| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.9 | Very low | 73.5 | Confident | 240 Ų | 240 | 72.2 Ų | 72.2 | 100% | 1.182 | 34% | 0.344 | S | S | * | . | 0 | 95.8 | 0 | -88.2 | 176.9 | 143.4 | 0 | 0 | 109.8 | K3 | M1-K3 PolarHBondContact O-N 3.15Š| |||
| 2 | F | 52.1 | Low | 75.1 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 47% | 0.469 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 121.9 | 170.6 | -100.2 | -86.7 | 0 | 0 | 0 | 108.8 | L92 C119 | F2-L92 HydrophobicContact CB-CD1 4.26Å; F2-L92 HydrophobicContact CD2-CD2 3.95Å; F2-L92 HydrophobicContact CE2-CD2 4.17Å; F2-L92 HydrophobicContact CG-CD1 4.5Å; F2-L92 HydrophobicContact CG-CD2 4.29Å; F2-C119 HydrophobicContact CE1-CB 3.82Å; F2-C119 WeakPolarHBondContact CE1-SG 3.47Å; F2-C119 HydrophobicContact CE2-CB 4.29Å; F2-C119 HydrophobicContact CZ-CB 3.54Å; F2-C119 WeakPolarHBondContact CZ-SG 3.43Å |
| 3 | K | 52.5 | Low | 76.4 | Confident | 191 Ų | 191 | 64.4 Ų | 64.4 | 83% | 0.83 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 138.7 | 174.5 | -66.3 | -176.6 | 176.8 | -176.6 | 0 | 108.6 | M1 G5 | M1-K3 PolarHBondContact O-N 3.15Å; K3-G5 PolarHBondContact O-N 3.26Å |
| 4 | E | 59.3 | Low | 77.5 | Confident | 166 Ų | 166 | 67.3 Ų | 67.3 | 78% | 0.776 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 133.1 | 176.2 | -63.8 | -177.7 | 132.9 | 0 | 0 | 110.5 | ||
| 5 | G | 66 | Low | 78.5 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | 0.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | K3 E122 | K3-G5 PolarHBondContact O-N 3.26Å; G5-E122 VanDerWaalsContact O-CG 3.3Å; G5-E122 WeakPolarHBondContact O-CG 3.41Å |
| 6 | G | 82.5 | Confident | 79.2 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -62 | 162.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V64 M120 | G6-V64 WeakPolarHBondContact O-CB 3.3Å; G6-V64 PolarHBondContact O-N 2.84Å; G6-M120 CarbonylContact C-O 3.53Å; G6-M120 VanDerWaalsContact CA-O 3.3Å; G6-M120 WeakPolarHBondContact CA-O 3.11Å | ||
| 7 | V | 88.2 | Confident | 79.6 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.2 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | D61 M120 E122 | V7-D61 HydrophobicContact CG1-CB 3.73Å; V7-M120 HydrophobicContact CB-CB 4.24Å; V7-M120 HydrophobicContact CB-CE 3.78Å; V7-M120 HydrophobicContact CB-SD 4.14Å; V7-M120 HydrophobicContact CG1-CE 3.43Å; V7-M120 VanDerWaalsContact CG1-CE 3.43Å; V7-M120 HydrophobicContact CG1-SD 4.38Å; V7-M120 PolarHBondContact N-O 2.74Å; V7-M120 PolarHBondContact O-N 2.76Å; V7-E122 HydrophobicContact CG2-CG 3.84Å; V7-E122 WeakPolarHBondContact CG2-OE1 3.13Å |
| 8 | L | 89.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.7 | 170.6 | -174.4 | 69.7 | 0 | 0 | 0 | 109.2 | V10 V62 V64 L70 F88 L91 L92 L95 I117 | L8-V10 HydrophobicContact CD2-CG2 3.89Å; L8-V10 HydrophobicContact CG-CG2 3.9Å; L8-V62 PolarHBondContact N-O 2.9Å; L8-V62 PolarHBondContact O-N 3.21Å; L8-V64 HydrophobicContact CB-CG2 3.59Å; L8-L70 HydrophobicContact CD2-CD1 4.49Å; L8-F88 HydrophobicContact CB-CD1 4.37Å; L8-F88 HydrophobicContact CB-CE1 4.31Å; L8-F88 HydrophobicContact CD2-CD1 3.63Å; L8-F88 HydrophobicContact CD2-CE1 3.87Å; L8-L91 HydrophobicContact CD2-CB 4.49Å; L8-L91 HydrophobicContact CD2-CD1 3.79Å; L8-L92 HydrophobicContact CD1-CD2 4.46Å; L8-L95 HydrophobicContact CD1-CD1 4.12Å; L8-I117 HydrophobicContact CD1-CB 4.12Å |
| 9 | R | 90.7 | Very high | 78.6 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.6 | 169.4 | -178.5 | 161.2 | -66.6 | -168.8 | 4.6 | 109.5 | C59 D61 I117 K118 M120 W178 | R9-C59 HydrophobicContact CG-CB 3.77Å; R9-D61 WeakPolarHBondContact CA-OD1 3.4Å; R9-D61 VanDerWaalsContact CB-OD1 3.25Å; R9-D61 WeakPolarHBondContact CB-OD1 3.43Å; R9-D61 VanDerWaalsContact CG-OD1 3.24Å; R9-D61 WeakPolarHBondContact CG-OD1 3.31Å; R9-D61 IonicContact CZ-OD1 2.69Å; R9-D61 IonicContact CZ-OD2 3.54Å; R9-D61 IonicContact NE-OD1 3.55Å; R9-D61 PolarHBondContact NE-OD1 2.95Å; R9-D61 IonicContact NE-OD2 3.44Å; R9-D61 IonicContact NH2-OD1 2.67Å; R9-D61 PolarHBondContact NH2-OD1 2.96Å; R9-D61 IonicContact NH2-OD2 3.45Å; R9-D61 PolarHBondContact NH2-OD2 2.92Å; R9-I117 CarbonylContact O-C 3.49Å; R9-I117 VanDerWaalsContact O-CA 3.29Å; R9-I117 WeakPolarHBondContact O-CA 3.41Å; R9-K118 HydrophobicContact CB-CB 4.4Å; R9-K118 PolarHBondContact N-O 3.15Å; R9-K118 PolarHBondContact O-N 2.76Å; R9-M120 HydrophobicContact CB-CE 3.98Å; R9-W178 VanDerWaalsContact CZ-CE2 3.46Å; R9-W178 VanDerWaalsContact CZ-CZ2 3.49Å |
| 10 | V | 91.7 | Very high | 77.5 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | -178.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | L8 F12 C59 F60 L70 V115 Q116 I117 | L8-V10 HydrophobicContact CD2-CG2 3.89Å; L8-V10 HydrophobicContact CG-CG2 3.9Å; V10-F12 HydrophobicContact CG1-CD1 4.12Å; V10-F12 HydrophobicContact CG1-CE1 3.67Å; V10-F12 HydrophobicContact CG1-CZ 4.44Å; V10-C59 CarbonylContact O-C 3.52Å; V10-C59 WeakPolarHBondContact O-CA 3.46Å; V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 2.82Å; V10-L70 HydrophobicContact CG2-CD1 4.4Å; V10-V115 HydrophobicContact CG1-CG1 3.43Å; V10-V115 VanDerWaalsContact CG1-CG1 3.43Å; V10-Q116 CarbonylContact C-O 3.59Å; V10-I117 HydrophobicContact CG2-CG2 4.43Å |
| 11 | K | 93.2 | Very high | 76.5 | Confident | 12 Ų | 12 | 79.7 Ų | 79.7 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.5 | 174.3 | 174.9 | -174 | 173.9 | -171.7 | 0 | 108.7 | V13 E57 V115 Q116 | K11-V13 HydrophobicContact CG-CG2 4.5Å; K11-E57 VanDerWaalsContact CE-C 3.5Å; K11-E57 VanDerWaalsContact CE-O 3.22Å; K11-E57 WeakPolarHBondContact CE-O 3.46Å; K11-E57 VanDerWaalsContact CE-OE1 3.24Å; K11-E57 WeakPolarHBondContact CE-OE1 3.44Å; K11-E57 WeakPolarHBondContact CE-OE2 3.23Å; K11-E57 IonicContact NZ-OE1 2.71Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 3.11Å; K11-V115 WeakPolarHBondContact O-CA 3.42Å; K11-Q116 HydrophobicContact CB-CB 4.29Å; K11-Q116 PolarHBondContact N-O 2.82Å; K11-Q116 PolarHBondContact O-N 2.76Å |
| 12 | F | 93.2 | Very high | 77.5 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.3 | 172.8 | -58.2 | -31.8 | 0 | 0 | 0 | 109.2 | V10 C29 L31 P54 W56 E57 I72 L113 V115 | V10-F12 HydrophobicContact CG1-CD1 4.12Å; V10-F12 HydrophobicContact CG1-CE1 3.67Å; V10-F12 HydrophobicContact CG1-CZ 4.44Å; F12-C29 HydrophobicContact CD2-CB 3.52Å; F12-C29 HydrophobicContact CE2-CB 3.65Å; F12-L31 HydrophobicContact CZ-CD1 4.41Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; F12-P54 HydrophobicContact CD2-CB 3.95Å; F12-P54 HydrophobicContact CD2-CG 4.24Å; F12-P54 HydrophobicContact CE2-CB 3.96Å; F12-P54 HydrophobicContact CE2-CG 3.72Å; F12-W56 HydrophobicContact CB-CE3 3.81Å; F12-W56 HydrophobicContact CB-CZ3 3.77Å; F12-E57 PolarHBondContact O-N 2.97Å; F12-I72 HydrophobicContact CE1-CD1 4.11Å; F12-I72 HydrophobicContact CE1-CG1 4.47Å; F12-I72 HydrophobicContact CZ-CD1 4.31Å; F12-I72 HydrophobicContact CZ-CG1 4.17Å; F12-I72 HydrophobicContact CZ-CG2 4.13Å; F12-L113 HydrophobicContact CD1-CD2 3.89Å; F12-L113 HydrophobicContact CE1-CD2 4.07Å; F12-L113 HydrophobicContact CG-CD2 4.34Å; F12-V115 HydrophobicContact CD1-CG1 4.07Å; F12-V115 HydrophobicContact CD1-CG2 3.92Å; F12-V115 HydrophobicContact CE1-CG1 4.25Å; F12-V115 HydrophobicContact CE1-CG2 4.2Å |
| 13 | V | 92.4 | Very high | 78 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 24% | 0.242 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -56.7 | -172 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | K11 E57 L114 Q116 | K11-V13 HydrophobicContact CG-CG2 4.5Å; V13-E57 WeakPolarHBondContact CA-OE1 3.36Å; V13-E57 WeakPolarHBondContact CG1-OE1 3.48Å; V13-L114 HydrophobicContact CB-CB 4.16Å; V13-L114 HydrophobicContact CB-CD2 4.13Å; V13-L114 HydrophobicContact CB-CG 4.05Å; V13-L114 WeakPolarHBondContact CB-O 3.48Å; V13-L114 HydrophobicContact CG1-CD2 3.82Å; V13-L114 HydrophobicContact CG1-CG 4.31Å; V13-L114 PolarHBondContact N-O 3.19Å; V13-Q116 HydrophobicContact CG2-CB 4.2Å |
| 14 | K | 91.3 | Very high | 78.7 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 154.1 | 177.5 | 64.2 | 179.5 | -173.8 | 172.9 | 0 | 111.4 | L114 | K14-L114 HydrophobicContact CD-CD2 4.46Å; K14-L114 HydrophobicContact CG-CB 3.85Å; K14-L114 HydrophobicContact CG-CD2 4.12Å; K14-L114 PolarHBondContact O-N 3.36Å |
| 15 | A | 92.1 | Very high | 79.1 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L27 W56 L74 K112 L113 | A15-L27 HydrophobicContact CB-CD1 4.32Å; A15-W56 HydrophobicContact CB-CH2 3.83Å; A15-W56 HydrophobicContact CB-CZ2 4.47Å; A15-L74 HydrophobicContact CB-CD1 3.91Å; A15-L74 HydrophobicContact CB-CD2 3.84Å; A15-K112 WeakPolarHBondContact CA-O 3.3Å; A15-L113 HydrophobicContact CB-CD1 4.04Å |
| 16 | V | 89.5 | Confident | 80 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 113.2 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 107 | W104 G111 K112 | V16-W104 HydrophobicContact CG2-CH2 4.03Å; V16-W104 HydrophobicContact CG2-CZ3 4.22Å; V16-G111 CarbonylContact O-C 3.48Å; V16-G111 WeakPolarHBondContact O-CA 3.28Å; V16-K112 PolarHBondContact N-O 3.16Å; V16-K112 PolarHBondContact O-N 3.39Å |
| 17 | L | 86.8 | Confident | 80.3 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | trans | -84.5 | 142 | 172.2 | -65.6 | 172.5 | 0 | 0 | 0 | 109.1 | C19 P24 L74 I81 | L17-C19 VanDerWaalsContact C-N 3.34Å; L17-P24 HydrophobicContact CD1-CG 3.56Å; L17-L74 HydrophobicContact CD2-CD2 3.71Å; L17-L74 HydrophobicContact CG-CD2 4.35Å; L17-I81 HydrophobicContact CD1-CD1 3.61Å; L17-I81 HydrophobicContact CD2-CD1 4.02Å; L17-I81 HydrophobicContact CG-CD1 4.41Å | ||
| 18 | Q | 73.8 | Confident | 80.5 | Confident | 132 Ų | 132 | 79 Ų | 79 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | trans | -100.1 | 21.9 | 178.3 | -67.6 | -178.6 | -38 | 0 | 0 | 111.9 | A110 | Q18-A110 HydrophobicContact CB-CB 4.48Š| ||
| 19 | C | 65.3 | Low | 80.7 | Confident | 86 Ų | 86 | 79.1 Ų | 79.1 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | trans | -102 | 141.7 | 178.6 | -144 | 0 | 0 | 0 | 0 | 109.8 | L17 E21 | L17-C19 VanDerWaalsContact C-N 3.34Å; C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 3.18Å | ||
| 20 | E | 56.7 | Low | 80.8 | Confident | 205 Ų | 205 | 77.9 Ų | 77.9 | 96% | 0.958 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -80.4 | -3.3 | -175.1 | -64.8 | -178.4 | 144.2 | 0 | 0 | 113.3 | ||
