContact CD2-CD1 4.17Å; L240-A261 HydrophobicContact CD2-CB 4.02Å; L240-C264 HydrophobicContact CD1-CB 3.55Å; L240-K266 HydrophobicContact CB-CD 4.17Å; L240-K266 HydrophobicContact CD2-CD 3.87Å; L240-K266 WeakPolarHBondContact O-CD 3.27Å; L240-K266 WeakPolarHBondContact O-CE 3.35Å; L240-K266 PolarHBondContact O-NZ 3.3Å; L240-K266 VanDerWaalsContact O-NZ 3.13Å |
| 241 | S | 98.1 | Very high | 98.6 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 62% | 0.622 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.1 | 172.2 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | D239 | D239-S241 PolarHBondContact O-N 2.97Å; D239-S241 VanDerWaalsContact OD1-CB 3.26Å; D239-S241 WeakPolarHBondContact OD1-CB 3.36Å; D239-S241 PolarHBondContact OD1-N 3.28Å; D239-S241 PolarHBondContact OD1-OG 3.06Å; D239-S241 PolarHBondContact OD2-OG 2.64Å; D239-S241 VanDerWaalsContact OD2-OG 3.05Å |
| 242 | Q | 98.4 | Very high | 98.6 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -97.3 | 162 | -178.8 | -63.6 | -60.9 | -38.3 | 0 | 0 | 112.1 | D239 L240 K266 | D239-Q242 HydrophobicContact CB-CB 4.41Å; D239-Q242 HydrophobicContact CB-CG 4.09Å; D239-Q242 PolarHBondContact O-N 3.26Å; D239-Q242 WeakPolarHBondContact OD2-CG 3.02Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; Q242-K266 WeakPolarHBondContact O-CE 3.49Å; Q242-K266 PolarHBondContact O-NZ 2.97Å |
| 243 | P | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | trans | -59.3 | 139.9 | 174.1 | -22.4 | 34 | 0 | 0 | 0 | 112.1 | F177 Q178 | F177-P243 HydrophobicContact CB-CB 4.48Å; F177-P243 HydrophobicContact CD1-CB 3.26Å; F177-P243 HydrophobicContact CE1-CB 3.54Å; F177-P243 HydrophobicContact CG-CB 3.97Å; F177-P243 HydrophobicContact CZ-CB 4.43Å; Q178-P243 PolarHBondContact N-O 3.05Å; Q178-P243 PolarHBondContact NE2-O 2.98Å | ||
| 244 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.6 | -174.2 | -167.4 | 159.3 | 0 | 0 | 0 | 110.5 | Q178 V180 F233 V238 L240 V257 V269 A270 | Q178-L244 HydrophobicContact CB-CG 4.48Å; V180-L244 HydrophobicContact CB-CD2 4.44Å; V180-L244 HydrophobicContact CG2-CD1 4.28Å; V180-L244 HydrophobicContact CG2-CD2 4.2Å; V180-L244 HydrophobicContact CG2-CG 4.23Å; F233-L244 HydrophobicContact CE1-CD1 4.39Å; V238-L244 HydrophobicContact CG1-CD1 3.37Å; V238-L244 HydrophobicContact CG1-CG 4.43Å; L240-L244 HydrophobicContact CD2-CD1 4.17Å; L244-V257 HydrophobicContact CD2-CG1 4.05Å; L244-V269 HydrophobicContact CB-CG2 4.28Å; L244-V269 HydrophobicContact CD2-CB 4.35Å; L244-V269 HydrophobicContact CD2-CG1 3.48Å; L244-V269 VanDerWaalsContact CD2-CG1 3.48Å; L244-V269 HydrophobicContact CD2-CG2 3.99Å; L244-A270 PolarHBondContact O-N 2.8Å |
| 245 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129 | 172.1 | -59.1 | 170.7 | 0 | 0 | 0 | 108 | K163 F177 Q178 L179 V180 A270 | K163-I245 HydrophobicContact CB-CG2 4.35Å; K163-I245 HydrophobicContact CD-CD1 4.13Å; K163-I245 HydrophobicContact CD-CG1 4.47Å; K163-I245 HydrophobicContact CG-CD1 3.75Å; K163-I245 HydrophobicContact CG-CG1 3.82Å; K163-I245 HydrophobicContact CG-CG2 4.08Å; F177-I245 HydrophobicContact CB-CD1 3.53Å; F177-I245 HydrophobicContact CB-CG1 3.76Å; F177-I245 HydrophobicContact CD1-CD1 3.92Å; F177-I245 HydrophobicContact CD1-CG1 3.76Å; F177-I245 HydrophobicContact CD2-CD1 4.06Å; F177-I245 HydrophobicContact CG-CD1 3.57Å; F177-I245 HydrophobicContact CG-CG1 3.87Å; Q178-I245 PolarHBondContact O-N 3.24Å; L179-I245 WeakPolarHBondContact CA-O 3.24Å; L179-I245 HydrophobicContact CD1-CB 3.91Å; L179-I245 HydrophobicContact CD1-CG2 3.71Å; V180-I245 PolarHBondContact N-O 3.08Å; I245-A270 CarbonylContact C-O 3.42Å; I245-A270 WeakPolarHBondContact CA-O 3.33Å |
| 246 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 139.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V180 A254 V257 V269 A270 V271 Y272 | V180-A246 CarbonylContact O-C 3.54Å; V180-A246 WeakPolarHBondContact O-CA 3.24Å; A246-A254 HydrophobicContact CB-CB 4Å; A246-A254 WeakPolarHBondContact CB-O 3.38Å; A246-V257 HydrophobicContact CB-CB 3.83Å; A246-V257 HydrophobicContact CB-CG1 4.08Å; A246-V257 HydrophobicContact CB-CG2 4.36Å; A246-V269 HydrophobicContact CB-CG1 4.03Å; A246-A270 PolarHBondContact N-O 2.94Å; A246-V271 WeakPolarHBondContact O-CA 3.41Å; A246-Y272 PolarHBondContact O-N 2.97Å |
| 247 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 164 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | L179 V180 D181 S182 S275 | L179-T247 HydrophobicContact CD1-CG2 3.85Å; L179-T247 HydrophobicContact CG-CG2 4.21Å; V180-T247 PolarHBondContact O-N 2.93Å; D181-T247 VanDerWaalsContact CA-O 3.28Å; D181-T247 WeakPolarHBondContact CA-O 3.45Å; D181-T247 HydrophobicContact CB-CG2 3.87Å; S182-T247 PolarHBondContact N-O 3.33Å; T247-S275 WeakPolarHBondContact OG1-CA 3.5Å; T247-S275 PolarHBondContact OG1-OG 2.73Å |
| 248 | C | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | trans | -153.8 | -126.6 | 167.6 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | S182 R183 T253 A254 S275 W276 | S182-C248 WeakPolarHBondContact OG-CB 3.45Å; R183-C248 HydrophobicContact CG-CB 4.09Å; C248-T253 WeakPolarHBondContact CB-OG1 3.39Å; C248-T253 PolarHBondContact SG-OG1 2.81Å; C248-A254 HydrophobicContact CB-CB 4.23Å; C248-A254 PolarHBondContact SG-N 3.5Å; C248-A254 VanDerWaalsContact SG-N 3.36Å; C248-S275 PolarHBondContact N-OG 2.93Å; C248-S275 VanDerWaalsContact N-OG 3.13Å; C248-S275 WeakPolarHBondContact O-CB 3.38Å; C248-W276 WeakPolarHBondContact O-CB 3.36Å; C248-W276 PolarHBondContact O-N 2.7Å | ||
