| 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 | 41.3 | Very low | 49.2 | Very low | 248 Ų | 248 | 149.3 Ų | 149.3 | 100% | 1.222 | 81% | 0.81 | S | S | * | * | 0 | 96.9 | 0 | -65.7 | 168.4 | 78.4 | 0 | 0 | 106.6 | |||||
| 2 | S | 42.4 | Very low | 49.7 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -93 | 112.3 | -170.9 | -147.9 | 0 | 0 | 0 | 0 | 108.9 | V4 | S2-V4 PolarHBondContact O-N 2.79Š| ||
| 3 | A | 46.3 | Very low | 49.9 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 104.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108 | Y5 | A3-Y5 PolarHBondContact O-N 3.02Š| ||
| 4 | V | 53.4 | Low | 49.7 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -76.4 | 113.9 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | S2 L6 | S2-V4 PolarHBondContact O-N 2.79Å; V4-L6 PolarHBondContact O-N 2.94Å | ||
| 5 | Y | 50.2 | Low | 50.1 | Low | 210 Ų | 210 | 140.1 Ų | 140.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -68.5 | 111.1 | 170.7 | -76.4 | -91.2 | 0 | 0 | 0 | 109.2 | A3 V7 | A3-Y5 PolarHBondContact O-N 3.02Å; Y5-V7 PolarHBondContact O-N 3.33Å; Y5-V7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | L | 48.9 | Very low | 50.4 | Low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -78.3 | 88.8 | 171 | -154.9 | 93.2 | 0 | 0 | 0 | 108.6 | V4 L8 | V4-L6 PolarHBondContact O-N 2.94Å; L6-L8 HydrophobicContact CD2-CD1 3.91Å; L6-L8 HydrophobicContact CD2-CG 4.38Å; L6-L8 PolarHBondContact O-N 2.76Å; L6-L8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | V | 51.4 | Low | 50.7 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | trans | -75 | 96.6 | 167.9 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | Y5 L9 | Y5-V7 PolarHBondContact O-N 3.33Å; Y5-V7 VanDerWaalsContact O-N 3.11Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.85Å | ||
| 8 | L | 50.5 | Low | 51.1 | Low | 139 Ų | 139 | 122.4 Ų | 122.4 | 73% | 0.728 | 68% | 0.684 | S | S | * | * | trans | -66.4 | 95 | 165.2 | -98.2 | 134.5 | 0 | 0 | 0 | 108.4 | L6 L10 | L6-L8 HydrophobicContact CD2-CD1 3.91Å; L6-L8 HydrophobicContact CD2-CG 4.38Å; L6-L8 PolarHBondContact O-N 2.76Å; L6-L8 VanDerWaalsContact O-N 3.12Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.2Å | ||
| 9 | L | 50.2 | Low | 51.8 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -62.6 | 94.6 | 164.6 | -98.2 | 145.6 | 0 | 0 | 0 | 108.6 | V7 L11 | V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.85Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 2.81Å | ||
| 10 | L | 52.2 | Low | 53 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | trans | -64.4 | 92.8 | 161.1 | -84.6 | 156.8 | 0 | 0 | 0 | 107.7 | L8 P12 | L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.2Å; L10-P12 VanDerWaalsContact O-CD 3.25Å; L10-P12 WeakPolarHBondContact O-CD 3.14Å | ||
| 11 | L | 54.3 | Low | 54.2 | Low | 147 Ų | 147 | 121.6 Ų | 121.6 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -66.1 | 114.7 | 165.2 | -77.5 | 163.8 | 0 | 0 | 0 | 107.7 | L9 L13 | L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 2.81Å; L11-L13 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | P | 54.8 | Low | 56.1 | Low | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | trans | -76.8 | 112.1 | 172.6 | 34.8 | -31.8 | 0 | 0 | 0 | 106.6 | L10 V14 | L10-P12 VanDerWaalsContact O-CD 3.25Å; L10-P12 WeakPolarHBondContact O-CD 3.14Å; P12-V14 HydrophobicContact CB-CG2 3.92Å; P12-V14 HydrophobicContact CG-CG2 4.47Å; P12-V14 PolarHBondContact O-N 3.05Å | ||
| 13 | L | 52.8 | Low | 58.2 | Low | 172 Ų | 172 | 109.5 Ų | 109.5 | 90% | 0.901 | 60% | 0.595 | S | S | * | * | trans | -65.2 | 70.5 | 166.3 | -94.9 | 134.5 | 0 | 0 | 0 | 109.3 | L11 S15 | L11-L13 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact O-N 3.16Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 2.81Å | ||
| 14 | V | 47.6 | Very low | 60.3 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -91.5 | 74.3 | 171.5 | -171 | 0 | 0 | 0 | 0 | 107.9 | P12 A16 | P12-V14 HydrophobicContact CB-CG2 3.92Å; P12-V14 HydrophobicContact CG-CG2 4.47Å; P12-V14 PolarHBondContact O-N 3.05Å; V14-A16 HydrophobicContact CG1-CB 4.17Å; V14-A16 PolarHBondContact O-N 3.48Å | ||
| 15 | S | 55.2 | Low | 62 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 31.8 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | L13 | L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 2.81Å |
| 16 | A | 54.3 | Low | 64 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -13.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V14 | V14-A16 HydrophobicContact CG1-CB 4.17Å; V14-A16 PolarHBondContact O-N 3.48Å |
| 17 | Q | 56.3 | Low | 66.2 | Low | 60 Ų | 60 | 90.2 Ų | 90.2 | 28% | 0.28 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -142.1 | 140.9 | -179.2 | -67.4 | 179.1 | -46.7 | 0 | 0 | 110.9 | F19 Y140 | Q17-F19 HydrophobicContact CB-CD2 4.33Å; Q17-F19 HydrophobicContact CB-CE2 3.88Å; Q17-F19 HydrophobicContact CB-CZ 4.36Å; Q17-F19 PolarHBondContact O-N 2.74Å; Q17-Y140 PolarHBondContact NE2-OH 3.29Å |
| 18 | T | 58.5 | Low | 68.3 | Low | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.018 | 50% | 0.495 | C | S | . | . | trans | -80.3 | 94.3 | 172.4 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | E139 R171 | T18-E139 PolarHBondContact OG1-O 3.12Å; T18-R171 HydrophobicContact CG2-CB 4.34Å; T18-R171 VanDerWaalsContact CG2-NH1 3.29Å | ||
| 19 | F | 63.7 | Low | 70.6 | Confident | 113 Ų | 113 | 82.7 Ų | 82.7 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.4 | 169.7 | -71.4 | -83.6 | 0 | 0 | 0 | 108.8 | Q17 V138 | Q17-F19 HydrophobicContact CB-CD2 4.33Å; Q17-F19 HydrophobicContact CB-CE2 3.88Å; Q17-F19 HydrophobicContact CB-CZ 4.36Å; Q17-F19 PolarHBondContact O-N 2.74Å; F19-V138 HydrophobicContact CD1-CG2 4.5Å; F19-V138 HydrophobicContact CE1-CG2 4.16Å |
| 20 | H | 75.4 | Confident | 72.9 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 17% | 0.167 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.8 | 171.6 | -67.5 | -94.4 | 0 | 0 | 0 | 109.4 | F136 R137 E139 D168 | H20-F136 WeakPolarHBondContact O-CA 3.42Å; H20-R137 HydrophobicContact CB-CG 3.75Å; H20-R137 PolarHBondContact N-O 3.18Å; H20-R137 PolarHBondContact O-N 3.14Å; H20-E139 IonicContact CD2-OE1 3.93Å; H20-E139 PolarHBondContact CD2-OE1 3.36Å; H20-E139 IonicContact CE1-OE1 4Å; H20-E139 IonicContact CG-OE1 2.8Å; H20-E139 IonicContact ND1-OE1 3.86Å; H20-E139 IonicContact NE2-OE1 3.68Å; H20-D168 IonicContact CE1-OD2 3.7Å |
| 21 | W | 78.3 | Confident | 74.9 | Confident | 201 Ų | 201 | 74.3 Ų | 74.3 | 76% | 0.761 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.2 | 174.8 | -72.8 | 90.8 | 0 | 0 | 0 | 110.4 | F136 | W21-F136 HydrophobicContact CD2-CD1 4.26Å; W21-F136 AromaticContact CD2-CE1 3.84Å; W21-F136 HydrophobicContact CD2-CE1 3.84Å; W21-F136 AromaticContact CE2-CE1 3.81Å; W21-F136 HydrophobicContact CE3-CD1 4.22Å; W21-F136 AromaticContact CE3-CE1 3.67Å; W21-F136 HydrophobicContact CE3-CE1 3.67Å; W21-F136 HydrophobicContact CE3-CZ 4.31Å; W21-F136 AromaticContact CH2-CE1 3.53Å; W21-F136 HydrophobicContact CH2-CE1 3.53Å; W21-F136 AromaticContact CH2-CZ 3.73Å; W21-F136 HydrophobicContact CH2-CZ 3.73Å; W21-F136 AromaticContact CZ2-CE1 3.68Å; W21-F136 HydrophobicContact CZ2-CE1 3.68Å; W21-F136 HydrophobicContact CZ2-CZ 4.27Å; W21-F136 HydrophobicContact CZ3-CD1 4.46Å; W21-F136 AromaticContact CZ3-CE1 3.52Å; W21-F136 HydrophobicContact CZ3-CE1 3.52Å; W21-F136 AromaticContact CZ3-CZ 3.74Å; W21-F136 HydrophobicContact CZ3-CZ 3.74Å |
| 22 | G | 82.1 | Confident | 76.9 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 26% | 0.258 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 86.5 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L135 | G22-L135 PolarHBondContact N-O 3.26Š|
| 23 | P | 85.5 | Confident | 78.9 | Confident | 86 Ų | 86 | 68.7 Ų | 68.7 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 162.7 | -173.7 | 30.7 | -35.8 | 0 | 0 | 0 | 112.5 | D131 R137 | P23-D131 VanDerWaalsContact CA-OD1 3.27Å; P23-D131 WeakPolarHBondContact CA-OD1 3.32Å; P23-R137 WeakPolarHBondContact O-CD 3.39Å; P23-R137 PolarHBondContact O-NH1 2.99Å |
| 24 | C | 90.3 | Very high | 81.1 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 137 | 167.6 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | C129 T130 D131 | C24-C129 WeakPolarHBondContact CA-SG 3.1Å; C24-C129 HydrophobicContact CB-CB 3.75Å; C24-C129 WeakPolarHBondContact CB-SG 3.38Å; C24-C129 WeakPolarHBondContact SG-CB 3.28Å; C24-C129 CovalentContact SG-SG 2.03Å; C24-C129 PolarHBondContact SG-SG 3.32Å; C24-T130 PolarHBondContact SG-N 3.42Å; C24-D131 PolarHBondContact N-OD1 2.95Å; C24-D131 PolarHBondContact SG-OD1 3.44Å |
| 25 | P | 90.7 | Very high | 83.4 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 158.6 | 169.7 | 32 | -29.2 | 0 | 0 | 0 | 108.9 | P27 Y127 I167 | P25-P27 WeakPolarHBondContact O-CD 3.24Å; P25-Y127 WeakPolarHBondContact CD-OH 3.14Å; P25-Y127 HydrophobicContact CG-CE1 3.75Å; P25-Y127 WeakPolarHBondContact CG-OH 3.36Å; P25-I167 HydrophobicContact CG-CG1 4.27Å |
| 26 | S | 92.1 | Very high | 85.4 | Confident | 113 Ų | 113 | 60.3 Ų | 60.3 | 79% | 0.79 | 35% | 0.348 | S | S | * | . | trans | -112.9 | 69.9 | 177.4 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | P | 95.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | trans | -65.8 | 152.2 | -176.7 | 30.9 | -39.5 | 0 | 0 | 0 | 111.9 | P25 W114 L116 Y127 E165 | P25-P27 WeakPolarHBondContact O-CD 3.24Å; P27-W114 HydrophobicContact CG-CE3 4.13Å; P27-W114 HydrophobicContact CG-CZ3 4.36Å; P27-L116 HydrophobicContact CB-CD1 4.18Å; P27-L116 HydrophobicContact CB-CD2 3.88Å; P27-L116 HydrophobicContact CG-CD1 4.46Å; P27-L116 HydrophobicContact CG-CD2 3.64Å; P27-Y127 HydrophobicContact CG-CD1 3.82Å; P27-Y127 HydrophobicContact CG-CE1 4.3Å; P27-E165 WeakPolarHBondContact CA-OE2 3.29Å; P27-E165 HydrophobicContact CB-CB 3.83Å; P27-E165 HydrophobicContact CB-CG 4.05Å; P27-E165 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 28 | A | 95.7 | Very high | 89.5 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | trans | -64.2 | 140.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E165 | A28-E165 PolarHBondContact N-OE2 2.94Š| ||
| 29 | V | 97.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | trans | -108.5 | 159.8 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | P31 A98 K99 W114 L116 | V29-P31 WeakPolarHBondContact O-CD 3.29Å; V29-P31 VanDerWaalsContact O-N 3.12Å; V29-A98 HydrophobicContact CB-CB 3.77Å; V29-A98 HydrophobicContact CG2-CB 3.91Å; V29-K99 HydrophobicContact CG1-CG 3.99Å; V29-K99 HydrophobicContact CG2-CG 4.29Å; V29-W114 HydrophobicContact CG1-CB 4.07Å; V29-W114 HydrophobicContact CG1-CE3 4.35Å; V29-W114 HydrophobicContact CG1-CG 4.47Å; V29-L116 CarbonylContact C-O 3.36Å; V29-L116 HydrophobicContact CG1-CD2 4.28Å | ||
| 30 | Q | 97.8 | Very high | 93.1 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | trans | -53.9 | 117.4 | -177.2 | 175.7 | 60.7 | 48.5 | 0 | 0 | 110.5 | F33 A98 V115 L116 T117 T118 | Q30-F33 HydrophobicContact CB-CB 4.38Å; Q30-F33 HydrophobicContact CB-CD2 4.25Å; Q30-F33 HydrophobicContact CG-CB 4.18Å; Q30-F33 HydrophobicContact CG-CD2 3.98Å; Q30-A98 HydrophobicContact CB-CB 4.22Å; Q30-A98 WeakPolarHBondContact O-CB 3.49Å; Q30-V115 HydrophobicContact CB-CG1 4.28Å; Q30-V115 PolarHBondContact N-O 3.03Å; Q30-L116 PolarHBondContact N-O 3.25Å; Q30-L116 VanDerWaalsContact N-O 3.11Å; Q30-T117 PolarHBondContact OE1-OG1 3.16Å; Q30-T118 HydrophobicContact CG-CG2 4.18Å; Q30-T118 PolarHBondContact OE1-O 3.26Å | ||
| 31 | P | 95.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 144.8 | 176.3 | 27.2 | -34.5 | 0 | 0 | 0 | 110.2 | V29 F33 | V29-P31 WeakPolarHBondContact O-CD 3.29Å; V29-P31 VanDerWaalsContact O-N 3.12Å; P31-F33 PolarHBondContact O-N 3Å |
| 32 | S | 94.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 44.6 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | D34 | S32-D34 PolarHBondContact O-N 3.36Š|
| 33 | F | 97.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | trans | -62.1 | 125.1 | -177 | 178.8 | -106.2 | 0 | 0 | 0 | 112.2 | Q30 P31 V35 Y38 M97 A98 L100 V115 T118 Y120 | Q30-F33 HydrophobicContact CB-CB 4.38Å; Q30-F33 HydrophobicContact CB-CD2 4.25Å; Q30-F33 HydrophobicContact CG-CB 4.18Å; Q30-F33 HydrophobicContact CG-CD2 3.98Å; P31-F33 PolarHBondContact O-N 3Å; F33-V35 HydrophobicContact CD1-CG2 4.02Å; F33-V35 HydrophobicContact CE1-CB 4.44Å; F33-V35 HydrophobicContact CE1-CG2 3.74Å; F33-Y38 AromaticContact CE2-CD2 3.51Å; F33-Y38 HydrophobicContact CE2-CD2 3.51Å; F33-Y38 HydrophobicContact CE2-CE2 4.13Å; F33-Y38 AromaticContact CE2-CG 3.78Å; F33-Y38 HydrophobicContact CE2-CG 3.78Å; F33-Y38 AromaticContact CZ-CD1 3.96Å; F33-Y38 HydrophobicContact CZ-CD1 3.96Å; F33-Y38 AromaticContact CZ-CD2 3.67Å; F33-Y38 HydrophobicContact CZ-CD2 3.67Å; F33-Y38 HydrophobicContact CZ-CE2 4.32Å; F33-Y38 AromaticContact CZ-CG 3.44Å; F33-Y38 HydrophobicContact CZ-CG 3.44Å; F33-Y38 VanDerWaalsContact CZ-CG 3.44Å; F33-M97 HydrophobicContact CB-CB 4.22Å; F33-M97 HydrophobicContact CD1-CB 4.27Å; F33-M97 VanDerWaalsContact CD1-O 3.3Å; F33-M97 WeakPolarHBondContact CD1-O 3.38Å; F33-A98 HydrophobicContact CB-CB 3.71Å; F33-A98 HydrophobicContact CD1-CB 4.43Å; F33-A98 HydrophobicContact CG-CB 4.04Å; F33-L100 HydrophobicContact CE1-CD1 4.03Å; F33-V115 HydrophobicContact CD2-CB 4.37Å; F33-V115 HydrophobicContact CD2-CG1 4.21Å; F33-V115 HydrophobicContact CE2-CB 4.06Å; F33-V115 HydrophobicContact CE2-CG1 3.84Å; F33-V115 HydrophobicContact CE2-CG2 3.94Å; F33-V115 HydrophobicContact CZ-CB 4.42Å; F33-V115 HydrophobicContact CZ-CG2 3.86Å; F33-T118 HydrophobicContact CD2-CG2 4.04Å; F33-T118 HydrophobicContact CE2-CG2 3.84Å; F33-Y120 WeakPolarHBondContact CA-OH 3.45Å; F33-Y120 AromaticContact CD2-CE1 3.93Å; F33-Y120 HydrophobicContact CD2-CE1 3.93Å; F33-Y120 AromaticContact CE2-CE1 3.98Å; F33-Y120 HydrophobicContact CE2-CE1 3.98Å | ||
