| 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 | 44.6 | Very low | 64.2 | Low | 214 Ų | 214 | 74.8 Ų | 74.8 | 100% | 1.054 | 42% | 0.42 | S | S | * | . | 0 | 135.2 | 0 | -78.8 | -179 | -100.2 | 0 | 0 | 107.2 | V3 | M1-V3 PolarHBondContact O-N 3.23Š| |||
| 2 | S | 49.3 | Very low | 66.6 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | trans | -70.5 | 101.8 | 170.6 | 60.5 | 0 | 0 | 0 | 0 | 107.5 | V4 | S2-V4 PolarHBondContact O-N 3.48Š| ||
| 3 | V | 54 | Low | 68.5 | Low | 40 Ų | 40 | 74.7 Ų | 74.7 | 24% | 0.242 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -68.5 | -19 | -174.2 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | M1 M30 L31 W148 | M1-V3 PolarHBondContact O-N 3.23Å; V3-M30 HydrophobicContact CG1-CB 4.09Å; V3-L31 HydrophobicContact CB-CD1 4Å; V3-L31 HydrophobicContact CG1-CD1 3.39Å; V3-L31 HydrophobicContact CG1-CG 3.71Å; V3-L31 HydrophobicContact CG2-CD1 4.32Å; V3-W148 HydrophobicContact CB-CD2 4.1Å; V3-W148 HydrophobicContact CB-CE3 3.97Å; V3-W148 HydrophobicContact CB-CZ3 4.3Å; V3-W148 HydrophobicContact CG2-CB 4.09Å; V3-W148 HydrophobicContact CG2-CD2 3.85Å; V3-W148 HydrophobicContact CG2-CE3 4.03Å; V3-W148 HydrophobicContact CG2-CG 3.88Å |
| 4 | V | 55.3 | Low | 70.4 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -106.8 | 95 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | S2 L6 L7 F101 W148 | S2-V4 PolarHBondContact O-N 3.48Å; V4-L6 PolarHBondContact O-N 3.06Å; V4-L7 HydrophobicContact CG1-CD1 4.14Å; V4-L7 HydrophobicContact CG1-CD2 3.84Å; V4-L7 HydrophobicContact CG1-CG 3.55Å; V4-F101 HydrophobicContact CB-CE2 4.14Å; V4-F101 HydrophobicContact CG1-CE2 3.98Å; V4-F101 HydrophobicContact CG2-CD2 4.06Å; V4-F101 HydrophobicContact CG2-CE2 3.62Å; V4-F101 HydrophobicContact CG2-CZ 4.17Å; V4-W148 HydrophobicContact CG2-CH2 3.46Å; V4-W148 VanDerWaalsContact CG2-CH2 3.46Å; V4-W148 HydrophobicContact CG2-CZ2 4.09Å; V4-W148 HydrophobicContact CG2-CZ3 4.13Å |
| 5 | T | 54.9 | Low | 72 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | trans | -85.2 | 48.6 | -170.4 | -36.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | L | 55.5 | Low | 73.6 | Confident | 143 Ų | 143 | 69 Ų | 69 | 75% | 0.749 | 39% | 0.389 | S | S | * | . | trans | 74.3 | 109.6 | -167.1 | -55.4 | 122.4 | 0 | 0 | 0 | 112.3 | V4 N8 | V4-L6 PolarHBondContact O-N 3.06Å; L6-N8 PolarHBondContact O-N 2.94Å | ||
| 7 | L | 64 | Low | 74.9 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | trans | -74.1 | 121.4 | 167 | -64.7 | 173.1 | 0 | 0 | 0 | 108.4 | V4 F29 W35 L102 | V4-L7 HydrophobicContact CG1-CD1 4.14Å; V4-L7 HydrophobicContact CG1-CD2 3.84Å; V4-L7 HydrophobicContact CG1-CG 3.55Å; L7-F29 HydrophobicContact CD2-CD1 3.99Å; L7-F29 HydrophobicContact CD2-CE1 3.33Å; L7-F29 HydrophobicContact CD2-CE2 4.29Å; L7-F29 HydrophobicContact CD2-CZ 3.55Å; L7-W35 HydrophobicContact CD1-CH2 3.24Å; L7-W35 HydrophobicContact CD1-CZ2 3.24Å; L7-W35 HydrophobicContact CD2-CZ2 4.46Å; L7-W35 HydrophobicContact CG-CZ2 4.47Å; L7-L102 HydrophobicContact CD1-CD1 4.42Å; L7-L102 HydrophobicContact CD1-CD2 3.38Å; L7-L102 HydrophobicContact CD1-CG 4.47Å; L7-L102 HydrophobicContact CG-CD2 4.28Å | ||
| 8 | N | 70.1 | Confident | 76.1 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.5 | 161.9 | -168.6 | 8.6 | 0 | 0 | 0 | 107.7 | L6 S27 | L6-N8 PolarHBondContact O-N 2.94Å; N8-S27 PolarHBondContact O-N 3.49Å |
| 9 | T | 79.5 | Confident | 77.2 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.5 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | F24 V25 F26 L92 L104 Y106 | T9-F24 HydrophobicContact CG2-CB 4.21Å; T9-F24 HydrophobicContact CG2-CD1 4.21Å; T9-V25 CarbonylContact C-O 3.58Å; T9-V25 VanDerWaalsContact CA-O 3.25Å; T9-V25 WeakPolarHBondContact CA-O 3.49Å; T9-F26 HydrophobicContact CG2-CD1 3.96Å; T9-F26 HydrophobicContact CG2-CE1 3.88Å; T9-F26 HydrophobicContact CG2-CG 4.47Å; T9-F26 HydrophobicContact CG2-CZ 4.34Å; T9-F26 WeakPolarHBondContact OG1-CD1 3.49Å; T9-F26 WeakPolarHBondContact OG1-CE1 3.39Å; T9-L92 HydrophobicContact CG2-CD2 4.29Å; T9-L104 HydrophobicContact CG2-CD2 4.28Å; T9-Y106 VanDerWaalsContact CB-OH 3.31Å; T9-Y106 WeakPolarHBondContact CB-OH 3.3Å; T9-Y106 WeakPolarHBondContact CG2-OH 3.25Å; T9-Y106 PolarHBondContact O-OH 3.43Å |
| 10 | T | 87.8 | Confident | 78.1 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.8 | 173.6 | -54.2 | 0 | 0 | 0 | 0 | 109.1 | L12 V25 | T10-L12 HydrophobicContact CG2-CD2 4.35Å; T10-V25 PolarHBondContact N-O 3.42Å; T10-V25 PolarHBondContact O-N 2.96Å |
| 11 | V | 91.7 | Very high | 79 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.8 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | N14 F24 Y106 I134 D136 | V11-N14 HydrophobicContact CG1-CB 4.04Å; V11-F24 HydrophobicContact CG1-CE1 4.31Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.97Å; V11-Y106 HydrophobicContact CG2-CD1 4.22Å; V11-Y106 HydrophobicContact CG2-CE1 3.79Å; V11-Y106 HydrophobicContact CG2-CE2 4.49Å; V11-I134 HydrophobicContact CG1-CB 4.13Å; V11-I134 HydrophobicContact CG1-CD1 3.63Å; V11-I134 HydrophobicContact CG1-CG1 4.42Å; V11-I134 HydrophobicContact CG1-CG2 4.29Å; V11-I134 HydrophobicContact CG2-CG2 4.06Å; V11-D136 HydrophobicContact CB-CB 4Å; V11-D136 HydrophobicContact CG2-CB 3.77Å |
| 12 | L | 92.3 | Very high | 81.4 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 166.8 | 171.6 | -57.3 | -178.3 | 0 | 0 | 0 | 109.7 | T10 K23 V25 | T10-L12 HydrophobicContact CG2-CD2 4.35Å; L12-K23 HydrophobicContact CB-CB 3.8Å; L12-K23 PolarHBondContact N-O 3.18Å; L12-V25 HydrophobicContact CD1-CG2 3.4Å; L12-V25 HydrophobicContact CD2-CG2 4.3Å; L12-V25 HydrophobicContact CG-CG2 3.73Å |
| 13 | N | 91.1 | Very high | 83.5 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 56.4 | 53.3 | -179.9 | -164 | 40.6 | 0 | 0 | 0 | 111.4 | A16 P21 | N13-A16 WeakPolarHBondContact ND2-CB 3.35Å; N13-A16 WeakPolarHBondContact O-CB 3.21Å; N13-P21 PolarHBondContact ND2-O 3.15Å |
| 14 | N | 95 | Very high | 85.3 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | trans | -137.1 | 120.8 | -175.2 | -177.5 | 35.5 | 0 | 0 | 0 | 110.3 | V11 K133 I134 | V11-N14 HydrophobicContact CG1-CB 4.04Å; N14-K133 WeakPolarHBondContact OD1-CA 3.29Å; N14-I134 PolarHBondContact ND2-O 2.7Å; N14-I134 PolarHBondContact OD1-N 2.89Å | ||
| 15 | P | 95.2 | Very high | 86.8 | Confident | 85 Ų | 85 | 48 Ų | 48 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | S | Bend | cis | -68.2 | 164.1 | -6.9 | 31.9 | -36 | 0 | 0 | 0 | 112.1 | R132 K133 | P15-R132 WeakPolarHBondContact CA-O 3.07Å; P15-K133 HydrophobicContact CB-CB 4.23Å; P15-K133 HydrophobicContact CB-CG 4.39Å |
| 16 | A | 97 | Very high | 88.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N13 S20 S131 R132 | N13-A16 WeakPolarHBondContact ND2-CB 3.35Å; N13-A16 WeakPolarHBondContact O-CB 3.21Å; A16-S20 WeakPolarHBondContact CB-OG 3.35Å; A16-S131 PolarHBondContact O-OG 3.22Å; A16-R132 PolarHBondContact N-O 2.8Å; A16-R132 PolarHBondContact O-N 3.46Å |
| 17 | P | 97 | Very high | 89 | Confident | 74 Ų | 74 | 38 Ų | 38 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 145.3 | 172.8 | -25.2 | 35 | 0 | 0 | 0 | 111.6 | L19 S20 | P17-L19 VanDerWaalsContact C-N 3.29Å; P17-L19 PolarHBondContact O-N 3.48Å; P17-S20 VanDerWaalsContact O-CB 3.26Å; P17-S20 WeakPolarHBondContact O-CB 3.25Å; P17-S20 PolarHBondContact O-N 2.97Å; P17-S20 VanDerWaalsContact O-N 3.08Å; P17-S20 PolarHBondContact O-OG 3.42Å |
| 18 | F | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -44.6 | -176.6 | -177.9 | -84.5 | 0 | 0 | 0 | 112.5 | S20 E74 P76 I79 N110 F127 L130 R132 | F18-S20 PolarHBondContact O-N 3.33Å; F18-S20 VanDerWaalsContact O-N 3.12Å; F18-E74 HydrophobicContact CE1-CG 4.07Å; F18-E74 WeakPolarHBondContact CE1-OE1 3.15Å; F18-E74 WeakPolarHBondContact CE2-OE1 3.48Å; F18-E74 HydrophobicContact CZ-CG 3.72Å; F18-E74 WeakPolarHBondContact CZ-OE1 3.47Å; F18-P76 HydrophobicContact CE1-CG 4.25Å; F18-I79 HydrophobicContact CE1-CD1 4.36Å; F18-I79 HydrophobicContact CZ-CD1 3.6Å; F18-N110 HydrophobicContact CD2-CB 4.43Å; F18-F127 HydrophobicContact CD1-CB 4.09Å; F18-F127 AromaticContact CD1-CD1 3.76Å; F18-F127 HydrophobicContact CD1-CD1 3.76Å; F18-F127 HydrophobicContact CD1-CG 4.4Å; F18-F127 HydrophobicContact CE1-CB 4.39Å; F18-F127 AromaticContact CE1-CD1 3.37Å; F18-F127 HydrophobicContact CE1-CD1 3.37Å; F18-F127 AromaticContact CE1-CE1 3.98Å; F18-F127 HydrophobicContact CE1-CE1 3.98Å; F18-F127 HydrophobicContact CE1-CG 4.25Å; F18-F127 HydrophobicContact CE2-CD1 4.18Å; F18-F127 HydrophobicContact CE2-CE1 4.45Å; F18-F127 HydrophobicContact CG-CD1 4.35Å; F18-F127 AromaticContact CZ-CD1 3.6Å; F18-F127 HydrophobicContact CZ-CD1 3.6Å; F18-F127 AromaticContact CZ-CE1 3.81Å; F18-F127 HydrophobicContact CZ-CE1 3.81Å; F18-L130 HydrophobicContact CB-CB 3.68Å; F18-L130 VanDerWaalsContact CB-O 3.26Å; F18-L130 WeakPolarHBondContact CB-O 3.38Å; F18-L130 HydrophobicContact CD2-CB 4.17Å; F18-L130 HydrophobicContact CD2-CD1 4.33Å; F18-L130 HydrophobicContact CG-CB 4.09Å; F18-L130 PolarHBondContact N-O 3.4Å; F18-R132 PolarHBondContact O-NH1 2.54Å |
| 19 | L | 96.1 | Very high | 89 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 37% | 0.372 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 26.1 | -179.1 | -56.7 | 174.8 | 0 | 0 | 0 | 114 | P17 P76 F127 E128 | P17-L19 VanDerWaalsContact C-N 3.29Å; P17-L19 PolarHBondContact O-N 3.48Å; L19-P76 HydrophobicContact CD2-CG 3.51Å; L19-F127 HydrophobicContact CD2-CB 4.4Å; L19-E128 HydrophobicContact CD1-CG 3.97Å |
| 20 | S | 96.1 | Very high | 88.2 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -102.1 | 158.8 | 176 | 71.5 | 0 | 0 | 0 | 0 | 111 | A16 P17 F18 R132 | A16-S20 WeakPolarHBondContact CB-OG 3.35Å; P17-S20 VanDerWaalsContact O-CB 3.26Å; P17-S20 WeakPolarHBondContact O-CB 3.25Å; P17-S20 PolarHBondContact O-N 2.97Å; P17-S20 VanDerWaalsContact O-N 3.08Å; P17-S20 PolarHBondContact O-OG 3.42Å; F18-S20 PolarHBondContact O-N 3.33Å; F18-S20 VanDerWaalsContact O-N 3.12Å; S20-R132 PolarHBondContact O-NH1 3.43Å; S20-R132 PolarHBondContact O-NH2 2.87Å; S20-R132 PolarHBondContact OG-NH2 2.96Å |
| 21 | P | 96.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 37.3 Ų | 37.3 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 148.9 | 175.3 | 28.6 | -34.7 | 0 | 0 | 0 | 112.1 | N13 E70 V71 R132 | N13-P21 PolarHBondContact ND2-O 3.15Å; P21-E70 HydrophobicContact CB-CG 4Å; P21-E70 HydrophobicContact CG-CG 4.41Å; P21-V71 CarbonylContact C-O 3.55Å; P21-V71 VanDerWaalsContact CA-O 3.25Å; P21-V71 WeakPolarHBondContact CA-O 3.39Å; P21-V71 VanDerWaalsContact CB-O 3.3Å; P21-V71 WeakPolarHBondContact CB-O 3.43Å; P21-R132 PolarHBondContact O-NH2 3.42Å; P21-R132 VanDerWaalsContact O-NH2 3.12Å |
| 22 | Y | 95.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 147 | 169.4 | -59.3 | -88.5 | 0 | 0 | 0 | 110 | F24 L52 E70 V71 E74 I90 L108 R132 I134 | Y22-F24 HydrophobicContact CD1-CZ 4.28Å; Y22-F24 HydrophobicContact CG-CE2 4.23Å; Y22-F24 HydrophobicContact CG-CZ 4.42Å; Y22-L52 HydrophobicContact CD2-CD1 3.79Å; Y22-L52 HydrophobicContact CE2-CD1 3.5Å; Y22-E70 WeakPolarHBondContact O-CA 3.48Å; Y22-V71 PolarHBondContact N-O 3.03Å; Y22-V71 PolarHBondContact O-N 2.86Å; Y22-E74 WeakPolarHBondContact CE2-OE2 3.42Å; Y22-E74 VanDerWaalsContact OH-CD 3.31Å; Y22-E74 PolarHBondContact OH-OE1 3.11Å; Y22-E74 PolarHBondContact OH-OE2 2.99Å; Y22-I90 HydrophobicContact CD1-CD1 3.69Å; Y22-I90 HydrophobicContact CD2-CD1 4Å; Y22-I90 HydrophobicContact CE1-CD1 3.59Å; Y22-I90 HydrophobicContact CE2-CD1 3.92Å; Y22-I90 HydrophobicContact CG-CD1 3.89Å; Y22-L108 HydrophobicContact CE1-CD1 4.41Å; Y22-R132 PolarHBondContact OH-NH1 3.36Å; Y22-I134 HydrophobicContact CD1-CD1 3.78Å; Y22-I134 HydrophobicContact CE1-CD1 4.01Å |
| 23 | K | 93.8 | Very high | 86.5 | Confident | 59 Ų | 59 | 38 Ų | 38 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 110.7 | 177.4 | -65.4 | -170.4 | -171.1 | -136.3 | 0 | 109.5 | L12 V68 L69 E70 | L12-K23 HydrophobicContact CB-CB 3.8Å; L12-K23 PolarHBondContact N-O 3.18Å; K23-V68 HydrophobicContact CB-CG1 4.41Å; K23-L69 WeakPolarHBondContact CA-O 3.48Å; K23-E70 WeakPolarHBondContact CE-OE2 3.49Å; K23-E70 HydrophobicContact CG-CG 4.25Å; K23-E70 VanDerWaalsContact NZ-CD 3.25Å; K23-E70 IonicContact NZ-OE1 3.39Å; K23-E70 PolarHBondContact NZ-OE1 2.81Å; K23-E70 IonicContact NZ-OE2 2.7Å; K23-E70 PolarHBondContact NZ-OE2 2.84Å |
| 24 | F | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.1 | 177.5 | -59.3 | -78 | 0 | 0 | 0 | 109.3 | T9 V11 Y22 F26 V37 L69 V71 I90 L92 Y106 I134 | T9-F24 HydrophobicContact CG2-CB 4.21Å; T9-F24 HydrophobicContact CG2-CD1 4.21Å; V11-F24 HydrophobicContact CG1-CE1 4.31Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.97Å; Y22-F24 HydrophobicContact CD1-CZ 4.28Å; Y22-F24 HydrophobicContact CG-CE2 4.23Å; Y22-F24 HydrophobicContact CG-CZ 4.42Å; F24-F26 HydrophobicContact CB-CD2 4.12Å; F24-F26 HydrophobicContact CB-CE2 3.56Å; F24-F26 HydrophobicContact CB-CZ 4.09Å; F24-V37 HydrophobicContact CE2-CG1 4.22Å; F24-L69 HydrophobicContact CB-CB 4.41Å; F24-L69 PolarHBondContact N-O 2.81Å; F24-L69 PolarHBondContact O-N 3.11Å; F24-V71 HydrophobicContact CD2-CG2 4.47Å; F24-I90 HydrophobicContact CE2-CD1 4.19Å; F24-I90 HydrophobicContact CZ-CD1 3.86Å; F24-I90 HydrophobicContact CZ-CG1 4.37Å; F24-I90 HydrophobicContact CZ-CG2 4.49Å; F24-L92 HydrophobicContact CB-CD2 4.3Å; F24-L92 HydrophobicContact CD1-CD2 3.73Å; F24-L92 HydrophobicContact CD2-CD2 4.03Å; F24-L92 HydrophobicContact CE1-CD1 4.16Å; F24-L92 HydrophobicContact CE1-CD2 3.99Å; F24-L92 HydrophobicContact CE2-CD2 4.26Å; F24-L92 HydrophobicContact CG-CD2 3.75Å; F24-L92 HydrophobicContact CZ-CD1 4.11Å; F24-L92 HydrophobicContact CZ-CD2 4.25Å; F24-Y106 HydrophobicContact CE1-CE2 4.45Å; F24-I134 HydrophobicContact CE1-CD1 4.31Å; F24-I134 HydrophobicContact CZ-CD1 4.3Å |