| 21 | E | 58.2 | Low | 81 | Confident | 168 Ų | 168 | 77.6 Ų | 77.6 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -90.2 | 145.4 | 179.3 | -62.7 | -173.3 | 132.7 | 0 | 0 | 111.4 | C19 | C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 3.18Å |
| 22 | E | 62.2 | Low | 81 | Confident | 174 Ų | 174 | 77.7 Ų | 77.7 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | trans | -19.4 | 132.2 | -167.9 | -67.4 | -177.2 | 99.9 | 0 | 0 | 117.2 | P24 | E22-P24 WeakPolarHBondContact O-CD 3.41Š| ||
| 23 | T | 63.2 | Low | 81 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 79% | 0.785 | 40% | 0.399 | S | S | * | . | trans | -56.7 | 115.1 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | K25 | T23-K25 PolarHBondContact O-N 3.35Š| ||
| 24 | P | 66.5 | Low | 81 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | trans | -62.5 | 136.1 | -176.8 | 21.4 | -31.6 | 0 | 0 | 0 | 110.5 | L17 E22 L27 D76 | L17-P24 HydrophobicContact CD1-CG 3.56Å; E22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-L27 HydrophobicContact CB-CD2 3.72Å; P24-L27 HydrophobicContact CB-CG 3.94Å; P24-L27 HydrophobicContact CG-CD1 3.81Å; P24-L27 HydrophobicContact CG-CD2 3.43Å; P24-L27 VanDerWaalsContact CG-CD2 3.43Å; P24-L27 HydrophobicContact CG-CG 3.58Å; P24-D76 HydrophobicContact CB-CB 4.07Å; P24-D76 WeakPolarHBondContact CB-OD2 3.16Å | ||
| 25 | K | 68.8 | Low | 81 | Confident | 198 Ų | 198 | 77.1 Ų | 77.1 | 86% | 0.861 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -85.4 | -26.3 | -169.6 | -67.4 | 176.3 | -176.6 | 167.8 | 0 | 112.8 | T23 | T23-K25 PolarHBondContact O-N 3.35Š|
| 26 | D | 83.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 82 Ų | 82 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -135.1 | 69.3 | -178.8 | -170.2 | 26.2 | 0 | 0 | 0 | 111.6 | Q28 S77 | D26-Q28 PolarHBondContact O-N 3.36Å; D26-Q28 PolarHBondContact OD1-NE2 2.81Å; D26-Q28 PolarHBondContact OD2-NE2 2.87Å; D26-S77 PolarHBondContact O-N 3.14Å |
| 27 | L | 89.8 | Confident | 80.9 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.6 | 172.8 | -73.5 | -179.1 | 0 | 0 | 0 | 110.7 | A15 P24 W56 L74 T75 D76 I81 | A15-L27 HydrophobicContact CB-CD1 4.32Å; P24-L27 HydrophobicContact CB-CD2 3.72Å; P24-L27 HydrophobicContact CB-CG 3.94Å; P24-L27 HydrophobicContact CG-CD1 3.81Å; P24-L27 HydrophobicContact CG-CD2 3.43Å; P24-L27 VanDerWaalsContact CG-CD2 3.43Å; P24-L27 HydrophobicContact CG-CG 3.58Å; L27-W56 HydrophobicContact CB-CZ2 4.33Å; L27-W56 PolarHBondContact O-NE1 2.96Å; L27-L74 HydrophobicContact CB-CD1 4.44Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; L27-L74 HydrophobicContact CD2-CD2 4.33Å; L27-L74 HydrophobicContact CD2-CG 4.15Å; L27-T75 WeakPolarHBondContact CA-O 3.3Å; L27-D76 HydrophobicContact CD2-CB 4.32Å; L27-I81 HydrophobicContact CD2-CD1 3.66Å |
| 28 | Q | 92.2 | Very high | 80.8 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.6 | 173.7 | -59.9 | -175.1 | -0.6 | 0 | 0 | 110.7 | D26 T75 | D26-Q28 PolarHBondContact O-N 3.36Å; D26-Q28 PolarHBondContact OD1-NE2 2.81Å; D26-Q28 PolarHBondContact OD2-NE2 2.87Å; Q28-T75 PolarHBondContact N-O 3.11Å; Q28-T75 PolarHBondContact O-N 3.24Å; Q28-T75 PolarHBondContact O-OG1 3.25Å |
| 29 | C | 92.9 | Very high | 81.3 | Confident | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.02 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.1 | 175.1 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | F12 P54 W56 L73 | F12-C29 HydrophobicContact CD2-CB 3.52Å; F12-C29 HydrophobicContact CE2-CB 3.65Å; C29-P54 WeakPolarHBondContact O-CD 3.14Å; C29-W56 WeakPolarHBondContact SG-CH2 3.45Å; C29-W56 WeakPolarHBondContact SG-CZ2 3.23Å; C29-L73 CarbonylContact C-O 3.6Å; C29-L73 VanDerWaalsContact CA-O 3.31Å; C29-L73 WeakPolarHBondContact CA-O 3.34Å |
| 30 | A | 94.3 | Very high | 82 | Confident | 8 Ų | 8 | 87.6 Ų | 87.6 | 7% | 0.066 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T51 H52 L73 | A30-T51 HydrophobicContact CB-CG2 3.8Å; A30-H52 CarbonylContact C-O 3.59Å; A30-H52 WeakPolarHBondContact CA-O 3.47Å; A30-L73 HydrophobicContact CB-CB 4.26Å; A30-L73 HydrophobicContact CB-CD1 4.46Å; A30-L73 PolarHBondContact N-O 2.83Å; A30-L73 PolarHBondContact O-N 3.43Å |
| 31 | L | 94.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 116.5 | -178.5 | 177.5 | 67.7 | 0 | 0 | 0 | 109.9 | F12 H52 P54 F60 V62 L70 I72 | F12-L31 HydrophobicContact CZ-CD1 4.41Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; L31-H52 HydrophobicContact CB-CB 4.27Å; L31-H52 PolarHBondContact N-O 2.8Å; L31-H52 PolarHBondContact O-N 3.26Å; L31-P54 HydrophobicContact CB-CG 4.08Å; L31-P54 HydrophobicContact CD2-CG 4.42Å; L31-F60 HydrophobicContact CD2-CD1 3.56Å; L31-F60 HydrophobicContact CD2-CE1 3.63Å; L31-V62 HydrophobicContact CD2-CG2 4.48Å; L31-L70 HydrophobicContact CD1-CB 4Å; L31-L70 HydrophobicContact CD1-CD2 4.14Å; L31-I72 HydrophobicContact CD1-CG1 3.71Å |
| 32 | N | 94.1 | Very high | 84.5 | Confident | 14 Ų | 14 | 84 Ų | 84 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.3 | 174.9 | -70.3 | -32.6 | 0 | 0 | 0 | 109.8 | K34 Q47 T51 H71 L73 | N32-K34 HydrophobicContact CB-CG 4.45Å; N32-Q47 PolarHBondContact OD1-NE2 2.92Å; N32-Q47 PolarHBondContact OD1-OE1 3.07Å; N32-T51 WeakPolarHBondContact OD1-CA 3.23Å; N32-T51 WeakPolarHBondContact OD1-CB 3.24Å; N32-T51 VanDerWaalsContact OD1-CG2 3.24Å; N32-T51 WeakPolarHBondContact OD1-CG2 3.49Å; N32-T51 PolarHBondContact OD1-OG1 2.8Å; N32-H71 HydrophobicContact CB-CB 4.02Å; N32-H71 PolarHBondContact N-O 2.8Å; N32-H71 PolarHBondContact O-N 3.19Å; N32-L73 VanDerWaalsContact ND2-CD1 3.33Å; N32-L73 WeakPolarHBondContact ND2-CD1 3.39Å |
| 33 | I | 93.1 | Very high | 85.6 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.6 | 172.1 | -59.5 | 167 | 0 | 0 | 0 | 107.2 | Q48 V62 R68 L70 | I33-Q48 PolarHBondContact O-N 2.74Å; I33-V62 HydrophobicContact CD1-CG1 3.64Å; I33-V62 HydrophobicContact CD1-CG2 4.28Å; I33-V62 HydrophobicContact CG1-CG1 4.24Å; I33-R68 HydrophobicContact CG2-CB 4.34Å; I33-R68 HydrophobicContact CG2-CG 4.41Å; I33-L70 HydrophobicContact CG1-CD2 4.11Å |
| 34 | K | 92.8 | Very high | 86.9 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.8 | -177.8 | -60.4 | -175.5 | 171.5 | 175.8 | 0 | 110.5 | N32 L45 V46 Q47 R68 V69 H71 | N32-K34 HydrophobicContact CB-CG 4.45Å; K34-L45 HydrophobicContact CB-CB 4.13Å; K34-L45 HydrophobicContact CD-CB 4.05Å; K34-V46 CarbonylContact C-O 3.42Å; K34-V46 WeakPolarHBondContact CA-O 3.34Å; K34-Q47 HydrophobicContact CG-CB 4.32Å; K34-R68 CarbonylContact O-C 3.39Å; K34-R68 VanDerWaalsContact O-CA 3.23Å; K34-R68 WeakPolarHBondContact O-CA 3.45Å; K34-V69 HydrophobicContact CB-CG2 3.87Å; K34-V69 PolarHBondContact N-O 3.39Å; K34-V69 PolarHBondContact O-N 3.08Å; K34-H71 HydrophobicContact CD-CB 4.05Å; K34-H71 VanDerWaalsContact CE-ND1 3.31Å; K34-H71 WeakPolarHBondContact CE-ND1 3.49Å; K34-H71 HydrophobicContact CG-CB 4.4Å; K34-H71 PolarHBondContact NZ-CE1 2.83Å; K34-H71 PolarHBondContact NZ-ND1 2.86Å |
| 35 | K | 91.6 | Very high | 88 | Confident | 81 Ų | 81 | 81 Ų | 81 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.8 | 171.6 | 173.6 | 171.8 | 179.1 | -179.5 | 0 | 109.6 | V37 L45 V46 Q48 E67 | K35-V37 HydrophobicContact CG-CG2 4.18Å; K35-L45 WeakPolarHBondContact O-CA 3.45Å; K35-V46 PolarHBondContact N-O 2.88Å; K35-V46 PolarHBondContact O-N 3.01Å; K35-Q48 HydrophobicContact CB-CG 3.56Å; K35-E67 CarbonylContact C-O 3.58Å; K35-E67 WeakPolarHBondContact CA-O 3.49Å; K35-E67 HydrophobicContact CD-CG 4.13Å; K35-E67 HydrophobicContact CG-CG 3.94Å |
| 36 | R | 88.5 | Confident | 89 | Confident | 125 Ų | 125 | 74.7 Ų | 74.7 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.3 | 169.5 | -169.7 | -177.7 | -69.1 | -106.6 | -0.6 | 109.1 | V43 L45 E67 | R36-V43 HydrophobicContact CG-CG1 3.27Å; R36-L45 HydrophobicContact CB-CD2 4.17Å; R36-L45 HydrophobicContact CG-CD2 4.49Å; R36-E67 PolarHBondContact N-O 2.78Å |
| 37 | V | 89.1 | Confident | 89.3 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.1 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108 | K35 R44 V46 | K35-V37 HydrophobicContact CG-CG2 4.18Å; V37-R44 PolarHBondContact N-O 3.17Å; V37-R44 PolarHBondContact O-N 2.87Å; V37-V46 HydrophobicContact CB-CG2 4.16Å; V37-V46 HydrophobicContact CG2-CB 4.15Å; V37-V46 HydrophobicContact CG2-CG2 3.74Å |
| 38 | Q | 86.7 | Confident | 88.9 | Confident | 157 Ų | 157 | 76.9 Ų | 76.9 | 73% | 0.734 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.3 | 176.5 | -173.4 | 171.3 | -2.4 | 0 | 0 | 108.8 | ||
| 39 | E | 83.9 | Confident | 88.6 | Confident | 96 Ų | 96 | 76 Ų | 76 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 118.9 | -177.4 | -173.8 | -177.5 | -155 | 0 | 0 | 107.6 | S41 R42 R44 | E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.86Å; E39-S41 VanDerWaalsContact O-N 3.15Å; E39-R42 PolarHBondContact N-O 3.06Å; E39-R42 WeakPolarHBondContact O-CA 3.1Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-O 3.07Å; E39-R44 IonicContact OE2-CZ 3.95Å; E39-R44 IonicContact OE2-NH1 2.74Å; E39-R44 PolarHBondContact OE2-NH1 2.71Å |
| 40 | D | 80.3 | Confident | 88.6 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 80% | 0.797 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 49.8 | 175 | -58 | -34.8 | 0 | 0 | 0 | 115.1 | R42 | D40-R42 PolarHBondContact O-N 3.3Š|
| 41 | S | 81.1 | Confident | 88.5 | Confident | 118 Ų | 118 | 87.4 Ų | 87.4 | 83% | 0.825 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 0.7 | -176.7 | -46.6 | 0 | 0 | 0 | 0 | 116.5 | E39 | E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.86Å; E39-S41 VanDerWaalsContact O-N 3.15Å |
| 42 | R | 84.9 | Confident | 88.4 | Confident | 179 Ų | 179 | 89.3 Ų | 89.3 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.1 | 171.8 | -65.5 | -177.3 | 177.8 | -174.1 | -0.1 | 110.4 | E39 D40 | E39-R42 PolarHBondContact N-O 3.06Å; E39-R42 WeakPolarHBondContact O-CA 3.1Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-O 3.07Å; D40-R42 PolarHBondContact O-N 3.3Å |
| 43 | V | 85.3 | Confident | 88.3 | Confident | 77 Ų | 77 | 95 Ų | 95 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123 | 172.7 | 178 | 0 | 0 | 0 | 0 | 108.8 | R36 | R36-V43 HydrophobicContact CG-CG1 3.27Å |