| 34 | D | 97.7 | Very high | 96.6 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -103.4 | 103 | 178.8 | -174.4 | -19.4 | 0 | 0 | 0 | 110.1 | S32 Q36 K37 Y38 Y120 | S32-D34 PolarHBondContact O-N 3.36Å; D34-Q36 PolarHBondContact O-N 3.29Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.27Å; D34-Q36 PolarHBondContact OD1-N 2.98Å; D34-K37 HydrophobicContact CB-CB 4.32Å; D34-K37 HydrophobicContact CB-CD 4.06Å; D34-K37 HydrophobicContact CB-CG 4.25Å; D34-K37 PolarHBondContact O-N 3.32Å; D34-K37 PolarHBondContact OD1-N 3.09Å; D34-K37 WeakPolarHBondContact OD2-CD 3.48Å; D34-K37 WeakPolarHBondContact OD2-CE 3.36Å; D34-K37 WeakPolarHBondContact OD2-CG 3.46Å; D34-K37 IonicContact OD2-NZ 2.89Å; D34-Y38 PolarHBondContact O-N 3.38Å; D34-Y120 HydrophobicContact CB-CE1 4.24Å; D34-Y120 PolarHBondContact N-OH 3.46Å; D34-Y120 VanDerWaalsContact N-OH 3.09Å; D34-Y120 WeakPolarHBondContact O-CE1 3.46Å | ||
| 35 | V | 96.8 | Very high | 97 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -38 | 179.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F33 K37 Y38 L39 I70 V91 M97 | F33-V35 HydrophobicContact CD1-CG2 4.02Å; F33-V35 HydrophobicContact CE1-CB 4.44Å; F33-V35 HydrophobicContact CE1-CG2 3.74Å; V35-K37 VanDerWaalsContact C-N 3.35Å; V35-K37 PolarHBondContact O-N 2.96Å; V35-Y38 WeakPolarHBondContact O-CB 3.44Å; V35-Y38 PolarHBondContact O-N 3.23Å; V35-Y38 VanDerWaalsContact O-N 3.08Å; V35-L39 HydrophobicContact CG1-CD2 4.32Å; V35-L39 WeakPolarHBondContact O-CG 2.99Å; V35-L39 PolarHBondContact O-N 3.12Å; V35-I70 HydrophobicContact CG1-CD1 3.59Å; V35-I70 HydrophobicContact CG1-CG1 4.16Å; V35-V91 HydrophobicContact CG2-CG2 4.21Å; V35-M97 HydrophobicContact CG2-CE 3.87Å |
| 36 | Q | 97.1 | Very high | 97.3 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | -175.3 | -63.3 | -61.8 | -39.9 | 0 | 0 | 111.2 | D34 Y38 L39 | D34-Q36 PolarHBondContact O-N 3.29Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.27Å; D34-Q36 PolarHBondContact OD1-N 2.98Å; Q36-Y38 PolarHBondContact O-N 3.29Å; Q36-L39 PolarHBondContact O-N 3.02Å |
| 37 | K | 98.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 44.3 Ų | 44.3 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.9 | -24 | 175.7 | -65.9 | 177.8 | -174.3 | 167.1 | 0 | 112.7 | D34 V35 Y120 R146 | D34-K37 HydrophobicContact CB-CB 4.32Å; D34-K37 HydrophobicContact CB-CD 4.06Å; D34-K37 HydrophobicContact CB-CG 4.25Å; D34-K37 PolarHBondContact O-N 3.32Å; D34-K37 PolarHBondContact OD1-N 3.09Å; D34-K37 WeakPolarHBondContact OD2-CD 3.48Å; D34-K37 WeakPolarHBondContact OD2-CE 3.36Å; D34-K37 WeakPolarHBondContact OD2-CG 3.46Å; D34-K37 IonicContact OD2-NZ 2.89Å; V35-K37 VanDerWaalsContact C-N 3.35Å; V35-K37 PolarHBondContact O-N 2.96Å; K37-Y120 HydrophobicContact CB-CD1 3.51Å; K37-Y120 HydrophobicContact CB-CD2 4.41Å; K37-Y120 HydrophobicContact CB-CE1 4.11Å; K37-Y120 HydrophobicContact CB-CG 3.68Å; K37-Y120 HydrophobicContact CD-CD2 4.38Å; K37-Y120 HydrophobicContact CD-CG 4.45Å; K37-R146 PolarHBondContact O-NH2 3.24Å; K37-R146 VanDerWaalsContact O-NH2 3.13Å |
| 38 | Y | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78.7 | -21.3 | 179.4 | -162.6 | -100.2 | 0 | 0 | 0 | 113.7 | F33 D34 V35 Q36 W42 Y62 Y113 V115 T118 Y120 A124 R146 | F33-Y38 AromaticContact CE2-CD2 3.51Å; F33-Y38 HydrophobicContact CE2-CD2 3.51Å; F33-Y38 HydrophobicContact CE2-CE2 4.13Å; F33-Y38 AromaticContact CE2-CG 3.78Å; F33-Y38 HydrophobicContact CE2-CG 3.78Å; F33-Y38 AromaticContact CZ-CD1 3.96Å; F33-Y38 HydrophobicContact CZ-CD1 3.96Å; F33-Y38 AromaticContact CZ-CD2 3.67Å; F33-Y38 HydrophobicContact CZ-CD2 3.67Å; F33-Y38 HydrophobicContact CZ-CE2 4.32Å; F33-Y38 AromaticContact CZ-CG 3.44Å; F33-Y38 HydrophobicContact CZ-CG 3.44Å; F33-Y38 VanDerWaalsContact CZ-CG 3.44Å; D34-Y38 PolarHBondContact O-N 3.38Å; V35-Y38 WeakPolarHBondContact O-CB 3.44Å; V35-Y38 PolarHBondContact O-N 3.23Å; V35-Y38 VanDerWaalsContact O-N 3.08Å; Q36-Y38 PolarHBondContact O-N 3.29Å; Y38-W42 HydrophobicContact CD2-CZ2 4.02Å; Y38-W42 AromaticContact CE2-CZ2 3.9Å; Y38-W42 HydrophobicContact CE2-CZ2 3.9Å; Y38-W42 AromaticContact CZ-NE1 4Å; Y38-W42 PolarHBondContact O-NE1 2.84Å; Y38-Y62 HydrophobicContact CE1-CD2 4.48Å; Y38-Y62 HydrophobicContact CE1-CE2 4.35Å; Y38-Y113 PolarHBondContact OH-OH 2.86Å; Y38-V115 HydrophobicContact CE2-CG1 4.22Å; Y38-V115 HydrophobicContact CE2-CG2 4.3Å; Y38-T118 HydrophobicContact CD2-CG2 4.06Å; Y38-T118 HydrophobicContact CE2-CG2 4.26Å; Y38-Y120 HydrophobicContact CD2-CD1 4.45Å; Y38-A124 HydrophobicContact CE2-CB 3.56Å; Y38-A124 WeakPolarHBondContact OH-CB 3.35Å; Y38-R146 PolarHBondContact O-NH2 3.17Å |
| 39 | L | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | trans | -58 | 168.2 | -178.9 | -60.2 | -178.1 | 0 | 0 | 0 | 113.1 | V35 Q36 L64 I70 R146 | V35-L39 HydrophobicContact CG1-CD2 4.32Å; V35-L39 WeakPolarHBondContact O-CG 2.99Å; V35-L39 PolarHBondContact O-N 3.12Å; Q36-L39 PolarHBondContact O-N 3.02Å; L39-L64 HydrophobicContact CD1-CB 3.93Å; L39-I70 HydrophobicContact CD2-CG2 4.23Å; L39-R146 PolarHBondContact O-NH1 3.39Å; L39-R146 PolarHBondContact O-NH2 2.64Å | ||
| 40 | G | 98.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.7 | -158.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y62 | G40-Y62 PolarHBondContact N-O 2.82Å; G40-Y62 WeakPolarHBondContact O-CD2 3.44Å; G40-Y62 PolarHBondContact O-N 2.84Å |
| 41 | R | 98.6 | Very high | 96.8 | Very high | 107 Ų | 107 | 42 Ų | 42 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 139.2 | -170.1 | -169.4 | -174 | -55.5 | -144.6 | 9.5 | 112.6 | Y43 E59 A60 R146 | R41-Y43 WeakPolarHBondContact CD-OH 3.49Å; R41-E59 WeakPolarHBondContact CD-OE2 3.35Å; R41-E59 HydrophobicContact CG-CB 4.45Å; R41-E59 IonicContact CZ-OE1 3.64Å; R41-E59 IonicContact CZ-OE2 3.82Å; R41-E59 IonicContact NE-OE1 3.97Å; R41-E59 IonicContact NE-OE2 3.97Å; R41-E59 IonicContact NH1-OE1 3.05Å; R41-E59 PolarHBondContact NH1-OE1 3.11Å; R41-E59 IonicContact NH1-OE2 2.92Å; R41-E59 PolarHBondContact NH1-OE2 3.32Å; R41-A60 CarbonylContact C-O 3.54Å; R41-A60 WeakPolarHBondContact CA-O 3.31Å; R41-R146 WeakPolarHBondContact O-CD 3.42Å; R41-R146 PolarHBondContact O-NH1 2.89Å |
| 42 | W | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.6 | 170.5 | -72.2 | 93.8 | 0 | 0 | 0 | 109.6 | Y38 E59 A60 Y62 L123 A124 L144 S145 R146 | Y38-W42 HydrophobicContact CD2-CZ2 4.02Å; Y38-W42 AromaticContact CE2-CZ2 3.9Å; Y38-W42 HydrophobicContact CE2-CZ2 3.9Å; Y38-W42 AromaticContact CZ-NE1 4Å; Y38-W42 PolarHBondContact O-NE1 2.84Å; W42-E59 CarbonylContact O-C 3.58Å; W42-E59 VanDerWaalsContact O-CA 3.28Å; W42-E59 WeakPolarHBondContact O-CA 3.45Å; W42-A60 PolarHBondContact N-O 2.89Å; W42-A60 PolarHBondContact O-N 3.09Å; W42-Y62 HydrophobicContact CB-CE2 4.33Å; W42-Y62 AromaticContact CD1-CD2 3.69Å; W42-Y62 AromaticContact CD1-CE2 3.68Å; W42-Y62 HydrophobicContact CG-CE2 4.31Å; W42-L123 VanDerWaalsContact CZ3-C 3.45Å; W42-A124 HydrophobicContact CE3-CB 4.22Å; W42-A124 HydrophobicContact CH2-CB 3.8Å; W42-A124 HydrophobicContact CZ2-CB 4.15Å; W42-A124 HydrophobicContact CZ3-CB 3.84Å; W42-L144 HydrophobicContact CB-CB 4.2Å; W42-L144 HydrophobicContact CB-CD1 4.27Å; W42-L144 HydrophobicContact CD2-CB 4.3Å; W42-L144 HydrophobicContact CE3-CB 3.79Å; W42-S145 VanDerWaalsContact CE3-C 3.47Å; W42-R146 VanDerWaalsContact CE2-NE 3.34Å; W42-R146 HydrophobicContact CE3-CG 4.25Å; W42-R146 HydrophobicContact CH2-CG 4.03Å; W42-R146 HydrophobicContact CZ2-CG 4.44Å; W42-R146 HydrophobicContact CZ3-CG 3.92Å; W42-R146 VanDerWaalsContact NE1-CZ 3.31Å |
| 43 | Y | 98.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.3 | 172.2 | -59.5 | -74.8 | 0 | 0 | 0 | 109.6 | R41 I45 E59 L144 S145 R146 R148 | R41-Y43 WeakPolarHBondContact CD-OH 3.49Å; Y43-I45 PolarHBondContact O-N 2.86Å; Y43-E59 HydrophobicContact CD1-CB 3.92Å; Y43-E59 HydrophobicContact CE1-CB 4.24Å; Y43-E59 WeakPolarHBondContact CE1-OE2 3.35Å; Y43-L144 CarbonylContact O-C 3.54Å; Y43-L144 VanDerWaalsContact O-CA 3.28Å; Y43-L144 WeakPolarHBondContact O-CA 3.24Å; Y43-S145 WeakPolarHBondContact CD2-O 3.47Å; Y43-S145 PolarHBondContact N-O 2.78Å; Y43-S145 PolarHBondContact O-N 2.67Å; Y43-R146 WeakPolarHBondContact CE2-O 3.29Å; Y43-R148 HydrophobicContact CD1-CG 3.59Å; Y43-R148 HydrophobicContact CD2-CG 3.96Å; Y43-R148 HydrophobicContact CE1-CG 3.66Å; Y43-R148 VanDerWaalsContact CE1-NE 3.3Å; Y43-R148 HydrophobicContact CE2-CG 4.02Å; Y43-R148 HydrophobicContact CG-CG 3.74Å |
| 44 | E | 98.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119 | 171.5 | -178.2 | -172.1 | 98.9 | 0 | 0 | 109.7 | R47 I58 W142 L144 T175 Q177 | E44-R47 VanDerWaalsContact CD-CD 3.46Å; E44-R47 HydrophobicContact CG-CB 4.48Å; E44-R47 VanDerWaalsContact OE1-CD 3.24Å; E44-R47 WeakPolarHBondContact OE1-CD 3.44Å; E44-R47 IonicContact OE1-CZ 2.93Å; E44-R47 IonicContact OE1-NE 3.87Å; E44-R47 PolarHBondContact OE1-NE 3.32Å; E44-R47 WeakPolarHBondContact OE2-CD 3.48Å; E44-R47 IonicContact OE2-NE 3.54Å; E44-I58 HydrophobicContact CB-CB 3.97Å; E44-I58 HydrophobicContact CB-CG2 3.88Å; E44-I58 PolarHBondContact N-O 2.93Å; E44-I58 VanDerWaalsContact OE1-CD1 3.22Å; E44-I58 WeakPolarHBondContact OE1-CD1 3.31Å; E44-W142 VanDerWaalsContact OE2-CD1 3.28Å; E44-L144 HydrophobicContact CB-CD2 4.27Å; E44-T175 HydrophobicContact CB-CG2 4.44Å; E44-T175 HydrophobicContact CG-CG2 4.44Å; E44-T175 VanDerWaalsContact O-CB 3.26Å; E44-T175 WeakPolarHBondContact O-CB 3.38Å; E44-T175 WeakPolarHBondContact O-CG2 3.21Å; E44-T175 PolarHBondContact OE1-OG1 2.88Å; E44-Q177 PolarHBondContact O-NE2 2.63Å |
| 45 | I | 98.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -39.4 | -178.1 | -55.5 | -55.6 | 0 | 0 | 0 | 111 | Y43 I143 P150 V155 T175 Q177 | Y43-I45 PolarHBondContact O-N 2.86Å; I45-I143 HydrophobicContact CB-CG2 4.3Å; I45-I143 WeakPolarHBondContact CB-O 3.06Å; I45-I143 PolarHBondContact N-O 3.42Å; I45-P150 HydrophobicContact CD1-CG 4.03Å; I45-P150 HydrophobicContact CG1-CG 3.98Å; I45-P150 HydrophobicContact CG2-CG 3.92Å; I45-V155 HydrophobicContact CG2-CG2 3.91Å; I45-T175 PolarHBondContact O-N 2.95Å; I45-Q177 HydrophobicContact CD1-CG 4.46Å |
| 46 | A | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | W142 I143 M172 K173 | A46-W142 WeakPolarHBondContact O-CA 3.34Å; A46-I143 HydrophobicContact CB-CB 4.32Å; A46-I143 HydrophobicContact CB-CD1 4.2Å; A46-I143 HydrophobicContact CB-CG1 4.46Å; A46-I143 PolarHBondContact N-O 3.05Å; A46-I143 PolarHBondContact O-N 2.9Å; A46-M172 HydrophobicContact CB-CG 3.98Å; A46-M172 HydrophobicContact CB-SD 3.99Å; A46-K173 CarbonylContact C-O 3.59Å; A46-K173 WeakPolarHBondContact CA-O 2.85Å; A46-K173 WeakPolarHBondContact CB-O 3.41Å |
| 47 | R | 97.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.6 | 177.2 | 58 | 167.8 | 163.9 | 130.1 | 15.6 | 113.7 | E44 N50 E53 A141 W142 M172 K173 | E44-R47 VanDerWaalsContact CD-CD 3.46Å; E44-R47 HydrophobicContact CG-CB 4.48Å; E44-R47 VanDerWaalsContact OE1-CD 3.24Å; E44-R47 WeakPolarHBondContact OE1-CD 3.44Å; E44-R47 IonicContact OE1-CZ 2.93Å; E44-R47 IonicContact OE1-NE 3.87Å; E44-R47 PolarHBondContact OE1-NE 3.32Å; E44-R47 WeakPolarHBondContact OE2-CD 3.48Å; E44-R47 IonicContact OE2-NE 3.54Å; R47-N50 PolarHBondContact NH1-ND2 3.47Å; R47-N50 PolarHBondContact NH1-OD1 2.9Å; R47-E53 WeakPolarHBondContact CD-OE2 3.48Å; R47-E53 IonicContact CZ-OE2 2.84Å; R47-E53 VanDerWaalsContact CZ-OE2 3.27Å; R47-E53 IonicContact NE-OE2 3.61Å; R47-E53 PolarHBondContact NE-OE2 2.95Å; R47-E53 PolarHBondContact NH1-O 2.03Å; R47-E53 IonicContact NH1-OE2 3.2Å; R47-E53 PolarHBondContact NH1-OE2 3.3Å; R47-E53 VanDerWaalsContact NH2-C 3.33Å; R47-E53 PolarHBondContact NH2-O 3.24Å; R47-A141 CarbonylContact C-O 3.54Å; R47-A141 WeakPolarHBondContact CA-O 3.14Å; R47-A141 WeakPolarHBondContact CB-O 3.28Å; R47-W142 HydrophobicContact CB-CG 4.2Å; R47-M172 CarbonylContact O-C 3.51Å; R47-M172 WeakPolarHBondContact O-CA 3.4Å; R47-M172 WeakPolarHBondContact O-CG 2.96Å; R47-K173 PolarHBondContact N-O 2.92Å; R47-K173 PolarHBondContact O-N 2.98Å |
| 48 | L | 96.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -67.4 | 146.7 | 161.4 | -70.4 | 178.5 | 0 | 0 | 0 | 110.1 | N50 E139 A141 I167 D168 M172 | L48-N50 PolarHBondContact O-N 3.11Å; L48-E139 HydrophobicContact CD1-CG 4.28Å; L48-A141 HydrophobicContact CD1-CB 3.78Å; L48-A141 HydrophobicContact CG-CB 3.92Å; L48-A141 PolarHBondContact N-O 3.31Å; L48-I167 HydrophobicContact CD1-CG2 4.17Å; L48-D168 WeakPolarHBondContact CD2-O 3.18Å; L48-M172 HydrophobicContact CD2-CB 4.04Å; L48-M172 HydrophobicContact CD2-CE 4.46Å; L48-M172 HydrophobicContact CG-CE 4.2Å | ||