| 25 | V | 87.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.7 | 169.9 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | T9 T10 L12 Q66 F67 V68 | T9-V25 CarbonylContact C-O 3.58Å; T9-V25 VanDerWaalsContact CA-O 3.25Å; T9-V25 WeakPolarHBondContact CA-O 3.49Å; T10-V25 PolarHBondContact N-O 3.42Å; T10-V25 PolarHBondContact O-N 2.96Å; L12-V25 HydrophobicContact CD1-CG2 3.4Å; L12-V25 HydrophobicContact CD2-CG2 4.3Å; L12-V25 HydrophobicContact CG-CG2 3.73Å; V25-Q66 HydrophobicContact CG1-CB 4.18Å; V25-F67 VanDerWaalsContact CA-O 3.3Å; V25-F67 WeakPolarHBondContact CA-O 3.35Å; V25-V68 HydrophobicContact CG2-CG2 4.17Å |
| 26 | F | 81.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150.5 | 170.2 | -55.4 | -102 | 0 | 0 | 0 | 110.5 | T9 F24 F29 W35 Q66 F67 L69 L92 | T9-F26 HydrophobicContact CG2-CD1 3.96Å; T9-F26 HydrophobicContact CG2-CE1 3.88Å; T9-F26 HydrophobicContact CG2-CG 4.47Å; T9-F26 HydrophobicContact CG2-CZ 4.34Å; T9-F26 WeakPolarHBondContact OG1-CD1 3.49Å; T9-F26 WeakPolarHBondContact OG1-CE1 3.39Å; F24-F26 HydrophobicContact CB-CD2 4.12Å; F24-F26 HydrophobicContact CB-CE2 3.56Å; F24-F26 HydrophobicContact CB-CZ 4.09Å; F26-F29 HydrophobicContact CB-CE2 3.33Å; F26-F29 HydrophobicContact CB-CZ 3.31Å; F26-F29 HydrophobicContact CD1-CZ 4.16Å; F26-F29 HydrophobicContact CG-CE2 4.43Å; F26-F29 AromaticContact CG-CZ 3.98Å; F26-F29 HydrophobicContact CG-CZ 3.98Å; F26-W35 HydrophobicContact CD1-CH2 4.08Å; F26-W35 AromaticContact CD1-CZ2 3.9Å; F26-W35 HydrophobicContact CD1-CZ2 3.9Å; F26-W35 HydrophobicContact CE1-CD2 4.14Å; F26-W35 HydrophobicContact CE1-CE3 4.02Å; F26-W35 AromaticContact CE1-CH2 3.56Å; F26-W35 HydrophobicContact CE1-CH2 3.56Å; F26-W35 AromaticContact CE1-CZ2 3.74Å; F26-W35 HydrophobicContact CE1-CZ2 3.74Å; F26-W35 AromaticContact CE1-CZ3 3.74Å; F26-W35 HydrophobicContact CE1-CZ3 3.74Å; F26-W35 HydrophobicContact CZ-CD2 4.13Å; F26-W35 HydrophobicContact CZ-CE3 4.06Å; F26-W35 HydrophobicContact CZ-CH2 4.41Å; F26-W35 HydrophobicContact CZ-CZ3 4.21Å; F26-Q66 WeakPolarHBondContact O-CA 3.46Å; F26-F67 HydrophobicContact CB-CD2 4.45Å; F26-F67 HydrophobicContact CB-CE1 4.02Å; F26-F67 HydrophobicContact CB-CE2 3.8Å; F26-F67 HydrophobicContact CB-CZ 3.56Å; F26-F67 HydrophobicContact CD2-CD2 4.17Å; F26-F67 AromaticContact CD2-CE2 3.34Å; F26-F67 HydrophobicContact CD2-CE2 3.34Å; F26-F67 AromaticContact CD2-CZ 3.82Å; F26-F67 HydrophobicContact CD2-CZ 3.82Å; F26-F67 HydrophobicContact CE2-CE2 4.14Å; F26-F67 AromaticContact CG-CE2 3.9Å; F26-F67 HydrophobicContact CG-CE2 3.9Å; F26-F67 AromaticContact CG-CZ 3.91Å; F26-F67 HydrophobicContact CG-CZ 3.91Å; F26-F67 PolarHBondContact N-O 3.18Å; F26-F67 PolarHBondContact O-N 2.77Å; F26-L69 HydrophobicContact CD2-CB 4.08Å; F26-L69 HydrophobicContact CE2-CB 3.73Å; F26-L69 HydrophobicContact CE2-CD2 3.57Å; F26-L69 HydrophobicContact CE2-CG 4.26Å; F26-L69 HydrophobicContact CZ-CD2 4.14Å; F26-L92 HydrophobicContact CE1-CD2 3.85Å; F26-L92 HydrophobicContact CE2-CD2 4.35Å; F26-L92 HydrophobicContact CZ-CD2 3.39Å |
| 27 | S | 75.2 | Confident | 86.2 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.1 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | N8 H65 Q66 | N8-S27 PolarHBondContact O-N 3.49Å; S27-H65 WeakPolarHBondContact CA-O 3.19Å; S27-Q66 WeakPolarHBondContact OG-CG 3.35Å; S27-Q66 PolarHBondContact OG-NE2 2.8Å |
| 28 | N | 65.9 | Low | 86.2 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | trans | 70.9 | 75.1 | 166.5 | -163.6 | 22.7 | 0 | 0 | 0 | 115.8 | H65 | N28-H65 PolarHBondContact N-O 2.69Š| ||
| 29 | F | 66.9 | Low | 86.2 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -119.7 | 125.9 | 179.9 | -63 | -84.2 | 0 | 0 | 0 | 111.2 | L7 F26 L33 W35 F67 | L7-F29 HydrophobicContact CD2-CD1 3.99Å; L7-F29 HydrophobicContact CD2-CE1 3.33Å; L7-F29 HydrophobicContact CD2-CE2 4.29Å; L7-F29 HydrophobicContact CD2-CZ 3.55Å; F26-F29 HydrophobicContact CB-CE2 3.33Å; F26-F29 HydrophobicContact CB-CZ 3.31Å; F26-F29 HydrophobicContact CD1-CZ 4.16Å; F26-F29 HydrophobicContact CG-CE2 4.43Å; F26-F29 AromaticContact CG-CZ 3.98Å; F26-F29 HydrophobicContact CG-CZ 3.98Å; F29-L33 HydrophobicContact CD1-CD1 3.35Å; F29-L33 HydrophobicContact CD1-CG 4.26Å; F29-L33 HydrophobicContact CE1-CD1 3.62Å; F29-W35 AromaticContact CE1-CZ2 3.87Å; F29-W35 HydrophobicContact CE1-CZ2 3.87Å; F29-W35 AromaticContact CE1-NE1 3.5Å; F29-W35 HydrophobicContact CZ-CZ2 4.14Å; F29-W35 AromaticContact CZ-NE1 3.86Å; F29-F67 AromaticContact CD2-CD1 3.93Å; F29-F67 HydrophobicContact CD2-CD1 3.93Å; F29-F67 AromaticContact CD2-CE1 3.2Å; F29-F67 HydrophobicContact CD2-CE1 3.2Å; F29-F67 HydrophobicContact CD2-CZ 4.09Å; F29-F67 HydrophobicContact CE1-CE1 4.28Å; F29-F67 HydrophobicContact CE1-CZ 4.29Å; F29-F67 AromaticContact CE2-CD1 3.8Å; F29-F67 HydrophobicContact CE2-CD1 3.8Å; F29-F67 AromaticContact CE2-CE1 2.9Å; F29-F67 HydrophobicContact CE2-CE1 2.9Å; F29-F67 AromaticContact CE2-CZ 3.39Å; F29-F67 HydrophobicContact CE2-CZ 3.39Å; F29-F67 AromaticContact CG-CE1 3.99Å; F29-F67 HydrophobicContact CG-CE1 3.99Å; F29-F67 AromaticContact CZ-CE1 3.48Å; F29-F67 HydrophobicContact CZ-CE1 3.48Å; F29-F67 VanDerWaalsContact CZ-CE1 3.48Å; F29-F67 AromaticContact CZ-CZ 3.46Å; F29-F67 HydrophobicContact CZ-CZ 3.46Å; F29-F67 VanDerWaalsContact CZ-CZ 3.46Å | ||
| 30 | M | 62.6 | Low | 86.3 | Confident | 99 Ų | 99 | 30.3 Ų | 30.3 | 49% | 0.488 | 15% | 0.153 | S | C | . | . | trans | -106.5 | -4 | -179.2 | -60.9 | -66.7 | -101.1 | 0 | 0 | 113.1 | V3 E62 | V3-M30 HydrophobicContact CG1-CB 4.09Å; M30-E62 HydrophobicContact CE-CG 4.44Å | ||
| 31 | L | 73.1 | Confident | 86.2 | Confident | 47 Ų | 47 | 29.6 Ų | 29.6 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -143.6 | 164.1 | -172 | -67.2 | 177 | 0 | 0 | 0 | 111.4 | V3 L33 Y96 W148 | V3-L31 HydrophobicContact CB-CD1 4Å; V3-L31 HydrophobicContact CG1-CD1 3.39Å; V3-L31 HydrophobicContact CG1-CG 3.71Å; V3-L31 HydrophobicContact CG2-CD1 4.32Å; L31-L33 HydrophobicContact CB-CD2 4.18Å; L31-L33 PolarHBondContact O-N 3.28Å; L31-Y96 HydrophobicContact CB-CD2 4.29Å; L31-Y96 HydrophobicContact CB-CE2 3.95Å; L31-Y96 HydrophobicContact CD1-CD2 4.14Å; L31-Y96 HydrophobicContact CD1-CE1 4.38Å; L31-Y96 HydrophobicContact CD1-CE2 3.68Å; L31-Y96 HydrophobicContact CD2-CE2 4.47Å; L31-Y96 HydrophobicContact CG-CE2 4.26Å; L31-W148 HydrophobicContact CD1-CE3 3.7Å; L31-W148 HydrophobicContact CD1-CZ3 3.95Å |
| 32 | D | 78.9 | Confident | 86 | Confident | 91 Ų | 91 | 28.3 Ų | 28.3 | 49% | 0.487 | 14% | 0.14 | S | C | . | . | trans | -68.3 | 112 | 168.2 | -62 | -12.9 | 0 | 0 | 0 | 109.6 | V57 G58 P59 Y96 | D32-V57 CarbonylContact C-O 3.46Å; D32-V57 WeakPolarHBondContact CA-O 3.23Å; D32-G58 WeakPolarHBondContact OD1-CA 3.29Å; D32-P59 WeakPolarHBondContact OD1-CA 3.44Å; D32-P59 VanDerWaalsContact OD1-CB 3.24Å; D32-P59 WeakPolarHBondContact OD1-CB 3.26Å; D32-P59 WeakPolarHBondContact OD1-CD 2.97Å; D32-Y96 VanDerWaalsContact O-CD2 3.32Å; D32-Y96 WeakPolarHBondContact O-CD2 3.34Å | ||
| 33 | L | 85.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.9 | 179 | -56.3 | -171.3 | 0 | 0 | 0 | 110.6 | F29 L31 V57 F95 Y96 F101 | F29-L33 HydrophobicContact CD1-CD1 3.35Å; F29-L33 HydrophobicContact CD1-CG 4.26Å; F29-L33 HydrophobicContact CE1-CD1 3.62Å; L31-L33 HydrophobicContact CB-CD2 4.18Å; L31-L33 PolarHBondContact O-N 3.28Å; L33-V57 PolarHBondContact N-O 3.08Å; L33-V57 PolarHBondContact O-N 3.42Å; L33-F95 WeakPolarHBondContact CA-O 3.5Å; L33-Y96 HydrophobicContact CD2-CD2 3.93Å; L33-Y96 HydrophobicContact CD2-CG 4.42Å; L33-F101 HydrophobicContact CD1-CE1 4.17Å; L33-F101 HydrophobicContact CD1-CZ 3.77Å; L33-F101 HydrophobicContact CD2-CE1 4Å; L33-F101 HydrophobicContact CD2-CZ 4.34Å |
| 34 | E | 89.5 | Confident | 85.7 | Confident | 69 Ų | 69 | 34.8 Ų | 34.8 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.3 | 167.8 | -178.3 | -177.1 | 123 | 0 | 0 | 108.7 | V54 L56 F95 | E34-V54 HydrophobicContact CG-CG1 3.65Å; E34-L56 HydrophobicContact CB-CD2 3.69Å; E34-L56 HydrophobicContact CG-CD2 3.93Å; E34-F95 HydrophobicContact CB-CB 4.11Å; E34-F95 PolarHBondContact N-O 3.1Å; E34-F95 PolarHBondContact O-N 3.18Å |
| 35 | W | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.5 | 177.3 | -80.5 | 100.6 | 0 | 0 | 0 | 110 | L7 F26 F29 V54 V55 L92 E93 L102 | L7-W35 HydrophobicContact CD1-CH2 3.24Å; L7-W35 HydrophobicContact CD1-CZ2 3.24Å; L7-W35 HydrophobicContact CD2-CZ2 4.46Å; L7-W35 HydrophobicContact CG-CZ2 4.47Å; F26-W35 HydrophobicContact CD1-CH2 4.08Å; F26-W35 AromaticContact CD1-CZ2 3.9Å; F26-W35 HydrophobicContact CD1-CZ2 3.9Å; F26-W35 HydrophobicContact CE1-CD2 4.14Å; F26-W35 HydrophobicContact CE1-CE3 4.02Å; F26-W35 AromaticContact CE1-CH2 3.56Å; F26-W35 HydrophobicContact CE1-CH2 3.56Å; F26-W35 AromaticContact CE1-CZ2 3.74Å; F26-W35 HydrophobicContact CE1-CZ2 3.74Å; F26-W35 AromaticContact CE1-CZ3 3.74Å; F26-W35 HydrophobicContact CE1-CZ3 3.74Å; F26-W35 HydrophobicContact CZ-CD2 4.13Å; F26-W35 HydrophobicContact CZ-CE3 4.06Å; F26-W35 HydrophobicContact CZ-CH2 4.41Å; F26-W35 HydrophobicContact CZ-CZ3 4.21Å; F29-W35 AromaticContact CE1-CZ2 3.87Å; F29-W35 HydrophobicContact CE1-CZ2 3.87Å; F29-W35 AromaticContact CE1-NE1 3.5Å; F29-W35 HydrophobicContact CZ-CZ2 4.14Å; F29-W35 AromaticContact CZ-NE1 3.86Å; W35-V54 CarbonylContact O-C 3.56Å; W35-V54 VanDerWaalsContact O-CA 3.29Å; W35-V54 WeakPolarHBondContact O-CA 3.39Å; W35-V55 PolarHBondContact N-O 3.47Å; W35-V55 PolarHBondContact O-N 2.95Å; W35-L92 HydrophobicContact CE3-CB 4.3Å; W35-L92 HydrophobicContact CZ3-CB 4.03Å; W35-E93 WeakPolarHBondContact CA-O 3.38Å; W35-L102 HydrophobicContact CH2-CD1 3.78Å; W35-L102 HydrophobicContact CZ3-CD1 3.91Å |
| 36 | K | 94.7 | Very high | 86 | Confident | 48 Ų | 48 | 38.6 Ų | 38.6 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127 | 173.3 | -179.5 | 172.9 | 178.3 | -179.9 | 0 | 109.1 | V51 D53 V54 E93 F95 | K36-V51 HydrophobicContact CD-CG1 4.31Å; K36-V51 HydrophobicContact CG-CG1 3.93Å; K36-D53 WeakPolarHBondContact CA-O 3.27Å; K36-V54 HydrophobicContact CB-CG2 4.41Å; K36-V54 HydrophobicContact CD-CG2 4.46Å; K36-V54 HydrophobicContact CG-CG2 4.08Å; K36-E93 HydrophobicContact CB-CB 4.32Å; K36-E93 PolarHBondContact N-O 3.32Å; K36-E93 PolarHBondContact O-N 3.31Å; K36-F95 HydrophobicContact CB-CD2 4.47Å; K36-F95 HydrophobicContact CB-CE2 3.91Å; K36-F95 HydrophobicContact CD-CE2 4.38Å |
| 37 | V | 95.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.3 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | F24 L52 D53 L69 V71 I90 I91 L92 | F24-V37 HydrophobicContact CE2-CG1 4.22Å; V37-L52 HydrophobicContact CG1-CD1 4.37Å; V37-L52 PolarHBondContact O-N 3.16Å; V37-D53 PolarHBondContact N-O 3.26Å; V37-L69 HydrophobicContact CG2-CD2 3.87Å; V37-V71 HydrophobicContact CB-CG1 4.09Å; V37-V71 HydrophobicContact CB-CG2 4.34Å; V37-V71 HydrophobicContact CG1-CG1 4.07Å; V37-V71 HydrophobicContact CG2-CG2 3.99Å; V37-I90 HydrophobicContact CG1-CD1 3.86Å; V37-I90 HydrophobicContact CG1-CG1 3.94Å; V37-I91 WeakPolarHBondContact CA-O 3.47Å; V37-L92 HydrophobicContact CG2-CG 4.28Å |
| 38 | R | 97.3 | Very high | 87.6 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.5 | -175 | 179.6 | -170.7 | -68.9 | -116.1 | 2.7 | 110.7 | D49 Q50 I90 I91 | R38-D49 WeakPolarHBondContact CD-OD2 3.17Å; R38-D49 HydrophobicContact CG-CB 4.11Å; R38-D49 IonicContact CZ-OD2 2.93Å; R38-D49 IonicContact NH1-OD2 2.74Å; R38-D49 PolarHBondContact NH1-OD2 3.46Å; R38-Q50 CarbonylContact C-O 3.58Å; R38-Q50 VanDerWaalsContact CA-O 3.28Å; R38-Q50 WeakPolarHBondContact CA-O 3.34Å; R38-I90 CarbonylContact O-C 3.5Å; R38-I90 WeakPolarHBondContact O-CA 3.4Å; R38-I91 HydrophobicContact CB-CB 4.46Å; R38-I91 PolarHBondContact N-O 2.76Å; R38-I91 PolarHBondContact O-N 2.7Å |
| 39 | Y | 97.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.3 | 166 | 179.6 | -86.7 | 0 | 0 | 0 | 109.3 | D49 Q50 E74 I79 T88 L108 N110 | Y39-D49 CarbonylContact O-C 3.58Å; Y39-D49 VanDerWaalsContact O-CA 3.31Å; Y39-D49 WeakPolarHBondContact O-CA 3.47Å; Y39-Q50 PolarHBondContact N-O 2.93Å; Y39-Q50 PolarHBondContact O-N 2.8Å; Y39-E74 HydrophobicContact CD1-CB 4.11Å; Y39-E74 HydrophobicContact CD1-CG 4.16Å; Y39-E74 HydrophobicContact CD2-CB 4.22Å; Y39-E74 HydrophobicContact CD2-CG 3.89Å; Y39-E74 HydrophobicContact CE1-CG 4.16Å; Y39-E74 HydrophobicContact CE2-CG 3.87Å; Y39-E74 WeakPolarHBondContact CE2-OE1 3.38Å; Y39-E74 HydrophobicContact CG-CB 3.93Å; Y39-E74 HydrophobicContact CG-CG 4.04Å; Y39-I79 HydrophobicContact CE1-CD1 3.95Å; Y39-I79 HydrophobicContact CE1-CG1 4.2Å; Y39-T88 HydrophobicContact CE2-CG2 3.84Å; Y39-L108 HydrophobicContact CD2-CD2 3.96Å; Y39-L108 HydrophobicContact CE2-CD2 3.48Å; Y39-L108 VanDerWaalsContact CE2-CD2 3.48Å; Y39-N110 PolarHBondContact OH-ND2 3.24Å |