| 249 | R | 98.4 | Very high | 98.7 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -83.9 | -49.8 | 172 | 172.6 | 54.2 | -179.6 | -79.6 | -13.6 | 113.3 | E72 R183 R187 E194 P195 L200 S275 W276 S277 | E72-R249 IonicContact OE1-NH2 3.71Å; E72-R249 IonicContact OE2-CZ 2.7Å; E72-R249 IonicContact OE2-NE 3.7Å; E72-R249 PolarHBondContact OE2-NE 3.46Å; E72-R249 IonicContact OE2-NH2 3.43Å; E72-R249 PolarHBondContact OE2-NH2 2.7Å; R183-R249 HydrophobicContact CG-CB 4.36Å; R187-R249 VanDerWaalsContact NH2-CB 3.29Å; E194-R249 VanDerWaalsContact OE2-CD 3.3Å; E194-R249 WeakPolarHBondContact OE2-CD 3.37Å; E194-R249 IonicContact OE2-CZ 3.49Å; E194-R249 IonicContact OE2-NE 3.26Å; E194-R249 IonicContact OE2-NH1 2.74Å; E194-R249 PolarHBondContact OE2-NH1 2.99Å; P195-R249 PolarHBondContact O-NH1 3.3Å; P195-R249 PolarHBondContact O-NH2 3.43Å; P195-R249 VanDerWaalsContact O-NH2 3.12Å; L200-R249 VanDerWaalsContact CD2-NE 3.27Å; R249-S275 WeakPolarHBondContact O-CB 3.34Å; R249-W276 PolarHBondContact O-N 3.16Å; R249-S277 WeakPolarHBondContact CD-OG 3.3Å; R249-S277 PolarHBondContact NE-OG 2.64Å; R249-S277 WeakPolarHBondContact O-CB 3.49Å; R249-S277 PolarHBondContact O-N 2.81Å |
| 250 | K | 98.1 | Very high | 98.7 | Very high | 23 Ų | 23 | 15.7 Ų | 15.7 | 10% | 0.1 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -147.8 | 33.9 | -168 | 59.4 | -178.6 | -173.5 | 179.7 | 0 | 113 | W36 E72 M73 Y108 V252 D273 | W36-K250 VanDerWaalsContact CZ3-NZ 3.31Å; E72-K250 HydrophobicContact CB-CB 3.7Å; E72-K250 HydrophobicContact CB-CD 4.06Å; M73-K250 HydrophobicContact CB-CB 4.49Å; M73-K250 HydrophobicContact CG-CD 3.79Å; M73-K250 HydrophobicContact CG-CG 4.29Å; Y108-K250 WeakPolarHBondContact OH-CE 3.23Å; Y108-K250 PolarHBondContact OH-NZ 2.74Å; K250-V252 HydrophobicContact CG-CG2 4.01Å; K250-V252 PolarHBondContact O-N 2.95Å; K250-D273 CarbonylContact C-O 3.36Å |
| 251 | G | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 71 | 2.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R111 C255 D273 S275 | R111-G251 PolarHBondContact NH1-O 3.35Å; G251-C255 PolarHBondContact O-SG 2.97Å; G251-D273 WeakPolarHBondContact CA-O 3.46Å; G251-D273 PolarHBondContact N-O 3.3Å; G251-S275 WeakPolarHBondContact CA-OG 3.42Å; G251-S275 PolarHBondContact N-OG 2.81Å |
| 252 | V | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -82.8 | -75.6 | -177 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | M73 F107 Y108 R111 K250 A254 C255 | M73-V252 HydrophobicContact CB-CG2 4.4Å; M73-V252 HydrophobicContact CG-CG2 4.33Å; F107-V252 HydrophobicContact CD1-CG1 4.11Å; F107-V252 HydrophobicContact CE1-CG1 4.07Å; Y108-V252 HydrophobicContact CD1-CG1 3.88Å; Y108-V252 HydrophobicContact CD1-CG2 4.36Å; Y108-V252 HydrophobicContact CD2-CG1 4.23Å; Y108-V252 HydrophobicContact CE1-CB 4.47Å; Y108-V252 HydrophobicContact CE1-CG1 3.86Å; Y108-V252 HydrophobicContact CE1-CG2 3.74Å; Y108-V252 HydrophobicContact CE2-CG1 4.15Å; Y108-V252 HydrophobicContact CG-CG1 4.05Å; R111-V252 HydrophobicContact CB-CB 4.45Å; R111-V252 HydrophobicContact CB-CG1 4.04Å; R111-V252 HydrophobicContact CG-CG2 4.27Å; K250-V252 HydrophobicContact CG-CG2 4.01Å; K250-V252 PolarHBondContact O-N 2.95Å; V252-A254 PolarHBondContact O-N 3.14Å; V252-C255 VanDerWaalsContact O-CB 3.27Å; V252-C255 WeakPolarHBondContact O-CB 3.34Å; V252-C255 PolarHBondContact O-N 3.2Å; V252-C255 PolarHBondContact O-SG 2.8Å |
| 253 | T | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 8.4 Ų | 8.4 | 7% | 0.074 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | -177 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | F107 S182 F213 C248 C255 H256 | F107-T253 HydrophobicContact CD1-CG2 4.32Å; F107-T253 HydrophobicContact CE1-CG2 3.85Å; F107-T253 HydrophobicContact CE2-CG2 4.02Å; F107-T253 HydrophobicContact CZ-CG2 3.69Å; S182-T253 PolarHBondContact OG-O 3.34Å; S182-T253 PolarHBondContact OG-OG1 2.88Å; F213-T253 HydrophobicContact CD1-CG2 3.82Å; F213-T253 HydrophobicContact CD2-CG2 4.45Å; F213-T253 HydrophobicContact CE1-CG2 4.07Å; F213-T253 HydrophobicContact CG-CG2 4.02Å; F213-T253 HydrophobicContact CZ-CG2 4.49Å; C248-T253 WeakPolarHBondContact CB-OG1 3.39Å; C248-T253 PolarHBondContact SG-OG1 2.81Å; T253-C255 PolarHBondContact O-N 3.42Å; T253-H256 WeakPolarHBondContact O-CB 3.05Å; T253-H256 PolarHBondContact O-N 3.46Å |
| 254 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.7 | -29.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S182 A246 C248 V252 H256 V257 A258 V271 | S182-A254 PolarHBondContact OG-N 3.28Å; A246-A254 HydrophobicContact CB-CB 4Å; A246-A254 WeakPolarHBondContact CB-O 3.38Å; C248-A254 HydrophobicContact CB-CB 4.23Å; C248-A254 PolarHBondContact SG-N 3.5Å; C248-A254 VanDerWaalsContact SG-N 3.36Å; V252-A254 PolarHBondContact O-N 3.14Å; A254-H256 PolarHBondContact O-N 2.92Å; A254-V257 WeakPolarHBondContact O-CB 3.12Å; A254-V257 PolarHBondContact O-N 3.26Å; A254-V257 VanDerWaalsContact O-N 3.1Å; A254-A258 PolarHBondContact O-N 2.98Å; A254-V271 HydrophobicContact CB-CG1 3.96Å |