| 49 | P | 93 | Very high | 95.5 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | trans | -60.9 | 133.7 | -175.8 | -22.6 | 34.1 | 0 | 0 | 0 | 112 | R171 | P49-R171 VanDerWaalsContact CD-O 3.26Å; P49-R171 WeakPolarHBondContact CD-O 3.4Å; P49-R171 HydrophobicContact CG-CB 4.04Å; P49-R171 WeakPolarHBondContact CG-O 3.41Å | ||
| 50 | N | 91.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | trans | -138.1 | 169.5 | 168.1 | 66.8 | 54 | 0 | 0 | 0 | 110.9 | R47 L48 F52 E53 Y140 | R47-N50 PolarHBondContact NH1-ND2 3.47Å; R47-N50 PolarHBondContact NH1-OD1 2.9Å; L48-N50 PolarHBondContact O-N 3.11Å; N50-F52 HydrophobicContact CB-CD1 4Å; N50-F52 HydrophobicContact CB-CE1 3.54Å; N50-F52 HydrophobicContact CB-CE2 4.36Å; N50-F52 HydrophobicContact CB-CZ 3.74Å; N50-F52 VanDerWaalsContact CG-CE2 3.49Å; N50-F52 WeakPolarHBondContact ND2-CE2 3.35Å; N50-F52 WeakPolarHBondContact ND2-CZ 3.44Å; N50-F52 WeakPolarHBondContact OD1-CD2 3.36Å; N50-F52 PolarHBondContact OD1-N 3.4Å; N50-E53 VanDerWaalsContact CG-OE2 3.3Å; N50-E53 PolarHBondContact ND2-OE2 3.43Å; N50-E53 PolarHBondContact OD1-N 2.8Å; N50-E53 PolarHBondContact OD1-OE2 2.89Å; N50-Y140 HydrophobicContact CB-CD1 3.68Å; N50-Y140 HydrophobicContact CB-CE1 3.42Å; N50-Y140 VanDerWaalsContact CB-CE1 3.42Å | ||
| 51 | S | 88.4 | Confident | 95.5 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 44% | 0.441 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -85.9 | -17.2 | -174.7 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 52 | F | 88.7 | Confident | 95.5 | Very high | 100 Ų | 100 | 31.4 Ų | 31.4 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -97.4 | -31.7 | -168.2 | 49 | -95.9 | 0 | 0 | 0 | 114.1 | N50 Q76 Y140 W142 | N50-F52 HydrophobicContact CB-CD1 4Å; N50-F52 HydrophobicContact CB-CE1 3.54Å; N50-F52 HydrophobicContact CB-CE2 4.36Å; N50-F52 HydrophobicContact CB-CZ 3.74Å; N50-F52 VanDerWaalsContact CG-CE2 3.49Å; N50-F52 WeakPolarHBondContact ND2-CE2 3.35Å; N50-F52 WeakPolarHBondContact ND2-CZ 3.44Å; N50-F52 WeakPolarHBondContact OD1-CD2 3.36Å; N50-F52 PolarHBondContact OD1-N 3.4Å; F52-Q76 PolarHBondContact O-NE2 2.99Å; F52-Q76 VanDerWaalsContact O-NE2 3.09Å; F52-Y140 HydrophobicContact CE1-CE1 4.27Å; F52-W142 HydrophobicContact CE2-CZ2 4.36Å; F52-W142 HydrophobicContact CZ-CZ2 4.07Å |
| 53 | E | 89.4 | Confident | 95.5 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | trans | -97 | 119.7 | 165.7 | -38.2 | 119 | 170 | 0 | 0 | 109.9 | R47 N50 I58 W142 | R47-E53 WeakPolarHBondContact CD-OE2 3.48Å; R47-E53 IonicContact CZ-OE2 2.84Å; R47-E53 VanDerWaalsContact CZ-OE2 3.27Å; R47-E53 IonicContact NE-OE2 3.61Å; R47-E53 PolarHBondContact NE-OE2 2.95Å; R47-E53 PolarHBondContact NH1-O 2.03Å; R47-E53 IonicContact NH1-OE2 3.2Å; R47-E53 PolarHBondContact NH1-OE2 3.3Å; R47-E53 VanDerWaalsContact NH2-C 3.33Å; R47-E53 PolarHBondContact NH2-O 3.24Å; N50-E53 VanDerWaalsContact CG-OE2 3.3Å; N50-E53 PolarHBondContact ND2-OE2 3.43Å; N50-E53 PolarHBondContact OD1-N 2.8Å; N50-E53 PolarHBondContact OD1-OE2 2.89Å; E53-I58 HydrophobicContact CB-CD1 3.51Å; E53-I58 HydrophobicContact CB-CG1 4.37Å; E53-I58 HydrophobicContact CG-CD1 4.25Å; E53-I58 HydrophobicContact CG-CG2 4.29Å; E53-W142 PolarHBondContact OE1-NE1 2.79Å | ||
| 54 | R | 91.3 | Very high | 95.5 | Very high | 156 Ų | 156 | 35.2 Ų | 35.2 | 59% | 0.589 | 18% | 0.18 | S | C | * | . | trans | -131 | -8 | -177.8 | -70.1 | -177.6 | -72.6 | 162.2 | -5.2 | 112.9 | Y78 | R54-Y78 HydrophobicContact CB-CD2 3.92Å; R54-Y78 HydrophobicContact CB-CE2 3.63Å; R54-Y78 PolarHBondContact NH1-OH 2.91Å | ||
| 55 | G | 93.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -91.8 | -156.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L77 | G55-L77 CarbonylContact C-O 3.57Å; G55-L77 WeakPolarHBondContact CA-O 3.39Å |
| 56 | K | 95.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 178.8 | 174.7 | 62.9 | 178.6 | -178.5 | 177.8 | 0 | 109.8 | I58 L77 D176 | K56-I58 PolarHBondContact O-N 3.28Å; K56-L77 HydrophobicContact CG-CB 4.12Å; K56-L77 HydrophobicContact CG-CD2 4.33Å; K56-L77 HydrophobicContact CG-CG 4.48Å; K56-L77 PolarHBondContact N-O 2.96Å; K56-L77 PolarHBondContact O-N 3.27Å; K56-D176 HydrophobicContact CB-CB 3.89Å; K56-D176 WeakPolarHBondContact CB-O 3.4Å; K56-D176 WeakPolarHBondContact CD-OD2 3.19Å |
| 57 | C | 96.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 53 Ų | 53 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 37.6 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | E59 L77 D176 C179 | C57-E59 PolarHBondContact O-N 3.13Å; C57-L77 HydrophobicContact CB-CB 4.14Å; C57-D176 PolarHBondContact N-O 2.83Å; C57-C179 WeakPolarHBondContact CA-SG 3.43Å; C57-C179 HydrophobicContact CB-CB 4.05Å; C57-C179 WeakPolarHBondContact CB-SG 3.33Å; C57-C179 WeakPolarHBondContact SG-CA 3.03Å; C57-C179 WeakPolarHBondContact SG-CB 3.38Å; C57-C179 CovalentContact SG-SG 2.02Å; C57-C179 PolarHBondContact SG-SG 3.38Å |
| 58 | I | 97.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.4 | -174.7 | -60.3 | 162.9 | 0 | 0 | 0 | 108.2 | E44 E53 K56 S75 Q76 T175 Q177 | E44-I58 HydrophobicContact CB-CB 3.97Å; E44-I58 HydrophobicContact CB-CG2 3.88Å; E44-I58 PolarHBondContact N-O 2.93Å; E44-I58 VanDerWaalsContact OE1-CD1 3.22Å; E44-I58 WeakPolarHBondContact OE1-CD1 3.31Å; E53-I58 HydrophobicContact CB-CD1 3.51Å; E53-I58 HydrophobicContact CB-CG1 4.37Å; E53-I58 HydrophobicContact CG-CD1 4.25Å; E53-I58 HydrophobicContact CG-CG2 4.29Å; K56-I58 PolarHBondContact O-N 3.28Å; I58-S75 VanDerWaalsContact CA-O 3.29Å; I58-S75 WeakPolarHBondContact CA-O 3.21Å; I58-Q76 HydrophobicContact CG1-CB 3.74Å; I58-T175 HydrophobicContact CB-CG2 4.12Å; I58-T175 HydrophobicContact CD1-CG2 3.9Å; I58-T175 HydrophobicContact CG1-CG2 4.19Å; I58-Q177 PolarHBondContact O-NE2 3.27Å |
| 59 | E | 97.9 | Very high | 94.8 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.9 | 174.6 | 61.7 | 174 | -138.4 | 0 | 0 | 110.9 | R41 W42 Y43 C57 N74 S75 | R41-E59 WeakPolarHBondContact CD-OE2 3.35Å; R41-E59 HydrophobicContact CG-CB 4.45Å; R41-E59 IonicContact CZ-OE1 3.64Å; R41-E59 IonicContact CZ-OE2 3.82Å; R41-E59 IonicContact NE-OE1 3.97Å; R41-E59 IonicContact NE-OE2 3.97Å; R41-E59 IonicContact NH1-OE1 3.05Å; R41-E59 PolarHBondContact NH1-OE1 3.11Å; R41-E59 IonicContact NH1-OE2 2.92Å; R41-E59 PolarHBondContact NH1-OE2 3.32Å; W42-E59 CarbonylContact O-C 3.58Å; W42-E59 VanDerWaalsContact O-CA 3.28Å; W42-E59 WeakPolarHBondContact O-CA 3.45Å; Y43-E59 HydrophobicContact CD1-CB 3.92Å; Y43-E59 HydrophobicContact CE1-CB 4.24Å; Y43-E59 WeakPolarHBondContact CE1-OE2 3.35Å; C57-E59 PolarHBondContact O-N 3.13Å; E59-N74 CarbonylContact O-C 3.55Å; E59-N74 WeakPolarHBondContact O-CA 3.45Å; E59-S75 PolarHBondContact N-O 3.45Å; E59-S75 PolarHBondContact O-N 2.91Å |
| 60 | A | 98.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R41 W42 Y62 L73 N74 | R41-A60 CarbonylContact C-O 3.54Å; R41-A60 WeakPolarHBondContact CA-O 3.31Å; W42-A60 PolarHBondContact N-O 2.89Å; W42-A60 PolarHBondContact O-N 3.09Å; A60-Y62 HydrophobicContact CB-CD2 4.47Å; A60-Y62 HydrophobicContact CB-CE2 3.55Å; A60-Y62 WeakPolarHBondContact CB-OH 3.38Å; A60-L73 CarbonylContact C-O 3.52Å; A60-L73 WeakPolarHBondContact CA-O 3.46Å; A60-N74 WeakPolarHBondContact CB-OD1 3.39Å |
| 61 | N | 98.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.6 | 172.2 | -169.7 | -49.5 | 0 | 0 | 0 | 110 | L73 | N61-L73 HydrophobicContact CB-CB 4.46Å; N61-L73 PolarHBondContact N-O 2.8Å; N61-L73 PolarHBondContact O-N 3.38Å |
| 62 | Y | 98.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.3 | 179.6 | -56.5 | -91.7 | 0 | 0 | 0 | 110 | Y38 G40 W42 A60 I70 R71 V72 Y113 | Y38-Y62 HydrophobicContact CE1-CD2 4.48Å; Y38-Y62 HydrophobicContact CE1-CE2 4.35Å; G40-Y62 PolarHBondContact N-O 2.82Å; G40-Y62 WeakPolarHBondContact O-CD2 3.44Å; G40-Y62 PolarHBondContact O-N 2.84Å; W42-Y62 HydrophobicContact CB-CE2 4.33Å; W42-Y62 AromaticContact CD1-CD2 3.69Å; W42-Y62 AromaticContact CD1-CE2 3.68Å; W42-Y62 HydrophobicContact CG-CE2 4.31Å; A60-Y62 HydrophobicContact CB-CD2 4.47Å; A60-Y62 HydrophobicContact CB-CE2 3.55Å; A60-Y62 WeakPolarHBondContact CB-OH 3.38Å; Y62-I70 HydrophobicContact CD1-CG2 4.18Å; Y62-R71 VanDerWaalsContact CA-O 3.29Å; Y62-R71 WeakPolarHBondContact CA-O 3.48Å; Y62-V72 HydrophobicContact CD1-CB 4.47Å; Y62-V72 HydrophobicContact CD1-CG1 4.25Å; Y62-V72 HydrophobicContact CD1-CG2 3.88Å; Y62-V72 HydrophobicContact CE1-CB 4.39Å; Y62-V72 HydrophobicContact CE1-CG1 3.76Å; Y62-V72 HydrophobicContact CE1-CG2 3.92Å; Y62-Y113 PolarHBondContact OH-OH 3.38Å |
| 63 | A | 98.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I70 R71 | A63-I70 CarbonylContact O-C 3.56Å; A63-R71 HydrophobicContact CB-CB 4.45Å; A63-R71 PolarHBondContact N-O 3.47Å; A63-R71 PolarHBondContact O-N 2.8Å |
| 64 | L | 97.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 54 Ų | 54 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.7 | 175.3 | -165.9 | 70.3 | 0 | 0 | 0 | 110.2 | L39 I70 | L39-L64 HydrophobicContact CD1-CB 3.93Å; L64-I70 HydrophobicContact CD1-CG1 4.5Å |
| 65 | R | 97 | Very high | 97 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | trans | -94 | 162.2 | 171.4 | -66.3 | -164.8 | -177.8 | 104.5 | -5.9 | 110.4 | D67 G68 T69 I70 R71 E86 G87 T88 | R65-D67 WeakPolarHBondContact CB-OD1 3.36Å; R65-D67 PolarHBondContact O-N 3.32Å; R65-G68 PolarHBondContact O-N 3.34Å; R65-G68 VanDerWaalsContact O-N 3.08Å; R65-T69 WeakPolarHBondContact CB-O 3.47Å; R65-T69 PolarHBondContact N-O 2.85Å; R65-T69 PolarHBondContact NH1-OG1 2.88Å; R65-I70 PolarHBondContact NH1-O 2.6Å; R65-R71 HydrophobicContact CG-CB 4.13Å; R65-R71 VanDerWaalsContact CZ-CA 3.47Å; R65-E86 IonicContact NH2-OE1 3.6Å; R65-E86 PolarHBondContact NH2-OE1 3.09Å; R65-G87 PolarHBondContact NH2-O 3.32Å; R65-T88 PolarHBondContact NH1-OG1 3.35Å | ||
| 66 | K | 95.6 | Very high | 97.1 | Very high | 227 Ų | 227 | 48 Ų | 48 | 99% | 0.987 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.1 | 179.4 | -66.1 | -175.9 | 179.2 | -179.1 | 0 | 113.2 | G68 | K66-G68 PolarHBondContact O-N 2.84Š|
| 67 | D | 94.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.6 | 177.8 | 63.2 | 5.1 | 0 | 0 | 0 | 113.4 | R65 T69 | R65-D67 WeakPolarHBondContact CB-OD1 3.36Å; R65-D67 PolarHBondContact O-N 3.32Å; D67-T69 VanDerWaalsContact C-N 3.28Å; D67-T69 PolarHBondContact O-N 2.78Å; D67-T69 WeakPolarHBondContact OD1-CB 3.11Å; D67-T69 PolarHBondContact OD1-N 2.82Å; D67-T69 PolarHBondContact OD1-OG1 2.85Å; D67-T69 PolarHBondContact OD2-OG1 3.29Å |
| 68 | G | 92.8 | Very high | 97 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 83.2 | -3.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R65 K66 | R65-G68 PolarHBondContact O-N 3.34Å; R65-G68 VanDerWaalsContact O-N 3.08Å; K66-G68 PolarHBondContact O-N 2.84Å |
| 69 | T | 96.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | trans | -79.2 | 166 | 172 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | R65 D67 T88 V90 | R65-T69 WeakPolarHBondContact CB-O 3.47Å; R65-T69 PolarHBondContact N-O 2.85Å; R65-T69 PolarHBondContact NH1-OG1 2.88Å; D67-T69 VanDerWaalsContact C-N 3.28Å; D67-T69 PolarHBondContact O-N 2.78Å; D67-T69 WeakPolarHBondContact OD1-CB 3.11Å; D67-T69 PolarHBondContact OD1-N 2.82Å; D67-T69 PolarHBondContact OD1-OG1 2.85Å; D67-T69 PolarHBondContact OD2-OG1 3.29Å; T69-T88 HydrophobicContact CG2-CG2 4.2Å; T69-V90 HydrophobicContact CG2-CG1 4.04Å | ||
| 70 | I | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 121.9 | 179.1 | -57.6 | 155.6 | 0 | 0 | 0 | 108.2 | V35 L39 Y62 A63 L64 R65 T88 A89 L100 | V35-I70 HydrophobicContact CG1-CD1 3.59Å; V35-I70 HydrophobicContact CG1-CG1 4.16Å; L39-I70 HydrophobicContact CD2-CG2 4.23Å; Y62-I70 HydrophobicContact CD1-CG2 4.18Å; A63-I70 CarbonylContact O-C 3.56Å; L64-I70 HydrophobicContact CD1-CG1 4.5Å; R65-I70 PolarHBondContact NH1-O 2.6Å; I70-T88 CarbonylContact O-C 3.53Å; I70-T88 WeakPolarHBondContact O-CA 3.3Å; I70-A89 HydrophobicContact CB-CB 4.1Å; I70-A89 PolarHBondContact N-O 3.4Å; I70-A89 PolarHBondContact O-N 3.07Å; I70-L100 HydrophobicContact CD1-CD2 3.65Å |
| 71 | R | 98.3 | Very high | 96 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.4 | 166.1 | -177.4 | 169.1 | 73.3 | 126.1 | 3 | 109.3 | Y62 A63 R65 E86 | Y62-R71 VanDerWaalsContact CA-O 3.29Å; Y62-R71 WeakPolarHBondContact CA-O 3.48Å; A63-R71 HydrophobicContact CB-CB 4.45Å; A63-R71 PolarHBondContact N-O 3.47Å; A63-R71 PolarHBondContact O-N 2.8Å; R65-R71 HydrophobicContact CG-CB 4.13Å; R65-R71 VanDerWaalsContact CZ-CA 3.47Å; R71-E86 VanDerWaalsContact CD-OE1 3.32Å; R71-E86 WeakPolarHBondContact CD-OE1 3.44Å; R71-E86 HydrophobicContact CG-CG 4.08Å; R71-E86 IonicContact NH1-OE2 3.51Å |
| 72 | V | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.7 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | Y62 E86 G87 A89 V102 F104 | Y62-V72 HydrophobicContact CD1-CB 4.47Å; Y62-V72 HydrophobicContact CD1-CG1 4.25Å; Y62-V72 HydrophobicContact CD1-CG2 3.88Å; Y62-V72 HydrophobicContact CE1-CB 4.39Å; Y62-V72 HydrophobicContact CE1-CG1 3.76Å; Y62-V72 HydrophobicContact CE1-CG2 3.92Å; V72-E86 CarbonylContact O-C 3.58Å; V72-E86 WeakPolarHBondContact O-CA 3.29Å; V72-G87 PolarHBondContact N-O 2.91Å; V72-G87 PolarHBondContact O-N 2.92Å; V72-A89 HydrophobicContact CG2-CB 3.72Å; V72-V102 HydrophobicContact CG2-CG2 4.13Å; V72-F104 HydrophobicContact CB-CZ 4.47Å; V72-F104 HydrophobicContact CG1-CE1 4.37Å; V72-F104 HydrophobicContact CG1-CZ 3.99Å |