| 44 | R | 89.9 | Confident | 88.2 | Confident | 134 Ų | 134 | 95.2 Ų | 95.2 | 51% | 0.506 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.2 | 177 | -73.3 | 176.5 | 158.9 | 175.4 | -8.7 | 110.4 | V37 E39 | V37-R44 PolarHBondContact N-O 3.17Å; V37-R44 PolarHBondContact O-N 2.87Å; E39-R44 IonicContact OE2-CZ 3.95Å; E39-R44 IonicContact OE2-NH1 2.74Å; E39-R44 PolarHBondContact OE2-NH1 2.71Å |
| 45 | L | 89.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 97 Ų | 97 | 34% | 0.335 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.9 | 172.3 | -66.7 | -180 | 0 | 0 | 0 | 108.9 | K34 K35 R36 V69 L85 | K34-L45 HydrophobicContact CB-CB 4.13Å; K34-L45 HydrophobicContact CD-CB 4.05Å; K35-L45 WeakPolarHBondContact O-CA 3.45Å; R36-L45 HydrophobicContact CB-CD2 4.17Å; R36-L45 HydrophobicContact CG-CD2 4.49Å; L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; L45-L85 HydrophobicContact CD1-CD1 4.15Å; L45-L85 HydrophobicContact CD1-CD2 4.1Å |
| 46 | V | 91.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 39% | 0.394 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.5 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | K34 K35 V37 Q48 | K34-V46 CarbonylContact C-O 3.42Å; K34-V46 WeakPolarHBondContact CA-O 3.34Å; K35-V46 PolarHBondContact N-O 2.88Å; K35-V46 PolarHBondContact O-N 3.01Å; V37-V46 HydrophobicContact CB-CG2 4.16Å; V37-V46 HydrophobicContact CG2-CB 4.15Å; V37-V46 HydrophobicContact CG2-CG2 3.74Å; V46-Q48 PolarHBondContact O-N 2.68Å |
| 47 | Q | 88.9 | Confident | 88 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127.3 | 174.9 | 178.9 | 166.8 | -31.5 | 0 | 0 | 110.2 | N32 K34 G49 T51 | N32-Q47 PolarHBondContact OD1-NE2 2.92Å; N32-Q47 PolarHBondContact OD1-OE1 3.07Å; K34-Q47 HydrophobicContact CG-CB 4.32Å; Q47-G49 PolarHBondContact NE2-O 2.72Å; Q47-G49 VanDerWaalsContact NE2-O 3.17Å; Q47-T51 PolarHBondContact NE2-OG1 3.44Å |
| 48 | Q | 81.5 | Confident | 88 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | trans | -106.6 | 108.8 | 179.1 | -70.9 | -71.5 | -36.8 | 0 | 0 | 108.4 | I33 K35 V46 | I33-Q48 PolarHBondContact O-N 2.74Å; K35-Q48 HydrophobicContact CB-CG 3.56Å; V46-Q48 PolarHBondContact O-N 2.68Å | ||
| 49 | G | 86.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 95.1 Ų | 95.1 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 79.4 | -167.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q47 | Q47-G49 PolarHBondContact NE2-O 2.72Å; Q47-G49 VanDerWaalsContact NE2-O 3.17Å |
| 50 | R | 92 | Very high | 88.3 | Confident | 200 Ų | 200 | 92.8 Ų | 92.8 | 76% | 0.755 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 154.2 | -175.2 | 67.7 | 179.9 | 179.4 | -175.6 | -0.5 | 112.6 | H52 | R50-H52 PolarHBondContact O-CD2 3.12Š|
| 51 | T | 92.9 | Very high | 88.8 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 131.4 | 164.4 | -52.2 | 0 | 0 | 0 | 0 | 109.5 | A30 N32 Q47 | A30-T51 HydrophobicContact CB-CG2 3.8Å; N32-T51 WeakPolarHBondContact OD1-CA 3.23Å; N32-T51 WeakPolarHBondContact OD1-CB 3.24Å; N32-T51 VanDerWaalsContact OD1-CG2 3.24Å; N32-T51 WeakPolarHBondContact OD1-CG2 3.49Å; N32-T51 PolarHBondContact OD1-OG1 2.8Å; Q47-T51 PolarHBondContact NE2-OG1 3.44Å |
| 52 | H | 92.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 145.3 | 172.6 | -64.8 | -84.3 | 0 | 0 | 0 | 109.6 | A30 L31 R50 P54 F60 | A30-H52 CarbonylContact C-O 3.59Å; A30-H52 WeakPolarHBondContact CA-O 3.47Å; L31-H52 HydrophobicContact CB-CB 4.27Å; L31-H52 PolarHBondContact N-O 2.8Å; L31-H52 PolarHBondContact O-N 3.26Å; R50-H52 PolarHBondContact O-CD2 3.12Å; H52-P54 VanDerWaalsContact C-CD 3.49Å; H52-P54 WeakPolarHBondContact O-CD 3.36Å; H52-F60 HydrophobicContact CB-CE1 4.31Å; H52-F60 HydrophobicContact CB-CE2 4.22Å; H52-F60 HydrophobicContact CB-CZ 3.93Å; H52-F60 AromaticContact CD2-CZ 3.63Å; H52-F60 AromaticContact CE1-CE2 3.84Å; H52-F60 AromaticContact CE1-CZ 3.42Å; H52-F60 VanDerWaalsContact CE1-CZ 3.42Å; H52-F60 WeakPolarHBondContact CE1-CZ 3.49Å; H52-F60 AromaticContact CG-CE2 3.8Å; H52-F60 AromaticContact CG-CZ 3.32Å; H52-F60 AromaticContact ND1-CE2 3.35Å; H52-F60 WeakPolarHBondContact ND1-CE2 3.14Å; H52-F60 AromaticContact ND1-CZ 3.2Å; H52-F60 WeakPolarHBondContact ND1-CZ 3.25Å; H52-F60 AromaticContact NE2-CZ 3.68Å |
| 53 | H | 92.5 | Very high | 89.4 | Confident | 134 Ų | 134 | 79.6 Ų | 79.6 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | trans | -119.6 | 77.8 | 175.3 | -60.1 | 95.5 | 0 | 0 | 0 | 109.2 | T55 | H53-T55 PolarHBondContact O-N 2.81Š| ||
| 54 | P | 91 | Very high | 89.4 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 130.5 | -179.6 | -20.4 | 34.8 | 0 | 0 | 0 | 110.7 | F12 C29 L31 H52 F60 | F12-P54 HydrophobicContact CD2-CB 3.95Å; F12-P54 HydrophobicContact CD2-CG 4.24Å; F12-P54 HydrophobicContact CE2-CB 3.96Å; F12-P54 HydrophobicContact CE2-CG 3.72Å; C29-P54 WeakPolarHBondContact O-CD 3.14Å; L31-P54 HydrophobicContact CB-CG 4.08Å; L31-P54 HydrophobicContact CD2-CG 4.42Å; H52-P54 VanDerWaalsContact C-CD 3.49Å; H52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-F60 HydrophobicContact CB-CB 4.42Å; P54-F60 HydrophobicContact CG-CB 4.43Å; P54-F60 HydrophobicContact CG-CG 4.41Å |
| 55 | T | 90.4 | Very high | 89.1 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 141.9 | 169.9 | -40.6 | 0 | 0 | 0 | 0 | 109.9 | H53 R58 | H53-T55 PolarHBondContact O-N 2.81Å; T55-R58 HydrophobicContact CG2-CG 4.38Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T55-R58 PolarHBondContact O-N 3.44Å; T55-R58 VanDerWaalsContact O-N 3.11Å |
| 56 | W | 90.6 | Very high | 88.6 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 26% | 0.258 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 143.7 | 168.7 | -65.3 | 107.6 | 0 | 0 | 0 | 111.7 | F12 A15 L27 C29 R58 L74 L113 | F12-W56 HydrophobicContact CB-CE3 3.81Å; F12-W56 HydrophobicContact CB-CZ3 3.77Å; A15-W56 HydrophobicContact CB-CH2 3.83Å; A15-W56 HydrophobicContact CB-CZ2 4.47Å; L27-W56 HydrophobicContact CB-CZ2 4.33Å; L27-W56 PolarHBondContact O-NE1 2.96Å; C29-W56 WeakPolarHBondContact SG-CH2 3.45Å; C29-W56 WeakPolarHBondContact SG-CZ2 3.23Å; W56-R58 PolarHBondContact O-N 2.86Å; W56-L74 HydrophobicContact CH2-CD1 4.19Å; W56-L74 HydrophobicContact CZ2-CD1 4Å; W56-L113 HydrophobicContact CH2-CD1 3.44Å; W56-L113 VanDerWaalsContact CH2-CD1 3.44Å; W56-L113 HydrophobicContact CZ3-CD1 3.53Å |
| 57 | E | 87.8 | Confident | 88.3 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 7.3 | -179.4 | -66.4 | -70.2 | 105.2 | 0 | 0 | 115.3 | K11 F12 V13 | K11-E57 VanDerWaalsContact CE-C 3.5Å; K11-E57 VanDerWaalsContact CE-O 3.22Å; K11-E57 WeakPolarHBondContact CE-O 3.46Å; K11-E57 VanDerWaalsContact CE-OE1 3.24Å; K11-E57 WeakPolarHBondContact CE-OE1 3.44Å; K11-E57 WeakPolarHBondContact CE-OE2 3.23Å; K11-E57 IonicContact NZ-OE1 2.71Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 3.11Å; F12-E57 PolarHBondContact O-N 2.97Å; V13-E57 WeakPolarHBondContact CA-OE1 3.36Å; V13-E57 WeakPolarHBondContact CG1-OE1 3.48Å |
| 58 | R | 89.6 | Confident | 88.3 | Confident | 170 Ų | 170 | 73.6 Ų | 73.6 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | trans | -103.5 | 146.1 | 173.1 | -62.6 | -163.1 | 176.3 | -174.6 | -2.3 | 111.6 | T55 W56 | T55-R58 HydrophobicContact CG2-CG 4.38Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T55-R58 PolarHBondContact O-N 3.44Å; T55-R58 VanDerWaalsContact O-N 3.11Å; W56-R58 PolarHBondContact O-N 2.86Å | ||
| 59 | C | 88.1 | Confident | 88.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 140.6 | 177.7 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | R9 V10 | R9-C59 HydrophobicContact CG-CB 3.77Å; V10-C59 CarbonylContact O-C 3.52Å; V10-C59 WeakPolarHBondContact O-CA 3.46Å |
| 60 | F | 88.1 | Confident | 89.2 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.6 | 172.8 | -178.6 | -106.2 | 0 | 0 | 0 | 108.8 | V10 L31 H52 P54 V62 | V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 2.82Å; L31-F60 HydrophobicContact CD2-CD1 3.56Å; L31-F60 HydrophobicContact CD2-CE1 3.63Å; H52-F60 HydrophobicContact CB-CE1 4.31Å; H52-F60 HydrophobicContact CB-CE2 4.22Å; H52-F60 HydrophobicContact CB-CZ 3.93Å; H52-F60 AromaticContact CD2-CZ 3.63Å; H52-F60 AromaticContact CE1-CE2 3.84Å; H52-F60 AromaticContact CE1-CZ 3.42Å; H52-F60 VanDerWaalsContact CE1-CZ 3.42Å; H52-F60 WeakPolarHBondContact CE1-CZ 3.49Å; H52-F60 AromaticContact CG-CE2 3.8Å; H52-F60 AromaticContact CG-CZ 3.32Å; H52-F60 AromaticContact ND1-CE2 3.35Å; H52-F60 WeakPolarHBondContact ND1-CE2 3.14Å; H52-F60 AromaticContact ND1-CZ 3.2Å; H52-F60 WeakPolarHBondContact ND1-CZ 3.25Å; H52-F60 AromaticContact NE2-CZ 3.68Å; P54-F60 HydrophobicContact CB-CB 4.42Å; P54-F60 HydrophobicContact CG-CB 4.43Å; P54-F60 HydrophobicContact CG-CG 4.41Å; F60-V62 HydrophobicContact CD1-CG2 3.53Å; F60-V62 HydrophobicContact CE1-CG2 3.35Å; F60-V62 HydrophobicContact CZ-CG2 4.42Å |
| 61 | D | 91 | Very high | 89.3 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.2 | -175.2 | -74.8 | -12 | 0 | 0 | 0 | 110.5 | V7 R9 | V7-D61 HydrophobicContact CG1-CB 3.73Å; R9-D61 WeakPolarHBondContact CA-OD1 3.4Å; R9-D61 VanDerWaalsContact CB-OD1 3.25Å; R9-D61 WeakPolarHBondContact CB-OD1 3.43Å; R9-D61 VanDerWaalsContact CG-OD1 3.24Å; R9-D61 WeakPolarHBondContact CG-OD1 3.31Å; R9-D61 IonicContact CZ-OD1 2.69Å; R9-D61 IonicContact CZ-OD2 3.54Å; R9-D61 IonicContact NE-OD1 3.55Å; R9-D61 PolarHBondContact NE-OD1 2.95Å; R9-D61 IonicContact NE-OD2 3.44Å; R9-D61 IonicContact NH2-OD1 2.67Å; R9-D61 PolarHBondContact NH2-OD1 2.96Å; R9-D61 IonicContact NH2-OD2 3.45Å; R9-D61 PolarHBondContact NH2-OD2 2.92Å |
| 62 | V | 88.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.3 | 178.6 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | L8 L31 I33 F60 V64 L70 F88 | L8-V62 PolarHBondContact N-O 2.9Å; L8-V62 PolarHBondContact O-N 3.21Å; L31-V62 HydrophobicContact CD2-CG2 4.48Å; I33-V62 HydrophobicContact CD1-CG1 3.64Å; I33-V62 HydrophobicContact CD1-CG2 4.28Å; I33-V62 HydrophobicContact CG1-CG1 4.24Å; F60-V62 HydrophobicContact CD1-CG2 3.53Å; F60-V62 HydrophobicContact CE1-CG2 3.35Å; F60-V62 HydrophobicContact CZ-CG2 4.42Å; V62-V64 PolarHBondContact O-N 2.93Å; V62-L70 HydrophobicContact CG1-CD2 4.19Å; V62-L70 HydrophobicContact CG2-CD2 4.38Å; V62-F88 HydrophobicContact CB-CE1 4.27Å; V62-F88 HydrophobicContact CB-CZ 4.4Å; V62-F88 HydrophobicContact CG1-CE1 3.95Å; V62-F88 HydrophobicContact CG1-CZ 3.61Å |