| 255 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.2 | -19.6 | 179 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | P110 W114 G251 V252 T253 A258 L259 | P110-C255 VanDerWaalsContact C-CB 3.46Å; P110-C255 HydrophobicContact CB-CB 3.97Å; P110-C255 VanDerWaalsContact O-CB 3.27Å; P110-C255 WeakPolarHBondContact O-CB 3.43Å; W114-C255 HydrophobicContact CB-CB 4.04Å; G251-C255 PolarHBondContact O-SG 2.97Å; V252-C255 VanDerWaalsContact O-CB 3.27Å; V252-C255 WeakPolarHBondContact O-CB 3.34Å; V252-C255 PolarHBondContact O-N 3.2Å; V252-C255 PolarHBondContact O-SG 2.8Å; T253-C255 PolarHBondContact O-N 3.42Å; C255-A258 PolarHBondContact O-N 2.96Å; C255-L259 WeakPolarHBondContact O-CB 3.44Å; C255-L259 PolarHBondContact O-N 3.28Å |
| 256 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 168.6 | -68.6 | 72 | 0 | 0 | 0 | 112.1 | S106 F107 F213 F216 T253 A254 A258 L259 A260 | S106-H256 PolarHBondContact O-NE2 3.32Å; S106-H256 VanDerWaalsContact O-NE2 3.15Å; S106-H256 PolarHBondContact OG-NE2 3.01Å; F107-H256 PolarHBondContact O-CE1 2.9Å; F107-H256 VanDerWaalsContact O-CE1 3.25Å; F213-H256 HydrophobicContact CB-CB 3.99Å; F213-H256 AromaticContact CD2-CD2 3.83Å; F213-H256 AromaticContact CD2-CE1 3.86Å; F213-H256 AromaticContact CD2-NE2 3.67Å; F216-H256 HydrophobicContact CD2-CB 3.9Å; F216-H256 HydrophobicContact CE2-CB 4.38Å; T253-H256 WeakPolarHBondContact O-CB 3.05Å; T253-H256 PolarHBondContact O-N 3.46Å; A254-H256 PolarHBondContact O-N 2.92Å; H256-A258 VanDerWaalsContact C-N 3.28Å; H256-A258 PolarHBondContact O-N 3.4Å; H256-L259 PolarHBondContact O-N 3.02Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.12Å; H256-A260 PolarHBondContact O-N 3.11Å |
| 257 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | V180 F216 F233 L244 A246 A254 A261 | V180-V257 HydrophobicContact CB-CG1 4.19Å; V180-V257 HydrophobicContact CG1-CG1 3.89Å; V180-V257 HydrophobicContact CG1-CG2 3.96Å; F216-V257 HydrophobicContact CE2-CB 4.5Å; F216-V257 HydrophobicContact CE2-CG2 3.81Å; F216-V257 HydrophobicContact CZ-CB 4.47Å; F216-V257 HydrophobicContact CZ-CG2 3.97Å; F233-V257 HydrophobicContact CE1-CG1 4.04Å; F233-V257 HydrophobicContact CZ-CG1 4.21Å; L244-V257 HydrophobicContact CD2-CG1 4.05Å; A246-V257 HydrophobicContact CB-CB 3.83Å; A246-V257 HydrophobicContact CB-CG1 4.08Å; A246-V257 HydrophobicContact CB-CG2 4.36Å; A254-V257 WeakPolarHBondContact O-CB 3.12Å; A254-V257 PolarHBondContact O-N 3.26Å; A254-V257 VanDerWaalsContact O-N 3.1Å; V257-A261 VanDerWaalsContact O-CB 3.28Å; V257-A261 WeakPolarHBondContact O-CB 3.34Å; V257-A261 PolarHBondContact O-N 2.7Å |
| 258 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W113 A254 C255 H256 Y262 V269 | W113-A258 HydrophobicContact CZ3-CB 4.13Å; A254-A258 PolarHBondContact O-N 2.98Å; C255-A258 PolarHBondContact O-N 2.96Å; H256-A258 VanDerWaalsContact C-N 3.28Å; H256-A258 PolarHBondContact O-N 3.4Å; A258-Y262 WeakPolarHBondContact O-CB 3.43Å; A258-Y262 PolarHBondContact O-N 3.06Å; A258-V269 HydrophobicContact CB-CB 4.02Å; A258-V269 HydrophobicContact CB-CG1 3.85Å |
| 259 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 176 | 179.1 | 60.7 | 0 | 0 | 0 | 111.2 | A9 L10 P110 W113 V126 C255 H256 A261 Y262 L263 | A9-L259 HydrophobicContact CB-CD1 3.65Å; L10-L259 HydrophobicContact CD2-CD2 4.41Å; P110-L259 HydrophobicContact CB-CD2 4.28Å; P110-L259 HydrophobicContact CG-CD2 4Å; W113-L259 HydrophobicContact CD2-CD1 4.37Å; W113-L259 HydrophobicContact CE3-CB 4.44Å; W113-L259 HydrophobicContact CH2-CB 4.34Å; W113-L259 HydrophobicContact CH2-CD1 4.31Å; W113-L259 HydrophobicContact CZ2-CD1 4.07Å; W113-L259 HydrophobicContact CZ3-CB 4.09Å; V126-L259 HydrophobicContact CG2-CD2 4.25Å; C255-L259 WeakPolarHBondContact O-CB 3.44Å; C255-L259 PolarHBondContact O-N 3.28Å; H256-L259 PolarHBondContact O-N 3.02Å; L259-A261 PolarHBondContact O-N 2.95Å; L259-Y262 WeakPolarHBondContact O-CB 3.29Å; L259-Y262 PolarHBondContact O-N 3.49Å; L259-Y262 VanDerWaalsContact O-N 3.15Å; L259-L263 HydrophobicContact CD1-CD1 4.41Å; L259-L263 HydrophobicContact CD1-CG 4.45Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.32Å |
| 260 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F216 L229 F233 H256 Y262 L263 C264 | F216-A260 HydrophobicContact CD1-CB 3.68Å; F216-A260 HydrophobicContact CE1-CB 3.9Å; F216-A260 HydrophobicContact CG-CB 4.12Å; L229-A260 HydrophobicContact CD1-CB 4.23Å; L229-A260 HydrophobicContact CD2-CB 3.94Å; F233-A260 HydrophobicContact CE2-CB 3.95Å; F233-A260 HydrophobicContact CZ-CB 4.09Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.12Å; H256-A260 PolarHBondContact O-N 3.11Å; A260-Y262 VanDerWaalsContact C-N 3.35Å; A260-Y262 PolarHBondContact O-N 2.98Å; A260-L263 PolarHBondContact O-N 3.2Å; A260-C264 PolarHBondContact O-N 3.08Å; A260-C264 VanDerWaalsContact O-N 3.09Å; A260-C264 PolarHBondContact O-SG 3.05Å |