| 73 | L | 98.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 104.9 | 175.8 | -179.8 | 66 | 0 | 0 | 0 | 109.5 | A60 N61 E86 | A60-L73 CarbonylContact C-O 3.52Å; A60-L73 WeakPolarHBondContact CA-O 3.46Å; N61-L73 HydrophobicContact CB-CB 4.46Å; N61-L73 PolarHBondContact N-O 2.8Å; N61-L73 PolarHBondContact O-N 3.38Å; L73-E86 HydrophobicContact CD1-CB 4.17Å |
| 74 | N | 98.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 76.7 Ų | 76.7 | 16% | 0.16 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.5 | 172 | -71.2 | -39 | 0 | 0 | 0 | 110.2 | E59 A60 T84 A85 F104 | E59-N74 CarbonylContact O-C 3.55Å; E59-N74 WeakPolarHBondContact O-CA 3.45Å; A60-N74 WeakPolarHBondContact CB-OD1 3.39Å; N74-T84 CarbonylContact O-C 3.58Å; N74-T84 WeakPolarHBondContact O-CA 3.43Å; N74-A85 PolarHBondContact N-O 2.79Å; N74-A85 PolarHBondContact O-N 2.83Å; N74-F104 WeakPolarHBondContact ND2-CE1 3.14Å; N74-F104 WeakPolarHBondContact ND2-CZ 3.48Å |
| 75 | S | 97.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 75 Ų | 75 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.8 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | I58 E59 S83 | I58-S75 VanDerWaalsContact CA-O 3.29Å; I58-S75 WeakPolarHBondContact CA-O 3.21Å; E59-S75 PolarHBondContact N-O 3.45Å; E59-S75 PolarHBondContact O-N 2.91Å; S75-S83 CarbonylContact C-O 3.51Å; S75-S83 WeakPolarHBondContact CA-O 3.44Å |
| 76 | Q | 96.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 77 Ų | 77 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.2 | 173 | 69 | -177.9 | -59.5 | 0 | 0 | 110.4 | F52 I58 V82 S83 | F52-Q76 PolarHBondContact O-NE2 2.99Å; F52-Q76 VanDerWaalsContact O-NE2 3.09Å; I58-Q76 HydrophobicContact CG1-CB 3.74Å; Q76-V82 WeakPolarHBondContact O-CA 3.21Å; Q76-S83 PolarHBondContact N-O 3.4Å; Q76-S83 PolarHBondContact O-N 2.87Å |
| 77 | L | 95.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.6 | 167.7 | -175 | 64.2 | 0 | 0 | 0 | 109 | G55 K56 C57 V82 | G55-L77 CarbonylContact C-O 3.57Å; G55-L77 WeakPolarHBondContact CA-O 3.39Å; K56-L77 HydrophobicContact CG-CB 4.12Å; K56-L77 HydrophobicContact CG-CD2 4.33Å; K56-L77 HydrophobicContact CG-CG 4.48Å; K56-L77 PolarHBondContact N-O 2.96Å; K56-L77 PolarHBondContact O-N 3.27Å; C57-L77 HydrophobicContact CB-CB 4.14Å; L77-V82 HydrophobicContact CD1-CG2 4.4Å |
| 78 | Y | 93.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 62 Ų | 62 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.1 | -178.9 | -179.3 | -114.1 | 0 | 0 | 0 | 110.4 | R54 D80 K81 | R54-Y78 HydrophobicContact CB-CD2 3.92Å; R54-Y78 HydrophobicContact CB-CE2 3.63Å; R54-Y78 PolarHBondContact NH1-OH 2.91Å; Y78-D80 VanDerWaalsContact C-N 3.25Å; Y78-D80 PolarHBondContact O-N 2.89Å; Y78-K81 PolarHBondContact N-O 2.97Å; Y78-K81 PolarHBondContact O-N 3.33Å |
| 79 | K | 92 | Very high | 95.9 | Very high | 161 Ų | 161 | 59.6 Ų | 59.6 | 70% | 0.7 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 47.2 | -174.1 | -59.1 | -178.1 | 174.1 | -174 | 0 | 112.1 | K81 | K79-K81 PolarHBondContact O-N 3.12Å; K79-K81 VanDerWaalsContact O-N 3.08Å |
| 80 | D | 87.6 | Confident | 95.9 | Very high | 137 Ų | 137 | 60 Ų | 60 | 73% | 0.733 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.4 | -178.3 | -54.2 | -50.7 | 0 | 0 | 0 | 115.5 | Y78 | Y78-D80 VanDerWaalsContact C-N 3.25Å; Y78-D80 PolarHBondContact O-N 2.89Å |
| 81 | K | 92.5 | Very high | 95.8 | Very high | 161 Ų | 161 | 61.6 Ų | 61.6 | 70% | 0.7 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.7 | 173.2 | -65.9 | -177.5 | 179.4 | -175.6 | 0 | 110.4 | Y78 K79 S83 | Y78-K81 PolarHBondContact N-O 2.97Å; Y78-K81 PolarHBondContact O-N 3.33Å; K79-K81 PolarHBondContact O-N 3.12Å; K79-K81 VanDerWaalsContact O-N 3.08Å; K81-S83 PolarHBondContact O-N 3.21Å |
| 82 | V | 94.6 | Very high | 95.6 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | Q76 L77 T84 | Q76-V82 WeakPolarHBondContact O-CA 3.21Å; L77-V82 HydrophobicContact CD1-CG2 4.4Å; V82-T84 HydrophobicContact CG1-CG2 4.2Å |
| 83 | S | 95.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.5 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | S75 Q76 K81 | S75-S83 CarbonylContact C-O 3.51Å; S75-S83 WeakPolarHBondContact CA-O 3.44Å; Q76-S83 PolarHBondContact N-O 3.4Å; Q76-S83 PolarHBondContact O-N 2.87Å; K81-S83 PolarHBondContact O-N 3.21Å |
| 84 | T | 96.4 | Very high | 95 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 153.3 | -178.8 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | N74 V82 | N74-T84 CarbonylContact O-C 3.58Å; N74-T84 WeakPolarHBondContact O-CA 3.43Å; V82-T84 HydrophobicContact CG1-CG2 4.2Å |
| 85 | A | 96.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 76.2 Ų | 76.2 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | N74 F104 | N74-A85 PolarHBondContact N-O 2.79Å; N74-A85 PolarHBondContact O-N 2.83Å; A85-F104 HydrophobicContact CB-CD1 4.13Å; A85-F104 HydrophobicContact CB-CE1 4.34Å |
| 86 | E | 97.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 79 Ų | 79 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.3 | 174.3 | -175.5 | 169 | 148.1 | 0 | 0 | 110.4 | R65 R71 V72 L73 | R65-E86 IonicContact NH2-OE1 3.6Å; R65-E86 PolarHBondContact NH2-OE1 3.09Å; R71-E86 VanDerWaalsContact CD-OE1 3.32Å; R71-E86 WeakPolarHBondContact CD-OE1 3.44Å; R71-E86 HydrophobicContact CG-CG 4.08Å; R71-E86 IonicContact NH1-OE2 3.51Å; V72-E86 CarbonylContact O-C 3.58Å; V72-E86 WeakPolarHBondContact O-CA 3.29Å; L73-E86 HydrophobicContact CD1-CB 4.17Å |
| 87 | G | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | -173.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R65 V72 S103 | R65-G87 PolarHBondContact NH2-O 3.32Å; V72-G87 PolarHBondContact N-O 2.91Å; V72-G87 PolarHBondContact O-N 2.92Å; G87-S103 CarbonylContact C-O 3.5Å; G87-S103 WeakPolarHBondContact CA-O 3.32Å |
| 88 | T | 97.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.2 | 179.9 | -62.6 | 0 | 0 | 0 | 0 | 109 | R65 T69 I70 V90 V102 S103 | R65-T88 PolarHBondContact NH1-OG1 3.35Å; T69-T88 HydrophobicContact CG2-CG2 4.2Å; I70-T88 CarbonylContact O-C 3.53Å; I70-T88 WeakPolarHBondContact O-CA 3.3Å; T88-V90 HydrophobicContact CG2-CG1 4.28Å; T88-V102 CarbonylContact O-C 3.58Å; T88-V102 WeakPolarHBondContact O-CA 3.42Å; T88-S103 PolarHBondContact N-O 2.83Å; T88-S103 PolarHBondContact O-N 2.91Å |
| 89 | A | 97.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.033 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | I70 V72 G101 V102 | I70-A89 HydrophobicContact CB-CB 4.1Å; I70-A89 PolarHBondContact N-O 3.4Å; I70-A89 PolarHBondContact O-N 3.07Å; V72-A89 HydrophobicContact CG2-CB 3.72Å; A89-G101 CarbonylContact C-O 3.54Å; A89-G101 WeakPolarHBondContact CA-O 3.44Å; A89-V102 HydrophobicContact CB-CB 4.39Å; A89-V102 HydrophobicContact CB-CG2 4.32Å |
| 90 | V | 96.9 | Very high | 95.2 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.3 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | T69 T88 P92 L100 G101 Y110 | T69-V90 HydrophobicContact CG2-CG1 4.04Å; T88-V90 HydrophobicContact CG2-CG1 4.28Å; V90-P92 HydrophobicContact CG2-CG 4.46Å; V90-P92 WeakPolarHBondContact O-CD 3.45Å; V90-L100 CarbonylContact O-C 3.59Å; V90-L100 VanDerWaalsContact O-CA 3.3Å; V90-L100 WeakPolarHBondContact O-CA 3.25Å; V90-L100 WeakPolarHBondContact O-CB 3.5Å; V90-G101 PolarHBondContact N-O 3.08Å; V90-G101 PolarHBondContact O-N 3.43Å; V90-Y110 HydrophobicContact CG1-CE1 3.93Å; V90-Y110 HydrophobicContact CG2-CD1 3.89Å; V90-Y110 HydrophobicContact CG2-CD2 4.5Å; V90-Y110 HydrophobicContact CG2-CE1 3.83Å; V90-Y110 HydrophobicContact CG2-CE2 4.45Å; V90-Y110 HydrophobicContact CG2-CG 4.23Å |
| 91 | V | 96.2 | Very high | 95.7 | Very high | 42 Ų | 42 | 64.4 Ų | 64.4 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | trans | -103.6 | 104.7 | 170.2 | 180 | 0 | 0 | 0 | 0 | 107.8 | V35 D93 M97 L100 | V35-V91 HydrophobicContact CG2-CG2 4.21Å; V91-D93 WeakPolarHBondContact CG1-O 3.26Å; V91-M97 HydrophobicContact CG1-CE 4.32Å; V91-M97 HydrophobicContact CG1-SD 3.79Å; V91-M97 HydrophobicContact CG2-CE 4.31Å; V91-L100 HydrophobicContact CG2-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CG 4.33Å | ||
| 92 | P | 93.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 57.5 Ų | 57.5 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -71.5 | -35.2 | -175.5 | -19 | 33.4 | 0 | 0 | 0 | 113.8 | V90 K99 | V90-P92 HydrophobicContact CG2-CG 4.46Å; V90-P92 WeakPolarHBondContact O-CD 3.45Å; P92-K99 WeakPolarHBondContact CD-O 3.44Å |
| 93 | D | 93.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | trans | -127.9 | 118.2 | 176.4 | -171.2 | -19.1 | 0 | 0 | 0 | 109.3 | V91 R95 E96 | V91-D93 WeakPolarHBondContact CG1-O 3.26Å; D93-R95 PolarHBondContact O-N 3.11Å; D93-R95 VanDerWaalsContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CB 3.06Å; D93-R95 WeakPolarHBondContact OD1-CG 3.44Å; D93-R95 IonicContact OD1-CZ 3.97Å; D93-R95 PolarHBondContact OD1-N 2.53Å; D93-R95 IonicContact OD1-NE 3.12Å; D93-R95 PolarHBondContact OD1-NE 2.95Å; D93-R95 VanDerWaalsContact OD1-NE 3.12Å; D93-R95 IonicContact OD1-NH2 3.88Å; D93-R95 IonicContact OD2-CZ 3.46Å; D93-R95 IonicContact OD2-NE 3.29Å; D93-R95 PolarHBondContact OD2-NE 3.29Å; D93-R95 IonicContact OD2-NH2 2.79Å; D93-R95 PolarHBondContact OD2-NH2 2.7Å; D93-E96 CarbonylContact O-C 3.55Å; D93-E96 PolarHBondContact O-N 2.93Å | ||
| 94 | T | 91.3 | Very high | 95.8 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 68% | 0.681 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13 | -179.3 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | M97 | T94-M97 WeakPolarHBondContact O-CG 3.49Å; T94-M97 VanDerWaalsContact O-SD 3.33Å |
| 95 | R | 92.8 | Very high | 95.5 | Very high | 211 Ų | 211 | 52.7 Ų | 52.7 | 80% | 0.796 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20.5 | 172.6 | -59.7 | 173.4 | -65.5 | 174.6 | 4.7 | 112.3 | D93 | D93-R95 PolarHBondContact O-N 3.11Å; D93-R95 VanDerWaalsContact OD1-CB 3.29Å; D93-R95 WeakPolarHBondContact OD1-CB 3.06Å; D93-R95 WeakPolarHBondContact OD1-CG 3.44Å; D93-R95 IonicContact OD1-CZ 3.97Å; D93-R95 PolarHBondContact OD1-N 2.53Å; D93-R95 IonicContact OD1-NE 3.12Å; D93-R95 PolarHBondContact OD1-NE 2.95Å; D93-R95 VanDerWaalsContact OD1-NE 3.12Å; D93-R95 IonicContact OD1-NH2 3.88Å; D93-R95 IonicContact OD2-CZ 3.46Å; D93-R95 IonicContact OD2-NE 3.29Å; D93-R95 PolarHBondContact OD2-NE 3.29Å; D93-R95 IonicContact OD2-NH2 2.79Å; D93-R95 PolarHBondContact OD2-NH2 2.7Å |
| 96 | E | 93.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -123.7 | 59 | 179.1 | -63.1 | -164 | 130.3 | 0 | 0 | 110.4 | D93 A98 K99 | D93-E96 CarbonylContact O-C 3.55Å; D93-E96 PolarHBondContact O-N 2.93Å; E96-A98 PolarHBondContact O-N 2.78Å; E96-K99 HydrophobicContact CB-CB 4.37Å; E96-K99 HydrophobicContact CB-CD 4.32Å; E96-K99 HydrophobicContact CB-CG 4.38Å; E96-K99 PolarHBondContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 2.81Å; E96-K99 PolarHBondContact OE1-NZ 2.86Å; E96-K99 VanDerWaalsContact OE2-CD 3.24Å; E96-K99 WeakPolarHBondContact OE2-CD 3.3Å; E96-K99 WeakPolarHBondContact OE2-CE 3.18Å; E96-K99 IonicContact OE2-NZ 2.76Å; E96-K99 PolarHBondContact OE2-NZ 2.86Å |
| 97 | M | 96.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -27.8 | -174.5 | -64.4 | -64.5 | -65.4 | 0 | 0 | 114.7 | F33 V35 V91 T94 K99 | F33-M97 HydrophobicContact CB-CB 4.22Å; F33-M97 HydrophobicContact CD1-CB 4.27Å; F33-M97 VanDerWaalsContact CD1-O 3.3Å; F33-M97 WeakPolarHBondContact CD1-O 3.38Å; V35-M97 HydrophobicContact CG2-CE 3.87Å; V91-M97 HydrophobicContact CG1-CE 4.32Å; V91-M97 HydrophobicContact CG1-SD 3.79Å; V91-M97 HydrophobicContact CG2-CE 4.31Å; T94-M97 WeakPolarHBondContact O-CG 3.49Å; T94-M97 VanDerWaalsContact O-SD 3.33Å; M97-K99 VanDerWaalsContact C-N 3.32Å |
| 98 | A | 97.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V29 Q30 F33 E96 W114 V115 | V29-A98 HydrophobicContact CB-CB 3.77Å; V29-A98 HydrophobicContact CG2-CB 3.91Å; Q30-A98 HydrophobicContact CB-CB 4.22Å; Q30-A98 WeakPolarHBondContact O-CB 3.49Å; F33-A98 HydrophobicContact CB-CB 3.71Å; F33-A98 HydrophobicContact CD1-CB 4.43Å; F33-A98 HydrophobicContact CG-CB 4.04Å; E96-A98 PolarHBondContact O-N 2.78Å; A98-W114 WeakPolarHBondContact O-CA 3.26Å; A98-V115 HydrophobicContact CB-CB 4.44Å; A98-V115 PolarHBondContact O-N 2.86Å |
| 99 | K | 97.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 21% | 0.213 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 84.3 | 176.9 | -66.7 | -170.8 | -167.3 | 160.5 | 0 | 109.7 | V29 P92 E96 M97 W114 | V29-K99 HydrophobicContact CG1-CG 3.99Å; V29-K99 HydrophobicContact CG2-CG 4.29Å; P92-K99 WeakPolarHBondContact CD-O 3.44Å; E96-K99 HydrophobicContact CB-CB 4.37Å; E96-K99 HydrophobicContact CB-CD 4.32Å; E96-K99 HydrophobicContact CB-CG 4.38Å; E96-K99 PolarHBondContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 2.81Å; E96-K99 PolarHBondContact OE1-NZ 2.86Å; E96-K99 VanDerWaalsContact OE2-CD 3.24Å; E96-K99 WeakPolarHBondContact OE2-CD 3.3Å; E96-K99 WeakPolarHBondContact OE2-CE 3.18Å; E96-K99 IonicContact OE2-NZ 2.76Å; E96-K99 PolarHBondContact OE2-NZ 2.86Å; M97-K99 VanDerWaalsContact C-N 3.32Å; K99-W114 HydrophobicContact CB-CG 4.35Å; K99-W114 HydrophobicContact CD-CD2 4.16Å; K99-W114 HydrophobicContact CD-CZ2 4.05Å; K99-W114 HydrophobicContact CG-CD2 4.02Å; K99-W114 HydrophobicContact CG-CG 3.92Å |