| 63 | R | 88.7 | Confident | 89.5 | Confident | 98 Ų | 98 | 56 Ų | 56 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121.6 | 171.9 | -167 | 177.6 | -174.7 | 103.3 | 5.6 | 109.6 | R65 E122 | R63-R65 PolarHBondContact O-N 3.33Å; R63-E122 IonicContact CZ-OE1 2.87Å; R63-E122 IonicContact CZ-OE2 3.65Å; R63-E122 IonicContact NH1-OE1 3.68Å; R63-E122 PolarHBondContact NH1-OE1 3.19Å; R63-E122 IonicContact NH1-OE2 3.61Å; R63-E122 PolarHBondContact NH1-OE2 3.34Å; R63-E122 IonicContact NH2-OE1 3.8Å; R63-E122 IonicContact NH2-OE2 2.84Å; R63-E122 PolarHBondContact NH2-OE2 3.17Å |
| 64 | V | 85.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -70.8 | 125.2 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | G6 L8 V62 F88 L92 | G6-V64 WeakPolarHBondContact O-CB 3.3Å; G6-V64 PolarHBondContact O-N 2.84Å; L8-V64 HydrophobicContact CB-CG2 3.59Å; V62-V64 PolarHBondContact O-N 2.93Å; V64-F88 HydrophobicContact CB-CD1 4.46Å; V64-F88 HydrophobicContact CG1-CB 4.07Å; V64-F88 HydrophobicContact CG1-CD1 4.25Å; V64-F88 HydrophobicContact CG1-CG 4.17Å; V64-F88 HydrophobicContact CG2-CD1 4Å; V64-F88 HydrophobicContact CG2-CE1 4.39Å; V64-L92 HydrophobicContact CG1-CD1 4.1Å | ||
| 65 | R | 84.1 | Confident | 89.7 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 32% | 0.317 | 23% | 0.234 | S | C | . | . | trans | -137.4 | 136.1 | 166.4 | -62.6 | -165.3 | 174.4 | 84.8 | -8.2 | 109.1 | R63 E67 R68 | R63-R65 PolarHBondContact O-N 3.33Å; R65-E67 VanDerWaalsContact CB-OE1 3.3Å; R65-E67 WeakPolarHBondContact CB-OE1 3.27Å; R65-E67 WeakPolarHBondContact CB-OE2 3.39Å; R65-E67 WeakPolarHBondContact CD-OE1 3.29Å; R65-E67 PolarHBondContact O-N 2.89Å; R65-R68 HydrophobicContact CB-CG 4.08Å; R65-R68 PolarHBondContact O-N 2.81Å; R65-R68 VanDerWaalsContact O-N 3.11Å | ||
| 66 | P | 79.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 48 Ų | 48 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.3 | -173.2 | 23.9 | -33.4 | 0 | 0 | 0 | 112.7 | R68 | P66-R68 PolarHBondContact O-N 2.85Š|
| 67 | E | 84.6 | Confident | 89.5 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.3 | -180 | 77.3 | -70.5 | 167.4 | 0 | 0 | 114.6 | K35 R36 R65 | K35-E67 CarbonylContact C-O 3.58Å; K35-E67 WeakPolarHBondContact CA-O 3.49Å; K35-E67 HydrophobicContact CD-CG 4.13Å; K35-E67 HydrophobicContact CG-CG 3.94Å; R36-E67 PolarHBondContact N-O 2.78Å; R65-E67 VanDerWaalsContact CB-OE1 3.3Å; R65-E67 WeakPolarHBondContact CB-OE1 3.27Å; R65-E67 WeakPolarHBondContact CB-OE2 3.39Å; R65-E67 WeakPolarHBondContact CD-OE1 3.29Å; R65-E67 PolarHBondContact O-N 2.89Å |
| 68 | R | 89.6 | Confident | 89.3 | Confident | 52 Ų | 52 | 53 Ų | 53 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 151.7 | -177.2 | -64.1 | -177.9 | -176.1 | -150.3 | -6.3 | 112.3 | I33 K34 R65 P66 F88 | I33-R68 HydrophobicContact CG2-CB 4.34Å; I33-R68 HydrophobicContact CG2-CG 4.41Å; K34-R68 CarbonylContact O-C 3.39Å; K34-R68 VanDerWaalsContact O-CA 3.23Å; K34-R68 WeakPolarHBondContact O-CA 3.45Å; R65-R68 HydrophobicContact CB-CG 4.08Å; R65-R68 PolarHBondContact O-N 2.81Å; R65-R68 VanDerWaalsContact O-N 3.11Å; P66-R68 PolarHBondContact O-N 2.85Å; R68-F88 HydrophobicContact CB-CD2 4.25Å; R68-F88 HydrophobicContact CB-CE2 3.65Å; R68-F88 VanDerWaalsContact O-CD2 3.24Å; R68-F88 WeakPolarHBondContact O-CD2 3.35Å |
| 69 | V | 92.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.5 | 171.8 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | K34 L45 L85 R87 | K34-V69 HydrophobicContact CB-CG2 3.87Å; K34-V69 PolarHBondContact N-O 3.39Å; K34-V69 PolarHBondContact O-N 3.08Å; L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; V69-L85 HydrophobicContact CG2-CD2 4.44Å; V69-R87 HydrophobicContact CG1-CG 4.12Å |
| 70 | L | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.1 | 171.9 | -62.2 | -178.3 | 0 | 0 | 0 | 108.2 | L8 V10 L31 I33 V62 V86 F88 L91 | L8-L70 HydrophobicContact CD2-CD1 4.49Å; V10-L70 HydrophobicContact CG2-CD1 4.4Å; L31-L70 HydrophobicContact CD1-CB 4Å; L31-L70 HydrophobicContact CD1-CD2 4.14Å; I33-L70 HydrophobicContact CG1-CD2 4.11Å; V62-L70 HydrophobicContact CG1-CD2 4.19Å; V62-L70 HydrophobicContact CG2-CD2 4.38Å; L70-V86 HydrophobicContact CB-CB 4.44Å; L70-V86 PolarHBondContact N-O 2.79Å; L70-V86 PolarHBondContact O-N 3.37Å; L70-F88 HydrophobicContact CD1-CE1 4.06Å; L70-F88 HydrophobicContact CD1-CZ 4.27Å; L70-F88 HydrophobicContact CD2-CE1 4.03Å; L70-F88 HydrophobicContact CD2-CE2 4.17Å; L70-F88 HydrophobicContact CD2-CZ 3.47Å; L70-F88 VanDerWaalsContact CD2-CZ 3.47Å; L70-F88 HydrophobicContact CG-CE1 4.03Å; L70-F88 HydrophobicContact CG-CE2 4.2Å; L70-F88 HydrophobicContact CG-CZ 3.73Å; L70-L91 HydrophobicContact CD1-CD1 3.97Å |
| 71 | H | 95.1 | Very high | 89.5 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 104.9 | 170.5 | -177.8 | -152.2 | 0 | 0 | 0 | 108.4 | N32 K34 D83 A84 L85 | N32-H71 HydrophobicContact CB-CB 4.02Å; N32-H71 PolarHBondContact N-O 2.8Å; N32-H71 PolarHBondContact O-N 3.19Å; K34-H71 HydrophobicContact CD-CB 4.05Å; K34-H71 VanDerWaalsContact CE-ND1 3.31Å; K34-H71 WeakPolarHBondContact CE-ND1 3.49Å; K34-H71 HydrophobicContact CG-CB 4.4Å; K34-H71 PolarHBondContact NZ-CE1 2.83Å; K34-H71 PolarHBondContact NZ-ND1 2.86Å; H71-D83 IonicContact CD2-OD2 2.7Å; H71-D83 IonicContact CE1-OD2 3.39Å; H71-D83 IonicContact NE2-OD2 3.5Å; H71-D83 PolarHBondContact NE2-OD2 2.82Å; H71-A84 CarbonylContact C-O 3.55Å; H71-A84 WeakPolarHBondContact CA-O 3.4Å; H71-A84 PolarHBondContact CD2-O 2.81Å; H71-L85 HydrophobicContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CD2-CD2 3.46Å; H71-L85 WeakPolarHBondContact CD2-CD2 3.25Å |
| 72 | I | 95.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.6 | -178.2 | -57.7 | 165.3 | 0 | 0 | 0 | 107.7 | F12 L31 D83 A84 V86 V105 L113 | F12-I72 HydrophobicContact CE1-CD1 4.11Å; F12-I72 HydrophobicContact CE1-CG1 4.47Å; F12-I72 HydrophobicContact CZ-CD1 4.31Å; F12-I72 HydrophobicContact CZ-CG1 4.17Å; F12-I72 HydrophobicContact CZ-CG2 4.13Å; L31-I72 HydrophobicContact CD1-CG1 3.71Å; I72-D83 CarbonylContact O-C 3.53Å; I72-D83 WeakPolarHBondContact O-CA 3.46Å; I72-D83 WeakPolarHBondContact O-CB 3.24Å; I72-A84 PolarHBondContact N-O 2.93Å; I72-A84 PolarHBondContact O-N 2.73Å; I72-V86 HydrophobicContact CD1-CG2 4.15Å; I72-V105 HydrophobicContact CD1-CG1 4.49Å; I72-L113 HydrophobicContact CD1-CD2 4.36Å; I72-L113 HydrophobicContact CG2-CD2 3.7Å |
| 73 | L | 94.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.2 | 172.3 | -59.3 | 91.4 | 0 | 0 | 0 | 108.6 | C29 A30 N32 P80 D83 | C29-L73 CarbonylContact C-O 3.6Å; C29-L73 VanDerWaalsContact CA-O 3.31Å; C29-L73 WeakPolarHBondContact CA-O 3.34Å; A30-L73 HydrophobicContact CB-CB 4.26Å; A30-L73 HydrophobicContact CB-CD1 4.46Å; A30-L73 PolarHBondContact N-O 2.83Å; A30-L73 PolarHBondContact O-N 3.43Å; N32-L73 VanDerWaalsContact ND2-CD1 3.33Å; N32-L73 WeakPolarHBondContact ND2-CD1 3.39Å; L73-P80 HydrophobicContact CD2-CB 4.36Å; L73-D83 HydrophobicContact CG-CB 4.29Å |
| 74 | L | 94.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.6 | 167 | -173.2 | 68.5 | 0 | 0 | 0 | 107.6 | A15 L17 L27 W56 I81 A82 L107 | A15-L74 HydrophobicContact CB-CD1 3.91Å; A15-L74 HydrophobicContact CB-CD2 3.84Å; L17-L74 HydrophobicContact CD2-CD2 3.71Å; L17-L74 HydrophobicContact CG-CD2 4.35Å; L27-L74 HydrophobicContact CB-CD1 4.44Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; L27-L74 HydrophobicContact CD2-CD2 4.33Å; L27-L74 HydrophobicContact CD2-CG 4.15Å; W56-L74 HydrophobicContact CH2-CD1 4.19Å; W56-L74 HydrophobicContact CZ2-CD1 4Å; L74-I81 HydrophobicContact CB-CG1 4.33Å; L74-I81 HydrophobicContact CD2-CD1 3.94Å; L74-I81 HydrophobicContact CD2-CG1 4.3Å; L74-I81 HydrophobicContact CG-CD1 4.05Å; L74-I81 HydrophobicContact CG-CG1 4.1Å; L74-I81 VanDerWaalsContact O-CG1 3.22Å; L74-I81 WeakPolarHBondContact O-CG1 3.26Å; L74-I81 PolarHBondContact O-N 2.84Å; L74-A82 HydrophobicContact CB-CB 4.46Å; L74-A82 PolarHBondContact N-O 2.81Å; L74-A82 PolarHBondContact O-N 3.48Å; L74-L107 HydrophobicContact CB-CD1 4.15Å; L74-L107 HydrophobicContact CD2-CD1 3.71Å |
| 75 | T | 91.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.9 | -178.7 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | L27 Q28 R79 P80 | L27-T75 WeakPolarHBondContact CA-O 3.3Å; Q28-T75 PolarHBondContact N-O 3.11Å; Q28-T75 PolarHBondContact O-N 3.24Å; Q28-T75 PolarHBondContact O-OG1 3.25Å; T75-R79 CarbonylContact C-O 3.57Å; T75-R79 WeakPolarHBondContact CA-O 3.15Å; T75-P80 HydrophobicContact CG2-CB 4.37Å |
| 76 | D | 89.8 | Confident | 90.9 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120 | 165.3 | 177.2 | 21.6 | 0 | 0 | 0 | 107.9 | P24 L27 E78 R79 I81 | P24-D76 HydrophobicContact CB-CB 4.07Å; P24-D76 WeakPolarHBondContact CB-OD2 3.16Å; L27-D76 HydrophobicContact CD2-CB 4.32Å; D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.36Å; D76-R79 PolarHBondContact N-O 2.85Å; D76-R79 WeakPolarHBondContact O-CB 3.42Å; D76-R79 PolarHBondContact O-N 2.85Å; D76-I81 HydrophobicContact CB-CD1 4.23Å; D76-I81 HydrophobicContact CB-CG2 3.95Å |
| 77 | S | 87 | Confident | 91.3 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 58% | 0.58 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 49.6 | -179.1 | -51.9 | 0 | 0 | 0 | 0 | 112.6 | D26 R79 | D26-S77 PolarHBondContact O-N 3.14Å; S77-R79 PolarHBondContact O-N 2.92Å |
| 78 | E | 84.2 | Confident | 91.4 | Very high | 170 Ų | 170 | 50.8 Ų | 50.8 | 79% | 0.794 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -6 | -175.2 | -53.6 | -172.3 | 168.3 | 0 | 0 | 116.7 | D76 | D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.36Å |
| 79 | R | 88.3 | Confident | 91.1 | Very high | 188 Ų | 188 | 53 Ų | 53 | 71% | 0.709 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.8 | 174.5 | -174.8 | -177.9 | 176.9 | -156.3 | -0.6 | 110.2 | T75 D76 S77 I81 | T75-R79 CarbonylContact C-O 3.57Å; T75-R79 WeakPolarHBondContact CA-O 3.15Å; D76-R79 PolarHBondContact N-O 2.85Å; D76-R79 WeakPolarHBondContact O-CB 3.42Å; D76-R79 PolarHBondContact O-N 2.85Å; S77-R79 PolarHBondContact O-N 2.92Å; R79-I81 PolarHBondContact O-N 2.84Å |