| 261 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F233 L240 V257 L259 L263 C264 G265 K266 V269 | F233-A261 HydrophobicContact CE2-CB 4.34Å; F233-A261 HydrophobicContact CZ-CB 4Å; L240-A261 HydrophobicContact CD2-CB 4.02Å; V257-A261 VanDerWaalsContact O-CB 3.28Å; V257-A261 WeakPolarHBondContact O-CB 3.34Å; V257-A261 PolarHBondContact O-N 2.7Å; L259-A261 PolarHBondContact O-N 2.95Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 PolarHBondContact O-N 2.86Å; A261-C264 CarbonylContact O-C 3.59Å; A261-C264 WeakPolarHBondContact O-CA 3.33Å; A261-C264 WeakPolarHBondContact O-CB 3.43Å; A261-C264 PolarHBondContact O-N 2.82Å; A261-G265 PolarHBondContact O-N 3.24Å; A261-K266 CarbonylContact C-O 3.49Å; A261-K266 HydrophobicContact CB-CB 4.19Å; A261-K266 HydrophobicContact CB-CD 4.4Å; A261-K266 WeakPolarHBondContact O-CA 3.43Å; A261-K266 WeakPolarHBondContact O-CB 3.47Å; A261-K266 PolarHBondContact O-N 3.36Å; A261-V269 HydrophobicContact CB-CG2 3.42Å; A261-V269 VanDerWaalsContact CB-CG2 3.42Å |
| 262 | Y | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 13.9 Ų | 13.9 | 8% | 0.082 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.5 | -173.6 | -76.6 | 0 | 0 | 0 | 111.4 | L6 Y7 A9 W113 A258 L259 A260 C264 G265 K266 P267 | L6-Y262 HydrophobicContact CB-CE1 4.01Å; L6-Y262 HydrophobicContact CD1-CD1 4.45Å; L6-Y262 HydrophobicContact CD1-CE1 4.23Å; L6-Y262 HydrophobicContact CD2-CE2 4.08Å; Y7-Y262 PolarHBondContact N-OH 3.32Å; Y7-Y262 WeakPolarHBondContact O-CE1 3.36Å; Y7-Y262 PolarHBondContact O-OH 2.65Å; A9-Y262 HydrophobicContact CB-CD1 3.55Å; A9-Y262 HydrophobicContact CB-CE1 3.61Å; A9-Y262 HydrophobicContact CB-CG 4.47Å; W113-Y262 HydrophobicContact CH2-CD2 4.15Å; W113-Y262 HydrophobicContact CH2-CG 4.16Å; W113-Y262 HydrophobicContact CZ2-CD1 4.34Å; W113-Y262 AromaticContact CZ2-CD2 3.81Å; W113-Y262 HydrophobicContact CZ2-CD2 3.81Å; W113-Y262 HydrophobicContact CZ2-CE2 4.32Å; W113-Y262 AromaticContact CZ2-CG 3.83Å; W113-Y262 HydrophobicContact CZ2-CG 3.83Å; A258-Y262 WeakPolarHBondContact O-CB 3.43Å; A258-Y262 PolarHBondContact O-N 3.06Å; L259-Y262 WeakPolarHBondContact O-CB 3.29Å; L259-Y262 PolarHBondContact O-N 3.49Å; L259-Y262 VanDerWaalsContact O-N 3.15Å; A260-Y262 VanDerWaalsContact C-N 3.35Å; A260-Y262 PolarHBondContact O-N 2.98Å; Y262-C264 PolarHBondContact O-N 2.79Å; Y262-G265 PolarHBondContact O-N 3.12Å; Y262-K266 WeakPolarHBondContact CA-O 3.34Å; Y262-K266 PolarHBondContact N-O 2.82Å; Y262-P267 HydrophobicContact CD2-CB 3.91Å; Y262-P267 HydrophobicContact CE2-CB 3.97Å |
| 263 | L | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 14 Ų | 14 | 26% | 0.257 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -67.2 | -25 | 175.6 | -65.3 | 170 | 0 | 0 | 0 | 112.9 | A9 L10 E223 L229 L259 A260 A261 G265 | A9-L263 HydrophobicContact CB-CD2 4.21Å; L10-L263 HydrophobicContact CD1-CD1 3.72Å; L10-L263 HydrophobicContact CD1-CD2 4.01Å; L10-L263 HydrophobicContact CG-CD1 4.2Å; L10-L263 HydrophobicContact CG-CD2 4.03Å; E223-L263 HydrophobicContact CG-CD1 3.62Å; L229-L263 HydrophobicContact CD1-CB 4.14Å; L229-L263 HydrophobicContact CD1-CD1 4.05Å; L259-L263 HydrophobicContact CD1-CD1 4.41Å; L259-L263 HydrophobicContact CD1-CG 4.45Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 3.32Å; A260-L263 PolarHBondContact O-N 3.2Å; A261-L263 VanDerWaalsContact C-N 3.32Å; A261-L263 PolarHBondContact O-N 2.86Å; L263-G265 VanDerWaalsContact C-N 3.27Å |
| 264 | C | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 13.5 Ų | 13.5 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.4 | 170 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | L229 R230 L240 A260 A261 Y262 | L229-C264 VanDerWaalsContact CB-SG 3.59Å; R230-C264 HydrophobicContact CG-CB 3.91Å; L240-C264 HydrophobicContact CD1-CB 3.55Å; A260-C264 PolarHBondContact O-N 3.08Å; A260-C264 VanDerWaalsContact O-N 3.09Å; A260-C264 PolarHBondContact O-SG 3.05Å; A261-C264 CarbonylContact O-C 3.59Å; A261-C264 WeakPolarHBondContact O-CA 3.33Å; A261-C264 WeakPolarHBondContact O-CB 3.43Å; A261-C264 PolarHBondContact O-N 2.82Å; Y262-C264 PolarHBondContact O-N 2.79Å |
| 265 | G | 98.2 | Very high | 98.7 | Very high | 51 Ų | 51 | 13.5 Ų | 13.5 | 53% | 0.526 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A261 Y262 L263 P267 | A261-G265 PolarHBondContact O-N 3.24Å; Y262-G265 PolarHBondContact O-N 3.12Å; L263-G265 VanDerWaalsContact C-N 3.27Å; G265-P267 VanDerWaalsContact O-CD 3.26Å; G265-P267 WeakPolarHBondContact O-CD 3.36Å |
| 266 | K | 98.4 | Very high | 98.7 | Very high | 14 Ų | 14 | 13.7 Ų | 13.7 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | trans | -106.4 | 92.3 | 178.3 | -175 | -175.4 | -172.1 | 49.2 | 0 | 111.1 | L240 Q242 A261 Y262 D268 V269 | L240-K266 HydrophobicContact CB-CD 4.17Å; L240-K266 HydrophobicContact CD2-CD 3.87Å; L240-K266 WeakPolarHBondContact O-CD 3.27Å; L240-K266 WeakPolarHBondContact O-CE 3.35Å; L240-K266 PolarHBondContact O-NZ 3.3Å; L240-K266 VanDerWaalsContact O-NZ 3.13Å; Q242-K266 WeakPolarHBondContact O-CE 3.49Å; Q242-K266 PolarHBondContact O-NZ 2.97Å; A261-K266 CarbonylContact C-O 3.49Å; A261-K266 HydrophobicContact CB-CB 4.19Å; A261-K266 HydrophobicContact CB-CD 4.4Å; A261-K266 WeakPolarHBondContact O-CA 3.43Å; A261-K266 WeakPolarHBondContact O-CB 3.47Å; A261-K266 PolarHBondContact O-N 3.36Å; Y262-K266 WeakPolarHBondContact CA-O 3.34Å; Y262-K266 PolarHBondContact N-O 2.82Å; K266-D268 VanDerWaalsContact C-N 3.33Å; K266-D268 WeakPolarHBondContact CE-OD1 3.37Å; K266-D268 WeakPolarHBondContact CG-OD1 3.31Å; K266-D268 IonicContact NZ-OD1 3.11Å; K266-D268 PolarHBondContact NZ-OD1 3.41Å; K266-D268 IonicContact NZ-OD2 3.5Å; K266-D268 PolarHBondContact O-N 3.27Å; K266-V269 HydrophobicContact CD-CG2 3.75Å; K266-V269 HydrophobicContact CG-CG2 4.15Å | ||