| 100 | L | 97.9 | Very high | 93 | Very high | 10 Ų | 10 | 78.4 Ų | 78.4 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 162.2 | 176.9 | -57.3 | 96.9 | 0 | 0 | 0 | 110.6 | F33 I70 V90 V91 Y113 V115 | F33-L100 HydrophobicContact CE1-CD1 4.03Å; I70-L100 HydrophobicContact CD1-CD2 3.65Å; V90-L100 CarbonylContact O-C 3.59Å; V90-L100 VanDerWaalsContact O-CA 3.3Å; V90-L100 WeakPolarHBondContact O-CA 3.25Å; V90-L100 WeakPolarHBondContact O-CB 3.5Å; V91-L100 HydrophobicContact CG2-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CG 4.33Å; L100-Y113 WeakPolarHBondContact CA-O 3.13Å; L100-Y113 HydrophobicContact CB-CD1 4.27Å; L100-Y113 WeakPolarHBondContact CB-O 3.2Å; L100-Y113 HydrophobicContact CD1-CD1 4.07Å; L100-Y113 PolarHBondContact N-O 2.94Å; L100-Y113 PolarHBondContact O-N 3.43Å; L100-V115 HydrophobicContact CD1-CG2 4.04Å |
| 101 | G | 97.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 79.5 Ų | 79.5 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A89 V90 Y110 S111 | A89-G101 CarbonylContact C-O 3.54Å; A89-G101 WeakPolarHBondContact CA-O 3.44Å; V90-G101 PolarHBondContact N-O 3.08Å; V90-G101 PolarHBondContact O-N 3.43Å; G101-Y110 WeakPolarHBondContact O-CD1 3.46Å; G101-S111 CarbonylContact C-O 3.52Å; G101-S111 WeakPolarHBondContact CA-O 3.34Å |
| 102 | V | 97.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 79.1 Ų | 79.1 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.9 | 178.3 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | V72 T88 A89 F104 Y110 S111 Y113 | V72-V102 HydrophobicContact CG2-CG2 4.13Å; T88-V102 CarbonylContact O-C 3.58Å; T88-V102 WeakPolarHBondContact O-CA 3.42Å; A89-V102 HydrophobicContact CB-CB 4.39Å; A89-V102 HydrophobicContact CB-CG2 4.32Å; V102-F104 HydrophobicContact CG1-CE2 4.49Å; V102-F104 HydrophobicContact CG2-CD2 4.38Å; V102-F104 HydrophobicContact CG2-CE2 3.71Å; V102-F104 HydrophobicContact CG2-CZ 4.14Å; V102-Y110 CarbonylContact O-C 3.55Å; V102-Y110 WeakPolarHBondContact O-CA 3.22Å; V102-S111 PolarHBondContact N-O 3.44Å; V102-S111 PolarHBondContact O-N 3.08Å; V102-Y113 HydrophobicContact CG1-CD2 4.26Å |
| 103 | S | 95.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.8 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | G87 T88 S105 T108 | G87-S103 CarbonylContact C-O 3.5Å; G87-S103 WeakPolarHBondContact CA-O 3.32Å; T88-S103 PolarHBondContact N-O 2.83Å; T88-S103 PolarHBondContact O-N 2.91Å; S103-S105 PolarHBondContact OG-N 2.87Å; S103-S105 PolarHBondContact OG-O 2.8Å; S103-T108 PolarHBondContact OG-O 3.3Å; S103-T108 PolarHBondContact OG-OG1 3.26Å; S103-T108 VanDerWaalsContact OG-OG1 3.13Å |
| 104 | F | 93 | Very high | 93.4 | Very high | 95 Ų | 95 | 75.8 Ų | 75.8 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -107.8 | 8.2 | 174.7 | -68.4 | -91.3 | 0 | 0 | 0 | 112.3 | V72 N74 A85 V102 | V72-F104 HydrophobicContact CB-CZ 4.47Å; V72-F104 HydrophobicContact CG1-CE1 4.37Å; V72-F104 HydrophobicContact CG1-CZ 3.99Å; N74-F104 WeakPolarHBondContact ND2-CE1 3.14Å; N74-F104 WeakPolarHBondContact ND2-CZ 3.48Å; A85-F104 HydrophobicContact CB-CD1 4.13Å; A85-F104 HydrophobicContact CB-CE1 4.34Å; V102-F104 HydrophobicContact CG1-CE2 4.49Å; V102-F104 HydrophobicContact CG2-CD2 4.38Å; V102-F104 HydrophobicContact CG2-CE2 3.71Å; V102-F104 HydrophobicContact CG2-CZ 4.14Å |
| 105 | S | 89.7 | Confident | 93.7 | Very high | 50 Ų | 50 | 70.5 Ų | 70.5 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -148.2 | 143.9 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | S103 F107 T108 | S103-S105 PolarHBondContact OG-N 2.87Å; S103-S105 PolarHBondContact OG-O 2.8Å; S105-F107 PolarHBondContact O-N 2.91Å; S105-F107 PolarHBondContact OG-N 2.83Å; S105-T108 WeakPolarHBondContact CB-OG1 3.34Å; S105-T108 PolarHBondContact O-OG1 3.41Å |
| 106 | Y | 81.7 | Confident | 94 | Very high | 217 Ų | 217 | 60.9 Ų | 60.9 | 85% | 0.851 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.8 | 176.7 | -67.4 | -76.6 | 0 | 0 | 0 | 113.4 | ||
| 107 | F | 84.3 | Confident | 94.2 | Very high | 194 Ų | 194 | 58 Ų | 58 | 85% | 0.851 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4.5 | -175.1 | -54 | -72.4 | 0 | 0 | 0 | 113.6 | S105 | S105-F107 PolarHBondContact O-N 2.91Å; S105-F107 PolarHBondContact OG-N 2.83Å |
| 108 | T | 82.9 | Confident | 94.3 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.1 | 143.3 | -178.9 | 55 | 0 | 0 | 0 | 0 | 110.9 | S103 S105 | S103-T108 PolarHBondContact OG-O 3.3Å; S103-T108 PolarHBondContact OG-OG1 3.26Å; S103-T108 VanDerWaalsContact OG-OG1 3.13Å; S105-T108 WeakPolarHBondContact CB-OG1 3.34Å; S105-T108 PolarHBondContact O-OG1 3.41Å |
| 109 | P | 89.8 | Confident | 94.3 | Very high | 112 Ų | 112 | 58.6 Ų | 58.6 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 154.8 | 173.2 | 28.2 | -34.7 | 0 | 0 | 0 | 110.8 | S111 | P109-S111 PolarHBondContact O-N 3.3Š|
| 110 | Y | 93.9 | Very high | 94.4 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 128.6 | 173.2 | -69.5 | -89.2 | 0 | 0 | 0 | 110.2 | V90 G101 V102 | V90-Y110 HydrophobicContact CG1-CE1 3.93Å; V90-Y110 HydrophobicContact CG2-CD1 3.89Å; V90-Y110 HydrophobicContact CG2-CD2 4.5Å; V90-Y110 HydrophobicContact CG2-CE1 3.83Å; V90-Y110 HydrophobicContact CG2-CE2 4.45Å; V90-Y110 HydrophobicContact CG2-CG 4.23Å; G101-Y110 WeakPolarHBondContact O-CD1 3.46Å; V102-Y110 CarbonylContact O-C 3.55Å; V102-Y110 WeakPolarHBondContact O-CA 3.22Å |
| 111 | S | 94.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 143.2 | 171.5 | -61.5 | 0 | 0 | 0 | 0 | 110 | G101 V102 P109 Y113 | G101-S111 CarbonylContact C-O 3.52Å; G101-S111 WeakPolarHBondContact CA-O 3.34Å; V102-S111 PolarHBondContact N-O 3.44Å; V102-S111 PolarHBondContact O-N 3.08Å; P109-S111 PolarHBondContact O-N 3.3Å; S111-Y113 PolarHBondContact O-N 3.27Å |
| 112 | P | 96.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 138.2 | 175.9 | -28.1 | 38.1 | 0 | 0 | 0 | 112.1 | S128 | P112-S128 WeakPolarHBondContact O-CB 3.49Å; P112-S128 PolarHBondContact O-OG 3.13Å |
| 113 | Y | 97.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 92.3 | 172.8 | -175.1 | -77.2 | 0 | 0 | 0 | 107.3 | Y38 Y62 L100 V102 S111 V115 V126 | Y38-Y113 PolarHBondContact OH-OH 2.86Å; Y62-Y113 PolarHBondContact OH-OH 3.38Å; L100-Y113 WeakPolarHBondContact CA-O 3.13Å; L100-Y113 HydrophobicContact CB-CD1 4.27Å; L100-Y113 WeakPolarHBondContact CB-O 3.2Å; L100-Y113 HydrophobicContact CD1-CD1 4.07Å; L100-Y113 PolarHBondContact N-O 2.94Å; L100-Y113 PolarHBondContact O-N 3.43Å; V102-Y113 HydrophobicContact CG1-CD2 4.26Å; S111-Y113 PolarHBondContact O-N 3.27Å; Y113-V115 HydrophobicContact CD1-CG2 4.4Å; Y113-V115 HydrophobicContact CE1-CG2 4Å; Y113-V126 HydrophobicContact CD1-CG1 3.98Å; Y113-V126 HydrophobicContact CD2-CG1 3.85Å; Y113-V126 HydrophobicContact CE1-CG1 3.71Å; Y113-V126 HydrophobicContact CE1-CG2 3.98Å; Y113-V126 HydrophobicContact CE2-CG1 3.6Å; Y113-V126 HydrophobicContact CG-CG1 4.04Å; Y113-V126 WeakPolarHBondContact OH-CG2 3.38Å |
| 114 | W | 98.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.6 | -172.8 | -63.9 | 1.2 | 0 | 0 | 0 | 110 | P27 V29 A98 K99 L116 V126 Y127 | P27-W114 HydrophobicContact CG-CE3 4.13Å; P27-W114 HydrophobicContact CG-CZ3 4.36Å; V29-W114 HydrophobicContact CG1-CB 4.07Å; V29-W114 HydrophobicContact CG1-CE3 4.35Å; V29-W114 HydrophobicContact CG1-CG 4.47Å; A98-W114 WeakPolarHBondContact O-CA 3.26Å; K99-W114 HydrophobicContact CB-CG 4.35Å; K99-W114 HydrophobicContact CD-CD2 4.16Å; K99-W114 HydrophobicContact CD-CZ2 4.05Å; K99-W114 HydrophobicContact CG-CD2 4.02Å; K99-W114 HydrophobicContact CG-CG 3.92Å; W114-L116 HydrophobicContact CB-CD2 4.31Å; W114-L116 PolarHBondContact O-N 2.86Å; W114-V126 CarbonylContact O-C 3.46Å; W114-V126 VanDerWaalsContact O-CA 3.29Å; W114-V126 WeakPolarHBondContact O-CA 3.4Å; W114-Y127 WeakPolarHBondContact CB-O 3.45Å; W114-Y127 PolarHBondContact N-O 3.3Å; W114-Y127 PolarHBondContact O-N 3.31Å |
| 115 | V | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 104.8 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 108 | Q30 F33 Y38 A98 L100 Y113 T118 | Q30-V115 HydrophobicContact CB-CG1 4.28Å; Q30-V115 PolarHBondContact N-O 3.03Å; F33-V115 HydrophobicContact CD2-CB 4.37Å; F33-V115 HydrophobicContact CD2-CG1 4.21Å; F33-V115 HydrophobicContact CE2-CB 4.06Å; F33-V115 HydrophobicContact CE2-CG1 3.84Å; F33-V115 HydrophobicContact CE2-CG2 3.94Å; F33-V115 HydrophobicContact CZ-CB 4.42Å; F33-V115 HydrophobicContact CZ-CG2 3.86Å; Y38-V115 HydrophobicContact CE2-CG1 4.22Å; Y38-V115 HydrophobicContact CE2-CG2 4.3Å; A98-V115 HydrophobicContact CB-CB 4.44Å; A98-V115 PolarHBondContact O-N 2.86Å; L100-V115 HydrophobicContact CD1-CG2 4.04Å; Y113-V115 HydrophobicContact CD1-CG2 4.4Å; Y113-V115 HydrophobicContact CE1-CG2 4Å; V115-T118 HydrophobicContact CG1-CG2 3.92Å |
| 116 | L | 98.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -43 | -179.2 | -54.5 | -164.9 | 0 | 0 | 0 | 111.2 | P27 V29 Q30 W114 V125 L161 L162 I167 | P27-L116 HydrophobicContact CB-CD1 4.18Å; P27-L116 HydrophobicContact CB-CD2 3.88Å; P27-L116 HydrophobicContact CG-CD1 4.46Å; P27-L116 HydrophobicContact CG-CD2 3.64Å; V29-L116 CarbonylContact C-O 3.36Å; V29-L116 HydrophobicContact CG1-CD2 4.28Å; Q30-L116 PolarHBondContact N-O 3.25Å; Q30-L116 VanDerWaalsContact N-O 3.11Å; W114-L116 HydrophobicContact CB-CD2 4.31Å; W114-L116 PolarHBondContact O-N 2.86Å; L116-V125 HydrophobicContact CB-CB 4.47Å; L116-V125 HydrophobicContact CB-CG1 4.45Å; L116-V125 HydrophobicContact CD1-CG1 4.35Å; L116-V125 PolarHBondContact N-O 3.27Å; L116-L161 HydrophobicContact CB-CD2 4.39Å; L116-L162 HydrophobicContact CD1-CD2 4.05Å; L116-I167 HydrophobicContact CD1-CD1 3.9Å |
| 117 | T | 98.6 | Very high | 96.1 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 149.2 | 174.6 | -167.1 | 0 | 0 | 0 | 0 | 110.8 | Q30 A124 V125 Y157 L161 | Q30-T117 PolarHBondContact OE1-OG1 3.16Å; T117-A124 WeakPolarHBondContact O-CA 3.2Å; T117-V125 HydrophobicContact CG2-CB 3.98Å; T117-V125 HydrophobicContact CG2-CG2 3.76Å; T117-V125 PolarHBondContact O-N 3.04Å; T117-Y157 HydrophobicContact CG2-CE1 4.08Å; T117-L161 HydrophobicContact CG2-CD2 3.31Å |
| 118 | T | 98.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 146 | 165.8 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | Q30 F33 Y38 V115 Y120 L123 | Q30-T118 HydrophobicContact CG-CG2 4.18Å; Q30-T118 PolarHBondContact OE1-O 3.26Å; F33-T118 HydrophobicContact CD2-CG2 4.04Å; F33-T118 HydrophobicContact CE2-CG2 3.84Å; Y38-T118 HydrophobicContact CD2-CG2 4.06Å; Y38-T118 HydrophobicContact CE2-CG2 4.26Å; V115-T118 HydrophobicContact CG1-CG2 3.92Å; T118-Y120 HydrophobicContact CG2-CD1 3.77Å; T118-Y120 HydrophobicContact CG2-CE1 3.6Å; T118-Y120 HydrophobicContact CG2-CE2 4.4Å; T118-Y120 HydrophobicContact CG2-CG 4.26Å; T118-Y120 WeakPolarHBondContact OG1-CA 3.11Å; T118-Y120 PolarHBondContact OG1-N 2.79Å; T118-L123 VanDerWaalsContact CA-O 3.22Å; T118-L123 WeakPolarHBondContact CA-O 3.37Å; T118-L123 WeakPolarHBondContact CB-O 3.46Å; T118-L123 PolarHBondContact OG1-O 3.08Å |
| 119 | D | 98.2 | Very high | 97.3 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | trans | -97.4 | 8.2 | 165.1 | 68.1 | -1.4 | 0 | 0 | 0 | 112.2 | T121 S122 L123 | D119-T121 PolarHBondContact O-N 2.77Å; D119-T121 PolarHBondContact O-OG1 2.91Å; D119-T121 PolarHBondContact OD1-N 3.2Å; D119-T121 VanDerWaalsContact OD1-N 3.14Å; D119-S122 PolarHBondContact OD1-N 2.81Å; D119-S122 PolarHBondContact OD1-OG 3.46Å; D119-S122 WeakPolarHBondContact OD2-CB 3.34Å; D119-S122 PolarHBondContact OD2-OG 2.88Å; D119-L123 PolarHBondContact N-O 3.32Å; D119-L123 PolarHBondContact OD1-N 2.87Å | ||
| 120 | Y | 98.6 | Very high | 97.4 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 63.8 | -19 | -177.8 | -50.1 | -80.9 | 0 | 0 | 0 | 116.2 | F33 D34 K37 Y38 T118 R146 | F33-Y120 WeakPolarHBondContact CA-OH 3.45Å; F33-Y120 AromaticContact CD2-CE1 3.93Å; F33-Y120 HydrophobicContact CD2-CE1 3.93Å; F33-Y120 AromaticContact CE2-CE1 3.98Å; F33-Y120 HydrophobicContact CE2-CE1 3.98Å; D34-Y120 HydrophobicContact CB-CE1 4.24Å; D34-Y120 PolarHBondContact N-OH 3.46Å; D34-Y120 VanDerWaalsContact N-OH 3.09Å; D34-Y120 WeakPolarHBondContact O-CE1 3.46Å; K37-Y120 HydrophobicContact CB-CD1 3.51Å; K37-Y120 HydrophobicContact CB-CD2 4.41Å; K37-Y120 HydrophobicContact CB-CE1 4.11Å; K37-Y120 HydrophobicContact CB-CG 3.68Å; K37-Y120 HydrophobicContact CD-CD2 4.38Å; K37-Y120 HydrophobicContact CD-CG 4.45Å; Y38-Y120 HydrophobicContact CD2-CD1 4.45Å; T118-Y120 HydrophobicContact CG2-CD1 3.77Å; T118-Y120 HydrophobicContact CG2-CE1 3.6Å; T118-Y120 HydrophobicContact CG2-CE2 4.4Å; T118-Y120 HydrophobicContact CG2-CG 4.26Å; T118-Y120 WeakPolarHBondContact OG1-CA 3.11Å; T118-Y120 PolarHBondContact OG1-N 2.79Å; Y120-R146 PolarHBondContact O-NE 2.7Å; Y120-R146 PolarHBondContact O-NH2 3.38Å; Y120-R146 VanDerWaalsContact O-NH2 3.14Å |