| 40 | V | 97.2 | Very high | 90.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | trans | -83 | 118.3 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | D49 T88 I89 I91 | V40-D49 WeakPolarHBondContact CA-OD1 3.32Å; V40-T88 PolarHBondContact O-OG1 3.15Å; V40-I89 HydrophobicContact CB-CB 4.31Å; V40-I89 WeakPolarHBondContact CB-O 3.31Å; V40-I89 HydrophobicContact CG2-CB 4.06Å; V40-I89 WeakPolarHBondContact CG2-O 3.44Å; V40-I89 PolarHBondContact N-O 3.16Å; V40-I91 HydrophobicContact CG2-CD1 3.73Å; V40-I91 HydrophobicContact CG2-CG1 4.11Å | ||
| 41 | G | 93.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -81.5 | -28.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y48 D49 D83 | G41-Y48 WeakPolarHBondContact CA-O 3.47Å; G41-D49 PolarHBondContact N-OD1 3.5Å; G41-D83 WeakPolarHBondContact O-CB 3.46Å | ||
| 42 | S | 93.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | trans | -156.1 | 141.5 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 109 | S44 D83 | S42-S44 PolarHBondContact O-N 3.17Å; S42-S44 PolarHBondContact OG-N 3.19Å; S42-D83 WeakPolarHBondContact CB-OD2 3.47Å; S42-D83 PolarHBondContact OG-OD2 2.87Å | ||
| 43 | A | 90.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 73% | 0.727 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 44 | S | 90.9 | Very high | 94.4 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 78% | 0.783 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.5 | -174.5 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | S42 | S42-S44 PolarHBondContact O-N 3.17Å; S42-S44 PolarHBondContact OG-N 3.19Å |
| 45 | S | 92 | Very high | 94.4 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | trans | -156.5 | 126.3 | -177.2 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | E47 | S45-E47 PolarHBondContact O-N 3.5Å; S45-E47 WeakPolarHBondContact OG-CB 3.37Å; S45-E47 WeakPolarHBondContact OG-CG 3.2Å; S45-E47 PolarHBondContact OG-N 2.85Å | ||
| 46 | V | 93.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -71.9 | -10.6 | 174 | -58.6 | 0 | 0 | 0 | 0 | 113 | Y48 D49 E163 | V46-Y48 PolarHBondContact O-N 2.85Å; V46-D49 WeakPolarHBondContact O-CB 3.37Å; V46-D49 PolarHBondContact O-N 2.92Å; V46-E163 WeakPolarHBondContact CG2-OE1 3.08Å |
| 47 | E | 95.2 | Very high | 93.4 | Very high | 170 Ų | 170 | 50.7 Ų | 50.7 | 79% | 0.794 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.3 | 177.9 | -62.8 | -174.9 | 150.6 | 0 | 0 | 112.3 | S45 | S45-E47 PolarHBondContact O-N 3.5Å; S45-E47 WeakPolarHBondContact OG-CB 3.37Å; S45-E47 WeakPolarHBondContact OG-CG 3.2Å; S45-E47 PolarHBondContact OG-N 2.85Å |
| 48 | Y | 95.5 | Very high | 92.1 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 38% | 0.384 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -89.2 | -5.1 | 176.2 | -58.6 | -69.1 | 0 | 0 | 0 | 113.1 | G41 V46 Q50 L78 P80 | G41-Y48 WeakPolarHBondContact CA-O 3.47Å; V46-Y48 PolarHBondContact O-N 2.85Å; Y48-Q50 PolarHBondContact O-N 3.23Å; Y48-L78 WeakPolarHBondContact CD1-O 3.32Å; Y48-P80 HydrophobicContact CD1-CG 3.56Å; Y48-P80 HydrophobicContact CD2-CG 3.67Å; Y48-P80 HydrophobicContact CE1-CG 3.66Å; Y48-P80 HydrophobicContact CE2-CG 3.75Å; Y48-P80 HydrophobicContact CG-CG 3.55Å |
| 49 | D | 97.5 | Very high | 90.3 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -63.4 | 136.1 | 176.6 | -71.9 | -0.9 | 0 | 0 | 0 | 111 | R38 Y39 V40 G41 V46 | R38-D49 WeakPolarHBondContact CD-OD2 3.17Å; R38-D49 HydrophobicContact CG-CB 4.11Å; R38-D49 IonicContact CZ-OD2 2.93Å; R38-D49 IonicContact NH1-OD2 2.74Å; R38-D49 PolarHBondContact NH1-OD2 3.46Å; Y39-D49 CarbonylContact O-C 3.58Å; Y39-D49 VanDerWaalsContact O-CA 3.31Å; Y39-D49 WeakPolarHBondContact O-CA 3.47Å; V40-D49 WeakPolarHBondContact CA-OD1 3.32Å; G41-D49 PolarHBondContact N-OD1 3.5Å; V46-D49 WeakPolarHBondContact O-CB 3.37Å; V46-D49 PolarHBondContact O-N 2.92Å | ||
| 50 | Q | 97.5 | Very high | 88.4 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.2 | 178.9 | -59 | -173 | 48.1 | 0 | 0 | 109.8 | R38 Y39 Y48 L52 T75 | R38-Q50 CarbonylContact C-O 3.58Å; R38-Q50 VanDerWaalsContact CA-O 3.28Å; R38-Q50 WeakPolarHBondContact CA-O 3.34Å; Y39-Q50 PolarHBondContact N-O 2.93Å; Y39-Q50 PolarHBondContact O-N 2.8Å; Y48-Q50 PolarHBondContact O-N 3.23Å; Q50-L52 HydrophobicContact CB-CD2 4.05Å; Q50-L52 PolarHBondContact O-N 2.93Å; Q50-T75 PolarHBondContact NE2-O 3.24Å; Q50-T75 PolarHBondContact OE1-OG1 3.13Å |
| 51 | V | 97.2 | Very high | 86.6 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 110.3 | 165.5 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | K36 V54 R72 | K36-V51 HydrophobicContact CD-CG1 4.31Å; K36-V51 HydrophobicContact CG-CG1 3.93Å; V51-V54 HydrophobicContact CG1-CG2 3.92Å; V51-R72 PolarHBondContact O-NH2 2.71Å |
| 52 | L | 96.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -50.9 | -176.7 | -57 | -173.6 | 0 | 0 | 0 | 110.3 | Y22 V37 Q50 V71 R72 E74 I90 | Y22-L52 HydrophobicContact CD2-CD1 3.79Å; Y22-L52 HydrophobicContact CE2-CD1 3.5Å; V37-L52 HydrophobicContact CG1-CD1 4.37Å; V37-L52 PolarHBondContact O-N 3.16Å; Q50-L52 HydrophobicContact CB-CD2 4.05Å; Q50-L52 PolarHBondContact O-N 2.93Å; L52-V71 HydrophobicContact CB-CG1 3.42Å; L52-V71 VanDerWaalsContact CB-CG1 3.42Å; L52-V71 HydrophobicContact CD1-CG1 4.07Å; L52-V71 HydrophobicContact CG-CG1 4.41Å; L52-R72 VanDerWaalsContact O-CZ 3.24Å; L52-R72 PolarHBondContact O-NE 2.81Å; L52-R72 PolarHBondContact O-NH2 2.91Å; L52-E74 HydrophobicContact CD2-CB 3.87Å; L52-I90 HydrophobicContact CD1-CD1 4.15Å |
| 53 | D | 94.1 | Very high | 83.3 | Confident | 60 Ų | 60 | 73 Ų | 73 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.9 | 178.7 | -152.8 | -8 | 0 | 0 | 0 | 111.9 | K36 V37 V55 V71 | K36-D53 WeakPolarHBondContact CA-O 3.27Å; V37-D53 PolarHBondContact N-O 3.26Å; D53-V55 HydrophobicContact CB-CG2 4.28Å; D53-V71 HydrophobicContact CB-CG1 3.89Å; D53-V71 HydrophobicContact CB-CG2 4.41Å |
| 54 | V | 93.3 | Very high | 81.8 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 110.2 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | E34 W35 K36 V51 | E34-V54 HydrophobicContact CG-CG1 3.65Å; W35-V54 CarbonylContact O-C 3.56Å; W35-V54 VanDerWaalsContact O-CA 3.29Å; W35-V54 WeakPolarHBondContact O-CA 3.39Å; K36-V54 HydrophobicContact CB-CG2 4.41Å; K36-V54 HydrophobicContact CD-CG2 4.46Å; K36-V54 HydrophobicContact CG-CG2 4.08Å; V51-V54 HydrophobicContact CG1-CG2 3.92Å |
| 55 | V | 89 | Confident | 80.7 | Confident | 35 Ų | 35 | 76 Ų | 76 | 21% | 0.212 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.7 | -171.1 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | W35 D53 V57 L69 | W35-V55 PolarHBondContact N-O 3.47Å; W35-V55 PolarHBondContact O-N 2.95Å; D53-V55 HydrophobicContact CB-CG2 4.28Å; V55-V57 HydrophobicContact CG1-CG2 4Å; V55-L69 HydrophobicContact CB-CD1 3.62Å; V55-L69 HydrophobicContact CG1-CD1 3.65Å; V55-L69 HydrophobicContact CG2-CD1 3.53Å |
| 56 | L | 86 | Confident | 79.9 | Confident | 134 Ų | 134 | 81.4 Ų | 81.4 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.5 | 172.4 | -69.4 | 166.1 | 0 | 0 | 0 | 109.3 | E34 | E34-L56 HydrophobicContact CB-CD2 3.69Å; E34-L56 HydrophobicContact CG-CD2 3.93Å |
| 57 | V | 78.2 | Confident | 79.1 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 13% | 0.127 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.9 | 179.2 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | D32 L33 V55 F67 | D32-V57 CarbonylContact C-O 3.46Å; D32-V57 WeakPolarHBondContact CA-O 3.23Å; L33-V57 PolarHBondContact N-O 3.08Å; L33-V57 PolarHBondContact O-N 3.42Å; V55-V57 HydrophobicContact CG1-CG2 4Å; V57-F67 HydrophobicContact CB-CE1 4.43Å; V57-F67 HydrophobicContact CB-CZ 4.34Å; V57-F67 HydrophobicContact CG1-CD1 4.04Å; V57-F67 HydrophobicContact CG1-CE1 3.55Å; V57-F67 HydrophobicContact CG1-CZ 3.91Å; V57-F67 HydrophobicContact CG2-CE1 4.42Å; V57-F67 HydrophobicContact CG2-CE2 4.14Å; V57-F67 HydrophobicContact CG2-CZ 3.93Å |
| 58 | G | 68.4 | Low | 78.7 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | trans | 155.3 | 174.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D32 | D32-G58 WeakPolarHBondContact OD1-CA 3.29Š| ||
| 59 | P | 59.4 | Low | 78.3 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | cis | -83.1 | 136.4 | -10.9 | 28.1 | -30.9 | 0 | 0 | 0 | 110.2 | D32 | D32-P59 WeakPolarHBondContact OD1-CA 3.44Å; D32-P59 VanDerWaalsContact OD1-CB 3.24Å; D32-P59 WeakPolarHBondContact OD1-CB 3.26Å; D32-P59 WeakPolarHBondContact OD1-CD 2.97Å |
| 60 | V | 58.1 | Low | 78.1 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 119.1 | 173.2 | -165.4 | 0 | 0 | 0 | 0 | 107.6 | H65 | V60-H65 HydrophobicContact CG1-CB 3.61Å; V60-H65 WeakPolarHBondContact CG1-CD2 3.45Å |
| 61 | H | 58.6 | Low | 77.9 | Confident | 162 Ų | 162 | 75 Ų | 75 | 75% | 0.75 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 157.6 | 178.6 | -66.2 | -70.6 | 0 | 0 | 0 | 111.4 | G63 H65 | H61-G63 PolarHBondContact O-N 3.15Å; H61-G63 VanDerWaalsContact O-N 3.12Å; H61-H65 PolarHBondContact O-CD2 3.36Å |
| 62 | E | 57.8 | Low | 77.8 | Confident | 179 Ų | 179 | 77.8 Ų | 77.8 | 84% | 0.836 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -46.7 | 119.7 | 178.4 | -65.9 | -179.8 | -179 | 0 | 0 | 111.7 | M30 | M30-E62 HydrophobicContact CE-CG 4.44Š|
| 63 | G | 58.6 | Low | 77.7 | Confident | 33 Ų | 33 | 81 Ų | 81 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 160.2 | 154.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H61 H65 | H61-G63 PolarHBondContact O-N 3.15Å; H61-G63 VanDerWaalsContact O-N 3.12Å; G63-H65 VanDerWaalsContact C-N 3.31Å; G63-H65 PolarHBondContact O-CD2 2.95Å; G63-H65 PolarHBondContact O-N 3.08Å |
| 64 | H | 60.8 | Low | 77.7 | Confident | 177 Ų | 177 | 78.1 Ų | 78.1 | 82% | 0.819 | 41% | 0.408 | S | S | * | . | trans | -76.6 | 85.3 | 172.3 | -66.5 | -80.5 | 0 | 0 | 0 | 109.6 | ||||
| 65 | H | 67.6 | Low | 77.9 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | trans | -91.6 | 137.6 | 174.4 | -68 | -82.5 | 0 | 0 | 0 | 110.8 | S27 N28 V60 H61 G63 | S27-H65 WeakPolarHBondContact CA-O 3.19Å; N28-H65 PolarHBondContact N-O 2.69Å; V60-H65 HydrophobicContact CG1-CB 3.61Å; V60-H65 WeakPolarHBondContact CG1-CD2 3.45Å; H61-H65 PolarHBondContact O-CD2 3.36Å; G63-H65 VanDerWaalsContact C-N 3.31Å; G63-H65 PolarHBondContact O-CD2 2.95Å; G63-H65 PolarHBondContact O-N 3.08Å | ||
| 66 | Q | 74.2 | Confident | 78.2 | Confident | 146 Ų | 146 | 77.5 Ų | 77.5 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.5 | 168.1 | -53.6 | -167.7 | -64.2 | 0 | 0 | 107.9 | V25 F26 S27 | V25-Q66 HydrophobicContact CG1-CB 4.18Å; F26-Q66 WeakPolarHBondContact O-CA 3.46Å; S27-Q66 WeakPolarHBondContact OG-CG 3.35Å; S27-Q66 PolarHBondContact OG-NE2 2.8Å |
| 67 | F | 78.2 | Confident | 78.6 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 17% | 0.171 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.4 | 169.6 | 63 | -101.8 | 0 | 0 | 0 | 110.2 | V25 F26 F29 V57 L69 | V25-F67 VanDerWaalsContact CA-O 3.3Å; V25-F67 WeakPolarHBondContact CA-O 3.35Å; F26-F67 HydrophobicContact CB-CD2 4.45Å; F26-F67 HydrophobicContact CB-CE1 4.02Å; F26-F67 HydrophobicContact CB-CE2 3.8Å; F26-F67 HydrophobicContact CB-CZ 3.56Å; F26-F67 HydrophobicContact CD2-CD2 4.17Å; F26-F67 AromaticContact CD2-CE2 3.34Å; F26-F67 HydrophobicContact CD2-CE2 3.34Å; F26-F67 AromaticContact CD2-CZ 3.82Å; F26-F67 HydrophobicContact CD2-CZ 3.82Å; F26-F67 HydrophobicContact CE2-CE2 4.14Å; F26-F67 AromaticContact CG-CE2 3.9Å; F26-F67 HydrophobicContact CG-CE2 3.9Å; F26-F67 AromaticContact CG-CZ 3.91Å; F26-F67 HydrophobicContact CG-CZ 3.91Å; F26-F67 PolarHBondContact N-O 3.18Å; F26-F67 PolarHBondContact O-N 2.77Å; F29-F67 AromaticContact CD2-CD1 3.93Å; F29-F67 HydrophobicContact CD2-CD1 3.93Å; F29-F67 AromaticContact CD2-CE1 3.2Å; F29-F67 HydrophobicContact CD2-CE1 3.2Å; F29-F67 HydrophobicContact CD2-CZ 4.09Å; F29-F67 HydrophobicContact CE1-CE1 4.28Å; F29-F67 HydrophobicContact CE1-CZ 4.29Å; F29-F67 AromaticContact CE2-CD1 3.8Å; F29-F67 HydrophobicContact CE2-CD1 3.8Å; F29-F67 AromaticContact CE2-CE1 2.9Å; F29-F67 HydrophobicContact CE2-CE1 2.9Å; F29-F67 AromaticContact CE2-CZ 3.39Å; F29-F67 HydrophobicContact CE2-CZ 3.39Å; F29-F67 AromaticContact CG-CE1 3.99Å; F29-F67 HydrophobicContact CG-CE1 3.99Å; F29-F67 AromaticContact CZ-CE1 3.48Å; F29-F67 HydrophobicContact CZ-CE1 3.48Å; F29-F67 VanDerWaalsContact CZ-CE1 3.48Å; F29-F67 AromaticContact CZ-CZ 3.46Å; F29-F67 HydrophobicContact CZ-CZ 3.46Å; F29-F67 VanDerWaalsContact CZ-CZ 3.46Å; V57-F67 HydrophobicContact CB-CE1 4.43Å; V57-F67 HydrophobicContact CB-CZ 4.34Å; V57-F67 HydrophobicContact CG1-CD1 4.04Å; V57-F67 HydrophobicContact CG1-CE1 3.55Å; V57-F67 HydrophobicContact CG1-CZ 3.91Å; V57-F67 HydrophobicContact CG2-CE1 4.42Å; V57-F67 HydrophobicContact CG2-CE2 4.14Å; V57-F67 HydrophobicContact CG2-CZ 3.93Å; F67-L69 HydrophobicContact CD2-CB 4.4Å; F67-L69 HydrophobicContact CE2-CB 4.23Å |
| 68 | V | 85.1 | Confident | 79.4 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.2 | 172.7 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | K23 V25 | K23-V68 HydrophobicContact CB-CG1 4.41Å; V25-V68 HydrophobicContact CG2-CG2 4.17Å |