| 267 | P | 98.3 | Very high | 98.6 | Very high | 31 Ų | 31 | 13.7 Ų | 13.7 | 20% | 0.201 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.8 | -176.2 | 32.7 | -37.3 | 0 | 0 | 0 | 114.4 | L6 R117 L161 Y262 G265 | L6-P267 HydrophobicContact CD2-CB 3.61Å; L6-P267 HydrophobicContact CD2-CG 3.81Å; R117-P267 PolarHBondContact NH2-O 2.76Å; L161-P267 WeakPolarHBondContact CD2-O 3.42Å; Y262-P267 HydrophobicContact CD2-CB 3.91Å; Y262-P267 HydrophobicContact CE2-CB 3.97Å; G265-P267 VanDerWaalsContact O-CD 3.26Å; G265-P267 WeakPolarHBondContact O-CD 3.36Å |
| 268 | D | 98.3 | Very high | 98.6 | Very high | 84 Ų | 84 | 14.1 Ų | 14.1 | 45% | 0.449 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 20.1 | -163.9 | 66.2 | -20.3 | 0 | 0 | 0 | 113.8 | K266 A270 | K266-D268 VanDerWaalsContact C-N 3.33Å; K266-D268 WeakPolarHBondContact CE-OD1 3.37Å; K266-D268 WeakPolarHBondContact CG-OD1 3.31Å; K266-D268 IonicContact NZ-OD1 3.11Å; K266-D268 PolarHBondContact NZ-OD1 3.41Å; K266-D268 IonicContact NZ-OD2 3.5Å; K266-D268 PolarHBondContact O-N 3.27Å; D268-A270 PolarHBondContact O-N 2.99Å |
| 269 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | trans | -67.1 | 119.4 | 171.5 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | L244 A246 A258 A261 K266 | L244-V269 HydrophobicContact CB-CG2 4.28Å; L244-V269 HydrophobicContact CD2-CB 4.35Å; L244-V269 HydrophobicContact CD2-CG1 3.48Å; L244-V269 VanDerWaalsContact CD2-CG1 3.48Å; L244-V269 HydrophobicContact CD2-CG2 3.99Å; A246-V269 HydrophobicContact CB-CG1 4.03Å; A258-V269 HydrophobicContact CB-CB 4.02Å; A258-V269 HydrophobicContact CB-CG1 3.85Å; A261-V269 HydrophobicContact CB-CG2 3.42Å; A261-V269 VanDerWaalsContact CB-CG2 3.42Å; K266-V269 HydrophobicContact CD-CG2 3.75Å; K266-V269 HydrophobicContact CG-CG2 4.15Å | ||
| 270 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S160 L161 K163 L244 I245 A246 D268 | S160-A270 WeakPolarHBondContact O-CB 3.37Å; L161-A270 CarbonylContact O-C 3.59Å; L161-A270 VanDerWaalsContact O-CA 3.3Å; L161-A270 WeakPolarHBondContact O-CA 3.45Å; K163-A270 HydrophobicContact CD-CB 4.39Å; K163-A270 HydrophobicContact CG-CB 3.76Å; L244-A270 PolarHBondContact O-N 2.8Å; I245-A270 CarbonylContact C-O 3.42Å; I245-A270 WeakPolarHBondContact CA-O 3.33Å; A246-A270 PolarHBondContact N-O 2.94Å; D268-A270 PolarHBondContact O-N 2.99Å |
| 271 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.6 | 173.9 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | W114 L161 K163 A246 A254 D273 | W114-V271 HydrophobicContact CD2-CB 4.42Å; W114-V271 HydrophobicContact CD2-CG2 4.11Å; W114-V271 HydrophobicContact CG-CG2 4.19Å; W114-V271 HydrophobicContact CH2-CB 4.27Å; W114-V271 HydrophobicContact CZ2-CB 3.67Å; W114-V271 HydrophobicContact CZ2-CG1 4.43Å; W114-V271 HydrophobicContact CZ2-CG2 4.19Å; L161-V271 PolarHBondContact O-N 2.81Å; K163-V271 PolarHBondContact N-O 3.15Å; A246-V271 WeakPolarHBondContact O-CA 3.41Å; A254-V271 HydrophobicContact CB-CG1 3.96Å; V271-D273 PolarHBondContact O-N 2.83Å |
| 272 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 99.6 | 163.3 | 172.9 | -143.8 | 0 | 0 | 0 | 109 | K163 V168 I205 A246 S275 E278 W279 | K163-Y272 WeakPolarHBondContact O-CA 3.17Å; K163-Y272 WeakPolarHBondContact O-CD2 3.44Å; V168-Y272 HydrophobicContact CG1-CD1 4.38Å; V168-Y272 HydrophobicContact CG2-CD1 3.96Å; V168-Y272 HydrophobicContact CG2-CD2 3.89Å; V168-Y272 HydrophobicContact CG2-CE1 4.49Å; V168-Y272 HydrophobicContact CG2-CE2 4.43Å; V168-Y272 HydrophobicContact CG2-CG 3.63Å; I205-Y272 HydrophobicContact CD1-CD1 4.32Å; I205-Y272 HydrophobicContact CD1-CE1 4.11Å; A246-Y272 PolarHBondContact O-N 2.97Å; Y272-S275 VanDerWaalsContact CE1-O 3.23Å; Y272-S275 WeakPolarHBondContact CE1-O 3.3Å; Y272-S275 PolarHBondContact O-N 2.86Å; Y272-S275 PolarHBondContact O-OG 2.53Å; Y272-E278 WeakPolarHBondContact CE2-OE2 3.03Å; Y272-E278 PolarHBondContact OH-OE2 3.46Å; Y272-W279 HydrophobicContact CE1-CB 4.2Å; Y272-W279 HydrophobicContact CE1-CE3 4.04Å; Y272-W279 PolarHBondContact OH-N 3.04Å |
| 273 | D | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -64.3 | -50 | -165.4 | -165.3 | 27.5 | 0 | 0 | 0 | 112.8 | M74 L75 R111 L162 K250 G251 V271 S275 | M74-D273 WeakPolarHBondContact CA-OD2 3.31Å; M74-D273 HydrophobicContact CE-CB 4.17Å; M74-D273 HydrophobicContact SD-CB 4.47Å; L75-D273 PolarHBondContact N-OD2 3.24Å; R111-D273 IonicContact CZ-OD1 3.93Å; R111-D273 IonicContact NH1-OD1 2.7Å; R111-D273 PolarHBondContact NH1-OD1 2.81Å; R111-D273 IonicContact NH2-OD1 3.93Å; R111-D273 PolarHBondContact NH2-OD1 2.76Å; R111-D273 IonicContact NH2-OD2 3.34Å; L162-D273 HydrophobicContact CD1-CB 3.67Å; K250-D273 CarbonylContact C-O 3.36Å; G251-D273 WeakPolarHBondContact CA-O 3.46Å; G251-D273 PolarHBondContact N-O 3.3Å; V271-D273 PolarHBondContact O-N 2.83Å; D273-S275 PolarHBondContact O-N 3.12Å |