| 121 | T | 97.9 | Very high | 97.1 | Very high | 107 Ų | 107 | 30.3 Ų | 30.3 | 66% | 0.656 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -118.2 | -20.1 | -164.2 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | D119 R146 | D119-T121 PolarHBondContact O-N 2.77Å; D119-T121 PolarHBondContact O-OG1 2.91Å; D119-T121 PolarHBondContact OD1-N 3.2Å; D119-T121 VanDerWaalsContact OD1-N 3.14Å; T121-R146 VanDerWaalsContact C-CG 3.44Å; T121-R146 VanDerWaalsContact O-CB 3.3Å; T121-R146 WeakPolarHBondContact O-CB 3.38Å; T121-R146 WeakPolarHBondContact O-CG 3.42Å |
| 122 | S | 97.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -135.9 | -39.5 | -179.6 | 90.1 | 0 | 0 | 0 | 0 | 113.5 | D119 S145 R146 | D119-S122 PolarHBondContact OD1-N 2.81Å; D119-S122 PolarHBondContact OD1-OG 3.46Å; D119-S122 WeakPolarHBondContact OD2-CB 3.34Å; D119-S122 PolarHBondContact OD2-OG 2.88Å; S122-S145 WeakPolarHBondContact O-CA 3.22Å; S122-S145 WeakPolarHBondContact O-CB 3.48Å; S122-S145 PolarHBondContact O-OG 2.8Å; S122-R146 PolarHBondContact O-N 3.46Å |
| 123 | L | 98.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 141.7 | -170.2 | 175.4 | 64.7 | 0 | 0 | 0 | 111.6 | W42 T118 D119 V125 I143 L144 T154 Y157 A158 | W42-L123 VanDerWaalsContact CZ3-C 3.45Å; T118-L123 VanDerWaalsContact CA-O 3.22Å; T118-L123 WeakPolarHBondContact CA-O 3.37Å; T118-L123 WeakPolarHBondContact CB-O 3.46Å; T118-L123 PolarHBondContact OG1-O 3.08Å; D119-L123 PolarHBondContact N-O 3.32Å; D119-L123 PolarHBondContact OD1-N 2.87Å; L123-V125 HydrophobicContact CD1-CG2 4.18Å; L123-V125 HydrophobicContact CD2-CG2 4.39Å; L123-V125 HydrophobicContact CG-CG2 4.35Å; L123-I143 HydrophobicContact CD1-CG2 3.85Å; L123-L144 WeakPolarHBondContact CA-O 3.03Å; L123-T154 HydrophobicContact CB-CG2 3.77Å; L123-T154 HydrophobicContact CD1-CG2 4.03Å; L123-T154 HydrophobicContact CD2-CG2 3.84Å; L123-T154 HydrophobicContact CG-CG2 4.07Å; L123-Y157 HydrophobicContact CD2-CD1 3.58Å; L123-Y157 HydrophobicContact CD2-CE1 3.84Å; L123-A158 HydrophobicContact CD1-CB 4.07Å; L123-A158 HydrophobicContact CD2-CB 4.28Å |
| 124 | A | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y38 W42 T117 L144 | Y38-A124 HydrophobicContact CE2-CB 3.56Å; Y38-A124 WeakPolarHBondContact OH-CB 3.35Å; W42-A124 HydrophobicContact CE3-CB 4.22Å; W42-A124 HydrophobicContact CH2-CB 3.8Å; W42-A124 HydrophobicContact CZ2-CB 4.15Å; W42-A124 HydrophobicContact CZ3-CB 3.84Å; T117-A124 WeakPolarHBondContact O-CA 3.2Å; A124-L144 HydrophobicContact CB-CB 4.22Å; A124-L144 PolarHBondContact N-O 3.13Å; A124-L144 PolarHBondContact O-N 2.71Å |
| 125 | V | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.7 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 108 | L116 T117 L123 A158 L161 L162 | L116-V125 HydrophobicContact CB-CB 4.47Å; L116-V125 HydrophobicContact CB-CG1 4.45Å; L116-V125 HydrophobicContact CD1-CG1 4.35Å; L116-V125 PolarHBondContact N-O 3.27Å; T117-V125 HydrophobicContact CG2-CB 3.98Å; T117-V125 HydrophobicContact CG2-CG2 3.76Å; T117-V125 PolarHBondContact O-N 3.04Å; L123-V125 HydrophobicContact CD1-CG2 4.18Å; L123-V125 HydrophobicContact CD2-CG2 4.39Å; L123-V125 HydrophobicContact CG-CG2 4.35Å; V125-A158 HydrophobicContact CG2-CB 3.57Å; V125-L161 HydrophobicContact CB-CD2 4.34Å; V125-L161 HydrophobicContact CG1-CD2 4.49Å; V125-L161 HydrophobicContact CG2-CD2 4.31Å; V125-L162 HydrophobicContact CG1-CD1 4.27Å; V125-L162 HydrophobicContact CG1-CD2 3.65Å; V125-L162 HydrophobicContact CG1-CG 3.85Å |
| 126 | V | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.2 | -173.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | Y113 W114 A141 W142 L144 | Y113-V126 HydrophobicContact CD1-CG1 3.98Å; Y113-V126 HydrophobicContact CD2-CG1 3.85Å; Y113-V126 HydrophobicContact CE1-CG1 3.71Å; Y113-V126 HydrophobicContact CE1-CG2 3.98Å; Y113-V126 HydrophobicContact CE2-CG1 3.6Å; Y113-V126 HydrophobicContact CG-CG1 4.04Å; Y113-V126 WeakPolarHBondContact OH-CG2 3.38Å; W114-V126 CarbonylContact O-C 3.46Å; W114-V126 VanDerWaalsContact O-CA 3.29Å; W114-V126 WeakPolarHBondContact O-CA 3.4Å; V126-A141 CarbonylContact O-C 3.51Å; V126-A141 WeakPolarHBondContact O-CA 3.42Å; V126-W142 HydrophobicContact CB-CB 4.4Å; V126-W142 HydrophobicContact CB-CE3 4.25Å; V126-W142 HydrophobicContact CG1-CE3 3.93Å; V126-W142 HydrophobicContact CG1-CZ3 4.34Å; V126-W142 PolarHBondContact N-O 2.92Å; V126-W142 PolarHBondContact O-N 3.13Å; V126-L144 HydrophobicContact CG2-CD1 3.86Å; V126-L144 HydrophobicContact CG2-CG 4.45Å |
| 127 | Y | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.2 | 175.8 | -173.9 | -117.9 | 0 | 0 | 0 | 111.1 | P25 P27 W114 C129 E139 Y140 A141 I167 | P25-Y127 WeakPolarHBondContact CD-OH 3.14Å; P25-Y127 HydrophobicContact CG-CE1 3.75Å; P25-Y127 WeakPolarHBondContact CG-OH 3.36Å; P27-Y127 HydrophobicContact CG-CD1 3.82Å; P27-Y127 HydrophobicContact CG-CE1 4.3Å; W114-Y127 WeakPolarHBondContact CB-O 3.45Å; W114-Y127 PolarHBondContact N-O 3.3Å; W114-Y127 PolarHBondContact O-N 3.31Å; Y127-C129 HydrophobicContact CD1-CB 4.36Å; Y127-C129 HydrophobicContact CE1-CB 3.47Å; Y127-C129 VanDerWaalsContact CE1-CB 3.47Å; Y127-C129 WeakPolarHBondContact OH-CB 3.43Å; Y127-E139 HydrophobicContact CE2-CB 3.91Å; Y127-E139 VanDerWaalsContact CE2-OE2 3.31Å; Y127-E139 WeakPolarHBondContact CE2-OE2 3.3Å; Y127-E139 WeakPolarHBondContact OH-CB 3.36Å; Y127-E139 PolarHBondContact OH-OE2 3.44Å; Y127-Y140 WeakPolarHBondContact CA-O 3.35Å; Y127-Y140 WeakPolarHBondContact CD2-O 3.14Å; Y127-A141 HydrophobicContact CD2-CB 4.09Å; Y127-I167 HydrophobicContact CD1-CD1 4.22Å; Y127-I167 HydrophobicContact CD2-CD1 3.48Å; Y127-I167 VanDerWaalsContact CD2-CD1 3.48Å; Y127-I167 HydrophobicContact CD2-CG1 4.02Å; Y127-I167 HydrophobicContact CD2-CG2 4.29Å; Y127-I167 HydrophobicContact CE1-CD1 4.39Å; Y127-I167 HydrophobicContact CE2-CB 4.42Å; Y127-I167 HydrophobicContact CE2-CD1 3.7Å; Y127-I167 HydrophobicContact CE2-CG1 3.67Å; Y127-I167 HydrophobicContact CE2-CG2 3.86Å; Y127-I167 HydrophobicContact CG-CD1 3.76Å |
| 128 | S | 96.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 129.8 | 174 | -178 | 0 | 0 | 0 | 0 | 107.7 | P112 E139 Y140 | P112-S128 WeakPolarHBondContact O-CB 3.49Å; P112-S128 PolarHBondContact O-OG 3.13Å; S128-E139 CarbonylContact O-C 3.48Å; S128-E139 VanDerWaalsContact O-CA 3.26Å; S128-E139 WeakPolarHBondContact O-CA 3.13Å; S128-Y140 PolarHBondContact N-O 2.82Å; S128-Y140 PolarHBondContact O-N 2.89Å |
| 129 | C | 95.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 134.5 | 175.9 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | C24 Y127 V138 E139 | C24-C129 WeakPolarHBondContact CA-SG 3.1Å; C24-C129 HydrophobicContact CB-CB 3.75Å; C24-C129 WeakPolarHBondContact CB-SG 3.38Å; C24-C129 WeakPolarHBondContact SG-CB 3.28Å; C24-C129 CovalentContact SG-SG 2.03Å; C24-C129 PolarHBondContact SG-SG 3.32Å; Y127-C129 HydrophobicContact CD1-CB 4.36Å; Y127-C129 HydrophobicContact CE1-CB 3.47Å; Y127-C129 VanDerWaalsContact CE1-CB 3.47Å; Y127-C129 WeakPolarHBondContact OH-CB 3.43Å; C129-V138 WeakPolarHBondContact CA-O 3.31Å; C129-E139 HydrophobicContact CB-CB 4.21Å |
| 130 | T | 92 | Very high | 91.5 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.9 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | C24 R137 V138 | C24-T130 PolarHBondContact SG-N 3.42Å; T130-R137 WeakPolarHBondContact O-CA 3.2Å; T130-V138 PolarHBondContact N-O 3.43Å; T130-V138 PolarHBondContact O-N 2.92Å |
| 131 | D | 88.3 | Confident | 91.4 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 135.2 | 172.3 | -72.1 | -50.9 | 0 | 0 | 0 | 111 | P23 C24 | P23-D131 VanDerWaalsContact CA-OD1 3.27Å; P23-D131 WeakPolarHBondContact CA-OD1 3.32Å; C24-D131 PolarHBondContact N-OD1 2.95Å; C24-D131 PolarHBondContact SG-OD1 3.44Å |
| 132 | V | 83.1 | Confident | 91.5 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 38% | 0.376 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 106.3 | 172.8 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | R134 L135 F136 V138 | V132-R134 PolarHBondContact O-N 2.69Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.14Å; V132-F136 WeakPolarHBondContact CA-O 3.43Å; V132-F136 HydrophobicContact CB-CB 4.44Å; V132-F136 PolarHBondContact N-O 3.14Å; V132-F136 PolarHBondContact O-N 3.26Å; V132-V138 HydrophobicContact CG2-CG2 4.14Å |
| 133 | L | 79.5 | Confident | 91.5 | Very high | 150 Ų | 150 | 41.2 Ų | 41.2 | 79% | 0.785 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 20.9 | -179.8 | -55.9 | 174.9 | 0 | 0 | 0 | 114.3 | L135 | L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 PolarHBondContact O-N 3.14Å |
| 134 | R | 72.5 | Confident | 91.5 | Very high | 213 Ų | 213 | 41 Ų | 41 | 80% | 0.804 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 12.6 | -172.8 | -58.4 | -175 | 173.8 | -178.2 | -1.4 | 115 | V132 | V132-R134 PolarHBondContact O-N 2.69Š|
| 135 | L | 76.6 | Confident | 91.5 | Very high | 95 Ų | 95 | 41.2 Ų | 41.2 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -39 | 179.8 | -72.1 | 167.9 | 0 | 0 | 0 | 110.7 | G22 V132 L133 | G22-L135 PolarHBondContact N-O 3.26Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.14Å; L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 PolarHBondContact O-N 3.14Å |
| 136 | F | 83.2 | Confident | 91.5 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.6 | 179.5 | -50.8 | -78.4 | 0 | 0 | 0 | 109.3 | H20 W21 V132 | H20-F136 WeakPolarHBondContact O-CA 3.42Å; W21-F136 HydrophobicContact CD2-CD1 4.26Å; W21-F136 AromaticContact CD2-CE1 3.84Å; W21-F136 HydrophobicContact CD2-CE1 3.84Å; W21-F136 AromaticContact CE2-CE1 3.81Å; W21-F136 HydrophobicContact CE3-CD1 4.22Å; W21-F136 AromaticContact CE3-CE1 3.67Å; W21-F136 HydrophobicContact CE3-CE1 3.67Å; W21-F136 HydrophobicContact CE3-CZ 4.31Å; W21-F136 AromaticContact CH2-CE1 3.53Å; W21-F136 HydrophobicContact CH2-CE1 3.53Å; W21-F136 AromaticContact CH2-CZ 3.73Å; W21-F136 HydrophobicContact CH2-CZ 3.73Å; W21-F136 AromaticContact CZ2-CE1 3.68Å; W21-F136 HydrophobicContact CZ2-CE1 3.68Å; W21-F136 HydrophobicContact CZ2-CZ 4.27Å; W21-F136 HydrophobicContact CZ3-CD1 4.46Å; W21-F136 AromaticContact CZ3-CE1 3.52Å; W21-F136 HydrophobicContact CZ3-CE1 3.52Å; W21-F136 AromaticContact CZ3-CZ 3.74Å; W21-F136 HydrophobicContact CZ3-CZ 3.74Å; V132-F136 WeakPolarHBondContact CA-O 3.43Å; V132-F136 HydrophobicContact CB-CB 4.44Å; V132-F136 PolarHBondContact N-O 3.14Å; V132-F136 PolarHBondContact O-N 3.26Å |
| 137 | R | 87.1 | Confident | 91.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.1 | 168.5 | 67.7 | -172.9 | -169.7 | -160.9 | 6.4 | 110.5 | H20 P23 T130 E139 | H20-R137 HydrophobicContact CB-CG 3.75Å; H20-R137 PolarHBondContact N-O 3.18Å; H20-R137 PolarHBondContact O-N 3.14Å; P23-R137 WeakPolarHBondContact O-CD 3.39Å; P23-R137 PolarHBondContact O-NH1 2.99Å; T130-R137 WeakPolarHBondContact O-CA 3.2Å; R137-E139 IonicContact CZ-OE1 3.65Å; R137-E139 VanDerWaalsContact CZ-OE1 3.29Å; R137-E139 IonicContact NE-OE1 3.27Å; R137-E139 PolarHBondContact NE-OE1 2.88Å; R137-E139 IonicContact NH2-OE1 3.6Å; R137-E139 PolarHBondContact NH2-OE1 2.82Å; R137-E139 IonicContact NH2-OE2 3.29Å |
| 138 | V | 89.4 | Confident | 91.3 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.6 | 167.1 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | F19 C129 T130 V132 Y140 | F19-V138 HydrophobicContact CD1-CG2 4.5Å; F19-V138 HydrophobicContact CE1-CG2 4.16Å; C129-V138 WeakPolarHBondContact CA-O 3.31Å; T130-V138 PolarHBondContact N-O 3.43Å; T130-V138 PolarHBondContact O-N 2.92Å; V132-V138 HydrophobicContact CG2-CG2 4.14Å; V138-Y140 HydrophobicContact CG1-CE1 4.46Å; V138-Y140 HydrophobicContact CG1-CE2 3.8Å; V138-Y140 WeakPolarHBondContact CG1-OH 3.49Å |
| 139 | E | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.6 | -177.4 | 66 | -175.3 | 119.9 | 0 | 0 | 112.5 | T18 H20 L48 Y127 S128 C129 R137 | T18-E139 PolarHBondContact OG1-O 3.12Å; H20-E139 IonicContact CD2-OE1 3.93Å; H20-E139 PolarHBondContact CD2-OE1 3.36Å; H20-E139 IonicContact CE1-OE1 4Å; H20-E139 IonicContact CG-OE1 2.8Å; H20-E139 IonicContact ND1-OE1 3.86Å; H20-E139 IonicContact NE2-OE1 3.68Å; L48-E139 HydrophobicContact CD1-CG 4.28Å; Y127-E139 HydrophobicContact CE2-CB 3.91Å; Y127-E139 VanDerWaalsContact CE2-OE2 3.31Å; Y127-E139 WeakPolarHBondContact CE2-OE2 3.3Å; Y127-E139 WeakPolarHBondContact OH-CB 3.36Å; Y127-E139 PolarHBondContact OH-OE2 3.44Å; S128-E139 CarbonylContact O-C 3.48Å; S128-E139 VanDerWaalsContact O-CA 3.26Å; S128-E139 WeakPolarHBondContact O-CA 3.13Å; C129-E139 HydrophobicContact CB-CB 4.21Å; R137-E139 IonicContact CZ-OE1 3.65Å; R137-E139 VanDerWaalsContact CZ-OE1 3.29Å; R137-E139 IonicContact NE-OE1 3.27Å; R137-E139 PolarHBondContact NE-OE1 2.88Å; R137-E139 IonicContact NH2-OE1 3.6Å; R137-E139 PolarHBondContact NH2-OE1 2.82Å; R137-E139 IonicContact NH2-OE2 3.29Å |
| 140 | Y | 96.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 56.2 Ų | 56.2 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.4 | 175.3 | -52.1 | -75.1 | 0 | 0 | 0 | 108.4 | Q17 N50 F52 Y127 S128 V138 W142 | Q17-Y140 PolarHBondContact NE2-OH 3.29Å; N50-Y140 HydrophobicContact CB-CD1 3.68Å; N50-Y140 HydrophobicContact CB-CE1 3.42Å; N50-Y140 VanDerWaalsContact CB-CE1 3.42Å; F52-Y140 HydrophobicContact CE1-CE1 4.27Å; Y127-Y140 WeakPolarHBondContact CA-O 3.35Å; Y127-Y140 WeakPolarHBondContact CD2-O 3.14Å; S128-Y140 PolarHBondContact N-O 2.82Å; S128-Y140 PolarHBondContact O-N 2.89Å; V138-Y140 HydrophobicContact CG1-CE1 4.46Å; V138-Y140 HydrophobicContact CG1-CE2 3.8Å; V138-Y140 WeakPolarHBondContact CG1-OH 3.49Å; Y140-W142 HydrophobicContact CD2-CH2 4.29Å; Y140-W142 AromaticContact CG-CH2 3.9Å; Y140-W142 HydrophobicContact CG-CH2 3.9Å; Y140-W142 HydrophobicContact CG-CZ2 4.3Å |