| 69 | L | 88.2 | Confident | 80.7 | Confident | 9 Ų | 9 | 78.3 Ų | 78.3 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.9 | 167.1 | -174.3 | 71.6 | 0 | 0 | 0 | 108.1 | K23 F24 F26 V37 V55 F67 V71 | K23-L69 WeakPolarHBondContact CA-O 3.48Å; F24-L69 HydrophobicContact CB-CB 4.41Å; F24-L69 PolarHBondContact N-O 2.81Å; F24-L69 PolarHBondContact O-N 3.11Å; F26-L69 HydrophobicContact CD2-CB 4.08Å; F26-L69 HydrophobicContact CE2-CB 3.73Å; F26-L69 HydrophobicContact CE2-CD2 3.57Å; F26-L69 HydrophobicContact CE2-CG 4.26Å; F26-L69 HydrophobicContact CZ-CD2 4.14Å; V37-L69 HydrophobicContact CG2-CD2 3.87Å; V55-L69 HydrophobicContact CB-CD1 3.62Å; V55-L69 HydrophobicContact CG1-CD1 3.65Å; V55-L69 HydrophobicContact CG2-CD1 3.53Å; F67-L69 HydrophobicContact CD2-CB 4.4Å; F67-L69 HydrophobicContact CE2-CB 4.23Å; L69-V71 HydrophobicContact CD2-CG2 3.74Å; L69-V71 HydrophobicContact CG-CG2 3.68Å |
| 70 | E | 92.6 | Very high | 82.4 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.3 | 171.8 | -173.2 | 162.3 | 164.1 | 0 | 0 | 108.9 | P21 Y22 K23 | P21-E70 HydrophobicContact CB-CG 4Å; P21-E70 HydrophobicContact CG-CG 4.41Å; Y22-E70 WeakPolarHBondContact O-CA 3.48Å; K23-E70 WeakPolarHBondContact CE-OE2 3.49Å; K23-E70 HydrophobicContact CG-CG 4.25Å; K23-E70 VanDerWaalsContact NZ-CD 3.25Å; K23-E70 IonicContact NZ-OE1 3.39Å; K23-E70 PolarHBondContact NZ-OE1 2.81Å; K23-E70 IonicContact NZ-OE2 2.7Å; K23-E70 PolarHBondContact NZ-OE2 2.84Å |
| 71 | V | 93.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.5 | -173.5 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | P21 Y22 F24 V37 L52 D53 L69 | P21-V71 CarbonylContact C-O 3.55Å; P21-V71 VanDerWaalsContact CA-O 3.25Å; P21-V71 WeakPolarHBondContact CA-O 3.39Å; P21-V71 VanDerWaalsContact CB-O 3.3Å; P21-V71 WeakPolarHBondContact CB-O 3.43Å; Y22-V71 PolarHBondContact N-O 3.03Å; Y22-V71 PolarHBondContact O-N 2.86Å; F24-V71 HydrophobicContact CD2-CG2 4.47Å; V37-V71 HydrophobicContact CB-CG1 4.09Å; V37-V71 HydrophobicContact CB-CG2 4.34Å; V37-V71 HydrophobicContact CG1-CG1 4.07Å; V37-V71 HydrophobicContact CG2-CG2 3.99Å; L52-V71 HydrophobicContact CB-CG1 3.42Å; L52-V71 VanDerWaalsContact CB-CG1 3.42Å; L52-V71 HydrophobicContact CD1-CG1 4.07Å; L52-V71 HydrophobicContact CG-CG1 4.41Å; D53-V71 HydrophobicContact CB-CG1 3.89Å; D53-V71 HydrophobicContact CB-CG2 4.41Å; L69-V71 HydrophobicContact CD2-CG2 3.74Å; L69-V71 HydrophobicContact CG-CG2 3.68Å |
| 72 | R | 95.2 | Very high | 85.7 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 156.4 | 176.1 | 66.8 | 176.9 | -175.6 | 84.9 | 1.8 | 112.1 | V51 L52 | V51-R72 PolarHBondContact O-NH2 2.71Å; L52-R72 VanDerWaalsContact O-CZ 3.24Å; L52-R72 PolarHBondContact O-NE 2.81Å; L52-R72 PolarHBondContact O-NH2 2.91Å |
| 73 | E | 94.1 | Very high | 87.5 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 159.6 | 170.2 | 68.4 | -74.5 | 175.2 | 0 | 0 | 113.3 | ||
| 74 | E | 95.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.8 | 167.6 | 60.8 | -77.6 | 179.6 | 0 | 0 | 112.3 | F18 Y22 Y39 L52 P76 I79 R132 | F18-E74 HydrophobicContact CE1-CG 4.07Å; F18-E74 WeakPolarHBondContact CE1-OE1 3.15Å; F18-E74 WeakPolarHBondContact CE2-OE1 3.48Å; F18-E74 HydrophobicContact CZ-CG 3.72Å; F18-E74 WeakPolarHBondContact CZ-OE1 3.47Å; Y22-E74 WeakPolarHBondContact CE2-OE2 3.42Å; Y22-E74 VanDerWaalsContact OH-CD 3.31Å; Y22-E74 PolarHBondContact OH-OE1 3.11Å; Y22-E74 PolarHBondContact OH-OE2 2.99Å; Y39-E74 HydrophobicContact CD1-CB 4.11Å; Y39-E74 HydrophobicContact CD1-CG 4.16Å; Y39-E74 HydrophobicContact CD2-CB 4.22Å; Y39-E74 HydrophobicContact CD2-CG 3.89Å; Y39-E74 HydrophobicContact CE1-CG 4.16Å; Y39-E74 HydrophobicContact CE2-CG 3.87Å; Y39-E74 WeakPolarHBondContact CE2-OE1 3.38Å; Y39-E74 HydrophobicContact CG-CB 3.93Å; Y39-E74 HydrophobicContact CG-CG 4.04Å; L52-E74 HydrophobicContact CD2-CB 3.87Å; E74-P76 WeakPolarHBondContact O-CD 3.16Å; E74-I79 HydrophobicContact CB-CD1 4.43Å; E74-I79 HydrophobicContact CG-CD1 3.64Å; E74-R132 IonicContact OE2-NH1 3.1Å |
| 75 | T | 96.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | trans | -84.8 | 115.9 | 178.2 | -50.4 | 0 | 0 | 0 | 0 | 109.1 | Q50 S77 L78 | Q50-T75 PolarHBondContact NE2-O 3.24Å; Q50-T75 PolarHBondContact OE1-OG1 3.13Å; T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 2.82Å; T75-L78 HydrophobicContact CG2-CD1 4.35Å; T75-L78 HydrophobicContact CG2-CG 4.19Å; T75-L78 PolarHBondContact O-N 3.35Å; T75-L78 VanDerWaalsContact O-N 3.13Å | ||
| 76 | P | 95.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -60.8 | -35.8 | -172.3 | -26.4 | 35.1 | 0 | 0 | 0 | 114.6 | F18 L19 E74 L78 I79 F127 | F18-P76 HydrophobicContact CE1-CG 4.25Å; L19-P76 HydrophobicContact CD2-CG 3.51Å; E74-P76 WeakPolarHBondContact O-CD 3.16Å; P76-L78 PolarHBondContact O-N 3.32Å; P76-L78 VanDerWaalsContact O-N 3.16Å; P76-I79 PolarHBondContact O-N 2.74Å; P76-I79 VanDerWaalsContact O-N 3.15Å; P76-F127 HydrophobicContact CB-CB 4.25Å; P76-F127 HydrophobicContact CB-CD1 3.83Å; P76-F127 HydrophobicContact CB-CD2 3.51Å; P76-F127 HydrophobicContact CB-CE1 3.93Å; P76-F127 HydrophobicContact CB-CE2 3.62Å; P76-F127 HydrophobicContact CB-CG 3.6Å; P76-F127 HydrophobicContact CB-CZ 3.82Å; P76-F127 HydrophobicContact CG-CB 4.35Å; P76-F127 HydrophobicContact CG-CD1 4.4Å; P76-F127 HydrophobicContact CG-CD2 4.46Å; P76-F127 HydrophobicContact CG-CG 4.17Å; P76-F127 WeakPolarHBondContact O-CZ 3.36Å |
| 77 | S | 94.5 | Very high | 93.2 | Very high | 108 Ų | 108 | 58 Ų | 58 | 76% | 0.755 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -69.3 | -11.1 | -178.3 | 61 | 0 | 0 | 0 | 0 | 114.3 | T75 | T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 2.82Å |
| 78 | L | 95 | Very high | 94.1 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -95.9 | -4.7 | 177.5 | -59.2 | -178.6 | 0 | 0 | 0 | 112.3 | Y48 T75 P76 | Y48-L78 WeakPolarHBondContact CD1-O 3.32Å; T75-L78 HydrophobicContact CG2-CD1 4.35Å; T75-L78 HydrophobicContact CG2-CG 4.19Å; T75-L78 PolarHBondContact O-N 3.35Å; T75-L78 VanDerWaalsContact O-N 3.13Å; P76-L78 PolarHBondContact O-N 3.32Å; P76-L78 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 95.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -94.2 | 130.2 | -179.7 | -54.1 | 170.1 | 0 | 0 | 0 | 108.2 | F18 Y39 E74 P76 A84 F127 | F18-I79 HydrophobicContact CE1-CD1 4.36Å; F18-I79 HydrophobicContact CZ-CD1 3.6Å; Y39-I79 HydrophobicContact CE1-CD1 3.95Å; Y39-I79 HydrophobicContact CE1-CG1 4.2Å; E74-I79 HydrophobicContact CB-CD1 4.43Å; E74-I79 HydrophobicContact CG-CD1 3.64Å; P76-I79 PolarHBondContact O-N 2.74Å; P76-I79 VanDerWaalsContact O-N 3.15Å; I79-A84 HydrophobicContact CG2-CB 4.22Å; I79-F127 HydrophobicContact CD1-CE1 4.1Å |
| 80 | P | 94.6 | Very high | 95 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -56.2 | 132.9 | 172 | -24.5 | 34.9 | 0 | 0 | 0 | 110.7 | Y48 L82 D83 A84 | Y48-P80 HydrophobicContact CD1-CG 3.56Å; Y48-P80 HydrophobicContact CD2-CG 3.67Å; Y48-P80 HydrophobicContact CE1-CG 3.66Å; Y48-P80 HydrophobicContact CE2-CG 3.75Å; Y48-P80 HydrophobicContact CG-CG 3.55Å; P80-L82 PolarHBondContact O-N 2.75Å; P80-L82 VanDerWaalsContact O-N 3.08Å; P80-D83 HydrophobicContact CB-CB 4.21Å; P80-D83 WeakPolarHBondContact CB-OD2 3.46Å; P80-D83 PolarHBondContact O-N 2.79Å; P80-A84 PolarHBondContact O-N 2.99Å; P80-A84 VanDerWaalsContact O-N 3.15Å | ||
| 81 | P | 93.6 | Very high | 95.1 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.8 | -178.4 | -30.2 | 36.5 | 0 | 0 | 0 | 114.7 | P125 | P81-P125 HydrophobicContact CB-CG 4.16Å; P81-P125 VanDerWaalsContact O-CG 3.27Å; P81-P125 WeakPolarHBondContact O-CG 3.26Å |
| 82 | L | 93.1 | Very high | 95.1 | Very high | 164 Ų | 164 | 49.3 Ų | 49.3 | 86% | 0.859 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -25.4 | 178.6 | -65.1 | 172.5 | 0 | 0 | 0 | 113.1 | P80 | P80-L82 PolarHBondContact O-N 2.75Å; P80-L82 VanDerWaalsContact O-N 3.08Å |
| 83 | D | 95.1 | Very high | 95 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.1 | -178.2 | -64.1 | -49.8 | 0 | 0 | 0 | 112.2 | G41 S42 P80 V85 | G41-D83 WeakPolarHBondContact O-CB 3.46Å; S42-D83 WeakPolarHBondContact CB-OD2 3.47Å; S42-D83 PolarHBondContact OG-OD2 2.87Å; P80-D83 HydrophobicContact CB-CB 4.21Å; P80-D83 WeakPolarHBondContact CB-OD2 3.46Å; P80-D83 PolarHBondContact O-N 2.79Å; D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 2.8Å |
| 84 | A | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -69.2 | -30.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I79 P80 N110 P125 F127 | I79-A84 HydrophobicContact CG2-CB 4.22Å; P80-A84 PolarHBondContact O-N 2.99Å; P80-A84 VanDerWaalsContact O-N 3.15Å; A84-N110 VanDerWaalsContact O-CB 3.29Å; A84-N110 WeakPolarHBondContact O-CB 3.45Å; A84-N110 PolarHBondContact O-ND2 2.62Å; A84-P125 HydrophobicContact CB-CB 3.81Å; A84-P125 HydrophobicContact CB-CG 3.6Å; A84-F127 HydrophobicContact CB-CE1 3.8Å; A84-F127 HydrophobicContact CB-CZ 3.86Å |
| 85 | V | 95.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -117.7 | 134.5 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | D83 N110 Y112 L130 | D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 2.8Å; V85-N110 WeakPolarHBondContact CG1-O 3.12Å; V85-Y112 HydrophobicContact CG2-CE2 3.84Å; V85-L130 HydrophobicContact CG2-CD1 4.18Å; V85-L130 HydrophobicContact CG2-CD2 3.82Å |
| 86 | G | 95.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.6 | -157.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C109 N110 | G86-C109 WeakPolarHBondContact O-CA 3.46Å; G86-N110 PolarHBondContact N-O 3.13Å; G86-N110 PolarHBondContact O-N 3.06Å |
| 87 | V | 95.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.6 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | F107 L108 | V87-F107 HydrophobicContact CG1-CD1 4.06Å; V87-L108 CarbonylContact C-O 3.57Å; V87-L108 WeakPolarHBondContact CA-O 3.2Å |
| 88 | T | 96.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | -169.6 | 169.3 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | Y39 V40 L108 | Y39-T88 HydrophobicContact CE2-CG2 3.84Å; V40-T88 PolarHBondContact O-OG1 3.15Å; T88-L108 HydrophobicContact CG2-CB 3.89Å; T88-L108 HydrophobicContact CG2-CD2 3.73Å; T88-L108 HydrophobicContact CG2-CG 4.09Å; T88-L108 PolarHBondContact N-O 3.45Å; T88-L108 PolarHBondContact O-N 2.86Å; T88-L108 VanDerWaalsContact O-O 3.12Å |
| 89 | I | 96.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.1 | -175.5 | -56.9 | 174.3 | 0 | 0 | 0 | 110.1 | V40 I91 Y106 F107 W168 | V40-I89 HydrophobicContact CB-CB 4.31Å; V40-I89 WeakPolarHBondContact CB-O 3.31Å; V40-I89 HydrophobicContact CG2-CB 4.06Å; V40-I89 WeakPolarHBondContact CG2-O 3.44Å; V40-I89 PolarHBondContact N-O 3.16Å; I89-I91 HydrophobicContact CG2-CD1 4.48Å; I89-I91 HydrophobicContact CG2-CG1 3.76Å; I89-Y106 VanDerWaalsContact CA-O 3.31Å; I89-Y106 WeakPolarHBondContact CA-O 3.46Å; I89-Y106 WeakPolarHBondContact CG2-O 3.21Å; I89-F107 HydrophobicContact CD1-CD1 4.49Å; I89-F107 HydrophobicContact CD1-CE1 4.24Å; I89-F107 HydrophobicContact CG1-CD1 4.07Å; I89-F107 HydrophobicContact CG1-CE1 4.31Å; I89-W168 HydrophobicContact CD1-CD2 4.05Å; I89-W168 HydrophobicContact CD1-CE3 3.81Å; I89-W168 HydrophobicContact CD1-CG 4.42Å; I89-W168 HydrophobicContact CD1-CZ3 4.23Å |
| 90 | I | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.2 | 163.4 | -173 | 157.4 | 0 | 0 | 0 | 109.4 | Y22 F24 V37 R38 L52 L92 G105 Y106 I134 | Y22-I90 HydrophobicContact CD1-CD1 3.69Å; Y22-I90 HydrophobicContact CD2-CD1 4Å; Y22-I90 HydrophobicContact CE1-CD1 3.59Å; Y22-I90 HydrophobicContact CE2-CD1 3.92Å; Y22-I90 HydrophobicContact CG-CD1 3.89Å; F24-I90 HydrophobicContact CE2-CD1 4.19Å; F24-I90 HydrophobicContact CZ-CD1 3.86Å; F24-I90 HydrophobicContact CZ-CG1 4.37Å; F24-I90 HydrophobicContact CZ-CG2 4.49Å; V37-I90 HydrophobicContact CG1-CD1 3.86Å; V37-I90 HydrophobicContact CG1-CG1 3.94Å; R38-I90 CarbonylContact O-C 3.5Å; R38-I90 WeakPolarHBondContact O-CA 3.4Å; L52-I90 HydrophobicContact CD1-CD1 4.15Å; I90-L92 HydrophobicContact CG1-CD1 4.38Å; I90-G105 WeakPolarHBondContact O-CA 3.31Å; I90-Y106 HydrophobicContact CG2-CD2 4.48Å; I90-Y106 PolarHBondContact N-O 2.9Å; I90-Y106 PolarHBondContact O-N 3.12Å; I90-I134 HydrophobicContact CG2-CD1 4.27Å |
| 91 | I | 95.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.9 | -174.4 | -53.8 | 176.8 | 0 | 0 | 0 | 109.3 | V37 R38 V40 I89 E93 K103 | V37-I91 WeakPolarHBondContact CA-O 3.47Å; R38-I91 HydrophobicContact CB-CB 4.46Å; R38-I91 PolarHBondContact N-O 2.76Å; R38-I91 PolarHBondContact O-N 2.7Å; V40-I91 HydrophobicContact CG2-CD1 3.73Å; V40-I91 HydrophobicContact CG2-CG1 4.11Å; I89-I91 HydrophobicContact CG2-CD1 4.48Å; I89-I91 HydrophobicContact CG2-CG1 3.76Å; I91-E93 HydrophobicContact CG2-CG 3.74Å; I91-K103 HydrophobicContact CG2-CB 4.39Å |
| 92 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.5 | 174.4 | -60.7 | 71.3 | 0 | 0 | 0 | 107.4 | T9 F24 F26 W35 V37 I90 K103 L104 Y106 | T9-L92 HydrophobicContact CG2-CD2 4.29Å; F24-L92 HydrophobicContact CB-CD2 4.3Å; F24-L92 HydrophobicContact CD1-CD2 3.73Å; F24-L92 HydrophobicContact CD2-CD2 4.03Å; F24-L92 HydrophobicContact CE1-CD1 4.16Å; F24-L92 HydrophobicContact CE1-CD2 3.99Å; F24-L92 HydrophobicContact CE2-CD2 4.26Å; F24-L92 HydrophobicContact CG-CD2 3.75Å; F24-L92 HydrophobicContact CZ-CD1 4.11Å; F24-L92 HydrophobicContact CZ-CD2 4.25Å; F26-L92 HydrophobicContact CE1-CD2 3.85Å; F26-L92 HydrophobicContact CE2-CD2 4.35Å; F26-L92 HydrophobicContact CZ-CD2 3.39Å; W35-L92 HydrophobicContact CE3-CB 4.3Å; W35-L92 HydrophobicContact CZ3-CB 4.03Å; V37-L92 HydrophobicContact CG2-CG 4.28Å; I90-L92 HydrophobicContact CG1-CD1 4.38Å; L92-K103 WeakPolarHBondContact O-CA 3.15Å; L92-L104 HydrophobicContact CB-CB 4.36Å; L92-L104 PolarHBondContact N-O 2.8Å; L92-L104 PolarHBondContact O-N 2.98Å; L92-Y106 HydrophobicContact CD1-CD2 3.69Å; L92-Y106 HydrophobicContact CD1-CE2 3.86Å; L92-Y106 HydrophobicContact CD2-CE2 4.41Å |