| 80 | P | 89.6 | Confident | 90.8 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125 | 173.6 | 27.5 | -32.8 | 0 | 0 | 0 | 110.3 | L73 T75 | L73-P80 HydrophobicContact CD2-CB 4.36Å; T75-P80 HydrophobicContact CG2-CB 4.37Å |
| 81 | I | 91.6 | Very high | 90.5 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -29.7 | -179.4 | 55.8 | 165.9 | 0 | 0 | 0 | 112.4 | L17 L27 L74 D76 R79 | L17-I81 HydrophobicContact CD1-CD1 3.61Å; L17-I81 HydrophobicContact CD2-CD1 4.02Å; L17-I81 HydrophobicContact CG-CD1 4.41Å; L27-I81 HydrophobicContact CD2-CD1 3.66Å; L74-I81 HydrophobicContact CB-CG1 4.33Å; L74-I81 HydrophobicContact CD2-CD1 3.94Å; L74-I81 HydrophobicContact CD2-CG1 4.3Å; L74-I81 HydrophobicContact CG-CD1 4.05Å; L74-I81 HydrophobicContact CG-CG1 4.1Å; L74-I81 VanDerWaalsContact O-CG1 3.22Å; L74-I81 WeakPolarHBondContact O-CG1 3.26Å; L74-I81 PolarHBondContact O-N 2.84Å; D76-I81 HydrophobicContact CB-CD1 4.23Å; D76-I81 HydrophobicContact CB-CG2 3.95Å; R79-I81 PolarHBondContact O-N 2.84Å |
| 82 | A | 93.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 155.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L74 L107 Q108 | L74-A82 HydrophobicContact CB-CB 4.46Å; L74-A82 PolarHBondContact N-O 2.81Å; L74-A82 PolarHBondContact O-N 3.48Å; A82-L107 HydrophobicContact CB-CB 3.88Å; A82-L107 HydrophobicContact CB-CD1 4.3Å; A82-Q108 CarbonylContact C-O 3.54Å; A82-Q108 WeakPolarHBondContact CA-O 3.36Å; A82-Q108 VanDerWaalsContact CB-O 3.3Å; A82-Q108 WeakPolarHBondContact CB-O 3.42Å |
| 83 | D | 94.5 | Very high | 89.3 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 166.6 | 179.2 | 79 | -37.2 | 0 | 0 | 0 | 113.6 | H71 I72 L73 L107 Q108 | H71-D83 IonicContact CD2-OD2 2.7Å; H71-D83 IonicContact CE1-OD2 3.39Å; H71-D83 IonicContact NE2-OD2 3.5Å; H71-D83 PolarHBondContact NE2-OD2 2.82Å; I72-D83 CarbonylContact O-C 3.53Å; I72-D83 WeakPolarHBondContact O-CA 3.46Å; I72-D83 WeakPolarHBondContact O-CB 3.24Å; L73-D83 HydrophobicContact CG-CB 4.29Å; D83-L107 CarbonylContact O-C 3.55Å; D83-L107 WeakPolarHBondContact O-CA 3.36Å; D83-Q108 PolarHBondContact N-O 2.83Å; D83-Q108 PolarHBondContact O-N 3.49Å |
| 84 | A | 94.4 | Very high | 88.8 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 138.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H71 I72 V86 V105 H106 L107 | H71-A84 CarbonylContact C-O 3.55Å; H71-A84 WeakPolarHBondContact CA-O 3.4Å; H71-A84 PolarHBondContact CD2-O 2.81Å; I72-A84 PolarHBondContact N-O 2.93Å; I72-A84 PolarHBondContact O-N 2.73Å; A84-V86 HydrophobicContact CB-CG2 4.29Å; A84-V105 HydrophobicContact CB-CG1 3.61Å; A84-H106 WeakPolarHBondContact CB-O 3.31Å; A84-L107 HydrophobicContact CB-CD2 3.86Å |
| 85 | L | 93.2 | Very high | 88 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 53% | 0.534 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.5 | 168.6 | -71.4 | 170.6 | 0 | 0 | 0 | 109.2 | L45 V69 H71 | L45-L85 HydrophobicContact CD1-CD1 4.15Å; L45-L85 HydrophobicContact CD1-CD2 4.1Å; V69-L85 HydrophobicContact CG2-CD2 4.44Å; H71-L85 HydrophobicContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CD2-CD2 3.46Å; H71-L85 WeakPolarHBondContact CD2-CD2 3.25Å |
| 86 | V | 91.8 | Very high | 86.8 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.9 | -175.1 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | L70 I72 A84 L91 V105 | L70-V86 HydrophobicContact CB-CB 4.44Å; L70-V86 PolarHBondContact N-O 2.79Å; L70-V86 PolarHBondContact O-N 3.37Å; I72-V86 HydrophobicContact CD1-CG2 4.15Å; A84-V86 HydrophobicContact CB-CG2 4.29Å; V86-L91 HydrophobicContact CG1-CD1 3.74Å; V86-L91 HydrophobicContact CG1-CD2 3.81Å; V86-L91 HydrophobicContact CG1-CG 3.55Å; V86-V105 HydrophobicContact CG2-CG1 3.56Å; V86-V105 HydrophobicContact CG2-CG2 4.34Å |
| 87 | R | 88.8 | Confident | 85.5 | Confident | 116 Ų | 116 | 76.7 Ų | 76.7 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 150.8 | 172.2 | -53.3 | 177.6 | -70.8 | -177.2 | 0.6 | 109.6 | V69 E89 D90 | V69-R87 HydrophobicContact CG1-CG 4.12Å; R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 3.46Å; R87-D90 VanDerWaalsContact CB-OD2 3.23Å; R87-D90 WeakPolarHBondContact CB-OD2 3.24Å; R87-D90 WeakPolarHBondContact CG-OD2 3.42Å; R87-D90 IonicContact CZ-OD1 3.46Å; R87-D90 IonicContact CZ-OD2 2.68Å; R87-D90 PolarHBondContact N-OD2 3.26Å; R87-D90 IonicContact NE-OD1 2.73Å; R87-D90 PolarHBondContact NE-OD1 2.81Å; R87-D90 IonicContact NE-OD2 3.04Å; R87-D90 PolarHBondContact NE-OD2 2.94Å; R87-D90 IonicContact NH2-OD1 3.72Å; R87-D90 PolarHBondContact NH2-OD1 2.9Å; R87-D90 IonicContact NH2-OD2 2.72Å; R87-D90 PolarHBondContact O-N 2.69Å |
| 88 | F | 87.2 | Confident | 84.5 | Confident | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.5 | -72 | -84.6 | 0 | 0 | 0 | 111.6 | L8 V62 V64 R68 L70 D90 L91 L92 | L8-F88 HydrophobicContact CB-CD1 4.37Å; L8-F88 HydrophobicContact CB-CE1 4.31Å; L8-F88 HydrophobicContact CD2-CD1 3.63Å; L8-F88 HydrophobicContact CD2-CE1 3.87Å; V62-F88 HydrophobicContact CB-CE1 4.27Å; V62-F88 HydrophobicContact CB-CZ 4.4Å; V62-F88 HydrophobicContact CG1-CE1 3.95Å; V62-F88 HydrophobicContact CG1-CZ 3.61Å; V64-F88 HydrophobicContact CB-CD1 4.46Å; V64-F88 HydrophobicContact CG1-CB 4.07Å; V64-F88 HydrophobicContact CG1-CD1 4.25Å; V64-F88 HydrophobicContact CG1-CG 4.17Å; V64-F88 HydrophobicContact CG2-CD1 4Å; V64-F88 HydrophobicContact CG2-CE1 4.39Å; R68-F88 HydrophobicContact CB-CD2 4.25Å; R68-F88 HydrophobicContact CB-CE2 3.65Å; R68-F88 VanDerWaalsContact O-CD2 3.24Å; R68-F88 WeakPolarHBondContact O-CD2 3.35Å; L70-F88 HydrophobicContact CD1-CE1 4.06Å; L70-F88 HydrophobicContact CD1-CZ 4.27Å; L70-F88 HydrophobicContact CD2-CE1 4.03Å; L70-F88 HydrophobicContact CD2-CE2 4.17Å; L70-F88 HydrophobicContact CD2-CZ 3.47Å; L70-F88 VanDerWaalsContact CD2-CZ 3.47Å; L70-F88 HydrophobicContact CG-CE1 4.03Å; L70-F88 HydrophobicContact CG-CE2 4.2Å; L70-F88 HydrophobicContact CG-CZ 3.73Å; F88-D90 PolarHBondContact O-N 3.45Å; F88-L91 WeakPolarHBondContact O-CB 3.47Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.11Å; F88-L92 HydrophobicContact CB-CD1 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.2Å; F88-L92 VanDerWaalsContact O-CG 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.23Å |
| 89 | E | 83.3 | Confident | 84.3 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.7 | -50.6 | 176.2 | -64.6 | 168.6 | 176.4 | 0 | 0 | 111.3 | R87 L91 L92 D93 | R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 3.46Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 2.7Å; E89-D93 PolarHBondContact O-N 3.44Å |
| 90 | D | 85.8 | Confident | 84.1 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.2 | -29.7 | 179.6 | -56.8 | -41.5 | 0 | 0 | 0 | 113 | R87 F88 K94 | R87-D90 VanDerWaalsContact CB-OD2 3.23Å; R87-D90 WeakPolarHBondContact CB-OD2 3.24Å; R87-D90 WeakPolarHBondContact CG-OD2 3.42Å; R87-D90 IonicContact CZ-OD1 3.46Å; R87-D90 IonicContact CZ-OD2 2.68Å; R87-D90 PolarHBondContact N-OD2 3.26Å; R87-D90 IonicContact NE-OD1 2.73Å; R87-D90 PolarHBondContact NE-OD1 2.81Å; R87-D90 IonicContact NE-OD2 3.04Å; R87-D90 PolarHBondContact NE-OD2 2.94Å; R87-D90 IonicContact NH2-OD1 3.72Å; R87-D90 PolarHBondContact NH2-OD1 2.9Å; R87-D90 IonicContact NH2-OD2 2.72Å; R87-D90 PolarHBondContact O-N 2.69Å; F88-D90 PolarHBondContact O-N 3.45Å; D90-K94 WeakPolarHBondContact O-CG 3.49Å |
| 91 | L | 86.1 | Confident | 84 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -82.9 | -39.8 | 175.7 | -66.1 | 175.5 | 0 | 0 | 0 | 112 | L8 L70 V86 F88 E89 D93 K94 V103 I117 | L8-L91 HydrophobicContact CD2-CB 4.49Å; L8-L91 HydrophobicContact CD2-CD1 3.79Å; L70-L91 HydrophobicContact CD1-CD1 3.97Å; V86-L91 HydrophobicContact CG1-CD1 3.74Å; V86-L91 HydrophobicContact CG1-CD2 3.81Å; V86-L91 HydrophobicContact CG1-CG 3.55Å; F88-L91 WeakPolarHBondContact O-CB 3.47Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.11Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact O-N 3.08Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-K94 WeakPolarHBondContact O-CB 3.33Å; L91-K94 PolarHBondContact O-N 3.35Å; L91-V103 HydrophobicContact CD2-CG2 3.97Å; L91-I117 HydrophobicContact CB-CD1 3.81Å; L91-I117 HydrophobicContact CD1-CG2 4.45Å; L91-I117 HydrophobicContact CD2-CD1 4.18Å; L91-I117 HydrophobicContact CD2-CG2 4.43Å; L91-I117 WeakPolarHBondContact O-CD1 3.29Å |
| 92 | L | 83.6 | Confident | 84 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -33.5 | -179.6 | -68.9 | 170.6 | 0 | 0 | 0 | 111.8 | F2 L8 V64 F88 E89 K94 L95 C119 | F2-L92 HydrophobicContact CB-CD1 4.26Å; F2-L92 HydrophobicContact CD2-CD2 3.95Å; F2-L92 HydrophobicContact CE2-CD2 4.17Å; F2-L92 HydrophobicContact CG-CD1 4.5Å; F2-L92 HydrophobicContact CG-CD2 4.29Å; L8-L92 HydrophobicContact CD1-CD2 4.46Å; V64-L92 HydrophobicContact CG1-CD1 4.1Å; F88-L92 HydrophobicContact CB-CD1 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.2Å; F88-L92 VanDerWaalsContact O-CG 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.23Å; E89-L92 PolarHBondContact O-N 2.7Å; L92-K94 PolarHBondContact O-N 2.81Å; L92-L95 HydrophobicContact CD2-CD1 3.95Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 WeakPolarHBondContact O-CB 3.19Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-C119 HydrophobicContact CD2-CB 4.31Å |
| 93 | D | 82.9 | Confident | 83.9 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -62.1 | -25.8 | 173.9 | -65.2 | -10.7 | 0 | 0 | 0 | 111.6 | E89 L91 L95 | E89-D93 PolarHBondContact O-N 3.44Å; L91-D93 VanDerWaalsContact C-N 3.34Å; D93-L95 VanDerWaalsContact C-N 3.29Å |
| 94 | K | 82.3 | Confident | 83.9 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -79.7 | -10.7 | 174.6 | -55.1 | -61 | -178.7 | -166.6 | 0 | 113.3 | D90 L91 L92 A101 V103 | D90-K94 WeakPolarHBondContact O-CG 3.49Å; L91-K94 WeakPolarHBondContact O-CB 3.33Å; L91-K94 PolarHBondContact O-N 3.35Å; L92-K94 PolarHBondContact O-N 2.81Å; K94-A101 HydrophobicContact CB-CB 4.39Å; K94-A101 WeakPolarHBondContact O-CB 3.33Å; K94-V103 HydrophobicContact CB-CG1 3.61Å; K94-V103 HydrophobicContact CG-CG1 3.75Å |