| 141 | A | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R47 L48 V126 Y127 L162 I167 M172 | R47-A141 CarbonylContact C-O 3.54Å; R47-A141 WeakPolarHBondContact CA-O 3.14Å; R47-A141 WeakPolarHBondContact CB-O 3.28Å; L48-A141 HydrophobicContact CD1-CB 3.78Å; L48-A141 HydrophobicContact CG-CB 3.92Å; L48-A141 PolarHBondContact N-O 3.31Å; V126-A141 CarbonylContact O-C 3.51Å; V126-A141 WeakPolarHBondContact O-CA 3.42Å; Y127-A141 HydrophobicContact CD2-CB 4.09Å; A141-L162 HydrophobicContact CB-CD1 4.37Å; A141-L162 HydrophobicContact CB-CD2 3.98Å; A141-I167 HydrophobicContact CB-CG2 4.49Å; A141-M172 HydrophobicContact CB-CE 3.95Å |
| 142 | W | 98.7 | Very high | 92.1 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.1 | 177 | -59.6 | -101.1 | 0 | 0 | 0 | 110 | E44 A46 R47 F52 E53 V126 Y140 L144 | E44-W142 VanDerWaalsContact OE2-CD1 3.28Å; A46-W142 WeakPolarHBondContact O-CA 3.34Å; R47-W142 HydrophobicContact CB-CG 4.2Å; F52-W142 HydrophobicContact CE2-CZ2 4.36Å; F52-W142 HydrophobicContact CZ-CZ2 4.07Å; E53-W142 PolarHBondContact OE1-NE1 2.79Å; V126-W142 HydrophobicContact CB-CB 4.4Å; V126-W142 HydrophobicContact CB-CE3 4.25Å; V126-W142 HydrophobicContact CG1-CE3 3.93Å; V126-W142 HydrophobicContact CG1-CZ3 4.34Å; V126-W142 PolarHBondContact N-O 2.92Å; V126-W142 PolarHBondContact O-N 3.13Å; Y140-W142 HydrophobicContact CD2-CH2 4.29Å; Y140-W142 AromaticContact CG-CH2 3.9Å; Y140-W142 HydrophobicContact CG-CH2 3.9Å; Y140-W142 HydrophobicContact CG-CZ2 4.3Å; W142-L144 HydrophobicContact CB-CD2 3.9Å; W142-L144 HydrophobicContact CB-CG 4.21Å |
| 143 | I | 98.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.2 | 164.5 | -57.8 | 178.8 | 0 | 0 | 0 | 105.8 | I45 A46 L123 V155 A158 K159 L162 M172 | I45-I143 HydrophobicContact CB-CG2 4.3Å; I45-I143 WeakPolarHBondContact CB-O 3.06Å; I45-I143 PolarHBondContact N-O 3.42Å; A46-I143 HydrophobicContact CB-CB 4.32Å; A46-I143 HydrophobicContact CB-CD1 4.2Å; A46-I143 HydrophobicContact CB-CG1 4.46Å; A46-I143 PolarHBondContact N-O 3.05Å; A46-I143 PolarHBondContact O-N 2.9Å; L123-I143 HydrophobicContact CD1-CG2 3.85Å; I143-V155 HydrophobicContact CD1-CG1 4.43Å; I143-A158 HydrophobicContact CD1-CB 3.73Å; I143-A158 HydrophobicContact CG1-CB 3.95Å; I143-A158 HydrophobicContact CG2-CB 3.84Å; I143-K159 HydrophobicContact CD1-CG 3.76Å; I143-L162 HydrophobicContact CD1-CD1 4.41Å; I143-L162 HydrophobicContact CG1-CD1 4.3Å; I143-M172 HydrophobicContact CD1-SD 3.77Å; I143-M172 HydrophobicContact CG1-CE 4.49Å; I143-M172 HydrophobicContact CG1-SD 4.23Å |
| 144 | L | 98.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.3 | -177.9 | -55.6 | -178.3 | 0 | 0 | 0 | 110.2 | W42 Y43 E44 L123 A124 V126 W142 | W42-L144 HydrophobicContact CB-CB 4.2Å; W42-L144 HydrophobicContact CB-CD1 4.27Å; W42-L144 HydrophobicContact CD2-CB 4.3Å; W42-L144 HydrophobicContact CE3-CB 3.79Å; Y43-L144 CarbonylContact O-C 3.54Å; Y43-L144 VanDerWaalsContact O-CA 3.28Å; Y43-L144 WeakPolarHBondContact O-CA 3.24Å; E44-L144 HydrophobicContact CB-CD2 4.27Å; L123-L144 WeakPolarHBondContact CA-O 3.03Å; A124-L144 HydrophobicContact CB-CB 4.22Å; A124-L144 PolarHBondContact N-O 3.13Å; A124-L144 PolarHBondContact O-N 2.71Å; V126-L144 HydrophobicContact CG2-CD1 3.86Å; V126-L144 HydrophobicContact CG2-CG 4.45Å; W142-L144 HydrophobicContact CB-CD2 3.9Å; W142-L144 HydrophobicContact CB-CG 4.21Å |
| 145 | S | 98.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.9 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | W42 Y43 S122 S147 | W42-S145 VanDerWaalsContact CE3-C 3.47Å; Y43-S145 WeakPolarHBondContact CD2-O 3.47Å; Y43-S145 PolarHBondContact N-O 2.78Å; Y43-S145 PolarHBondContact O-N 2.67Å; S122-S145 WeakPolarHBondContact O-CA 3.22Å; S122-S145 WeakPolarHBondContact O-CB 3.48Å; S122-S145 PolarHBondContact O-OG 2.8Å; S145-S147 VanDerWaalsContact CB-O 3.28Å; S145-S147 WeakPolarHBondContact CB-O 3.14Å; S145-S147 PolarHBondContact OG-N 2.82Å; S145-S147 VanDerWaalsContact OG-N 3.16Å; S145-S147 PolarHBondContact OG-O 3.28Å |
| 146 | R | 97.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -73.1 | -15.3 | 168.7 | -62.6 | -58 | -165.2 | 169.2 | 2.9 | 112.9 | K37 Y38 L39 R41 W42 Y43 Y120 T121 S122 | K37-R146 PolarHBondContact O-NH2 3.24Å; K37-R146 VanDerWaalsContact O-NH2 3.13Å; Y38-R146 PolarHBondContact O-NH2 3.17Å; L39-R146 PolarHBondContact O-NH1 3.39Å; L39-R146 PolarHBondContact O-NH2 2.64Å; R41-R146 WeakPolarHBondContact O-CD 3.42Å; R41-R146 PolarHBondContact O-NH1 2.89Å; W42-R146 VanDerWaalsContact CE2-NE 3.34Å; W42-R146 HydrophobicContact CE3-CG 4.25Å; W42-R146 HydrophobicContact CH2-CG 4.03Å; W42-R146 HydrophobicContact CZ2-CG 4.44Å; W42-R146 HydrophobicContact CZ3-CG 3.92Å; W42-R146 VanDerWaalsContact NE1-CZ 3.31Å; Y43-R146 WeakPolarHBondContact CE2-O 3.29Å; Y120-R146 PolarHBondContact O-NE 2.7Å; Y120-R146 PolarHBondContact O-NH2 3.38Å; Y120-R146 VanDerWaalsContact O-NH2 3.14Å; T121-R146 VanDerWaalsContact C-CG 3.44Å; T121-R146 VanDerWaalsContact O-CB 3.3Å; T121-R146 WeakPolarHBondContact O-CB 3.38Å; T121-R146 WeakPolarHBondContact O-CG 3.42Å; S122-R146 PolarHBondContact O-N 3.46Å |
| 147 | S | 97.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -111.8 | 144.8 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | S145 F149 | S145-S147 VanDerWaalsContact CB-O 3.28Å; S145-S147 WeakPolarHBondContact CB-O 3.14Å; S145-S147 PolarHBondContact OG-N 2.82Å; S145-S147 VanDerWaalsContact OG-N 3.16Å; S145-S147 PolarHBondContact OG-O 3.28Å; S147-F149 PolarHBondContact O-N 3.22Å; S147-F149 PolarHBondContact OG-N 2.97Å; S147-F149 PolarHBondContact OG-O 3.01Å |
| 148 | R | 96.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -64.2 | -28.3 | 171.7 | -75 | -174.9 | -176.4 | 126.9 | -4.1 | 113 | Y43 Q177 D181 | Y43-R148 HydrophobicContact CD1-CG 3.59Å; Y43-R148 HydrophobicContact CD2-CG 3.96Å; Y43-R148 HydrophobicContact CE1-CG 3.66Å; Y43-R148 VanDerWaalsContact CE1-NE 3.3Å; Y43-R148 HydrophobicContact CE2-CG 4.02Å; Y43-R148 HydrophobicContact CG-CG 3.74Å; R148-Q177 HydrophobicContact CB-CB 3.96Å; R148-Q177 HydrophobicContact CG-CB 4.27Å; R148-D181 IonicContact CZ-OD1 2.8Å; R148-D181 IonicContact NH1-OD1 2.8Å; R148-D181 PolarHBondContact NH1-OD1 3.06Å; R148-D181 IonicContact NH1-OD2 3.81Å; R148-D181 IonicContact NH2-OD1 3.53Å |
| 149 | F | 96.8 | Very high | 97.6 | Very high | 132 Ų | 132 | 55.5 Ų | 55.5 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -127.9 | 76.1 | -177.3 | -54 | -73.1 | 0 | 0 | 0 | 109.1 | S147 Q177 N178 | S147-F149 PolarHBondContact O-N 3.22Å; S147-F149 PolarHBondContact OG-N 2.97Å; S147-F149 PolarHBondContact OG-O 3.01Å; F149-Q177 HydrophobicContact CE1-CB 4.43Å; F149-N178 WeakPolarHBondContact CZ-OD1 3.15Å |
| 150 | P | 97.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | trans | -67.7 | 163.5 | 175.7 | 30.6 | -36.9 | 0 | 0 | 0 | 111.4 | I45 V155 | I45-P150 HydrophobicContact CD1-CG 4.03Å; I45-P150 HydrophobicContact CG1-CG 3.98Å; I45-P150 HydrophobicContact CG2-CG 3.92Å; P150-V155 HydrophobicContact CG-CG2 3.78Å | ||
| 151 | L | 97.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 58.5 Ų | 58.5 | 57% | 0.571 | 28% | 0.279 | S | S | * | . | trans | -62.2 | 141 | 175.3 | -62.3 | 173.8 | 0 | 0 | 0 | 110.6 | Q153 T154 V155 | L151-Q153 HydrophobicContact CB-CG 3.97Å; L151-Q153 PolarHBondContact O-N 2.79Å; L151-Q153 VanDerWaalsContact O-N 3.13Å; L151-T154 VanDerWaalsContact O-CB 3.31Å; L151-T154 WeakPolarHBondContact O-CB 3.43Å; L151-T154 PolarHBondContact O-N 3.06Å; L151-V155 PolarHBondContact O-N 3.46Å | ||
| 152 | P | 97 | Very high | 97.9 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 71% | 0.714 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55 | -35 | 179.3 | -28.5 | 35.4 | 0 | 0 | 0 | 113.8 | T154 V155 R156 | P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3Å; P152-V155 PolarHBondContact O-N 2.75Å; P152-R156 WeakPolarHBondContact O-CB 3.37Å; P152-R156 PolarHBondContact O-N 2.81Å |
| 153 | Q | 97.3 | Very high | 97.8 | Very high | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | 176.8 | 67.1 | -174.1 | 5.8 | 0 | 0 | 113.1 | L151 R156 Y157 | L151-Q153 HydrophobicContact CB-CG 3.97Å; L151-Q153 PolarHBondContact O-N 2.79Å; L151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-R156 PolarHBondContact O-N 3.25Å; Q153-Y157 WeakPolarHBondContact O-CB 3.42Å; Q153-Y157 PolarHBondContact O-N 3.38Å |
| 154 | T | 96.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 178 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | L123 L151 P152 A158 | L123-T154 HydrophobicContact CB-CG2 3.77Å; L123-T154 HydrophobicContact CD1-CG2 4.03Å; L123-T154 HydrophobicContact CD2-CG2 3.84Å; L123-T154 HydrophobicContact CG-CG2 4.07Å; L151-T154 VanDerWaalsContact O-CB 3.31Å; L151-T154 WeakPolarHBondContact O-CB 3.43Å; L151-T154 PolarHBondContact O-N 3.06Å; P152-T154 VanDerWaalsContact C-N 3.31Å; P152-T154 PolarHBondContact O-N 3Å; T154-A158 PolarHBondContact O-N 3.29Å; T154-A158 VanDerWaalsContact O-N 3.11Å |
| 155 | V | 97.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 71.5 Ų | 71.5 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | I45 I143 P150 L151 P152 A158 K159 | I45-V155 HydrophobicContact CG2-CG2 3.91Å; I143-V155 HydrophobicContact CD1-CG1 4.43Å; P150-V155 HydrophobicContact CG-CG2 3.78Å; L151-V155 PolarHBondContact O-N 3.46Å; P152-V155 PolarHBondContact O-N 2.75Å; V155-A158 PolarHBondContact O-N 2.96Å; V155-K159 HydrophobicContact CG1-CD 4.46Å; V155-K159 WeakPolarHBondContact O-CG 3.37Å; V155-K159 PolarHBondContact O-N 2.85Å; V155-K159 VanDerWaalsContact O-N 3.07Å |
| 156 | R | 98.3 | Very high | 97.4 | Very high | 164 Ų | 164 | 73.7 Ų | 73.7 | 62% | 0.619 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.2 | -48.9 | 176.9 | -161.1 | -176.7 | 94.9 | -169.3 | 1 | 111.4 | P152 Q153 A158 K159 E160 | P152-R156 WeakPolarHBondContact O-CB 3.37Å; P152-R156 PolarHBondContact O-N 2.81Å; Q153-R156 PolarHBondContact O-N 3.25Å; R156-A158 VanDerWaalsContact C-N 3.33Å; R156-A158 PolarHBondContact O-N 3.39Å; R156-K159 PolarHBondContact O-N 3.2Å; R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.24Å; R156-E160 IonicContact NE-OE1 2.96Å; R156-E160 PolarHBondContact NE-OE1 2.79Å; R156-E160 IonicContact NH2-OE1 2.89Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 2.75Å |
| 157 | Y | 98.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.3 | -47.4 | 175.3 | 166.1 | -99.8 | 0 | 0 | 0 | 111.9 | T117 L123 Q153 K159 E160 L161 | T117-Y157 HydrophobicContact CG2-CE1 4.08Å; L123-Y157 HydrophobicContact CD2-CD1 3.58Å; L123-Y157 HydrophobicContact CD2-CE1 3.84Å; Q153-Y157 WeakPolarHBondContact O-CB 3.42Å; Q153-Y157 PolarHBondContact O-N 3.38Å; Y157-K159 VanDerWaalsContact C-N 3.32Å; Y157-K159 PolarHBondContact O-N 2.61Å; Y157-E160 PolarHBondContact O-N 2.85Å; Y157-L161 WeakPolarHBondContact O-CB 3.15Å; Y157-L161 PolarHBondContact O-N 2.81Å |
| 158 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 V125 I143 T154 V155 R156 L162 | L123-A158 HydrophobicContact CD1-CB 4.07Å; L123-A158 HydrophobicContact CD2-CB 4.28Å; V125-A158 HydrophobicContact CG2-CB 3.57Å; I143-A158 HydrophobicContact CD1-CB 3.73Å; I143-A158 HydrophobicContact CG1-CB 3.95Å; I143-A158 HydrophobicContact CG2-CB 3.84Å; T154-A158 PolarHBondContact O-N 3.29Å; T154-A158 VanDerWaalsContact O-N 3.11Å; V155-A158 PolarHBondContact O-N 2.96Å; R156-A158 VanDerWaalsContact C-N 3.33Å; R156-A158 PolarHBondContact O-N 3.39Å; A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.42Å; A158-L162 VanDerWaalsContact O-N 3.13Å |
| 159 | K | 98.5 | Very high | 97 | Very high | 81 Ų | 81 | 70.4 Ų | 70.4 | 35% | 0.352 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 175.3 | -74.4 | -178.3 | 176.5 | -175.1 | 0 | 112.4 | I143 V155 R156 Y157 L161 L162 V163 I169 M172 | I143-K159 HydrophobicContact CD1-CG 3.76Å; V155-K159 HydrophobicContact CG1-CD 4.46Å; V155-K159 WeakPolarHBondContact O-CG 3.37Å; V155-K159 PolarHBondContact O-N 2.85Å; V155-K159 VanDerWaalsContact O-N 3.07Å; R156-K159 PolarHBondContact O-N 3.2Å; Y157-K159 VanDerWaalsContact C-N 3.32Å; Y157-K159 PolarHBondContact O-N 2.61Å; K159-L161 VanDerWaalsContact C-N 3.28Å; K159-L161 PolarHBondContact O-N 2.86Å; K159-L162 PolarHBondContact O-N 3.02Å; K159-V163 WeakPolarHBondContact O-CG2 3.34Å; K159-V163 PolarHBondContact O-N 2.8Å; K159-V163 VanDerWaalsContact O-N 3.09Å; K159-I169 HydrophobicContact CB-CD1 3.61Å; K159-I169 HydrophobicContact CD-CD1 4.25Å; K159-I169 HydrophobicContact CG-CD1 3.89Å; K159-M172 HydrophobicContact CG-SD 4.48Å |
| 160 | E | 98.4 | Very high | 97 | Very high | 80 Ų | 80 | 68.4 Ų | 68.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 176.3 | -73.1 | 171.4 | -168.6 | 0 | 0 | 111.6 | R156 Y157 R164 | R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.24Å; R156-E160 IonicContact NE-OE1 2.96Å; R156-E160 PolarHBondContact NE-OE1 2.79Å; R156-E160 IonicContact NH2-OE1 2.89Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 2.75Å; Y157-E160 PolarHBondContact O-N 2.85Å; E160-R164 WeakPolarHBondContact O-CB 3.43Å; E160-R164 PolarHBondContact O-N 2.99Å |