| 93 | E | 93.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.7 | -177.4 | -52.3 | -174.5 | 115 | 0 | 0 | 109.1 | W35 K36 I91 F95 K103 | W35-E93 WeakPolarHBondContact CA-O 3.38Å; K36-E93 HydrophobicContact CB-CB 4.32Å; K36-E93 PolarHBondContact N-O 3.32Å; K36-E93 PolarHBondContact O-N 3.31Å; I91-E93 HydrophobicContact CG2-CG 3.74Å; E93-F95 HydrophobicContact CB-CD2 4.31Å; E93-F95 HydrophobicContact CB-CE2 3.48Å; E93-F95 VanDerWaalsContact CB-CE2 3.48Å; E93-F95 HydrophobicContact CB-CZ 4.05Å; E93-K103 HydrophobicContact CB-CG 4.48Å; E93-K103 HydrophobicContact CG-CD 4.35Å; E93-K103 HydrophobicContact CG-CG 4.06Å; E93-K103 WeakPolarHBondContact OE1-CE 3.38Å; E93-K103 IonicContact OE1-NZ 3.95Å; E93-K103 PolarHBondContact OE1-NZ 2.66Å |
| 94 | G | 90.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | C100 F101 L102 | G94-C100 WeakPolarHBondContact O-CA 3.31Å; G94-F101 VanDerWaalsContact C-CD1 3.47Å; G94-F101 WeakPolarHBondContact O-CD1 3.5Å; G94-F101 WeakPolarHBondContact O-CE1 3.22Å; G94-F101 PolarHBondContact O-N 2.88Å; G94-L102 PolarHBondContact N-O 3.28Å |
| 95 | F | 91.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.6 | 178.6 | -62.1 | -99.2 | 0 | 0 | 0 | 111.8 | L33 E34 K36 E93 N99 C100 | L33-F95 WeakPolarHBondContact CA-O 3.5Å; E34-F95 HydrophobicContact CB-CB 4.11Å; E34-F95 PolarHBondContact N-O 3.1Å; E34-F95 PolarHBondContact O-N 3.18Å; K36-F95 HydrophobicContact CB-CD2 4.47Å; K36-F95 HydrophobicContact CB-CE2 3.91Å; K36-F95 HydrophobicContact CD-CE2 4.38Å; E93-F95 HydrophobicContact CB-CD2 4.31Å; E93-F95 HydrophobicContact CB-CE2 3.48Å; E93-F95 VanDerWaalsContact CB-CE2 3.48Å; E93-F95 HydrophobicContact CB-CZ 4.05Å; F95-N99 CarbonylContact C-O 3.58Å; F95-N99 VanDerWaalsContact CA-O 3.29Å; F95-N99 WeakPolarHBondContact CA-O 3.37Å; F95-C100 HydrophobicContact CD1-CB 3.79Å; F95-C100 HydrophobicContact CE1-CB 3.52Å; F95-C100 HydrophobicContact CZ-CB 4.1Å |
| 96 | Y | 87.4 | Confident | 92.6 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.2 | 169.3 | 178.5 | -112.5 | 0 | 0 | 0 | 108.9 | L31 D32 L33 G98 N99 I146 W148 | L31-Y96 HydrophobicContact CB-CD2 4.29Å; L31-Y96 HydrophobicContact CB-CE2 3.95Å; L31-Y96 HydrophobicContact CD1-CD2 4.14Å; L31-Y96 HydrophobicContact CD1-CE1 4.38Å; L31-Y96 HydrophobicContact CD1-CE2 3.68Å; L31-Y96 HydrophobicContact CD2-CE2 4.47Å; L31-Y96 HydrophobicContact CG-CE2 4.26Å; D32-Y96 VanDerWaalsContact O-CD2 3.32Å; D32-Y96 WeakPolarHBondContact O-CD2 3.34Å; L33-Y96 HydrophobicContact CD2-CD2 3.93Å; L33-Y96 HydrophobicContact CD2-CG 4.42Å; Y96-G98 PolarHBondContact O-N 2.64Å; Y96-N99 PolarHBondContact N-O 3.26Å; Y96-N99 PolarHBondContact O-N 3.39Å; Y96-I146 HydrophobicContact CD1-CD1 4.05Å; Y96-I146 HydrophobicContact CG-CD1 4.42Å; Y96-W148 HydrophobicContact CD1-CD2 4.45Å; Y96-W148 AromaticContact CD1-CE3 3.55Å; Y96-W148 HydrophobicContact CD1-CE3 3.55Å; Y96-W148 AromaticContact CD1-CZ3 3.84Å; Y96-W148 HydrophobicContact CD1-CZ3 3.84Å; Y96-W148 HydrophobicContact CD2-CZ3 4.33Å; Y96-W148 AromaticContact CE1-CE3 3.93Å; Y96-W148 HydrophobicContact CE1-CE3 3.93Å; Y96-W148 AromaticContact CG-CE3 3.91Å; Y96-W148 HydrophobicContact CG-CE3 3.91Å; Y96-W148 AromaticContact CG-CZ3 3.7Å; Y96-W148 HydrophobicContact CG-CZ3 3.7Å |
| 97 | R | 86.3 | Confident | 92.7 | Very high | 140 Ų | 140 | 31 Ų | 31 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41.4 | -176.3 | -61.8 | 179.6 | 170.7 | 164.4 | 0.1 | 113 | N99 | R97-N99 VanDerWaalsContact C-N 3.27Å; R97-N99 PolarHBondContact O-N 3.08Å; R97-N99 PolarHBondContact O-ND2 2.86Å |
| 98 | G | 88.7 | Confident | 92.7 | Very high | 62 Ų | 62 | 26.7 Ų | 26.7 | 64% | 0.639 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y96 | Y96-G98 PolarHBondContact O-N 2.64Š|
| 99 | N | 90.6 | Very high | 92.7 | Very high | 71 Ų | 71 | 28.6 Ų | 28.6 | 38% | 0.38 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123 | 176.3 | -60.4 | -73.6 | 0 | 0 | 0 | 110.3 | F95 Y96 R97 F101 I146 | F95-N99 CarbonylContact C-O 3.58Å; F95-N99 VanDerWaalsContact CA-O 3.29Å; F95-N99 WeakPolarHBondContact CA-O 3.37Å; Y96-N99 PolarHBondContact N-O 3.26Å; Y96-N99 PolarHBondContact O-N 3.39Å; R97-N99 VanDerWaalsContact C-N 3.27Å; R97-N99 PolarHBondContact O-N 3.08Å; R97-N99 PolarHBondContact O-ND2 2.86Å; N99-F101 PolarHBondContact O-N 2.94Å; N99-I146 HydrophobicContact CB-CB 4.26Å; N99-I146 HydrophobicContact CB-CD1 4.27Å; N99-I146 HydrophobicContact CB-CG2 3.87Å |
| 100 | C | 91.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | G94 F95 L102 F144 I146 | G94-C100 WeakPolarHBondContact O-CA 3.31Å; F95-C100 HydrophobicContact CD1-CB 3.79Å; F95-C100 HydrophobicContact CE1-CB 3.52Å; F95-C100 HydrophobicContact CZ-CB 4.1Å; C100-L102 PolarHBondContact SG-O 3.32Å; C100-F144 WeakPolarHBondContact O-CB 3.16Å; C100-I146 WeakPolarHBondContact O-CG2 3Å |
| 101 | F | 89.9 | Confident | 92.8 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -15.2 | 178.6 | 68.2 | -90.7 | 0 | 0 | 0 | 112.4 | V4 L33 G94 N99 F144 I146 W148 | V4-F101 HydrophobicContact CB-CE2 4.14Å; V4-F101 HydrophobicContact CG1-CE2 3.98Å; V4-F101 HydrophobicContact CG2-CD2 4.06Å; V4-F101 HydrophobicContact CG2-CE2 3.62Å; V4-F101 HydrophobicContact CG2-CZ 4.17Å; L33-F101 HydrophobicContact CD1-CE1 4.17Å; L33-F101 HydrophobicContact CD1-CZ 3.77Å; L33-F101 HydrophobicContact CD2-CE1 4Å; L33-F101 HydrophobicContact CD2-CZ 4.34Å; G94-F101 VanDerWaalsContact C-CD1 3.47Å; G94-F101 WeakPolarHBondContact O-CD1 3.5Å; G94-F101 WeakPolarHBondContact O-CE1 3.22Å; G94-F101 PolarHBondContact O-N 2.88Å; N99-F101 PolarHBondContact O-N 2.94Å; F101-F144 PolarHBondContact O-N 2.65Å; F101-I146 HydrophobicContact CB-CD1 3.65Å; F101-I146 HydrophobicContact CB-CG1 3.76Å; F101-I146 HydrophobicContact CB-CG2 4.14Å; F101-I146 HydrophobicContact CG-CD1 4.43Å; F101-W148 HydrophobicContact CB-CH2 4.03Å; F101-W148 HydrophobicContact CB-CZ2 4.02Å; F101-W148 HydrophobicContact CD1-CH2 4.04Å; F101-W148 AromaticContact CD2-CH2 3.88Å; F101-W148 HydrophobicContact CD2-CH2 3.88Å; F101-W148 HydrophobicContact CD2-CZ2 4.24Å; F101-W148 HydrophobicContact CE2-CH2 4.39Å; F101-W148 AromaticContact CG-CH2 3.71Å; F101-W148 HydrophobicContact CG-CH2 3.71Å; F101-W148 HydrophobicContact CG-CZ2 4.14Å |
| 102 | L | 90.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 160.3 | 169.5 | 67.7 | 85.6 | 0 | 0 | 0 | 113.1 | L7 W35 G94 C100 L104 L141 T142 L143 | L7-L102 HydrophobicContact CD1-CD1 4.42Å; L7-L102 HydrophobicContact CD1-CD2 3.38Å; L7-L102 HydrophobicContact CD1-CG 4.47Å; L7-L102 HydrophobicContact CG-CD2 4.28Å; W35-L102 HydrophobicContact CH2-CD1 3.78Å; W35-L102 HydrophobicContact CZ3-CD1 3.91Å; G94-L102 PolarHBondContact N-O 3.28Å; C100-L102 PolarHBondContact SG-O 3.32Å; L102-L104 HydrophobicContact CD1-CB 4.37Å; L102-L141 HydrophobicContact CB-CD1 4.24Å; L102-T142 CarbonylContact C-O 3.53Å; L102-T142 WeakPolarHBondContact CA-O 3.32Å; L102-T142 WeakPolarHBondContact CB-O 3.46Å; L102-L143 HydrophobicContact CB-CD2 3.63Å; L102-L143 HydrophobicContact CD2-CD2 4.28Å |
| 103 | K | 93 | Very high | 92.8 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.4 | 163.7 | -63.9 | -172.8 | -170.4 | -149.3 | 0 | 109.3 | I91 L92 E93 T142 F144 | I91-K103 HydrophobicContact CG2-CB 4.39Å; L92-K103 WeakPolarHBondContact O-CA 3.15Å; E93-K103 HydrophobicContact CB-CG 4.48Å; E93-K103 HydrophobicContact CG-CD 4.35Å; E93-K103 HydrophobicContact CG-CG 4.06Å; E93-K103 WeakPolarHBondContact OE1-CE 3.38Å; E93-K103 IonicContact OE1-NZ 3.95Å; E93-K103 PolarHBondContact OE1-NZ 2.66Å; K103-T142 PolarHBondContact N-O 2.82Å; K103-T142 PolarHBondContact O-N 2.97Å; K103-F144 HydrophobicContact CB-CE2 4.31Å; K103-F144 HydrophobicContact CD-CE2 4.17Å; K103-F144 HydrophobicContact CD-CZ 4.41Å; K103-F144 HydrophobicContact CG-CE2 3.81Å |
| 104 | L | 92.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 107.9 | 176 | -174 | 68.2 | 0 | 0 | 0 | 108 | T9 L92 L102 Y106 P139 R140 L141 | T9-L104 HydrophobicContact CG2-CD2 4.28Å; L92-L104 HydrophobicContact CB-CB 4.36Å; L92-L104 PolarHBondContact N-O 2.8Å; L92-L104 PolarHBondContact O-N 2.98Å; L102-L104 HydrophobicContact CD1-CB 4.37Å; L104-Y106 HydrophobicContact CD2-CE2 3.65Å; L104-Y106 WeakPolarHBondContact CD2-OH 3.49Å; L104-Y106 HydrophobicContact CG-CD2 4.46Å; L104-Y106 HydrophobicContact CG-CE2 3.77Å; L104-P139 HydrophobicContact CD1-CB 3.7Å; L104-P139 HydrophobicContact CD1-CG 4.24Å; L104-P139 HydrophobicContact CG-CB 4.32Å; L104-R140 WeakPolarHBondContact CA-O 3.4Å; L104-L141 HydrophobicContact CD1-CB 4.06Å; L104-L141 HydrophobicContact CD1-CD1 4.12Å |
| 105 | G | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I90 P139 R140 | I90-G105 WeakPolarHBondContact O-CA 3.31Å; G105-P139 WeakPolarHBondContact O-CA 3.37Å; G105-R140 PolarHBondContact N-O 3.29Å; G105-R140 PolarHBondContact O-N 2.97Å |
| 106 | Y | 95.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.5 | 169.7 | -64.6 | -94.8 | 0 | 0 | 0 | 110 | T9 V11 F24 I89 I90 L92 L104 I134 D136 P139 | T9-Y106 VanDerWaalsContact CB-OH 3.31Å; T9-Y106 WeakPolarHBondContact CB-OH 3.3Å; T9-Y106 WeakPolarHBondContact CG2-OH 3.25Å; T9-Y106 PolarHBondContact O-OH 3.43Å; V11-Y106 HydrophobicContact CG2-CD1 4.22Å; V11-Y106 HydrophobicContact CG2-CE1 3.79Å; V11-Y106 HydrophobicContact CG2-CE2 4.49Å; F24-Y106 HydrophobicContact CE1-CE2 4.45Å; I89-Y106 VanDerWaalsContact CA-O 3.31Å; I89-Y106 WeakPolarHBondContact CA-O 3.46Å; I89-Y106 WeakPolarHBondContact CG2-O 3.21Å; I90-Y106 HydrophobicContact CG2-CD2 4.48Å; I90-Y106 PolarHBondContact N-O 2.9Å; I90-Y106 PolarHBondContact O-N 3.12Å; L92-Y106 HydrophobicContact CD1-CD2 3.69Å; L92-Y106 HydrophobicContact CD1-CE2 3.86Å; L92-Y106 HydrophobicContact CD2-CE2 4.41Å; L104-Y106 HydrophobicContact CD2-CE2 3.65Å; L104-Y106 WeakPolarHBondContact CD2-OH 3.49Å; L104-Y106 HydrophobicContact CG-CD2 4.46Å; L104-Y106 HydrophobicContact CG-CE2 3.77Å; Y106-I134 HydrophobicContact CD1-CG2 3.79Å; Y106-I134 HydrophobicContact CG-CG2 3.86Å; Y106-D136 HydrophobicContact CE1-CB 4.36Å; Y106-P139 HydrophobicContact CD1-CB 3.81Å; Y106-P139 HydrophobicContact CE1-CB 3.56Å; Y106-P139 HydrophobicContact CE1-CG 4.12Å; Y106-P139 HydrophobicContact CG-CB 4.4Å |
| 107 | F | 96.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 18% | 0.18 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.8 | 166.4 | -65.6 | -76 | 0 | 0 | 0 | 109.8 | V87 I89 I134 L135 R140 W168 | V87-F107 HydrophobicContact CG1-CD1 4.06Å; I89-F107 HydrophobicContact CD1-CD1 4.49Å; I89-F107 HydrophobicContact CD1-CE1 4.24Å; I89-F107 HydrophobicContact CG1-CD1 4.07Å; I89-F107 HydrophobicContact CG1-CE1 4.31Å; F107-I134 CarbonylContact O-C 3.55Å; F107-I134 WeakPolarHBondContact O-CA 3.38Å; F107-L135 HydrophobicContact CB-CB 4.13Å; F107-L135 HydrophobicContact CD2-CD2 4.37Å; F107-L135 PolarHBondContact O-N 2.88Å; F107-R140 HydrophobicContact CE2-CG 4.24Å; F107-W168 HydrophobicContact CE1-CE3 4.08Å; F107-W168 HydrophobicContact CE2-CE3 4.39Å; F107-W168 AromaticContact CZ-CE3 3.71Å; F107-W168 HydrophobicContact CZ-CE3 3.71Å; F107-W168 HydrophobicContact CZ-CZ3 4.28Å |
| 108 | L | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.6 | 179.2 | 179 | 73.6 | 0 | 0 | 0 | 107.6 | Y22 Y39 V87 T88 R132 K133 I134 | Y22-L108 HydrophobicContact CE1-CD1 4.41Å; Y39-L108 HydrophobicContact CD2-CD2 3.96Å; Y39-L108 HydrophobicContact CE2-CD2 3.48Å; Y39-L108 VanDerWaalsContact CE2-CD2 3.48Å; V87-L108 CarbonylContact C-O 3.57Å; V87-L108 WeakPolarHBondContact CA-O 3.2Å; T88-L108 HydrophobicContact CG2-CB 3.89Å; T88-L108 HydrophobicContact CG2-CD2 3.73Å; T88-L108 HydrophobicContact CG2-CG 4.09Å; T88-L108 PolarHBondContact N-O 3.45Å; T88-L108 PolarHBondContact O-N 2.86Å; T88-L108 VanDerWaalsContact O-O 3.12Å; L108-R132 HydrophobicContact CD1-CB 3.92Å; L108-R132 HydrophobicContact CD1-CG 4.09Å; L108-K133 CarbonylContact C-O 3.42Å; L108-K133 WeakPolarHBondContact CA-O 3.35Å; L108-I134 HydrophobicContact CD1-CB 4.42Å; L108-I134 HydrophobicContact CD1-CD1 4.26Å; L108-I134 HydrophobicContact CD1-CG1 3.34Å |
| 109 | C | 96.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.1 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | G86 R132 K133 | G86-C109 WeakPolarHBondContact O-CA 3.46Å; C109-R132 CarbonylContact O-C 3.53Å; C109-R132 WeakPolarHBondContact O-CA 3.15Å; C109-K133 PolarHBondContact N-O 2.76Å; C109-K133 PolarHBondContact O-N 3.25Å |
| 110 | N | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.5 | 172.3 | -61.6 | -35.6 | 0 | 0 | 0 | 108.8 | F18 Y39 A84 V85 G86 S131 R132 | F18-N110 HydrophobicContact CD2-CB 4.43Å; Y39-N110 PolarHBondContact OH-ND2 3.24Å; A84-N110 VanDerWaalsContact O-CB 3.29Å; A84-N110 WeakPolarHBondContact O-CB 3.45Å; A84-N110 PolarHBondContact O-ND2 2.62Å; V85-N110 WeakPolarHBondContact CG1-O 3.12Å; G86-N110 PolarHBondContact N-O 3.13Å; G86-N110 PolarHBondContact O-N 3.06Å; N110-S131 WeakPolarHBondContact CA-O 3.49Å; N110-R132 VanDerWaalsContact OD1-CB 3.23Å; N110-R132 WeakPolarHBondContact OD1-CB 3.37Å |