| 274 | G | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -66.2 | -21.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | M74 E278 | M74-G274 VanDerWaalsContact SD-CA 3.51Å; G274-E278 WeakPolarHBondContact CA-OE2 3.48Å; G274-E278 WeakPolarHBondContact O-CB 3.36Å; G274-E278 PolarHBondContact O-N 2.9Å |
| 275 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | 53.4 | -155.1 | 167.9 | -84.7 | 0 | 0 | 0 | 0 | 113 | T247 C248 R249 G251 Y272 D273 S277 E278 W279 | T247-S275 WeakPolarHBondContact OG1-CA 3.5Å; T247-S275 PolarHBondContact OG1-OG 2.73Å; C248-S275 PolarHBondContact N-OG 2.93Å; C248-S275 VanDerWaalsContact N-OG 3.13Å; C248-S275 WeakPolarHBondContact O-CB 3.38Å; R249-S275 WeakPolarHBondContact O-CB 3.34Å; G251-S275 WeakPolarHBondContact CA-OG 3.42Å; G251-S275 PolarHBondContact N-OG 2.81Å; Y272-S275 VanDerWaalsContact CE1-O 3.23Å; Y272-S275 WeakPolarHBondContact CE1-O 3.3Å; Y272-S275 PolarHBondContact O-N 2.86Å; Y272-S275 PolarHBondContact O-OG 2.53Å; D273-S275 PolarHBondContact O-N 3.12Å; S275-S277 VanDerWaalsContact C-N 3.26Å; S275-S277 PolarHBondContact O-N 3.37Å; S275-E278 PolarHBondContact O-N 3.18Å; S275-W279 VanDerWaalsContact O-CB 3.31Å; S275-W279 WeakPolarHBondContact O-CB 3.32Å; S275-W279 PolarHBondContact O-N 3.41Å |
| 276 | W | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58 | -35.9 | 179.7 | -176.9 | -113.3 | 0 | 0 | 0 | 113.4 | R183 D201 I205 C248 R249 W279 F280 R288 | R183-W276 VanDerWaalsContact NH1-CD1 3.26Å; R183-W276 VanDerWaalsContact NH1-CG 3.29Å; D201-W276 WeakPolarHBondContact O-CZ2 3.45Å; D201-W276 PolarHBondContact O-NE1 3.16Å; I205-W276 HydrophobicContact CG1-CE3 4.09Å; I205-W276 HydrophobicContact CG1-CZ3 4.13Å; C248-W276 WeakPolarHBondContact O-CB 3.36Å; C248-W276 PolarHBondContact O-N 2.7Å; R249-W276 PolarHBondContact O-N 3.16Å; W276-W279 HydrophobicContact CE3-CB 4.4Å; W276-W279 AromaticContact CE3-CD1 3.96Å; W276-W279 HydrophobicContact CE3-CG 4.45Å; W276-W279 AromaticContact CZ3-CD1 3.66Å; W276-W279 PolarHBondContact O-N 2.86Å; W276-F280 AromaticContact CZ2-CD2 3.89Å; W276-F280 HydrophobicContact CZ2-CD2 3.89Å; W276-F280 VanDerWaalsContact O-CB 3.31Å; W276-F280 WeakPolarHBondContact O-CB 3.16Å; W276-F280 PolarHBondContact O-N 2.86Å; W276-R288 HydrophobicContact CH2-CB 3.98Å; W276-R288 HydrophobicContact CH2-CG 3.85Å; W276-R288 HydrophobicContact CZ3-CG 4.17Å |
| 277 | S | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 179.8 | -95.5 | 0 | 0 | 0 | 0 | 112.8 | E72 R249 S275 R281 | E72-S277 WeakPolarHBondContact OE2-CB 3.31Å; E72-S277 PolarHBondContact OE2-OG 2.62Å; R249-S277 WeakPolarHBondContact CD-OG 3.3Å; R249-S277 PolarHBondContact NE-OG 2.64Å; R249-S277 WeakPolarHBondContact O-CB 3.49Å; R249-S277 PolarHBondContact O-N 2.81Å; S275-S277 VanDerWaalsContact C-N 3.26Å; S275-S277 PolarHBondContact O-N 3.37Å; S277-R281 VanDerWaalsContact C-NH1 3.27Å; S277-R281 WeakPolarHBondContact O-CD 3.49Å; S277-R281 WeakPolarHBondContact O-CG 3.43Å; S277-R281 PolarHBondContact O-NH1 3.26Å; S277-R281 PolarHBondContact OG-NH1 2.98Å |
| 278 | E | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -46.1 | 173.4 | 178.5 | 178.7 | -154.9 | 0 | 0 | 110.4 | Y71 Y272 G274 S275 F280 R281 R282 | Y71-E278 HydrophobicContact CD1-CB 4.04Å; Y71-E278 HydrophobicContact CD1-CG 4.24Å; Y71-E278 HydrophobicContact CD2-CB 4.24Å; Y71-E278 HydrophobicContact CD2-CG 3.97Å; Y71-E278 HydrophobicContact CE1-CB 4.35Å; Y71-E278 HydrophobicContact CE1-CG 4.12Å; Y71-E278 HydrophobicContact CE2-CG 3.83Å; Y71-E278 HydrophobicContact CG-CB 4Å; Y71-E278 HydrophobicContact CG-CG 4.19Å; Y272-E278 WeakPolarHBondContact CE2-OE2 3.03Å; Y272-E278 PolarHBondContact OH-OE2 3.46Å; G274-E278 WeakPolarHBondContact CA-OE2 3.48Å; G274-E278 WeakPolarHBondContact O-CB 3.36Å; G274-E278 PolarHBondContact O-N 2.9Å; S275-E278 PolarHBondContact O-N 3.18Å; E278-F280 PolarHBondContact O-N 3.45Å; E278-R281 PolarHBondContact O-N 3.47Å; E278-R281 VanDerWaalsContact O-N 3.12Å; E278-R282 VanDerWaalsContact CG-CD 3.43Å; E278-R282 HydrophobicContact CG-CG 4.09Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 WeakPolarHBondContact OE1-CD 3.31Å; E278-R282 IonicContact OE1-CZ 3.54Å; E278-R282 IonicContact OE1-NE 3.65Å; E278-R282 IonicContact OE1-NH1 3.15Å; E278-R282 PolarHBondContact OE1-NH1 3.26Å |
| 279 | W | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | -176.5 | -171 | -93.3 | 0 | 0 | 0 | 112.4 | Y165 V168 L169 L172 I205 Y272 S275 W276 R281 R282 A283 S287 | Y165-W279 AromaticContact CD2-CE3 3.82Å; Y165-W279 HydrophobicContact CD2-CE3 3.82Å; Y165-W279 AromaticContact CD2-CZ3 4Å; Y165-W279 HydrophobicContact CD2-CZ3 4Å; Y165-W279 AromaticContact CE2-CE3 3.99Å; Y165-W279 HydrophobicContact CE2-CE3 3.99Å; Y165-W279 HydrophobicContact CE2-CZ3 4.02Å; V168-W279 HydrophobicContact CB-CZ3 3.91Å; V168-W279 HydrophobicContact CG1-CE3 4.11Å; V168-W279 HydrophobicContact CG1-CH2 4.06Å; V168-W279 HydrophobicContact CG1-CZ3 3.55Å; L169-W279 HydrophobicContact CB-CH2 4.27Å; L169-W279 HydrophobicContact CB-CZ3 4.33Å; L169-W279 HydrophobicContact CD1-CH2 3.99Å; L172-W279 HydrophobicContact CD1-CH2 3.86Å; L172-W279 HydrophobicContact CD1-CZ2 3.82Å; L172-W279 HydrophobicContact CD2-CH2 4.4Å; L172-W279 HydrophobicContact CD2-CZ2 4.43Å; L172-W279 