| 161 | L | 98.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 173.7 | 176.5 | 66.3 | 0 | 0 | 0 | 111.4 | L116 T117 V125 Y157 K159 V163 R164 E165 | L116-L161 HydrophobicContact CB-CD2 4.39Å; T117-L161 HydrophobicContact CG2-CD2 3.31Å; V125-L161 HydrophobicContact CB-CD2 4.34Å; V125-L161 HydrophobicContact CG1-CD2 4.49Å; V125-L161 HydrophobicContact CG2-CD2 4.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.15Å; Y157-L161 PolarHBondContact O-N 2.81Å; K159-L161 VanDerWaalsContact C-N 3.28Å; K159-L161 PolarHBondContact O-N 2.86Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.92Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 2.89Å; L161-R164 VanDerWaalsContact O-N 3.12Å; L161-E165 HydrophobicContact CD1-CG 4.05Å; L161-E165 HydrophobicContact CG-CG 4.43Å; L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 2.9Å |
| 162 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 179.7 | -71.5 | 166.9 | 0 | 0 | 0 | 111.9 | L116 V125 A141 I143 A158 K159 E165 G166 I167 I169 M172 | L116-L162 HydrophobicContact CD1-CD2 4.05Å; V125-L162 HydrophobicContact CG1-CD1 4.27Å; V125-L162 HydrophobicContact CG1-CD2 3.65Å; V125-L162 HydrophobicContact CG1-CG 3.85Å; A141-L162 HydrophobicContact CB-CD1 4.37Å; A141-L162 HydrophobicContact CB-CD2 3.98Å; I143-L162 HydrophobicContact CD1-CD1 4.41Å; I143-L162 HydrophobicContact CG1-CD1 4.3Å; A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.42Å; A158-L162 VanDerWaalsContact O-N 3.13Å; K159-L162 PolarHBondContact O-N 3.02Å; L162-E165 PolarHBondContact O-N 3.21Å; L162-G166 PolarHBondContact O-N 2.84Å; L162-I167 HydrophobicContact CB-CB 4.29Å; L162-I167 HydrophobicContact CD2-CB 4.44Å; L162-I167 HydrophobicContact CD2-CD1 3.57Å; L162-I167 HydrophobicContact CD2-CG2 4.37Å; L162-I167 VanDerWaalsContact O-CB 3.31Å; L162-I167 WeakPolarHBondContact O-CB 3.37Å; L162-I167 PolarHBondContact O-N 2.82Å; L162-I169 HydrophobicContact CB-CG2 3.62Å; L162-I169 HydrophobicContact CD1-CG2 3.85Å; L162-I169 HydrophobicContact CG-CG2 4.36Å; L162-M172 HydrophobicContact CD1-CE 3.54Å; L162-M172 HydrophobicContact CD1-SD 4.2Å |
| 163 | V | 97.5 | Very high | 96.8 | Very high | 86 Ų | 86 | 68.8 Ų | 68.8 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | K159 L161 E165 G166 I169 | K159-V163 WeakPolarHBondContact O-CG2 3.34Å; K159-V163 PolarHBondContact O-N 2.8Å; K159-V163 VanDerWaalsContact O-N 3.09Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.92Å; V163-E165 PolarHBondContact O-N 3.27Å; V163-G166 PolarHBondContact O-N 3.09Å; V163-I169 HydrophobicContact CG2-CD1 3.59Å; V163-I169 HydrophobicContact CG2-CG1 3.65Å |
| 164 | R | 97.1 | Very high | 96.8 | Very high | 176 Ų | 176 | 66.6 Ų | 66.6 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.5 | -36.5 | 178 | -174.5 | -173.9 | -54.9 | 168.4 | 5.2 | 112.2 | E160 L161 G166 | E160-R164 WeakPolarHBondContact O-CB 3.43Å; E160-R164 PolarHBondContact O-N 2.99Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 2.89Å; L161-R164 VanDerWaalsContact O-N 3.12Å; R164-G166 PolarHBondContact O-N 2.86Å |
| 165 | E | 96.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 23% | 0.234 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 7.4 | 177.2 | -63.9 | -57.7 | 137.7 | 0 | 0 | 113.4 | P27 A28 L161 L162 V163 I167 | P27-E165 WeakPolarHBondContact CA-OE2 3.29Å; P27-E165 HydrophobicContact CB-CB 3.83Å; P27-E165 HydrophobicContact CB-CG 4.05Å; P27-E165 WeakPolarHBondContact CB-OE2 3.44Å; A28-E165 PolarHBondContact N-OE2 2.94Å; L161-E165 HydrophobicContact CD1-CG 4.05Å; L161-E165 HydrophobicContact CG-CG 4.43Å; L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 2.9Å; L162-E165 PolarHBondContact O-N 3.21Å; V163-E165 PolarHBondContact O-N 3.27Å; E165-I167 HydrophobicContact CB-CD1 4.28Å |
| 166 | G | 93.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 18.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L162 V163 R164 | L162-G166 PolarHBondContact O-N 2.84Å; V163-G166 PolarHBondContact O-N 3.09Å; R164-G166 PolarHBondContact O-N 2.86Å |
| 167 | I | 94.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | -94.4 | 121.7 | 178.7 | -58.4 | 159.6 | 0 | 0 | 0 | 108.8 | P25 L48 L116 Y127 A141 L162 E165 I169 | P25-I167 HydrophobicContact CG-CG1 4.27Å; L48-I167 HydrophobicContact CD1-CG2 4.17Å; L116-I167 HydrophobicContact CD1-CD1 3.9Å; Y127-I167 HydrophobicContact CD1-CD1 4.22Å; Y127-I167 HydrophobicContact CD2-CD1 3.48Å; Y127-I167 VanDerWaalsContact CD2-CD1 3.48Å; Y127-I167 HydrophobicContact CD2-CG1 4.02Å; Y127-I167 HydrophobicContact CD2-CG2 4.29Å; Y127-I167 HydrophobicContact CE1-CD1 4.39Å; Y127-I167 HydrophobicContact CE2-CB 4.42Å; Y127-I167 HydrophobicContact CE2-CD1 3.7Å; Y127-I167 HydrophobicContact CE2-CG1 3.67Å; Y127-I167 HydrophobicContact CE2-CG2 3.86Å; Y127-I167 HydrophobicContact CG-CD1 3.76Å; A141-I167 HydrophobicContact CB-CG2 4.49Å; L162-I167 HydrophobicContact CB-CB 4.29Å; L162-I167 HydrophobicContact CD2-CB 4.44Å; L162-I167 HydrophobicContact CD2-CD1 3.57Å; L162-I167 HydrophobicContact CD2-CG2 4.37Å; L162-I167 VanDerWaalsContact O-CB 3.31Å; L162-I167 WeakPolarHBondContact O-CB 3.37Å; L162-I167 PolarHBondContact O-N 2.82Å; E165-I167 HydrophobicContact CB-CD1 4.28Å; I167-I169 PolarHBondContact O-N 2.88Å | ||
| 168 | D | 93.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | trans | -76.2 | 111.9 | 177.9 | 177.9 | 10.6 | 0 | 0 | 0 | 110.7 | H20 L48 S170 | H20-D168 IonicContact CE1-OD2 3.7Å; L48-D168 WeakPolarHBondContact CD2-O 3.18Å; D168-S170 VanDerWaalsContact CG-OG 3.29Å; D168-S170 WeakPolarHBondContact OD1-CB 3.32Å; D168-S170 PolarHBondContact OD1-N 3.27Å; D168-S170 PolarHBondContact OD1-OG 2.8Å; D168-S170 PolarHBondContact OD2-OG 2.02Å; D168-S170 VanDerWaalsContact OD2-OG 3.09Å | ||
| 169 | I | 95.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | trans | -98.7 | 8.7 | 179.7 | 66 | 168 | 0 | 0 | 0 | 113.7 | K159 L162 V163 I167 R171 M172 | K159-I169 HydrophobicContact CB-CD1 3.61Å; K159-I169 HydrophobicContact CD-CD1 4.25Å; K159-I169 HydrophobicContact CG-CD1 3.89Å; L162-I169 HydrophobicContact CB-CG2 3.62Å; L162-I169 HydrophobicContact CD1-CG2 3.85Å; L162-I169 HydrophobicContact CG-CG2 4.36Å; V163-I169 HydrophobicContact CG2-CD1 3.59Å; V163-I169 HydrophobicContact CG2-CG1 3.65Å; I167-I169 PolarHBondContact O-N 2.88Å; I169-R171 PolarHBondContact O-N 2.92Å; I169-R171 VanDerWaalsContact O-N 3.08Å; I169-M172 HydrophobicContact CB-CB 4.05Å; I169-M172 HydrophobicContact CB-SD 4.5Å; I169-M172 HydrophobicContact CG2-CE 4.23Å; I169-M172 HydrophobicContact CG2-SD 4.45Å; I169-M172 WeakPolarHBondContact O-CB 3.3Å; I169-M172 PolarHBondContact O-N 2.82Å | ||
| 170 | S | 95.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -30.4 | -178.5 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | D168 | D168-S170 VanDerWaalsContact CG-OG 3.29Å; D168-S170 WeakPolarHBondContact OD1-CB 3.32Å; D168-S170 PolarHBondContact OD1-N 3.27Å; D168-S170 PolarHBondContact OD1-OG 2.8Å; D168-S170 PolarHBondContact OD2-OG 2.02Å; D168-S170 VanDerWaalsContact OD2-OG 3.09Å |
| 171 | R | 94.7 | Very high | 93 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 1.6 | 178.5 | -64 | -175 | 62.3 | -165.3 | 1.1 | 114 | T18 P49 I169 K173 | T18-R171 HydrophobicContact CG2-CB 4.34Å; T18-R171 VanDerWaalsContact CG2-NH1 3.29Å; P49-R171 VanDerWaalsContact CD-O 3.26Å; P49-R171 WeakPolarHBondContact CD-O 3.4Å; P49-R171 HydrophobicContact CG-CB 4.04Å; P49-R171 WeakPolarHBondContact CG-O 3.41Å; I169-R171 PolarHBondContact O-N 2.92Å; I169-R171 VanDerWaalsContact O-N 3.08Å; R171-K173 PolarHBondContact O-N 3.26Å |
| 172 | M | 96.9 | Very high | 90.6 | Very high | 23 Ų | 23 | 80 Ų | 80 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | trans | -62.8 | 131.5 | 179 | -179.1 | 166.6 | -81.6 | 0 | 0 | 110.5 | A46 R47 L48 A141 I143 K159 L162 I169 | A46-M172 HydrophobicContact CB-CG 3.98Å; A46-M172 HydrophobicContact CB-SD 3.99Å; R47-M172 CarbonylContact O-C 3.51Å; R47-M172 WeakPolarHBondContact O-CA 3.4Å; R47-M172 WeakPolarHBondContact O-CG 2.96Å; L48-M172 HydrophobicContact CD2-CB 4.04Å; L48-M172 HydrophobicContact CD2-CE 4.46Å; L48-M172 HydrophobicContact CG-CE 4.2Å; A141-M172 HydrophobicContact CB-CE 3.95Å; I143-M172 HydrophobicContact CD1-SD 3.77Å; I143-M172 HydrophobicContact CG1-CE 4.49Å; I143-M172 HydrophobicContact CG1-SD 4.23Å; K159-M172 HydrophobicContact CG-SD 4.48Å; L162-M172 HydrophobicContact CD1-CE 3.54Å; L162-M172 HydrophobicContact CD1-SD 4.2Å; I169-M172 HydrophobicContact CB-CB 4.05Å; I169-M172 HydrophobicContact CB-SD 4.5Å; I169-M172 HydrophobicContact CG2-CE 4.23Å; I169-M172 HydrophobicContact CG2-SD 4.45Å; I169-M172 WeakPolarHBondContact O-CB 3.3Å; I169-M172 PolarHBondContact O-N 2.82Å | ||
| 173 | K | 96 | Very high | 90.3 | Very high | 133 Ų | 133 | 84.1 Ų | 84.1 | 58% | 0.578 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139 | -178.8 | -61.8 | -176.9 | -179.7 | -178.3 | 0 | 109.9 | A46 R47 R171 | A46-K173 CarbonylContact C-O 3.59Å; A46-K173 WeakPolarHBondContact CA-O 2.85Å; A46-K173 WeakPolarHBondContact CB-O 3.41Å; R47-K173 PolarHBondContact N-O 2.92Å; R47-K173 PolarHBondContact O-N 2.98Å; R171-K173 PolarHBondContact O-N 3.26Å |
| 174 | A | 97.4 | Very high | 89.9 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 73% | 0.727 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 175 | T | 97.2 | Very high | 89.5 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 131.3 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | E44 I45 I58 Q177 | E44-T175 HydrophobicContact CB-CG2 4.44Å; E44-T175 HydrophobicContact CG-CG2 4.44Å; E44-T175 VanDerWaalsContact O-CB 3.26Å; E44-T175 WeakPolarHBondContact O-CB 3.38Å; E44-T175 WeakPolarHBondContact O-CG2 3.21Å; E44-T175 PolarHBondContact OE1-OG1 2.88Å; I45-T175 PolarHBondContact O-N 2.95Å; I58-T175 HydrophobicContact CB-CG2 4.12Å; I58-T175 HydrophobicContact CD1-CG2 3.9Å; I58-T175 HydrophobicContact CG1-CG2 4.19Å; T175-Q177 PolarHBondContact O-N 3.05Å |
| 176 | D | 96.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 116.1 | 177 | 178.5 | 16.5 | 0 | 0 | 0 | 109.9 | K56 C57 N178 | K56-D176 HydrophobicContact CB-CB 3.89Å; K56-D176 WeakPolarHBondContact CB-O 3.4Å; K56-D176 WeakPolarHBondContact CD-OD2 3.19Å; C57-D176 PolarHBondContact N-O 2.83Å; D176-N178 WeakPolarHBondContact OD1-CB 3.48Å; D176-N178 PolarHBondContact OD1-N 2.86Å; D176-N178 PolarHBondContact OD1-ND2 3.34Å |
| 177 | Q | 96.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 82.5 Ų | 82.5 | 3% | 0.033 | 44% | 0.439 | C | S | . | . | trans | -108.9 | 13.3 | 178.1 | -68.6 | -67.9 | -17.9 | 0 | 0 | 112.6 | E44 I45 I58 R148 F149 T175 C179 | E44-Q177 PolarHBondContact O-NE2 2.63Å; I45-Q177 HydrophobicContact CD1-CG 4.46Å; I58-Q177 PolarHBondContact O-NE2 3.27Å; R148-Q177 HydrophobicContact CB-CB 3.96Å; R148-Q177 HydrophobicContact CG-CB 4.27Å; F149-Q177 HydrophobicContact CE1-CB 4.43Å; T175-Q177 PolarHBondContact O-N 3.05Å; Q177-C179 VanDerWaalsContact C-SG 3.58Å; Q177-C179 PolarHBondContact O-N 3.42Å; Q177-C179 PolarHBondContact O-SG 2.8Å | ||
| 178 | N | 93.8 | Very high | 88.4 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 58% | 0.583 | 47% | 0.467 | S | S | * | . | trans | -75.4 | 79.4 | 170.8 | -66.7 | -54.5 | 0 | 0 | 0 | 110.3 | F149 D176 | F149-N178 WeakPolarHBondContact CZ-OD1 3.15Å; D176-N178 WeakPolarHBondContact OD1-CB 3.48Å; D176-N178 PolarHBondContact OD1-N 2.86Å; D176-N178 PolarHBondContact OD1-ND2 3.34Å | ||
| 179 | C | 87.1 | Confident | 88 | Confident | 30 Ų | 30 | 89 Ų | 89 | 20% | 0.203 | 47% | 0.473 | C | S | . | . | trans | -93.1 | 140.1 | -177.9 | -50.4 | 0 | 0 | 0 | 0 | 110 | C57 Q177 D181 | C57-C179 WeakPolarHBondContact CA-SG 3.43Å; C57-C179 HydrophobicContact CB-CB 4.05Å; C57-C179 WeakPolarHBondContact CB-SG 3.33Å; C57-C179 WeakPolarHBondContact SG-CA 3.03Å; C57-C179 WeakPolarHBondContact SG-CB 3.38Å; C57-C179 CovalentContact SG-SG 2.02Å; C57-C179 PolarHBondContact SG-SG 3.38Å; Q177-C179 VanDerWaalsContact C-SG 3.58Å; Q177-C179 PolarHBondContact O-N 3.42Å; Q177-C179 PolarHBondContact O-SG 2.8Å; C179-D181 PolarHBondContact O-N 3.08Å | ||
| 180 | K | 76.3 | Confident | 87.4 | Confident | 194 Ų | 194 | 93.2 Ų | 93.2 | 84% | 0.843 | 50% | 0.496 | S | S | * | . | trans | -72.5 | 113.1 | 160.6 | -69.7 | -177.5 | 178.7 | -177.8 | 0 | 105.9 | N182 | K180-N182 PolarHBondContact O-N 3.36Š| ||
| 181 | D | 60.8 | Low | 86.8 | Confident | 120 Ų | 120 | 93.4 Ų | 93.4 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | trans | -67.4 | 122.3 | 164.9 | -65.4 | -44.6 | 0 | 0 | 0 | 106.2 | R148 C179 | R148-D181 IonicContact CZ-OD1 2.8Å; R148-D181 IonicContact NH1-OD1 2.8Å; R148-D181 PolarHBondContact NH1-OD1 3.06Å; R148-D181 IonicContact NH1-OD2 3.81Å; R148-D181 IonicContact NH2-OD1 3.53Å; C179-D181 PolarHBondContact O-N 3.08Å | ||
| 182 | N | 48.7 | Very low | 86.1 | Confident | 232 Ų | 232 | 93 Ų | 93 | 100% | 1.241 | 50% | 0.495 | S | S | * | . | trans | -85.3 | 0 | 170 | -82.7 | -6 | 0 | 0 | 0 | 109.4 | K180 | K180-N182 PolarHBondContact O-N 3.36Š|
Retrieved 182 of 182 residues in 50.6 ms
(Link to these results)