| 111 | D | 96.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158 | -177.6 | -163.9 | 11.3 | 0 | 0 | 0 | 111.2 | R118 S131 | D111-R118 WeakPolarHBondContact OD1-CD 3.39Å; D111-R118 WeakPolarHBondContact OD1-CG 3.37Å; D111-R118 WeakPolarHBondContact OD2-CD 3.28Å; D111-S131 PolarHBondContact N-O 2.74Å; D111-S131 PolarHBondContact O-N 2.74Å |
| 112 | Y | 97.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.7 | 175.5 | -70.2 | -74.1 | 0 | 0 | 0 | 111.1 | V85 L117 R118 P121 P122 P125 I126 K129 L130 | V85-Y112 HydrophobicContact CG2-CE2 3.84Å; Y112-L117 HydrophobicContact CD1-CB 4.02Å; Y112-L117 HydrophobicContact CD1-CD1 3.91Å; Y112-L117 HydrophobicContact CD2-CB 4.14Å; Y112-L117 HydrophobicContact CE1-CD1 4.3Å; Y112-L117 HydrophobicContact CG-CB 3.75Å; Y112-L117 HydrophobicContact CG-CD1 4.48Å; Y112-R118 WeakPolarHBondContact O-CD 3.47Å; Y112-R118 VanDerWaalsContact O-CG 3.25Å; Y112-R118 WeakPolarHBondContact O-CG 3.38Å; Y112-R118 PolarHBondContact O-NE 3.29Å; Y112-P121 HydrophobicContact CE2-CB 4.32Å; Y112-P122 WeakPolarHBondContact OH-CG 3.39Å; Y112-P125 WeakPolarHBondContact OH-CA 3.48Å; Y112-I126 HydrophobicContact CE1-CB 4.33Å; Y112-I126 PolarHBondContact OH-N 2.93Å; Y112-K129 HydrophobicContact CD1-CB 4.11Å; Y112-K129 HydrophobicContact CE1-CB 4.37Å; Y112-L130 HydrophobicContact CD1-CD2 3.54Å; Y112-L130 HydrophobicContact CD1-CG 4.23Å; Y112-L130 HydrophobicContact CD2-CD2 3.97Å; Y112-L130 HydrophobicContact CE1-CD2 3.52Å; Y112-L130 HydrophobicContact CE1-CG 3.95Å; Y112-L130 HydrophobicContact CE2-CD2 3.96Å; Y112-L130 HydrophobicContact CG-CD2 3.76Å |
| 113 | E | 92.6 | Very high | 94.8 | Very high | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -70.4 | -36.5 | 173.9 | -59.1 | -170.2 | 162.4 | 0 | 0 | 111.4 | P115 K129 S131 | E113-P115 WeakPolarHBondContact O-CD 3.25Å; E113-K129 PolarHBondContact N-O 3.04Å; E113-S131 WeakPolarHBondContact OE1-CB 3.37Å; E113-S131 PolarHBondContact OE1-OG 2.86Å |
| 114 | D | 95.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 65.3 Ų | 65.3 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72.1 | 118.6 | 179.7 | -69.3 | -30 | 0 | 0 | 0 | 110.7 | E116 L117 R118 K129 | D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 3.44Å; D114-L117 HydrophobicContact CB-CB 4.1Å; D114-L117 HydrophobicContact CB-CD1 3.97Å; D114-L117 HydrophobicContact CB-CG 3.97Å; D114-L117 PolarHBondContact O-N 2.8Å; D114-L117 VanDerWaalsContact O-N 3.11Å; D114-R118 PolarHBondContact O-N 3.25Å; D114-R118 VanDerWaalsContact O-N 3.16Å; D114-K129 IonicContact OD2-NZ 2.8Å; D114-K129 PolarHBondContact OD2-NZ 2.84Å |
| 115 | P | 95.4 | Very high | 94.9 | Very high | 73 Ų | 73 | 65.3 Ų | 65.3 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.5 | -38.3 | 178.8 | -24.3 | 33.3 | 0 | 0 | 0 | 113.8 | E113 L117 R118 E119 | E113-P115 WeakPolarHBondContact O-CD 3.25Å; P115-L117 VanDerWaalsContact C-N 3.29Å; P115-L117 PolarHBondContact O-N 2.52Å; P115-R118 WeakPolarHBondContact O-CB 3.2Å; P115-R118 PolarHBondContact O-N 3.08Å; P115-R118 VanDerWaalsContact O-N 3.11Å; P115-E119 PolarHBondContact O-N 2.79Å |
| 116 | E | 95.3 | Very high | 95 | Very high | 158 Ų | 158 | 68.5 Ų | 68.5 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 178.1 | -65.6 | -174.8 | 171.2 | 0 | 0 | 112.3 | D114 N120 | D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 3.44Å; E116-N120 WeakPolarHBondContact O-CB 3.5Å; E116-N120 PolarHBondContact O-N 3.12Å |
| 117 | L | 94.8 | Very high | 95 | Very high | 31 Ų | 31 | 69.9 Ų | 69.9 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.2 | -24.2 | 176.4 | -67.6 | -179.3 | 0 | 0 | 0 | 112.5 | Y112 D114 P115 N120 P121 K129 | Y112-L117 HydrophobicContact CD1-CB 4.02Å; Y112-L117 HydrophobicContact CD1-CD1 3.91Å; Y112-L117 HydrophobicContact CD2-CB 4.14Å; Y112-L117 HydrophobicContact CE1-CD1 4.3Å; Y112-L117 HydrophobicContact CG-CB 3.75Å; Y112-L117 HydrophobicContact CG-CD1 4.48Å; D114-L117 HydrophobicContact CB-CB 4.1Å; D114-L117 HydrophobicContact CB-CD1 3.97Å; D114-L117 HydrophobicContact CB-CG 3.97Å; D114-L117 PolarHBondContact O-N 2.8Å; D114-L117 VanDerWaalsContact O-N 3.11Å; P115-L117 VanDerWaalsContact C-N 3.29Å; P115-L117 PolarHBondContact O-N 2.52Å; L117-N120 CarbonylContact O-C 3.51Å; L117-P121 WeakPolarHBondContact O-CA 3.3Å; L117-K129 HydrophobicContact CD1-CB 4.28Å; L117-K129 HydrophobicContact CD1-CD 3.37Å |
| 118 | R | 93.3 | Very high | 94.9 | Very high | 126 Ų | 126 | 76 Ų | 76 | 48% | 0.475 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73.1 | -44.1 | 172.1 | -71.2 | -169.8 | -78.2 | 147.2 | 2 | 111.9 | D111 Y112 D114 P115 | D111-R118 WeakPolarHBondContact OD1-CD 3.39Å; D111-R118 WeakPolarHBondContact OD1-CG 3.37Å; D111-R118 WeakPolarHBondContact OD2-CD 3.28Å; Y112-R118 WeakPolarHBondContact O-CD 3.47Å; Y112-R118 VanDerWaalsContact O-CG 3.25Å; Y112-R118 WeakPolarHBondContact O-CG 3.38Å; Y112-R118 PolarHBondContact O-NE 3.29Å; D114-R118 PolarHBondContact O-N 3.25Å; D114-R118 VanDerWaalsContact O-N 3.16Å; P115-R118 WeakPolarHBondContact O-CB 3.2Å; P115-R118 PolarHBondContact O-N 3.08Å; P115-R118 VanDerWaalsContact O-N 3.11Å |
| 119 | E | 95.1 | Very high | 94.9 | Very high | 152 Ų | 152 | 80.4 Ų | 80.4 | 71% | 0.71 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70.6 | -34.9 | 177.7 | -69.7 | 178.1 | -173.6 | 0 | 0 | 111.9 | P115 | P115-E119 PolarHBondContact O-N 2.79Å |
| 120 | N | 94.9 | Very high | 95 | Very high | 117 Ų | 117 | 78 Ų | 78 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -129 | 74.3 | -178.7 | -58.7 | -81.5 | 0 | 0 | 0 | 110.6 | E116 L117 | E116-N120 WeakPolarHBondContact O-CB 3.5Å; E116-N120 PolarHBondContact O-N 3.12Å; L117-N120 CarbonylContact O-C 3.51Å |
| 121 | P | 92.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 78.9 Ų | 78.9 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | trans | -65.7 | 134.9 | -177.2 | 26.2 | -33.6 | 0 | 0 | 0 | 111.3 | Y112 L117 | Y112-P121 HydrophobicContact CE2-CB 4.32Å; L117-P121 WeakPolarHBondContact O-CA 3.3Å | ||
| 122 | P | 93.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 76.2 Ų | 76.2 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | trans | -68.2 | 149.6 | 177.5 | 29 | -34.3 | 0 | 0 | 0 | 110.9 | Y112 V124 I126 | Y112-P122 WeakPolarHBondContact OH-CG 3.39Å; P122-V124 WeakPolarHBondContact CG-O 3.47Å; P122-V124 PolarHBondContact O-N 2.79Å; P122-I126 HydrophobicContact CB-CD1 4.49Å; P122-I126 HydrophobicContact CG-CD1 3.98Å; P122-I126 HydrophobicContact CG-CG1 4Å | ||
| 123 | A | 90.6 | Very high | 94.9 | Very high | 105 Ų | 105 | 82 Ų | 82 | 87% | 0.868 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -62.4 | -25.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 124 | V | 93.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -113.7 | 121.3 | 171.3 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | P122 I126 | P122-V124 WeakPolarHBondContact CG-O 3.47Å; P122-V124 PolarHBondContact O-N 2.79Å; V124-I126 PolarHBondContact O-N 2.84Å |
| 125 | P | 95 | Very high | 95.1 | Very high | 14 Ų | 14 | 77 Ų | 77 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | trans | -58.8 | 136.7 | 179.9 | -25.6 | 33.4 | 0 | 0 | 0 | 113 | P81 A84 Y112 F127 | P81-P125 HydrophobicContact CB-CG 4.16Å; P81-P125 VanDerWaalsContact O-CG 3.27Å; P81-P125 WeakPolarHBondContact O-CG 3.26Å; A84-P125 HydrophobicContact CB-CB 3.81Å; A84-P125 HydrophobicContact CB-CG 3.6Å; Y112-P125 WeakPolarHBondContact OH-CA 3.48Å; P125-F127 HydrophobicContact CB-CE2 4.13Å; P125-F127 HydrophobicContact CB-CZ 4.23Å | ||
| 126 | I | 96 | Very high | 94.8 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 35% | 0.349 | 40% | 0.402 | S | S | . | . | trans | -102.8 | 85.4 | 177.1 | -51.1 | 171.7 | 0 | 0 | 0 | 108.2 | Y112 P122 V124 E128 K129 L130 | Y112-I126 HydrophobicContact CE1-CB 4.33Å; Y112-I126 PolarHBondContact OH-N 2.93Å; P122-I126 HydrophobicContact CB-CD1 4.49Å; P122-I126 HydrophobicContact CG-CD1 3.98Å; P122-I126 HydrophobicContact CG-CG1 4Å; V124-I126 PolarHBondContact O-N 2.84Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.13Å; I126-K129 HydrophobicContact CG2-CB 4.3Å; I126-K129 HydrophobicContact CG2-CD 4.29Å; I126-K129 HydrophobicContact CG2-CG 4.02Å; I126-K129 PolarHBondContact O-N 2.85Å; I126-L130 PolarHBondContact O-N 2.84Å | ||
| 127 | F | 95.6 | Very high | 94.6 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -57.7 | -28.7 | -173.9 | -65.2 | -86.4 | 0 | 0 | 0 | 114.7 | F18 L19 P76 I79 A84 P125 K129 L130 | F18-F127 HydrophobicContact CD1-CB 4.09Å; F18-F127 AromaticContact CD1-CD1 3.76Å; F18-F127 HydrophobicContact CD1-CD1 3.76Å; F18-F127 HydrophobicContact CD1-CG 4.4Å; F18-F127 HydrophobicContact CE1-CB 4.39Å; F18-F127 AromaticContact CE1-CD1 3.37Å; F18-F127 HydrophobicContact CE1-CD1 3.37Å; F18-F127 AromaticContact CE1-CE1 3.98Å; F18-F127 HydrophobicContact CE1-CE1 3.98Å; F18-F127 HydrophobicContact CE1-CG 4.25Å; F18-F127 HydrophobicContact CE2-CD1 4.18Å; F18-F127 HydrophobicContact CE2-CE1 4.45Å; F18-F127 HydrophobicContact CG-CD1 4.35Å; F18-F127 AromaticContact CZ-CD1 3.6Å; F18-F127 HydrophobicContact CZ-CD1 3.6Å; F18-F127 AromaticContact CZ-CE1 3.81Å; F18-F127 HydrophobicContact CZ-CE1 3.81Å; L19-F127 HydrophobicContact CD2-CB 4.4Å; P76-F127 HydrophobicContact CB-CB 4.25Å; P76-F127 HydrophobicContact CB-CD1 3.83Å; P76-F127 HydrophobicContact CB-CD2 3.51Å; P76-F127 HydrophobicContact CB-CE1 3.93Å; P76-F127 HydrophobicContact CB-CE2 3.62Å; P76-F127 HydrophobicContact CB-CG 3.6Å; P76-F127 HydrophobicContact CB-CZ 3.82Å; P76-F127 HydrophobicContact CG-CB 4.35Å; P76-F127 HydrophobicContact CG-CD1 4.4Å; P76-F127 HydrophobicContact CG-CD2 4.46Å; P76-F127 HydrophobicContact CG-CG 4.17Å; P76-F127 WeakPolarHBondContact O-CZ 3.36Å; I79-F127 HydrophobicContact CD1-CE1 4.1Å; A84-F127 HydrophobicContact CB-CE1 3.8Å; A84-F127 HydrophobicContact CB-CZ 3.86Å; P125-F127 HydrophobicContact CB-CE2 4.13Å; P125-F127 HydrophobicContact CB-CZ 4.23Å; F127-K129 PolarHBondContact O-N 2.82Å; F127-L130 HydrophobicContact CD1-CD1 3.89Å; F127-L130 HydrophobicContact CE1-CD1 4.43Å; F127-L130 HydrophobicContact CG-CD1 4.46Å; F127-L130 PolarHBondContact O-N 2.79Å |
| 128 | E | 95.8 | Very high | 94.3 | Very high | 169 Ų | 169 | 76 Ų | 76 | 79% | 0.79 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -64.9 | -20 | 175.7 | -64 | 179.8 | 177.5 | 0 | 0 | 113.5 | L19 I126 | L19-E128 HydrophobicContact CD1-CG 3.97Å; I126-E128 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact O-N 3.13Å |
| 129 | K | 96.3 | Very high | 94.2 | Very high | 93 Ų | 93 | 72.2 Ų | 72.2 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -105.8 | -1.1 | 179.1 | -67.8 | -167.6 | 162.5 | -146.7 | 0 | 113.5 | Y112 E113 D114 L117 I126 F127 | Y112-K129 HydrophobicContact CD1-CB 4.11Å; Y112-K129 HydrophobicContact CE1-CB 4.37Å; E113-K129 PolarHBondContact N-O 3.04Å; D114-K129 IonicContact OD2-NZ 2.8Å; D114-K129 PolarHBondContact OD2-NZ 2.84Å; L117-K129 HydrophobicContact CD1-CB 4.28Å; L117-K129 HydrophobicContact CD1-CD 3.37Å; I126-K129 HydrophobicContact CG2-CB 4.3Å; I126-K129 HydrophobicContact CG2-CD 4.29Å; I126-K129 HydrophobicContact CG2-CG 4.02Å; I126-K129 PolarHBondContact O-N 2.85Å; F127-K129 PolarHBondContact O-N 2.82Å |
| 130 | L | 97.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 138.8 | 174.5 | -69.4 | 176.4 | 0 | 0 | 0 | 109.6 | F18 V85 Y112 I126 F127 | F18-L130 HydrophobicContact CB-CB 3.68Å; F18-L130 VanDerWaalsContact CB-O 3.26Å; F18-L130 WeakPolarHBondContact CB-O 3.38Å; F18-L130 HydrophobicContact CD2-CB 4.17Å; F18-L130 HydrophobicContact CD2-CD1 4.33Å; F18-L130 HydrophobicContact CG-CB 4.09Å; F18-L130 PolarHBondContact N-O 3.4Å; V85-L130 HydrophobicContact CG2-CD1 4.18Å; V85-L130 HydrophobicContact CG2-CD2 3.82Å; Y112-L130 HydrophobicContact CD1-CD2 3.54Å; Y112-L130 HydrophobicContact CD1-CG 4.23Å; Y112-L130 HydrophobicContact CD2-CD2 3.97Å; Y112-L130 HydrophobicContact CE1-CD2 3.52Å; Y112-L130 HydrophobicContact CE1-CG 3.95Å; Y112-L130 HydrophobicContact CE2-CD2 3.96Å; Y112-L130 HydrophobicContact CG-CD2 3.76Å; I126-L130 PolarHBondContact O-N 2.84Å; F127-L130 HydrophobicContact CD1-CD1 3.89Å; F127-L130 HydrophobicContact CE1-CD1 4.43Å; F127-L130 HydrophobicContact CG-CD1 4.46Å; F127-L130 PolarHBondContact O-N 2.79Å |
| 131 | S | 96.9 | Very high | 94 | Very high | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.6 | 163.9 | -143.9 | 0 | 0 | 0 | 0 | 108.1 | A16 N110 D111 E113 | A16-S131 PolarHBondContact O-OG 3.22Å; N110-S131 WeakPolarHBondContact CA-O 3.49Å; D111-S131 PolarHBondContact N-O 2.74Å; D111-S131 PolarHBondContact O-N 2.74Å; E113-S131 WeakPolarHBondContact OE1-CB 3.37Å; E113-S131 PolarHBondContact OE1-OG 2.86Å |
| 132 | R | 96.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 67 Ų | 67 | 2% | 0.023 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.7 | 174.5 | 78.2 | -177.7 | -177 | -148.3 | -6.7 | 110.4 | P15 A16 F18 S20 P21 Y22 E74 L108 C109 N110 | P15-R132 WeakPolarHBondContact CA-O 3.07Å; A16-R132 PolarHBondContact N-O 2.8Å; A16-R132 PolarHBondContact O-N 3.46Å; F18-R132 PolarHBondContact O-NH1 2.54Å; S20-R132 PolarHBondContact O-NH1 3.43Å; S20-R132 PolarHBondContact O-NH2 2.87Å; S20-R132 PolarHBondContact OG-NH2 2.96Å; P21-R132 PolarHBondContact O-NH2 3.42Å; P21-R132 VanDerWaalsContact O-NH2 3.12Å; Y22-R132 PolarHBondContact OH-NH1 3.36Å; E74-R132 IonicContact OE2-NH1 3.1Å; L108-R132 HydrophobicContact CD1-CB 3.92Å; L108-R132 HydrophobicContact CD1-CG 4.09Å; C109-R132 CarbonylContact O-C 3.53Å; C109-R132 WeakPolarHBondContact O-CA 3.15Å; N110-R132 VanDerWaalsContact OD1-CB 3.23Å; N110-R132 WeakPolarHBondContact OD1-CB 3.37Å |