| 95 | L | 78.1 | Confident | 83.8 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -97.3 | -3.2 | -178.3 | -72.3 | 164.4 | 0 | 0 | 0 | 113.4 | L8 L92 D93 T97 C98 A101 I117 C119 | L8-L95 HydrophobicContact CD1-CD1 4.12Å; L92-L95 HydrophobicContact CD2-CD1 3.95Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 WeakPolarHBondContact O-CB 3.19Å; L92-L95 PolarHBondContact O-N 2.79Å; D93-L95 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.8Å; L95-C98 CarbonylContact C-O 3.49Å; L95-C98 VanDerWaalsContact CD2-O 3.29Å; L95-C98 WeakPolarHBondContact CD2-O 3.3Å; L95-C98 CarbonylContact O-C 3.56Å; L95-C98 PolarHBondContact O-N 2.83Å; L95-A101 HydrophobicContact CD2-CB 3.65Å; L95-A101 VanDerWaalsContact CD2-N 3.3Å; L95-A101 HydrophobicContact CG-CB 4.15Å; L95-I117 HydrophobicContact CD1-CD1 3.87Å; L95-I117 HydrophobicContact CD1-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CD1 4.3Å; L95-I117 HydrophobicContact CD2-CG1 4.12Å; L95-I117 HydrophobicContact CG-CD1 3.84Å; L95-I117 HydrophobicContact CG-CG1 4.21Å; L95-C119 HydrophobicContact CD1-CB 4.04Å |
| 96 | E | 66.8 | Low | 83.8 | Confident | 163 Ų | 163 | 67.3 Ų | 67.3 | 76% | 0.762 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.6 | -172.4 | -67.5 | -170.1 | 146 | 0 | 0 | 114.9 | ||
| 97 | T | 62.2 | Low | 83.9 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 87% | 0.871 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -9.5 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | L95 | L95-T97 PolarHBondContact O-N 2.8Š|
| 98 | C | 66.5 | Low | 84 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | trans | -164.5 | 141.6 | -174.2 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | L95 T100 | L95-C98 CarbonylContact C-O 3.49Å; L95-C98 VanDerWaalsContact CD2-O 3.29Å; L95-C98 WeakPolarHBondContact CD2-O 3.3Å; L95-C98 CarbonylContact O-C 3.56Å; L95-C98 PolarHBondContact O-N 2.83Å; C98-T100 WeakPolarHBondContact CB-O 3.32Å; C98-T100 PolarHBondContact O-N 2.8Å; C98-T100 PolarHBondContact SG-N 2.83Å; C98-T100 VanDerWaalsContact SG-N 3.36Å; C98-T100 PolarHBondContact SG-O 2.77Å | ||
| 99 | D | 79.7 | Confident | 84.1 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -58.2 | -10.1 | 172.4 | -59.1 | -24.2 | 0 | 0 | 0 | 114 | K118 C119 | D99-K118 WeakPolarHBondContact O-CA 3.38Å; D99-K118 WeakPolarHBondContact O-CB 3.04Å; D99-K118 VanDerWaalsContact O-CG 3.25Å; D99-K118 WeakPolarHBondContact O-CG 3.03Å; D99-C119 PolarHBondContact O-N 3.49Å |
| 100 | T | 85.2 | Confident | 84.3 | Confident | 21 Ų | 21 | 69 Ų | 69 | 13% | 0.129 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.2 | 179.2 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | C98 Q116 I117 K118 | C98-T100 WeakPolarHBondContact CB-O 3.32Å; C98-T100 PolarHBondContact O-N 2.8Å; C98-T100 PolarHBondContact SG-N 2.83Å; C98-T100 VanDerWaalsContact SG-N 3.36Å; C98-T100 PolarHBondContact SG-O 2.77Å; T100-Q116 HydrophobicContact CG2-CG 4.09Å; T100-I117 CarbonylContact C-O 3.52Å; T100-I117 VanDerWaalsContact CA-O 3.27Å; T100-I117 WeakPolarHBondContact CA-O 3.34Å; T100-I117 WeakPolarHBondContact CG2-O 3.4Å; T100-K118 HydrophobicContact CG2-CB 4.37Å |
| 101 | A | 87.1 | Confident | 84.4 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | K94 L95 V103 Q116 I117 | K94-A101 HydrophobicContact CB-CB 4.39Å; K94-A101 WeakPolarHBondContact O-CB 3.33Å; L95-A101 HydrophobicContact CD2-CB 3.65Å; L95-A101 VanDerWaalsContact CD2-N 3.3Å; L95-A101 HydrophobicContact CG-CB 4.15Å; A101-V103 HydrophobicContact CB-CG1 4.26Å; A101-Q116 WeakPolarHBondContact O-CA 3.15Å; A101-I117 HydrophobicContact CB-CD1 4.2Å; A101-I117 HydrophobicContact CB-CG1 3.93Å; A101-I117 PolarHBondContact N-O 2.84Å; A101-I117 WeakPolarHBondContact O-CG1 3.34Å; A101-I117 PolarHBondContact O-N 3.19Å |
| 102 | T | 91.1 | Very high | 84.8 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.2 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 107 | L114 | T102-L114 HydrophobicContact CG2-CD1 3.5Å; T102-L114 HydrophobicContact CG2-CD2 4.43Å; T102-L114 HydrophobicContact CG2-CG 4.02Å |
| 103 | V | 91.2 | Very high | 85.3 | Confident | 20 Ų | 20 | 68.2 Ų | 68.2 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.4 | -167.8 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | L91 K94 A101 V115 I117 | L91-V103 HydrophobicContact CD2-CG2 3.97Å; K94-V103 HydrophobicContact CB-CG1 3.61Å; K94-V103 HydrophobicContact CG-CG1 3.75Å; A101-V103 HydrophobicContact CB-CG1 4.26Å; V103-V115 HydrophobicContact CG2-CB 4.26Å; V103-V115 WeakPolarHBondContact CG2-O 3.39Å; V103-V115 PolarHBondContact N-O 2.79Å; V103-V115 PolarHBondContact O-N 2.87Å; V103-V115 VanDerWaalsContact O-O 3.11Å; V103-I117 HydrophobicContact CG1-CD1 4.36Å; V103-I117 HydrophobicContact CG2-CD1 4.17Å; V103-I117 HydrophobicContact CG2-CG1 4.32Å |
| 104 | W | 94 | Very high | 85.8 | Confident | 120 Ų | 120 | 64.8 Ų | 64.8 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.4 | 169.8 | -73.5 | 102.4 | 0 | 0 | 0 | 109.4 | V16 K112 L113 L114 | V16-W104 HydrophobicContact CG2-CH2 4.03Å; V16-W104 HydrophobicContact CG2-CZ3 4.22Å; W104-K112 HydrophobicContact CE3-CB 3.67Å; W104-K112 HydrophobicContact CZ3-CB 4.04Å; W104-L113 WeakPolarHBondContact CA-O 3.41Å; W104-L114 HydrophobicContact CD2-CB 4.27Å; W104-L114 HydrophobicContact CD2-CD1 3.78Å; W104-L114 HydrophobicContact CE3-CB 3.86Å; W104-L114 HydrophobicContact CE3-CD1 4.25Å; W104-L114 HydrophobicContact CG-CD1 4.15Å; W104-L114 HydrophobicContact CH2-CB 3.9Å; W104-L114 HydrophobicContact CH2-CD2 4.49Å; W104-L114 HydrophobicContact CZ2-CB 4.24Å; W104-L114 HydrophobicContact CZ2-CD1 4.02Å; W104-L114 HydrophobicContact CZ2-CD2 4.27Å; W104-L114 HydrophobicContact CZ2-CG 4.42Å; W104-L114 HydrophobicContact CZ3-CB 3.68Å |
| 105 | V | 93 | Very high | 86.4 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.2 | 170.5 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | I72 A84 V86 K112 L113 V115 | I72-V105 HydrophobicContact CD1-CG1 4.49Å; A84-V105 HydrophobicContact CB-CG1 3.61Å; V86-V105 HydrophobicContact CG2-CG1 3.56Å; V86-V105 HydrophobicContact CG2-CG2 4.34Å; V105-K112 CarbonylContact O-C 3.34Å; V105-K112 VanDerWaalsContact O-CA 3.32Å; V105-K112 WeakPolarHBondContact O-CA 3Å; V105-L113 HydrophobicContact CB-CB 4.43Å; V105-L113 PolarHBondContact N-O 2.79Å; V105-L113 PolarHBondContact O-N 2.76Å; V105-V115 HydrophobicContact CB-CG2 4.38Å; V105-V115 HydrophobicContact CG2-CB 4.39Å; V105-V115 HydrophobicContact CG2-CG2 3.77Å |
| 106 | H | 92.9 | Very high | 87.1 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.4 | 176.2 | -72.6 | -98.9 | 0 | 0 | 0 | 110.1 | A84 K112 | A84-H106 WeakPolarHBondContact CB-O 3.31Å; H106-K112 WeakPolarHBondContact CE1-CE 2.87Å; H106-K112 PolarHBondContact CE1-NZ 2.83Å |
| 107 | L | 93.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -97 | 154.4 | 176.4 | -59.4 | 169.4 | 0 | 0 | 0 | 109.7 | L74 A82 D83 A84 G111 L113 | L74-L107 HydrophobicContact CB-CD1 4.15Å; L74-L107 HydrophobicContact CD2-CD1 3.71Å; A82-L107 HydrophobicContact CB-CB 3.88Å; A82-L107 HydrophobicContact CB-CD1 4.3Å; D83-L107 CarbonylContact O-C 3.55Å; D83-L107 WeakPolarHBondContact O-CA 3.36Å; A84-L107 HydrophobicContact CB-CD2 3.86Å; L107-G111 PolarHBondContact N-O 2.84Å; L107-L113 HydrophobicContact CD1-CB 4.21Å; L107-L113 HydrophobicContact CD2-CB 4.37Å; L107-L113 HydrophobicContact CG-CB 4.31Å |
| 108 | Q | 90.6 | Very high | 89.5 | Confident | 123 Ų | 123 | 47.7 Ų | 47.7 | 58% | 0.575 | 25% | 0.253 | S | S | * | . | B | Isolated β-bridge | trans | -116.1 | 141.2 | 172.5 | -63 | -62.7 | -80.2 | 0 | 0 | 109.2 | A82 D83 | A82-Q108 CarbonylContact C-O 3.54Å; A82-Q108 WeakPolarHBondContact CA-O 3.36Å; A82-Q108 VanDerWaalsContact CB-O 3.3Å; A82-Q108 WeakPolarHBondContact CB-O 3.42Å; D83-Q108 PolarHBondContact N-O 2.83Å; D83-Q108 PolarHBondContact O-N 3.49Å |
| 109 | P | 90.4 | Very high | 90.3 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 73% | 0.727 | 24% | 0.239 | S | C | * | . | S | Bend | cis | -76.9 | -21.8 | 2.8 | 31 | -34.9 | 0 | 0 | 0 | 113.8 | ||
| 110 | A | 86.7 | Confident | 90.4 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -146.1 | 152.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q18 | Q18-A110 HydrophobicContact CB-CB 4.48Š|
| 111 | G | 89.4 | Confident | 89.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | 105 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V16 L107 | V16-G111 CarbonylContact O-C 3.48Å; V16-G111 WeakPolarHBondContact O-CA 3.28Å; L107-G111 PolarHBondContact N-O 2.84Å | ||
| 112 | K | 93.5 | Very high | 88.6 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.9 | 179.3 | -53.6 | -176.3 | -169.1 | -175.9 | 0 | 110.2 | A15 V16 W104 V105 H106 | A15-K112 WeakPolarHBondContact CA-O 3.3Å; V16-K112 PolarHBondContact N-O 3.16Å; V16-K112 PolarHBondContact O-N 3.39Å; W104-K112 HydrophobicContact CE3-CB 3.67Å; W104-K112 HydrophobicContact CZ3-CB 4.04Å; V105-K112 CarbonylContact O-C 3.34Å; V105-K112 VanDerWaalsContact O-CA 3.32Å; V105-K112 WeakPolarHBondContact O-CA 3Å; H106-K112 WeakPolarHBondContact CE1-CE 2.87Å; H106-K112 PolarHBondContact CE1-NZ 2.83Å |
| 113 | L | 93.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.4 | 176.3 | -177.5 | 70.6 | 0 | 0 | 0 | 109.6 | F12 A15 W56 I72 W104 V105 L107 V115 | F12-L113 HydrophobicContact CD1-CD2 3.89Å; F12-L113 HydrophobicContact CE1-CD2 4.07Å; F12-L113 HydrophobicContact CG-CD2 4.34Å; A15-L113 HydrophobicContact CB-CD1 4.04Å; W56-L113 HydrophobicContact CH2-CD1 3.44Å; W56-L113 VanDerWaalsContact CH2-CD1 3.44Å; W56-L113 HydrophobicContact CZ3-CD1 3.53Å; I72-L113 HydrophobicContact CD1-CD2 4.36Å; I72-L113 HydrophobicContact CG2-CD2 3.7Å; W104-L113 WeakPolarHBondContact CA-O 3.41Å; V105-L113 HydrophobicContact CB-CB 4.43Å; V105-L113 PolarHBondContact N-O 2.79Å; V105-L113 PolarHBondContact O-N 2.76Å; L107-L113 HydrophobicContact CD1-CB 4.21Å; L107-L113 HydrophobicContact CD2-CB 4.37Å; L107-L113 HydrophobicContact CG-CB 4.31Å; L113-V115 HydrophobicContact CB-CG2 4.42Å; L113-V115 HydrophobicContact CD2-CG2 3.72Å; L113-V115 HydrophobicContact CG-CG2 3.75Å |