HydrophobicContact CG-CH2 4.16Å; L172-W279 HydrophobicContact CG-CZ2 4.43Å; I205-W279 HydrophobicContact CD1-CB 4.18Å; I205-W279 HydrophobicContact CD1-CD2 3.59Å; I205-W279 HydrophobicContact CD1-CE3 3.9Å; I205-W279 HydrophobicContact CD1-CG 3.73Å; I205-W279 HydrophobicContact CG1-CB 4.45Å; I205-W279 HydrophobicContact CG1-CD2 3.8Å; I205-W279 HydrophobicContact CG1-CG 3.72Å; I205-W279 HydrophobicContact CG1-CZ2 4.43Å; I205-W279 HydrophobicContact CG2-CD2 4.43Å; I205-W279 HydrophobicContact CG2-CH2 4.08Å; I205-W279 HydrophobicContact CG2-CZ2 3.56Å; Y272-W279 HydrophobicContact CE1-CB 4.2Å; Y272-W279 HydrophobicContact CE1-CE3 4.04Å; Y272-W279 PolarHBondContact OH-N 3.04Å; S275-W279 VanDerWaalsContact O-CB 3.31Å; S275-W279 WeakPolarHBondContact O-CB 3.32Å; S275-W279 PolarHBondContact O-N 3.41Å; W276-W279 HydrophobicContact CE3-CB 4.4Å; W276-W279 AromaticContact CE3-CD1 3.96Å; W276-W279 HydrophobicContact CE3-CG 4.45Å; W276-W279 AromaticContact CZ3-CD1 3.66Å; W276-W279 PolarHBondContact O-N 2.86Å; W279-R281 PolarHBondContact O-N 2.87Å; W279-R282 PolarHBondContact O-N 3.44Å; W279-A283 HydrophobicContact CD2-CB 3.6Å; W279-A283 HydrophobicContact CE3-CB 4.21Å; W279-A283 HydrophobicContact CG-CB 3.86Å; W279-A283 HydrophobicContact CH2-CB 4.45Å; W279-A283 HydrophobicContact CZ2-CB 3.87Å; W279-A283 WeakPolarHBondContact O-CA 3.38Å; W279-A283 WeakPolarHBondContact O-CB 3.43Å; W279-A283 PolarHBondContact O-N 3.33Å; W279-S287 PolarHBondContact NE1-OG 3.34Å |
| 280 | F | 97.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -34.2 | -178.9 | -177.5 | -92 | 0 | 0 | 0 | 112.6 | G199 L200 D201 W276 E278 R288 | G199-F280 VanDerWaalsContact O-CE1 3.23Å; G199-F280 WeakPolarHBondContact O-CE1 3.18Å; L200-F280 HydrophobicContact CD1-CB 3.46Å; L200-F280 VanDerWaalsContact CD1-CB 3.46Å; L200-F280 HydrophobicContact CD1-CD1 3.47Å; L200-F280 VanDerWaalsContact CD1-CD1 3.47Å; L200-F280 HydrophobicContact CD1-CD2 4.35Å; L200-F280 HydrophobicContact CD1-CE1 4.31Å; L200-F280 HydrophobicContact CD1-CG 3.49Å; L200-F280 VanDerWaalsContact CD1-CG 3.49Å; D201-F280 HydrophobicContact CB-CD2 4.46Å; D201-F280 HydrophobicContact CB-CE2 3.55Å; D201-F280 HydrophobicContact CB-CZ 3.85Å; W276-F280 AromaticContact CZ2-CD2 3.89Å; W276-F280 HydrophobicContact CZ2-CD2 3.89Å; W276-F280 VanDerWaalsContact O-CB 3.31Å; W276-F280 WeakPolarHBondContact O-CB 3.16Å; W276-F280 PolarHBondContact O-N 2.86Å; E278-F280 PolarHBondContact O-N 3.45Å; F280-R288 VanDerWaalsContact CE2-NH1 3.3Å; F280-R288 PolarHBondContact O-NH1 2.85Å |
| 281 | R | 96.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 37.1 Ų | 37.1 | 46% | 0.457 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -82 | -29.8 | -177.8 | -67.6 | 175.9 | 178.9 | 92.6 | -7.1 | 113.1 | Y71 S277 E278 W279 | Y71-R281 HydrophobicContact CE1-CB 4.38Å; S277-R281 VanDerWaalsContact C-NH1 3.27Å; S277-R281 WeakPolarHBondContact O-CD 3.49Å; S277-R281 WeakPolarHBondContact O-CG 3.43Å; S277-R281 PolarHBondContact O-NH1 3.26Å; S277-R281 PolarHBondContact OG-NH1 2.98Å; E278-R281 PolarHBondContact O-N 3.47Å; E278-R281 VanDerWaalsContact O-N 3.12Å; W279-R281 PolarHBondContact O-N 2.87Å |
| 282 | R | 97.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 38.7 Ų | 38.7 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -104.9 | -38.7 | -174.9 | -62.3 | -176.4 | 71.4 | -175.1 | -6.9 | 114.2 | Y71 Y165 E166 E278 W279 | Y71-R282 HydrophobicContact CE1-CG 4.47Å; Y71-R282 VanDerWaalsContact OH-CD 3.24Å; Y71-R282 WeakPolarHBondContact OH-CD 3.48Å; Y71-R282 VanDerWaalsContact OH-CG 3.31Å; Y71-R282 WeakPolarHBondContact OH-CG 3.42Å; Y165-R282 VanDerWaalsContact CD1-NH2 3.32Å; Y165-R282 HydrophobicContact CD2-CB 4.07Å; Y165-R282 HydrophobicContact CE2-CB 3.76Å; Y165-R282 PolarHBondContact OH-O 3.5Å; E166-R282 IonicContact OE1-CZ 3.04Å; E166-R282 IonicContact OE1-NH1 3.62Å; E166-R282 PolarHBondContact OE1-NH1 3Å; E166-R282 IonicContact OE1-NH2 3.82Å; E166-R282 PolarHBondContact OE1-NH2 3.15Å; E278-R282 VanDerWaalsContact CG-CD 3.43Å; E278-R282 HydrophobicContact CG-CG 4.09Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 WeakPolarHBondContact OE1-CD 3.31Å; E278-R282 IonicContact OE1-CZ 3.54Å; E278-R282 IonicContact OE1-NE 3.65Å; E278-R282 IonicContact OE1-NH1 3.15Å; E278-R282 PolarHBondContact OE1-NH1 3.26Å; W279-R282 PolarHBondContact O-N 3.44Å |
| 283 | A | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -75.1 | 149.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y165 W279 S287 R288 | Y165-A283 HydrophobicContact CE2-CB 3.91Å; W279-A283 HydrophobicContact CD2-CB 3.6Å; W279-A283 HydrophobicContact CE3-CB 4.21Å; W279-A283 HydrophobicContact CG-CB 3.86Å; W279-A283 HydrophobicContact CH2-CB 4.45Å; W279-A283 HydrophobicContact CZ2-CB 3.87Å; W279-A283 WeakPolarHBondContact O-CA 3.38Å; W279-A283 WeakPolarHBondContact O-CB 3.43Å; W279-A283 PolarHBondContact O-N 3.33Å; A283-S287 WeakPolarHBondContact CB-OG 3.41Å; A283-R288 PolarHBondContact O-NH2 2.89Å |