| 133 | K | 97 | Very high | 93.8 | Very high | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.2 | 178.4 | -174.9 | -179.2 | 177.2 | -174.9 | 0 | 110.1 | N14 P15 L108 C109 | N14-K133 WeakPolarHBondContact OD1-CA 3.29Å; P15-K133 HydrophobicContact CB-CB 4.23Å; P15-K133 HydrophobicContact CB-CG 4.39Å; L108-K133 CarbonylContact C-O 3.42Å; L108-K133 WeakPolarHBondContact CA-O 3.35Å; C109-K133 PolarHBondContact N-O 2.76Å; C109-K133 PolarHBondContact O-N 3.25Å |
| 134 | I | 96.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.7 | 173 | -65.4 | 172.1 | 0 | 0 | 0 | 108.8 | V11 N14 Y22 F24 I90 Y106 F107 L108 D136 | V11-I134 HydrophobicContact CG1-CB 4.13Å; V11-I134 HydrophobicContact CG1-CD1 3.63Å; V11-I134 HydrophobicContact CG1-CG1 4.42Å; V11-I134 HydrophobicContact CG1-CG2 4.29Å; V11-I134 HydrophobicContact CG2-CG2 4.06Å; N14-I134 PolarHBondContact ND2-O 2.7Å; N14-I134 PolarHBondContact OD1-N 2.89Å; Y22-I134 HydrophobicContact CD1-CD1 3.78Å; Y22-I134 HydrophobicContact CE1-CD1 4.01Å; F24-I134 HydrophobicContact CE1-CD1 4.31Å; F24-I134 HydrophobicContact CZ-CD1 4.3Å; I90-I134 HydrophobicContact CG2-CD1 4.27Å; Y106-I134 HydrophobicContact CD1-CG2 3.79Å; Y106-I134 HydrophobicContact CG-CG2 3.86Å; F107-I134 CarbonylContact O-C 3.55Å; F107-I134 WeakPolarHBondContact O-CA 3.38Å; L108-I134 HydrophobicContact CD1-CB 4.42Å; L108-I134 HydrophobicContact CD1-CD1 4.26Å; L108-I134 HydrophobicContact CD1-CG1 3.34Å; I134-D136 PolarHBondContact O-N 3.39Å |
| 135 | L | 95.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | trans | -80.3 | 90.4 | 167.1 | -175.4 | 64.5 | 0 | 0 | 0 | 108.6 | F107 S137 | F107-L135 HydrophobicContact CB-CB 4.13Å; F107-L135 HydrophobicContact CD2-CD2 4.37Å; F107-L135 PolarHBondContact O-N 2.88Å; L135-S137 WeakPolarHBondContact CD1-OG 3.29Å | ||
| 136 | D | 90.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 70.5 Ų | 70.5 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -84.9 | -9.2 | -176.4 | 59.8 | -7.4 | 0 | 0 | 0 | 114.1 | V11 Y106 I134 | V11-D136 HydrophobicContact CB-CB 4Å; V11-D136 HydrophobicContact CG2-CB 3.77Å; Y106-D136 HydrophobicContact CE1-CB 4.36Å; I134-D136 PolarHBondContact O-N 3.39Å | ||
| 137 | S | 90.5 | Very high | 92.4 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -79.1 | -25.6 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | L135 | L135-S137 WeakPolarHBondContact CD1-OG 3.29Š|
| 138 | D | 89 | Confident | 91.7 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -137.2 | 68.2 | -177.8 | -172.7 | 27.1 | 0 | 0 | 0 | 111.3 | R140 | D138-R140 IonicContact OD1-NH1 3.86Å; D138-R140 PolarHBondContact OD1-NH1 2.85Å; D138-R140 VanDerWaalsContact OD1-NH1 3.1Å; D138-R140 IonicContact OD2-CZ 3.36Å; D138-R140 IonicContact OD2-NH1 2.74Å; D138-R140 PolarHBondContact OD2-NH1 2.91Å; D138-R140 IonicContact OD2-NH2 3.35Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å |
| 139 | P | 91.4 | Very high | 90.6 | Very high | 45 Ų | 45 | 70.4 Ų | 70.4 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | trans | -71.9 | 144.1 | 173.6 | 31.1 | -33.8 | 0 | 0 | 0 | 110.9 | L104 G105 Y106 | L104-P139 HydrophobicContact CD1-CB 3.7Å; L104-P139 HydrophobicContact CD1-CG 4.24Å; L104-P139 HydrophobicContact CG-CB 4.32Å; G105-P139 WeakPolarHBondContact O-CA 3.37Å; Y106-P139 HydrophobicContact CD1-CB 3.81Å; Y106-P139 HydrophobicContact CE1-CB 3.56Å; Y106-P139 HydrophobicContact CE1-CG 4.12Å; Y106-P139 HydrophobicContact CG-CB 4.4Å | ||
| 140 | R | 92.9 | Very high | 88.9 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.4 | 175.7 | -65.6 | -69.5 | -172.7 | -120.2 | -5 | 109.2 | L104 G105 F107 D138 W168 | L104-R140 WeakPolarHBondContact CA-O 3.4Å; G105-R140 PolarHBondContact N-O 3.29Å; G105-R140 PolarHBondContact O-N 2.97Å; F107-R140 HydrophobicContact CE2-CG 4.24Å; D138-R140 IonicContact OD1-NH1 3.86Å; D138-R140 PolarHBondContact OD1-NH1 2.85Å; D138-R140 VanDerWaalsContact OD1-NH1 3.1Å; D138-R140 IonicContact OD2-CZ 3.36Å; D138-R140 IonicContact OD2-NH1 2.74Å; D138-R140 PolarHBondContact OD2-NH1 2.91Å; D138-R140 IonicContact OD2-NH2 3.35Å; D138-R140 PolarHBondContact OD2-NH2 2.82Å; R140-W168 HydrophobicContact CB-CE3 4.24Å; R140-W168 HydrophobicContact CB-CH2 3.21Å; R140-W168 HydrophobicContact CB-CZ2 4.17Å; R140-W168 HydrophobicContact CB-CZ3 3.25Å; R140-W168 HydrophobicContact CG-CE3 3.85Å; R140-W168 HydrophobicContact CG-CH2 3.79Å; R140-W168 HydrophobicContact CG-CZ3 3.25Å |
| 141 | L | 91.5 | Very high | 86.8 | Confident | 90 Ų | 90 | 73 Ų | 73 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.8 | -178.9 | 176.4 | 63.5 | 0 | 0 | 0 | 110.8 | L102 L104 L143 | L102-L141 HydrophobicContact CB-CD1 4.24Å; L104-L141 HydrophobicContact CD1-CB 4.06Å; L104-L141 HydrophobicContact CD1-CD1 4.12Å; L141-L143 HydrophobicContact CD1-CD2 3.82Å; L141-L143 HydrophobicContact CD1-CG 4.43Å; L141-L143 HydrophobicContact CD2-CD2 4.18Å; L141-L143 HydrophobicContact CD2-CG 4.32Å; L141-L143 HydrophobicContact CG-CD2 4.08Å; L141-L143 HydrophobicContact CG-CG 4.19Å |
| 142 | T | 91.8 | Very high | 84.5 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.6 | 170.2 | -51.2 | 0 | 0 | 0 | 0 | 108.8 | L102 K103 F144 | L102-T142 CarbonylContact C-O 3.53Å; L102-T142 WeakPolarHBondContact CA-O 3.32Å; L102-T142 WeakPolarHBondContact CB-O 3.46Å; K103-T142 PolarHBondContact N-O 2.82Å; K103-T142 PolarHBondContact O-N 2.97Å; T142-F144 HydrophobicContact CG2-CE1 4.2Å; T142-F144 HydrophobicContact CG2-CE2 3.79Å; T142-F144 HydrophobicContact CG2-CZ 3.56Å |
| 143 | L | 90.5 | Very high | 82.1 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 61% | 0.613 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.9 | 177.9 | -62.9 | 178.6 | 0 | 0 | 0 | 110.2 | L102 L141 | L102-L143 HydrophobicContact CB-CD2 3.63Å; L102-L143 HydrophobicContact CD2-CD2 4.28Å; L141-L143 HydrophobicContact CD1-CD2 3.82Å; L141-L143 HydrophobicContact CD1-CG 4.43Å; L141-L143 HydrophobicContact CD2-CD2 4.18Å; L141-L143 HydrophobicContact CD2-CG 4.32Å; L141-L143 HydrophobicContact CG-CD2 4.08Å; L141-L143 HydrophobicContact CG-CG 4.19Å |
| 144 | F | 90 | Very high | 79.8 | Confident | 82 Ų | 82 | 89 Ų | 89 | 36% | 0.36 | 47% | 0.474 | S | S | . | . | trans | -115.1 | 126.1 | 177.3 | -59.8 | -87.2 | 0 | 0 | 0 | 109.4 | C100 F101 K103 T142 I146 | C100-F144 WeakPolarHBondContact O-CB 3.16Å; F101-F144 PolarHBondContact O-N 2.65Å; K103-F144 HydrophobicContact CB-CE2 4.31Å; K103-F144 HydrophobicContact CD-CE2 4.17Å; K103-F144 HydrophobicContact CD-CZ 4.41Å; K103-F144 HydrophobicContact CG-CE2 3.81Å; T142-F144 HydrophobicContact CG2-CE1 4.2Å; T142-F144 HydrophobicContact CG2-CE2 3.79Å; T142-F144 HydrophobicContact CG2-CZ 3.56Å; F144-I146 PolarHBondContact O-N 2.75Å | ||
| 145 | P | 86.5 | Confident | 77.4 | Confident | 120 Ų | 120 | 96.4 Ų | 96.4 | 78% | 0.779 | 51% | 0.513 | S | S | * | . | trans | -68.5 | 126.1 | 175.4 | 28.5 | -32.6 | 0 | 0 | 0 | 109.6 | ||||
| 146 | I | 84.7 | Confident | 75.3 | Confident | 27 Ų | 27 | 98.6 Ų | 98.6 | 14% | 0.138 | 52% | 0.524 | C | S | . | . | trans | -130 | 161.1 | 176.5 | 65.5 | 155.1 | 0 | 0 | 0 | 111.1 | Y96 N99 C100 F101 F144 W148 | Y96-I146 HydrophobicContact CD1-CD1 4.05Å; Y96-I146 HydrophobicContact CG-CD1 4.42Å; N99-I146 HydrophobicContact CB-CB 4.26Å; N99-I146 HydrophobicContact CB-CD1 4.27Å; N99-I146 HydrophobicContact CB-CG2 3.87Å; C100-I146 WeakPolarHBondContact O-CG2 3Å; F101-I146 HydrophobicContact CB-CD1 3.65Å; F101-I146 HydrophobicContact CB-CG1 3.76Å; F101-I146 HydrophobicContact CB-CG2 4.14Å; F101-I146 HydrophobicContact CG-CD1 4.43Å; F144-I146 PolarHBondContact O-N 2.75Å; I146-W148 HydrophobicContact CD1-CD2 4.11Å; I146-W148 HydrophobicContact CD1-CE3 4.17Å; I146-W148 HydrophobicContact CD1-CH2 3.9Å; I146-W148 HydrophobicContact CD1-CZ2 3.85Å; I146-W148 HydrophobicContact CD1-CZ3 4.07Å; I146-W148 HydrophobicContact CG1-CD2 4.17Å; I146-W148 HydrophobicContact CG1-CH2 4.33Å; I146-W148 HydrophobicContact CG1-CZ2 3.76Å | ||
| 147 | N | 83.5 | Confident | 73.2 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 43% | 0.428 | 54% | 0.536 | S | S | . | . | trans | -83.1 | 114.5 | 172.9 | -165.4 | -16.6 | 0 | 0 | 0 | 110.3 | D149 N150 | N147-D149 PolarHBondContact OD1-N 3.19Å; N147-N150 VanDerWaalsContact CG-CB 3.48Å; N147-N150 WeakPolarHBondContact ND2-CB 3.49Å; N147-N150 WeakPolarHBondContact OD1-CB 3.19Å; N147-N150 PolarHBondContact OD1-N 2.8Å; N147-N150 VanDerWaalsContact OD1-N 3.16Å | ||
| 148 | W | 81 | Confident | 70.9 | Confident | 42 Ų | 42 | 100.1 Ų | 100.1 | 16% | 0.159 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -87 | -33.7 | -179.3 | -61.8 | 91.6 | 0 | 0 | 0 | 112.7 | V3 V4 L31 Y96 F101 I146 | V3-W148 HydrophobicContact CB-CD2 4.1Å; V3-W148 HydrophobicContact CB-CE3 3.97Å; V3-W148 HydrophobicContact CB-CZ3 4.3Å; V3-W148 HydrophobicContact CG2-CB 4.09Å; V3-W148 HydrophobicContact CG2-CD2 3.85Å; V3-W148 HydrophobicContact CG2-CE3 4.03Å; V3-W148 HydrophobicContact CG2-CG 3.88Å; V4-W148 HydrophobicContact CG2-CH2 3.46Å; V4-W148 VanDerWaalsContact CG2-CH2 3.46Å; V4-W148 HydrophobicContact CG2-CZ2 4.09Å; V4-W148 HydrophobicContact CG2-CZ3 4.13Å; L31-W148 HydrophobicContact CD1-CE3 3.7Å; L31-W148 HydrophobicContact CD1-CZ3 3.95Å; Y96-W148 HydrophobicContact CD1-CD2 4.45Å; Y96-W148 AromaticContact CD1-CE3 3.55Å; Y96-W148 HydrophobicContact CD1-CE3 3.55Å; Y96-W148 AromaticContact CD1-CZ3 3.84Å; Y96-W148 HydrophobicContact CD1-CZ3 3.84Å; Y96-W148 HydrophobicContact CD2-CZ3 4.33Å; Y96-W148 AromaticContact CE1-CE3 3.93Å; Y96-W148 HydrophobicContact CE1-CE3 3.93Å; Y96-W148 AromaticContact CG-CE3 3.91Å; Y96-W148 HydrophobicContact CG-CE3 3.91Å; Y96-W148 AromaticContact CG-CZ3 3.7Å; Y96-W148 HydrophobicContact CG-CZ3 3.7Å; F101-W148 HydrophobicContact CB-CH2 4.03Å; F101-W148 HydrophobicContact CB-CZ2 4.02Å; F101-W148 HydrophobicContact CD1-CH2 4.04Å; F101-W148 AromaticContact CD2-CH2 3.88Å; F101-W148 HydrophobicContact CD2-CH2 3.88Å; F101-W148 HydrophobicContact CD2-CZ2 4.24Å; F101-W148 HydrophobicContact CE2-CH2 4.39Å; F101-W148 AromaticContact CG-CH2 3.71Å; F101-W148 HydrophobicContact CG-CH2 3.71Å; F101-W148 HydrophobicContact CG-CZ2 4.14Å; I146-W148 HydrophobicContact CD1-CD2 4.11Å; I146-W148 HydrophobicContact CD1-CE3 4.17Å; I146-W148 HydrophobicContact CD1-CH2 3.9Å; I146-W148 HydrophobicContact CD1-CZ2 3.85Å; I146-W148 HydrophobicContact CD1-CZ3 4.07Å; I146-W148 HydrophobicContact CG1-CD2 4.17Å; I146-W148 HydrophobicContact CG1-CH2 4.33Å; I146-W148 HydrophobicContact CG1-CZ2 3.76Å |
| 149 | D | 74.6 | Confident | 68.8 | Low | 146 Ų | 146 | 103.1 Ų | 103.1 | 78% | 0.781 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -91 | -28.6 | -168.1 | -64.3 | -41.6 | 0 | 0 | 0 | 112.5 | N147 A151 | N147-D149 PolarHBondContact OD1-N 3.19Å; D149-A151 PolarHBondContact O-N 2.89Å |
| 150 | N | 58.8 | Low | 66.5 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 40% | 0.396 | 58% | 0.579 | S | S | . | * | trans | -88.8 | 107.9 | -171.7 | -141.5 | 24.9 | 0 | 0 | 0 | 110.8 | N147 E152 E153 | N147-N150 VanDerWaalsContact CG-CB 3.48Å; N147-N150 WeakPolarHBondContact ND2-CB 3.49Å; N147-N150 WeakPolarHBondContact OD1-CB 3.19Å; N147-N150 PolarHBondContact OD1-N 2.8Å; N147-N150 VanDerWaalsContact OD1-N 3.16Å; N150-E152 VanDerWaalsContact C-N 3.3Å; N150-E153 WeakPolarHBondContact ND2-CB 3.36Å; N150-E153 PolarHBondContact ND2-O 2.76Å | ||
| 151 | A | 54.1 | Low | 64.2 | Low | 77 Ų | 77 | 109 Ų | 109 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -77 | -17 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D149 | D149-A151 PolarHBondContact O-N 2.89Š|
| 152 | E | 47.5 | Very low | 61.8 | Low | 184 Ų | 184 | 110 Ų | 110 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -125.8 | -11.5 | -163.9 | -85.5 | -176 | 156.9 | 0 | 0 | 117.5 | N150 | N150-E152 VanDerWaalsContact C-N 3.3Š|
| 153 | E | 46.7 | Very low | 59.5 | Low | 139 Ų | 139 | 114 Ų | 114 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -137 | 130.3 | -173 | -97.4 | 177.2 | 173.7 | 0 | 0 | 115.2 | N150 | N150-E153 WeakPolarHBondContact ND2-CB 3.36Å; N150-E153 PolarHBondContact ND2-O 2.76Å |
| 154 | E | 48.1 | Very low | 57.2 | Low | 166 Ų | 166 | 115.4 Ų | 115.4 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | 75.8 | 91.1 | 164.6 | -57.7 | -172.5 | 162.3 | 0 | 0 | 114.7 | L156 | E154-L156 PolarHBondContact O-N 3.25Š| ||
| 155 | L | 48.1 | Very low | 54.9 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 63% | 0.625 | S | S | * | * | trans | -38 | 98.3 | 134.8 | -65.3 | 165.9 | 0 | 0 | 0 | 106.2 | P157 | L155-P157 VanDerWaalsContact O-N 3.14Š| ||
| 156 | L | 50.8 | Low | 53.1 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | trans | -48.7 | 130.1 | 154.1 | -72.3 | 172.5 | 0 | 0 | 0 | 103.4 | E154 P158 | E154-L156 PolarHBondContact O-N 3.25Å; L156-P158 VanDerWaalsContact O-N 3.16Å | ||