| 114 | L | 94.6 | Very high | 84.1 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.12 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.2 | 171.8 | -172 | 59.9 | 0 | 0 | 0 | 108.9 | V13 K14 T102 W104 | V13-L114 HydrophobicContact CB-CB 4.16Å; V13-L114 HydrophobicContact CB-CD2 4.13Å; V13-L114 HydrophobicContact CB-CG 4.05Å; V13-L114 WeakPolarHBondContact CB-O 3.48Å; V13-L114 HydrophobicContact CG1-CD2 3.82Å; V13-L114 HydrophobicContact CG1-CG 4.31Å; V13-L114 PolarHBondContact N-O 3.19Å; K14-L114 HydrophobicContact CD-CD2 4.46Å; K14-L114 HydrophobicContact CG-CB 3.85Å; K14-L114 HydrophobicContact CG-CD2 4.12Å; K14-L114 PolarHBondContact O-N 3.36Å; T102-L114 HydrophobicContact CG2-CD1 3.5Å; T102-L114 HydrophobicContact CG2-CD2 4.43Å; T102-L114 HydrophobicContact CG2-CG 4.02Å; W104-L114 HydrophobicContact CD2-CB 4.27Å; W104-L114 HydrophobicContact CD2-CD1 3.78Å; W104-L114 HydrophobicContact CE3-CB 3.86Å; W104-L114 HydrophobicContact CE3-CD1 4.25Å; W104-L114 HydrophobicContact CG-CD1 4.15Å; W104-L114 HydrophobicContact CH2-CB 3.9Å; W104-L114 HydrophobicContact CH2-CD2 4.49Å; W104-L114 HydrophobicContact CZ2-CB 4.24Å; W104-L114 HydrophobicContact CZ2-CD1 4.02Å; W104-L114 HydrophobicContact CZ2-CD2 4.27Å; W104-L114 HydrophobicContact CZ2-CG 4.42Å; W104-L114 HydrophobicContact CZ3-CB 3.68Å |
| 115 | V | 93.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.8 | -178.1 | -173.5 | 0 | 0 | 0 | 0 | 109 | V10 K11 F12 V103 V105 L113 I117 | V10-V115 HydrophobicContact CG1-CG1 3.43Å; V10-V115 VanDerWaalsContact CG1-CG1 3.43Å; K11-V115 WeakPolarHBondContact O-CA 3.42Å; F12-V115 HydrophobicContact CD1-CG1 4.07Å; F12-V115 HydrophobicContact CD1-CG2 3.92Å; F12-V115 HydrophobicContact CE1-CG1 4.25Å; F12-V115 HydrophobicContact CE1-CG2 4.2Å; V103-V115 HydrophobicContact CG2-CB 4.26Å; V103-V115 WeakPolarHBondContact CG2-O 3.39Å; V103-V115 PolarHBondContact N-O 2.79Å; V103-V115 PolarHBondContact O-N 2.87Å; V103-V115 VanDerWaalsContact O-O 3.11Å; V105-V115 HydrophobicContact CB-CG2 4.38Å; V105-V115 HydrophobicContact CG2-CB 4.39Å; V105-V115 HydrophobicContact CG2-CG2 3.77Å; L113-V115 HydrophobicContact CB-CG2 4.42Å; L113-V115 HydrophobicContact CD2-CG2 3.72Å; L113-V115 HydrophobicContact CG-CG2 3.75Å; V115-I117 HydrophobicContact CG1-CG2 3.92Å |
| 116 | Q | 92.3 | Very high | 78.8 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.5 | 168.3 | -175.1 | 177.1 | 25.2 | 0 | 0 | 109.8 | V10 K11 V13 T100 A101 L175 | V10-Q116 CarbonylContact C-O 3.59Å; K11-Q116 HydrophobicContact CB-CB 4.29Å; K11-Q116 PolarHBondContact N-O 2.82Å; K11-Q116 PolarHBondContact O-N 2.76Å; V13-Q116 HydrophobicContact CG2-CB 4.2Å; T100-Q116 HydrophobicContact CG2-CG 4.09Å; A101-Q116 WeakPolarHBondContact O-CA 3.15Å; Q116-L175 VanDerWaalsContact CD-CD2 3.46Å |
| 117 | I | 91 | Very high | 75.8 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.8 | -177.4 | 55.5 | 171.6 | 0 | 0 | 0 | 110.3 | L8 R9 V10 L91 L95 T100 A101 V103 V115 | L8-I117 HydrophobicContact CD1-CB 4.12Å; R9-I117 CarbonylContact O-C 3.49Å; R9-I117 VanDerWaalsContact O-CA 3.29Å; R9-I117 WeakPolarHBondContact O-CA 3.41Å; V10-I117 HydrophobicContact CG2-CG2 4.43Å; L91-I117 HydrophobicContact CB-CD1 3.81Å; L91-I117 HydrophobicContact CD1-CG2 4.45Å; L91-I117 HydrophobicContact CD2-CD1 4.18Å; L91-I117 HydrophobicContact CD2-CG2 4.43Å; L91-I117 WeakPolarHBondContact O-CD1 3.29Å; L95-I117 HydrophobicContact CD1-CD1 3.87Å; L95-I117 HydrophobicContact CD1-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CD1 4.3Å; L95-I117 HydrophobicContact CD2-CG1 4.12Å; L95-I117 HydrophobicContact CG-CD1 3.84Å; L95-I117 HydrophobicContact CG-CG1 4.21Å; T100-I117 CarbonylContact C-O 3.52Å; T100-I117 VanDerWaalsContact CA-O 3.27Å; T100-I117 WeakPolarHBondContact CA-O 3.34Å; T100-I117 WeakPolarHBondContact CG2-O 3.4Å; A101-I117 HydrophobicContact CB-CD1 4.2Å; A101-I117 HydrophobicContact CB-CG1 3.93Å; A101-I117 PolarHBondContact N-O 2.84Å; A101-I117 WeakPolarHBondContact O-CG1 3.34Å; A101-I117 PolarHBondContact O-N 3.19Å; V103-I117 HydrophobicContact CG1-CD1 4.36Å; V103-I117 HydrophobicContact CG2-CD1 4.17Å; V103-I117 HydrophobicContact CG2-CG1 4.32Å; V115-I117 HydrophobicContact CG1-CG2 3.92Å |
| 118 | K | 88.9 | Confident | 73.1 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.3 | 170.1 | 163 | 161.7 | -179.3 | -155.7 | 0 | 109.8 | R9 D99 T100 W178 | R9-K118 HydrophobicContact CB-CB 4.4Å; R9-K118 PolarHBondContact N-O 3.15Å; R9-K118 PolarHBondContact O-N 2.76Å; D99-K118 WeakPolarHBondContact O-CA 3.38Å; D99-K118 WeakPolarHBondContact O-CB 3.04Å; D99-K118 VanDerWaalsContact O-CG 3.25Å; D99-K118 WeakPolarHBondContact O-CG 3.03Å; T100-K118 HydrophobicContact CG2-CB 4.37Å; K118-W178 HydrophobicContact CD-CH2 4.35Å; K118-W178 HydrophobicContact CD-CZ2 3.56Å; K118-W178 HydrophobicContact CG-CZ2 4.06Å; K118-W178 VanDerWaalsContact NZ-CZ2 3.34Å |
| 119 | C | 83.5 | Confident | 70.6 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.4 | 173.3 | -153.5 | 0 | 0 | 0 | 0 | 111.4 | F2 L92 L95 D99 | F2-C119 HydrophobicContact CE1-CB 3.82Å; F2-C119 WeakPolarHBondContact CE1-SG 3.47Å; F2-C119 HydrophobicContact CE2-CB 4.29Å; F2-C119 HydrophobicContact CZ-CB 3.54Å; F2-C119 WeakPolarHBondContact CZ-SG 3.43Å; L92-C119 HydrophobicContact CD2-CB 4.31Å; L95-C119 HydrophobicContact CD1-CB 4.04Å; D99-C119 PolarHBondContact O-N 3.49Å |
| 120 | M | 81 | Confident | 68 | Low | 37 Ų | 37 | 75.3 Ų | 75.3 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.3 | 166.9 | -55.7 | 173.8 | -118.8 | 0 | 0 | 108.6 | G6 V7 R9 W178 | G6-M120 CarbonylContact C-O 3.53Å; G6-M120 VanDerWaalsContact CA-O 3.3Å; G6-M120 WeakPolarHBondContact CA-O 3.11Å; V7-M120 HydrophobicContact CB-CB 4.24Å; V7-M120 HydrophobicContact CB-CE 3.78Å; V7-M120 HydrophobicContact CB-SD 4.14Å; V7-M120 HydrophobicContact CG1-CE 3.43Å; V7-M120 VanDerWaalsContact CG1-CE 3.43Å; V7-M120 HydrophobicContact CG1-SD 4.38Å; V7-M120 PolarHBondContact N-O 2.74Å; V7-M120 PolarHBondContact O-N 2.76Å; R9-M120 HydrophobicContact CB-CE 3.98Å; M120-W178 HydrophobicContact CE-CH2 3.39Å; M120-W178 HydrophobicContact CE-CZ2 4.32Å; M120-W178 HydrophobicContact CE-CZ3 3.79Å; M120-W178 HydrophobicContact CG-CH2 3.26Å; M120-W178 HydrophobicContact CG-CZ2 4.37Å; M120-W178 HydrophobicContact CG-CZ3 3.77Å; M120-W178 HydrophobicContact SD-CE3 4.46Å; M120-W178 HydrophobicContact SD-CH2 3.15Å; M120-W178 WeakPolarHBondContact SD-CH2 3.24Å; M120-W178 HydrophobicContact SD-CZ2 4.44Å; M120-W178 HydrophobicContact SD-CZ3 3.16Å; M120-W178 WeakPolarHBondContact SD-CZ3 3.36Å |
| 121 | S | 73.1 | Confident | 65.6 | Low | 104 Ų | 104 | 82.9 Ų | 82.9 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | trans | -74.3 | 127.9 | 158.4 | -167 | 0 | 0 | 0 | 0 | 107.9 | A123 | S121-A123 PolarHBondContact O-N 2.88Å; S121-A123 VanDerWaalsContact O-N 3.12Å | ||
| 122 | E | 62.6 | Low | 63.2 | Low | 81 Ų | 81 | 91.2 Ų | 91.2 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | trans | -66.7 | 109.1 | 161.4 | -69.1 | -172 | 168.2 | 0 | 0 | 105.8 | G5 V7 R63 N124 | G5-E122 VanDerWaalsContact O-CG 3.3Å; G5-E122 WeakPolarHBondContact O-CG 3.41Å; V7-E122 HydrophobicContact CG2-CG 3.84Å; V7-E122 WeakPolarHBondContact CG2-OE1 3.13Å; R63-E122 IonicContact CZ-OE1 2.87Å; R63-E122 IonicContact CZ-OE2 3.65Å; R63-E122 IonicContact NH1-OE1 3.68Å; R63-E122 PolarHBondContact NH1-OE1 3.19Å; R63-E122 IonicContact NH1-OE2 3.61Å; R63-E122 PolarHBondContact NH1-OE2 3.34Å; R63-E122 IonicContact NH2-OE1 3.8Å; R63-E122 IonicContact NH2-OE2 2.84Å; R63-E122 PolarHBondContact NH2-OE2 3.17Å; E122-N124 PolarHBondContact O-N 3.29Å; E122-N124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | A | 49.4 | Very low | 60.4 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | trans | -63.5 | 112.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | S121 E125 | S121-A123 PolarHBondContact O-N 2.88Å; S121-A123 VanDerWaalsContact O-N 3.12Å; A123-E125 PolarHBondContact O-N 3.21Å | ||
| 124 | N | 39 | Very low | 58.2 | Low | 127 Ų | 127 | 104 Ų | 104 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | trans | -62.7 | 99.3 | 177.6 | -162.2 | 24.6 | 0 | 0 | 0 | 107.8 | E122 N126 | E122-N124 PolarHBondContact O-N 3.29Å; E122-N124 VanDerWaalsContact O-N 3.07Å; N124-N126 PolarHBondContact ND2-O 3.15Å; N124-N126 PolarHBondContact O-N 2.66Å; N124-N126 VanDerWaalsContact O-N 3.17Å | ||
| 125 | E | 41.9 | Very low | 55.3 | Low | 182 Ų | 182 | 108.6 Ų | 108.6 | 85% | 0.85 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -74.6 | 13.5 | 170.7 | -70.6 | -163.7 | 115.2 | 0 | 0 | 112.3 | A123 | A123-E125 PolarHBondContact O-N 3.21Š|
| 126 | N | 32.4 | Very low | 52.7 | Low | 141 Ų | 141 | 113.6 Ų | 113.6 | 75% | 0.754 | 61% | 0.608 | S | S | * | * | trans | -113.1 | 81.4 | 169.8 | -64.1 | -36.5 | 0 | 0 | 0 | 109.2 | N124 | N124-N126 PolarHBondContact ND2-O 3.15Å; N124-N126 PolarHBondContact O-N 2.66Å; N124-N126 VanDerWaalsContact O-N 3.17Å | ||
| 127 | G | 31.4 | Very low | 50.1 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 62% | 0.619 | 64% | 0.643 | S | S | * | * | trans | -167.9 | 53.8 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | E129 | G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 2.92Å | ||
| 128 | L | 35.8 | Very low | 47.7 | Very low | 178 Ų | 178 | 119 Ų | 119 | 93% | 0.932 | 66% | 0.66 | S | S | * | * | trans | -69.3 | 94.3 | 154.2 | -78.6 | 160.9 | 0 | 0 | 0 | 106.2 | ||||
| 129 | E | 38.6 | Very low | 46.1 | Very low | 190 Ų | 190 | 123.4 Ų | 123.4 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | trans | -121.2 | 115.5 | 159 | -74.4 | -172.7 | 140.5 | 0 | 0 | 108 | G127 | G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 2.92Å | ||
| 130 | E | 35 | Very low | 44.9 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 123.4 | 177.8 | -67.3 | 164.7 | 85.2 | 0 | 0 | 110.9 | ||||
| 131 | Q | 37.5 | Very low | 43.5 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | 172.1 | 113.5 | 151.7 | -99.5 | 162.2 | -1.3 | 0 | 0 | 104.9 | ||||
| 132 | E | 37.9 | Very low | 42.4 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | cis | -139.3 | 138.6 | 26.6 | -65.8 | 174.8 | 104.5 | 0 | 0 | 109.5 | I134 | E132-I134 PolarHBondContact O-N 3.19Š| ||
| 133 | K | 34.9 | Very low | 41.6 | Very low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -67 | 95.8 | 169.1 | -75.9 | 178.6 | 179.1 | 179.4 | 0 | 109.3 | P135 | K133-P135 WeakPolarHBondContact O-CD 3.24Š| ||
| 134 | I | 47.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -85.5 | 112.3 | 149.6 | -55.9 | 172 | 0 | 0 | 0 | 105.8 | E132 C136 | E132-I134 PolarHBondContact O-N 3.19Å; I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 PolarHBondContact O-N 3.33Å | ||