| 284 | P | 95.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | trans | -68.3 | 146.5 | 177.7 | 34.3 | -39.2 | 0 | 0 | 0 | 110.6 | E286 S287 | P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 VanDerWaalsContact CB-OE1 3.3Å; P284-E286 WeakPolarHBondContact CB-OE1 3.28Å; P284-E286 WeakPolarHBondContact CB-OE2 3.23Å; P284-E286 PolarHBondContact O-N 2.71Å; P284-S287 WeakPolarHBondContact O-CB 3.35Å; P284-S287 PolarHBondContact O-N 2.93Å; P284-S287 VanDerWaalsContact O-N 3.08Å; P284-S287 PolarHBondContact O-OG 2.97Å | ||
| 285 | P | 94.5 | Very high | 88.7 | Confident | 90 Ų | 90 | 57 Ų | 57 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -53.6 | -36.6 | -172.7 | -28.3 | 36 | 0 | 0 | 0 | 115.5 | S287 R288 | P285-S287 PolarHBondContact O-N 3.13Å; P285-S287 VanDerWaalsContact O-N 3.15Å; P285-R288 WeakPolarHBondContact O-CB 3.48Å; P285-R288 PolarHBondContact O-N 2.67Å |
| 286 | E | 94.6 | Very high | 85.8 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -65.1 | -16.3 | -179.6 | 65.5 | -86.2 | -163.2 | 0 | 0 | 114.1 | R206 P284 R288 | R206-E286 PolarHBondContact NH1-O 3.36Å; P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 VanDerWaalsContact CB-OE1 3.3Å; P284-E286 WeakPolarHBondContact CB-OE1 3.28Å; P284-E286 WeakPolarHBondContact CB-OE2 3.23Å; P284-E286 PolarHBondContact O-N 2.71Å; E286-R288 VanDerWaalsContact C-N 3.26Å |
| 287 | S | 96.4 | Very high | 82.7 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -82.8 | -4.2 | 174.4 | 75.1 | 0 | 0 | 0 | 0 | 113.2 | R206 W279 A283 P284 P285 | R206-S287 PolarHBondContact N-O 3.03Å; W279-S287 PolarHBondContact NE1-OG 3.34Å; A283-S287 WeakPolarHBondContact CB-OG 3.41Å; P284-S287 WeakPolarHBondContact O-CB 3.35Å; P284-S287 PolarHBondContact O-N 2.93Å; P284-S287 VanDerWaalsContact O-N 3.08Å; P284-S287 PolarHBondContact O-OG 2.97Å; P285-S287 PolarHBondContact O-N 3.13Å; P285-S287 VanDerWaalsContact O-N 3.15Å |
| 288 | R | 96.6 | Very high | 82 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134 | -176.3 | -60.6 | 175.7 | -107 | 177.1 | -4.4 | 110 | H204 W276 F280 A283 P285 E286 | H204-R288 WeakPolarHBondContact O-CA 3.35Å; W276-R288 HydrophobicContact CH2-CB 3.98Å; W276-R288 HydrophobicContact CH2-CG 3.85Å; W276-R288 HydrophobicContact CZ3-CG 4.17Å; F280-R288 VanDerWaalsContact CE2-NH1 3.3Å; F280-R288 PolarHBondContact O-NH1 2.85Å; A283-R288 PolarHBondContact O-NH2 2.89Å; P285-R288 WeakPolarHBondContact O-CB 3.48Å; P285-R288 PolarHBondContact O-N 2.67Å; E286-R288 VanDerWaalsContact C-N 3.26Å |
| 289 | V | 96.3 | Very high | 81.1 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.7 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 109 | G203 H204 R206 | G203-V289 CarbonylContact C-O 3.48Å; G203-V289 WeakPolarHBondContact CA-O 3.38Å; H204-V289 PolarHBondContact N-O 3Å; H204-V289 PolarHBondContact ND1-O 3.31Å; H204-V289 PolarHBondContact O-N 2.92Å; R206-V289 HydrophobicContact CB-CG2 4.11Å; R206-V289 HydrophobicContact CG-CG2 4.27Å |
| 290 | S | 95.1 | Very high | 80.2 | Confident | 27 Ų | 27 | 85.2 Ų | 85.2 | 19% | 0.189 | 46% | 0.455 | C | S | . | . | trans | -152.5 | 130.8 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | G190 S202 | G190-S290 WeakPolarHBondContact CA-OG 2.96Å; S202-S290 WeakPolarHBondContact O-CB 3.47Å; S202-S290 PolarHBondContact O-OG 3.15Å | ||
| 291 | Q | 89.9 | Confident | 79.2 | Confident | 99 Ų | 99 | 88.5 Ų | 88.5 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -71.9 | -30.8 | 179.6 | -67.1 | -179 | -0.9 | 0 | 0 | 112.2 | L189 T191 K293 S294 | L189-Q291 WeakPolarHBondContact O-CB 3.48Å; L189-Q291 PolarHBondContact O-N 3.46Å; T191-Q291 HydrophobicContact CG2-CB 4.28Å; Q291-K293 PolarHBondContact O-N 2.73Å; Q291-K293 VanDerWaalsContact O-N 3.16Å; Q291-S294 PolarHBondContact O-N 3.25Å; Q291-S294 PolarHBondContact O-OG 3.47Å |
| 292 | G | 71.6 | Confident | 78.1 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -69.4 | -9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 293 | K | 60 | Low | 76.8 | Confident | 125 Ų | 125 | 86.1 Ų | 86.1 | 54% | 0.543 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -90.8 | -21.7 | 175.1 | -69.7 | -168.3 | 178.3 | -175 | 0 | 113.6 | D201 Q291 E295 | D201-K293 WeakPolarHBondContact OD2-CE 3.11Å; D201-K293 IonicContact OD2-NZ 2.88Å; D201-K293 PolarHBondContact OD2-NZ 2.77Å; Q291-K293 PolarHBondContact O-N 2.73Å; Q291-K293 VanDerWaalsContact O-N 3.16Å; K293-E295 VanDerWaalsContact C-N 3.32Å; K293-E295 PolarHBondContact O-N 3.16Å |
| 294 | S | 51.1 | Low | 75.3 | Confident | 90 Ų | 90 | 92.1 Ų | 92.1 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.3 | -178.9 | 6.6 | 0 | 0 | 0 | 0 | 114.2 | Q291 | Q291-S294 PolarHBondContact O-N 3.25Å; Q291-S294 PolarHBondContact O-OG 3.47Å |
| 295 | E | 41.6 | Very low | 73.8 | Confident | 175 Ų | 175 | 95.5 Ų | 95.5 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 1.2 | -177.9 | -66.9 | -177.9 | 161 | 0 | 0 | 114 | K293 | K293-E295 VanDerWaalsContact C-N 3.32Å; K293-E295 PolarHBondContact O-N 3.16Å |
| 296 | K | 37.7 | Very low | 72 | Confident | 192 Ų | 192 | 96 Ų | 96 | 84% | 0.835 | 53% | 0.528 | S | S | * | . | trans | -109.7 | 15.7 | 179 | -71 | -170.3 | 177.6 | -178.8 | 0 | 114.1 | ||||
| 297 | A | 33.9 | Very low | 70 | Confident | 157 Ų | 157 | 93 Ų | 93 | 100% | 1.298 | 52% | 0.522 | S | S | * | . | trans | -105.5 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 297 of 297 residues in 767.6 ms
(Link to these results)