| 157 | P | 44.6 | Very low | 51.1 | Low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 64% | 0.638 | S | S | * | * | trans | -47.5 | 137.7 | 172.1 | 23.2 | -31.9 | 0 | 0 | 0 | 104.9 | L155 V159 | L155-P157 VanDerWaalsContact O-N 3.14Å; P157-V159 PolarHBondContact O-N 3.04Å | ||
| 158 | P | 42.3 | Very low | 49.4 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | trans | -45.2 | 119 | 170.1 | 21.4 | -30.7 | 0 | 0 | 0 | 103.5 | L156 Q160 | L156-P158 VanDerWaalsContact O-N 3.16Å; P158-Q160 PolarHBondContact O-N 3.05Å | ||
| 159 | V | 44.6 | Very low | 47.6 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | trans | -44.2 | 115.3 | 149.7 | 166.8 | 0 | 0 | 0 | 0 | 99.9 | P157 S161 | P157-V159 PolarHBondContact O-N 3.04Å; V159-S161 PolarHBondContact O-N 2.78Å | ||
| 160 | Q | 43.3 | Very low | 46.4 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | trans | -54.9 | 96.2 | 177.7 | -74.1 | 179.2 | -84.5 | 0 | 0 | 101.6 | P158 D162 | P158-Q160 PolarHBondContact O-N 3.05Å; Q160-D162 PolarHBondContact O-N 3.04Å | ||
| 161 | S | 45.1 | Very low | 45.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | -67.2 | 82 | 150.2 | 61.5 | 0 | 0 | 0 | 0 | 98.5 | V159 E163 | V159-S161 PolarHBondContact O-N 2.78Å; S161-E163 PolarHBondContact O-N 2.8Å; S161-E163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | D | 41.3 | Very low | 44.9 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | -28.5 | 115.8 | 121.4 | -67.9 | -16.5 | 0 | 0 | 0 | 103.5 | Q160 E164 | Q160-D162 PolarHBondContact O-N 3.04Å; D162-E164 HydrophobicContact CB-CG 4.28Å; D162-E164 WeakPolarHBondContact O-CA 3.24Å; D162-E164 PolarHBondContact O-N 2.79Å | |||
| 163 | E | 44 | Very low | 44.5 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | trans | -50.3 | 78.1 | 165.5 | -171.6 | 169.2 | -170 | 0 | 0 | 104.5 | V46 S161 V165 | V46-E163 WeakPolarHBondContact CG2-OE1 3.08Å; S161-E163 PolarHBondContact O-N 2.8Å; S161-E163 VanDerWaalsContact O-N 3.08Å; E163-V165 PolarHBondContact O-N 3.35Å | ||
| 164 | E | 41.2 | Very low | 44.1 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | trans | -72.5 | 87.4 | 178.4 | -83.2 | -174.2 | 167.3 | 0 | 0 | 97.3 | D162 L166 | D162-E164 HydrophobicContact CB-CG 4.28Å; D162-E164 WeakPolarHBondContact O-CA 3.24Å; D162-E164 PolarHBondContact O-N 2.79Å; E164-L166 PolarHBondContact O-N 3.34Å | ||
| 165 | V | 42.1 | Very low | 43.4 | Very low | 79 Ų | 79 | 116 Ų | 116 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | trans | -38.4 | 102.3 | 146.5 | -177.6 | 0 | 0 | 0 | 0 | 102.1 | E163 E167 | E163-V165 PolarHBondContact O-N 3.35Å; V165-E167 HydrophobicContact CG1-CG 4.34Å; V165-E167 PolarHBondContact O-N 2.93Å | ||
| 166 | L | 47.8 | Very low | 43.1 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 45% | 0.45 | 67% | 0.669 | S | S | . | * | trans | -69.4 | 84.9 | -176.3 | -98.3 | 177 | 0 | 0 | 0 | 102.4 | E164 W168 | E164-L166 PolarHBondContact O-N 3.34Å; L166-W168 VanDerWaalsContact C-CD1 3.44Å; L166-W168 VanDerWaalsContact CB-CD1 3.46Å; L166-W168 VanDerWaalsContact CB-NE1 3.25Å; L166-W168 HydrophobicContact CD1-CZ2 4.16Å; L166-W168 VanDerWaalsContact O-CD1 3.22Å; L166-W168 PolarHBondContact O-N 2.89Å | ||
| 167 | E | 43.3 | Very low | 42.7 | Very low | 160 Ų | 160 | 117.6 Ų | 117.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -68.5 | 83.8 | 172.4 | -77.3 | -173.7 | 178.7 | 0 | 0 | 105.6 | V165 N169 | V165-E167 HydrophobicContact CG1-CG 4.34Å; V165-E167 PolarHBondContact O-N 2.93Å; E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.19Å; E167-N169 VanDerWaalsContact O-N 3.08Å | ||
| 168 | W | 49.1 | Very low | 42.7 | Very low | 62 Ų | 62 | 121.8 Ų | 121.8 | 24% | 0.235 | 69% | 0.685 | C | S | . | * | trans | -81.7 | 92.5 | 175.3 | -74 | 29.7 | 0 | 0 | 0 | 104.4 | I89 F107 R140 L166 M170 | I89-W168 HydrophobicContact CD1-CD2 4.05Å; I89-W168 HydrophobicContact CD1-CE3 3.81Å; I89-W168 HydrophobicContact CD1-CG 4.42Å; I89-W168 HydrophobicContact CD1-CZ3 4.23Å; F107-W168 HydrophobicContact CE1-CE3 4.08Å; F107-W168 HydrophobicContact CE2-CE3 4.39Å; F107-W168 AromaticContact CZ-CE3 3.71Å; F107-W168 HydrophobicContact CZ-CE3 3.71Å; F107-W168 HydrophobicContact CZ-CZ3 4.28Å; R140-W168 HydrophobicContact CB-CE3 4.24Å; R140-W168 HydrophobicContact CB-CH2 3.21Å; R140-W168 HydrophobicContact CB-CZ2 4.17Å; R140-W168 HydrophobicContact CB-CZ3 3.25Å; R140-W168 HydrophobicContact CG-CE3 3.85Å; R140-W168 HydrophobicContact CG-CH2 3.79Å; R140-W168 HydrophobicContact CG-CZ3 3.25Å; L166-W168 VanDerWaalsContact C-CD1 3.44Å; L166-W168 VanDerWaalsContact CB-CD1 3.46Å; L166-W168 VanDerWaalsContact CB-NE1 3.25Å; L166-W168 HydrophobicContact CD1-CZ2 4.16Å; L166-W168 VanDerWaalsContact O-CD1 3.22Å; L166-W168 PolarHBondContact O-N 2.89Å; W168-M170 PolarHBondContact O-N 2.97Å | ||
| 169 | N | 42 | Very low | 42.8 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -52.1 | 111 | 171.3 | -71.4 | -12.6 | 0 | 0 | 0 | 107.4 | E167 D171 | E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.19Å; E167-N169 VanDerWaalsContact O-N 3.08Å; N169-D171 WeakPolarHBondContact CB-OD1 3.33Å; N169-D171 PolarHBondContact O-N 3.38Å | ||
| 170 | M | 49.8 | Very low | 43 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -77.9 | 56.4 | 174.5 | -166.8 | -179.4 | 80.2 | 0 | 0 | 108.1 | W168 | W168-M170 PolarHBondContact O-N 2.97Š|
| 171 | D | 43.1 | Very low | 43 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | -126.2 | 46.1 | 178.1 | 73.2 | -21.1 | 0 | 0 | 0 | 110.6 | N169 | N169-D171 WeakPolarHBondContact CB-OD1 3.33Å; N169-D171 PolarHBondContact O-N 3.38Å | ||
| 172 | G | 37.3 | Very low | 43.2 | Very low | 53 Ų | 53 | 131.9 Ų | 131.9 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | trans | -119.3 | 20.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 173 | T | 40.8 | Very low | 43.3 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | -148.4 | 120.1 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 174 | G | 37.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | 112.1 | 92.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 175 | G | 33.5 | Very low | 43.6 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | cis | 73.3 | 113.4 | 38.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 176 | E | 42.9 | Very low | 43.6 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | 95.2 | 93.3 | 163.4 | -56.8 | 171.1 | -175.3 | 0 | 0 | 115.3 | ||||
| 177 | D | 41.1 | Very low | 43.9 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 71 | 125.4 | 126 | -54.1 | -32.5 | 0 | 0 | 0 | 119.5 | D179 | D177-D179 PolarHBondContact O-N 3.23Š| |||
| 178 | E | 45.2 | Very low | 44 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 77.3 | 171.4 | -60 | 168.2 | 165 | 0 | 0 | 109.4 | E180 | E178-E180 PolarHBondContact O-N 3.03Å; E178-E180 VanDerWaalsContact O-N 3.15Å | ||
| 179 | D | 44.2 | Very low | 44.2 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 95.1 | 166.2 | -76.3 | -26.5 | 0 | 0 | 0 | 107.9 | D177 E181 | D177-D179 PolarHBondContact O-N 3.23Å; D179-E181 PolarHBondContact O-N 2.82Å | ||
| 180 | E | 47.9 | Very low | 44.6 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -46.1 | 126.9 | 173.9 | -65.4 | 177.7 | 156.3 | 0 | 0 | 111 | E178 E182 | E178-E180 PolarHBondContact O-N 3.03Å; E178-E180 VanDerWaalsContact O-N 3.15Å; E180-E182 PolarHBondContact O-N 3.28Å | ||
| 181 | E | 44.7 | Very low | 44.4 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -61 | 97.7 | 173.1 | -62.5 | 177.5 | 176.2 | 0 | 0 | 109.3 | D179 E183 | D179-E181 PolarHBondContact O-N 2.82Å; E181-E183 PolarHBondContact O-N 2.91Å | ||
| 182 | E | 49.1 | Very low | 44.9 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 115.5 | 165 | -72.5 | -160.3 | 171.1 | 0 | 0 | 108.9 | E180 | E180-E182 PolarHBondContact O-N 3.28Š| ||
| 183 | E | 43.1 | Very low | 45.4 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -57.1 | 130.5 | -177.7 | -62.6 | -178.7 | 158.4 | 0 | 0 | 112.1 | E181 E185 | E181-E183 PolarHBondContact O-N 2.91Å; E183-E185 PolarHBondContact O-N 2.78Å | ||
| 184 | E | 45.6 | Very low | 45.7 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -70.9 | 114.7 | 174.2 | -61.5 | -151.5 | 167.9 | 0 | 0 | 111 | D186 | E184-D186 PolarHBondContact O-N 2.95Š| ||
| 185 | E | 45.5 | Very low | 46.1 | Very low | 180 Ų | 180 | 155.8 Ų | 155.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 102.2 | 162.4 | -79.5 | -165.5 | 157.9 | 0 | 0 | 109.5 | E183 V187 | E183-E185 PolarHBondContact O-N 2.78Å; E185-V187 PolarHBondContact O-N 3.2Å | ||
| 186 | D | 42.8 | Very low | 46.6 | Very low | 146 Ų | 146 | 160.9 Ų | 160.9 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -56.5 | 93.7 | 165.4 | -106 | -28.1 | 0 | 0 | 0 | 110 | E184 L188 | E184-D186 PolarHBondContact O-N 2.95Å; D186-L188 PolarHBondContact O-N 3.4Å | ||
| 187 | V | 52.9 | Low | 47 | Very low | 106 Ų | 106 | 161.1 Ų | 161.1 | 64% | 0.642 | 81% | 0.814 | S | S | * | * | trans | -95.3 | 92.6 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | E185 E189 | E185-V187 PolarHBondContact O-N 3.2Å; V187-E189 HydrophobicContact CG1-CG 3.97Å; V187-E189 PolarHBondContact O-N 3.36Å | ||
| 188 | L | 46 | Very low | 47.1 | Very low | 151 Ų | 151 | 162.4 Ų | 162.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -67.2 | 100.7 | 166 | -63.6 | 171 | 0 | 0 | 0 | 108.5 | D186 | D186-L188 PolarHBondContact O-N 3.4Š| ||
| 189 | E | 54.7 | Low | 46.9 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -102.8 | 120.6 | 163.3 | -72.5 | -74.5 | 166.4 | 0 | 0 | 108.3 | V187 | V187-E189 HydrophobicContact CG1-CG 3.97Å; V187-E189 PolarHBondContact O-N 3.36Å | ||
| 190 | E | 49.8 | Very low | 47.2 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -70.7 | 141 | -173.7 | -61.4 | 179.8 | 155.8 | 0 | 0 | 112 | ||||
| 191 | D | 44.5 | Very low | 47.4 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -0.6 | 115.9 | 153.6 | -51.6 | -37.2 | 0 | 0 | 0 | 117.7 | ||||
| 192 | D | 53.7 | Low | 47.7 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -125.6 | 76.8 | 153.6 | -167 | 38.6 | 0 | 0 | 0 | 108.7 | G194 | D192-G194 PolarHBondContact O-N 2.8Š| ||
| 193 | D | 47.7 | Very low | 48 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -71 | 75.5 | 162.2 | -84.4 | -42.2 | 0 | 0 | 0 | 108.4 | D195 | D193-D195 PolarHBondContact O-N 3.12Š| ||
| 194 | G | 48.1 | Very low | 48.2 | Very low | 58 Ų | 58 | 151.5 Ų | 151.5 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | trans | -88.7 | 92.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D192 | D192-G194 PolarHBondContact O-N 2.8Š| ||
| 195 | D | 46.1 | Very low | 48.4 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 36.7 | 124.6 | 147.8 | -73.3 | -40.3 | 0 | 0 | 0 | 121.4 | D193 E197 | D193-D195 PolarHBondContact O-N 3.12Å; D195-E197 PolarHBondContact O-N 3.47Å | ||
| 196 | E | 44 | Very low | 48.7 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -48.1 | 123.4 | 157.6 | -56 | 174.9 | 167.3 | 0 | 0 | 112.1 | ||||
| 197 | E | 50.8 | Low | 48.9 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -125.1 | 113.2 | 155 | -79.6 | -75.2 | 172.5 | 0 | 0 | 108.5 | D195 | D195-E197 PolarHBondContact O-N 3.47Š| ||
| 198 | E | 43.6 | Very low | 48.7 | Very low | 166 Ų | 166 | 152 Ų | 152 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -62 | 143.5 | 178.7 | -72.7 | -165.7 | 151 | 0 | 0 | 111.9 | ||||
| 199 | N | 39.8 | Very low | 48.8 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | 55.5 | 111.3 | 126.1 | -158.4 | 32.2 | 0 | 0 | 0 | 116.8 | |||||
| 200 | D | 49.9 | Very low | 48.5 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -168.4 | 122.1 | 133.6 | -102.1 | -19.6 | 0 | 0 | 0 | 115.8 | ||||
| 201 | V | 53 | Low | 48.4 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 58% | 0.576 | 81% | 0.812 | S | S | * | * | trans | 77.5 | 98.5 | 141.8 | -162.9 | 0 | 0 | 0 | 0 | 119.1 | L203 | V201-L203 HydrophobicContact CG1-CD2 3.73Å; V201-L203 HydrophobicContact CG1-CG 3.61Å; V201-L203 PolarHBondContact O-N 3.16Å | ||
| 202 | D | 51.3 | Low | 48.7 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -58 | 97 | 144.6 | -88 | -42.9 | 0 | 0 | 0 | 109.3 | D204 | D202-D204 PolarHBondContact O-N 3.3Š| ||
| 203 | L | 55.4 | Low | 48.3 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 104.2 | 164.2 | -77.5 | 175.8 | 0 | 0 | 0 | 108.1 | V201 A205 | V201-L203 HydrophobicContact CG1-CD2 3.73Å; V201-L203 HydrophobicContact CG1-CG 3.61Å; V201-L203 PolarHBondContact O-N 3.16Å; L203-A205 PolarHBondContact O-N 3.35Å | ||
| 204 | D | 47.9 | Very low | 48.4 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -37.6 | 104.7 | 162.4 | -72.6 | -45.8 | 0 | 0 | 0 | 110.9 | D202 I206 | D202-D204 PolarHBondContact O-N 3.3Å; D204-I206 PolarHBondContact O-N 3.17Å | ||
| 205 | A | 49.5 | Very low | 48.4 | Very low | 88 Ų | 88 | 155.2 Ų | 155.2 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -83.7 | 99.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L203 | L203-A205 PolarHBondContact O-N 3.35Š| ||
| 206 | I | 51.3 | Low | 48.6 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | 79.5 | 106.9 | 134.7 | -59 | 163 | 0 | 0 | 0 | 116.3 | D204 | D204-I206 PolarHBondContact O-N 3.17Š| ||
| 207 | D | 46.6 | Very low | 49 | Very low | 230 Ų | 230 | 153 Ų | 153 | 100% | 1.23 | 82% | 0.821 | S | S | * | * | trans | -26.2 | 0 | 155.5 | -168.5 | 29.6 | 0 | 0 | 0 | 116.1 |
Retrieved 207 of 207 residues in 126.3 ms
(Link to these results)