| 135 | P | 33 | Very low | 42.2 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -75 | 85.1 | 178.3 | 30.2 | -30.8 | 0 | 0 | 0 | 108.8 | K133 A137 | K133-P135 WeakPolarHBondContact O-CD 3.24Å; P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.49Å | ||
| 136 | C | 39.3 | Very low | 43 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 72% | 0.716 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 81.4 | 163.8 | -94.2 | 0 | 0 | 0 | 0 | 109.2 | I134 G138 | I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 PolarHBondContact O-N 3.33Å; C136-G138 PolarHBondContact O-N 2.87Å | ||
| 137 | A | 38.1 | Very low | 44.3 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -52.3 | 126.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109 | P135 | P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.49Å | ||
| 138 | G | 40.4 | Very low | 45.9 | Very low | 36 Ų | 36 | 153.2 Ų | 153.2 | 37% | 0.371 | 78% | 0.778 | S | S | . | * | trans | 143.9 | 8.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | C136 E140 K141 | C136-G138 PolarHBondContact O-N 2.87Å; G138-E140 PolarHBondContact O-N 3.16Å; G138-K141 PolarHBondContact O-N 2.87Å | ||
| 139 | I | 56.3 | Low | 47.7 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -67.5 | -19.6 | 178.3 | -63.2 | 177.5 | 0 | 0 | 0 | 112.1 | ||
| 140 | E | 57.9 | Low | 50 | Low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -84.6 | -4.4 | 176.6 | -149.2 | 134.7 | 108.4 | 0 | 0 | 114.8 | G138 | G138-E140 PolarHBondContact O-N 3.16Š|
| 141 | K | 50.6 | Low | 52.6 | Low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -109.5 | 9.9 | -178.2 | -74.1 | -174.2 | 178 | -179.6 | 0 | 115.2 | G138 R143 | G138-K141 PolarHBondContact O-N 2.87Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 2.88Å |
| 142 | R | 50.1 | Low | 55.1 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | -92.7 | 29.4 | -179.8 | -63.4 | -168.6 | -176.8 | 169.5 | 1.3 | 114.8 | G144 | R142-G144 PolarHBondContact O-N 2.87Å; R142-G144 VanDerWaalsContact O-N 3.16Å | ||
| 143 | R | 46.6 | Very low | 57.7 | Low | 241 Ų | 241 | 134.7 Ų | 134.7 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 104.6 | 166.9 | -64.9 | -170.9 | -163.5 | -139.6 | 4.2 | 108.1 | K141 | K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 2.88Å |
| 144 | G | 51.6 | Low | 60.3 | Low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.4 | -8.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | R142 I146 | R142-G144 PolarHBondContact O-N 2.87Å; R142-G144 VanDerWaalsContact O-N 3.16Å; G144-I146 PolarHBondContact O-N 3.31Å |
| 145 | A | 50 | Low | 62.2 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | trans | -78.6 | 88.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R147 | A145-R147 PolarHBondContact O-N 3.33Å; A145-R147 VanDerWaalsContact O-N 3.13Å | ||
| 146 | I | 58 | Low | 64.8 | Low | 144 Ų | 144 | 122 Ų | 122 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | trans | -69.8 | 105.9 | 173.1 | -56.2 | 177.4 | 0 | 0 | 0 | 108.5 | G144 H148 | G144-I146 PolarHBondContact O-N 3.31Å; I146-H148 PolarHBondContact O-N 2.9Å | ||
| 147 | R | 59.6 | Low | 67.4 | Low | 199 Ų | 199 | 117 Ų | 117 | 75% | 0.751 | 59% | 0.587 | S | S | * | * | trans | -77.4 | 100.8 | 173.6 | -71.9 | -178.9 | 173.3 | -178.7 | -3.6 | 109.5 | A145 H149 | A145-R147 PolarHBondContact O-N 3.33Å; A145-R147 VanDerWaalsContact O-N 3.13Å; R147-H149 PolarHBondContact O-N 2.97Å | ||
| 148 | H | 65.6 | Low | 69.9 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 80% | 0.801 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122.6 | 168.9 | -71.1 | -165.5 | 0 | 0 | 0 | 109.1 | I146 K150 | I146-H148 PolarHBondContact O-N 2.9Å; H148-K150 PolarHBondContact O-N 3.23Å |
| 149 | H | 73.8 | Confident | 72.5 | Confident | 124 Ų | 124 | 111.8 Ų | 111.8 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 127.2 | 177.1 | -67.1 | -31.2 | 0 | 0 | 0 | 109.4 | R147 V151 V160 | R147-H149 PolarHBondContact O-N 2.97Å; H149-V151 WeakPolarHBondContact O-CG2 3.39Å; H149-V151 PolarHBondContact O-N 3.49Å; H149-V151 VanDerWaalsContact O-N 3.16Å; H149-V160 HydrophobicContact CB-CG1 4.43Å |
| 150 | K | 85.8 | Confident | 74.3 | Confident | 160 Ų | 160 | 105.1 Ų | 105.1 | 70% | 0.696 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 117.6 | 172.9 | -173.8 | 174.7 | -178.8 | 173.8 | 0 | 109.3 | H148 | H148-K150 PolarHBondContact O-N 3.23Š|
| 151 | V | 89.3 | Confident | 75.9 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.9 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | H149 V160 | H149-V151 WeakPolarHBondContact O-CG2 3.39Å; H149-V151 PolarHBondContact O-N 3.49Å; H149-V151 VanDerWaalsContact O-N 3.16Å; V151-V160 HydrophobicContact CB-CG1 4.5Å; V151-V160 HydrophobicContact CG2-CG1 3.91Å |
| 152 | H | 90.6 | Very high | 77.8 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 20% | 0.199 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.4 | 172.7 | -68.5 | -97.6 | 0 | 0 | 0 | 108.9 | F159 Y185 H199 | H152-F159 HydrophobicContact CB-CB 4.07Å; H152-F159 PolarHBondContact N-O 2.89Å; H152-F159 WeakPolarHBondContact O-CB 3.26Å; H152-F159 PolarHBondContact O-N 2.93Å; H152-Y185 AromaticContact CD2-CE1 3.42Å; H152-Y185 VanDerWaalsContact CD2-CE1 3.42Å; H152-Y185 WeakPolarHBondContact CD2-CE1 3.46Å; H152-Y185 AromaticContact CD2-CZ 3.64Å; H152-Y185 AromaticContact NE2-CE1 3.83Å; H152-Y185 AromaticContact NE2-CZ 3.69Å; H152-Y185 PolarHBondContact NE2-OH 3.44Å; H152-Y185 VanDerWaalsContact NE2-OH 3.15Å; H152-H199 AromaticContact ND1-NE2 3.7Å |
| 153 | E | 91.7 | Very high | 79.6 | Confident | 123 Ų | 123 | 86.8 Ų | 86.8 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.9 | -179.4 | -162.8 | 170.3 | 153 | 0 | 0 | 110.6 | H157 K214 | E153-H157 VanDerWaalsContact CA-O 3.31Å; E153-H157 WeakPolarHBondContact CA-O 3.31Å; E153-K214 IonicContact OE2-NZ 3.3Å; E153-K214 PolarHBondContact OE2-NZ 3.21Å |
| 154 | I | 90 | Very high | 81.6 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 115.6 | -177.2 | -57.4 | -176.8 | 0 | 0 | 0 | 109.7 | G156 H157 F159 H199 V202 | I154-G156 PolarHBondContact O-N 3.19Å; I154-G156 VanDerWaalsContact O-N 3.14Å; I154-H157 PolarHBondContact N-O 3.01Å; I154-H157 VanDerWaalsContact O-CB 3.3Å; I154-H157 WeakPolarHBondContact O-CB 3.48Å; I154-H157 PolarHBondContact O-CD2 3.19Å; I154-H157 PolarHBondContact O-N 3.19Å; I154-F159 HydrophobicContact CB-CD2 4.17Å; I154-F159 HydrophobicContact CB-CE2 4.2Å; I154-F159 HydrophobicContact CD1-CD2 4.38Å; I154-F159 HydrophobicContact CG1-CD2 4.41Å; I154-H199 VanDerWaalsContact CD1-C 3.41Å; I154-H199 HydrophobicContact CD1-CB 3.99Å; I154-H199 WeakPolarHBondContact CD1-CD2 3.3Å; I154-H199 VanDerWaalsContact CD1-O 3.24Å; I154-H199 WeakPolarHBondContact CD1-O 3.16Å; I154-V202 HydrophobicContact CG2-CB 4.5Å |
| 155 | R | 87.3 | Confident | 83 | Confident | 134 Ų | 134 | 84.1 Ų | 84.1 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 40.2 | 179 | -57.2 | -167.5 | -173.7 | -155.8 | -1.1 | 113.1 | H157 V202 L203 R205 C206 | R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.38Å; R155-V202 WeakPolarHBondContact CD-O 3.32Å; R155-V202 PolarHBondContact NE-O 3.14Å; R155-L203 WeakPolarHBondContact CD-O 3.25Å; R155-L203 PolarHBondContact NH1-O 3.43Å; R155-L203 VanDerWaalsContact NH2-CD2 3.33Å; R155-R205 HydrophobicContact CB-CG 4.5Å; R155-R205 WeakPolarHBondContact O-CA 3.22Å; R155-C206 PolarHBondContact O-N 3.13Å; R155-C206 VanDerWaalsContact O-N 3.12Å |
| 156 | G | 89.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 87.9 Ų | 87.9 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I154 C206 | I154-G156 PolarHBondContact O-N 3.19Å; I154-G156 VanDerWaalsContact O-N 3.14Å; G156-C206 VanDerWaalsContact C-CB 3.42Å; G156-C206 VanDerWaalsContact O-CB 3.25Å; G156-C206 WeakPolarHBondContact O-CB 3.42Å |
| 157 | H | 92.2 | Very high | 85.9 | Confident | 3 Ų | 3 | 85.9 Ų | 85.9 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.3 | 171.5 | -67.1 | -91 | 0 | 0 | 0 | 110.8 | E153 I154 R155 F159 C187 C190 S204 C206 | E153-H157 VanDerWaalsContact CA-O 3.31Å; E153-H157 WeakPolarHBondContact CA-O 3.31Å; I154-H157 PolarHBondContact N-O 3.01Å; I154-H157 VanDerWaalsContact O-CB 3.3Å; I154-H157 WeakPolarHBondContact O-CB 3.48Å; I154-H157 PolarHBondContact O-CD2 3.19Å; I154-H157 PolarHBondContact O-N 3.19Å; R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.38Å; H157-F159 HydrophobicContact CB-CD2 3.7Å; H157-F159 HydrophobicContact CB-CE1 4.3Å; H157-F159 HydrophobicContact CB-CE2 3.33Å; H157-F159 HydrophobicContact CB-CG 4.34Å; H157-F159 HydrophobicContact CB-CZ 3.66Å; H157-F159 AromaticContact CG-CE2 3.85Å; H157-F159 AromaticContact CG-CZ 3.78Å; H157-F159 PolarHBondContact O-N 3.03Å; H157-C187 HydrophobicContact CB-CB 4.23Å; H157-C187 PolarHBondContact ND1-SG 3.23Å; H157-C190 PolarHBondContact CE1-SG 3.16Å; H157-C190 PolarHBondContact ND1-SG 3.47Å; H157-S204 PolarHBondContact NE2-O 3.2Å; H157-C206 HydrophobicContact CB-CB 4.37Å; H157-C206 VanDerWaalsContact CE1-CA 3.49Å; H157-C206 WeakPolarHBondContact CE1-CA 3.47Å; H157-C206 WeakPolarHBondContact NE2-CA 3.4Å; H157-C206 PolarHBondContact NE2-N 3.16Å |
| 158 | S | 92.3 | Very high | 87.2 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 85.1 | 169.6 | -70 | 0 | 0 | 0 | 0 | 110.1 | C187 L188 | S158-C187 CarbonylContact O-C 3.46Å; S158-C187 WeakPolarHBondContact O-CA 3.49Å; S158-L188 PolarHBondContact O-N 2.94Å |
| 159 | F | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.3 | -175.9 | -78.6 | -59.9 | 0 | 0 | 0 | 112.3 | H152 I154 H157 Y185 C187 C192 V194 H199 V202 | H152-F159 HydrophobicContact CB-CB 4.07Å; H152-F159 PolarHBondContact N-O 2.89Å; H152-F159 WeakPolarHBondContact O-CB 3.26Å; H152-F159 PolarHBondContact O-N 2.93Å; I154-F159 HydrophobicContact CB-CD2 4.17Å; I154-F159 HydrophobicContact CB-CE2 4.2Å; I154-F159 HydrophobicContact CD1-CD2 4.38Å; I154-F159 HydrophobicContact CG1-CD2 4.41Å; H157-F159 HydrophobicContact CB-CD2 3.7Å; H157-F159 HydrophobicContact CB-CE1 4.3Å; H157-F159 HydrophobicContact CB-CE2 3.33Å; H157-F159 HydrophobicContact CB-CG 4.34Å; H157-F159 HydrophobicContact CB-CZ 3.66Å; H157-F159 AromaticContact CG-CE2 3.85Å; H157-F159 AromaticContact CG-CZ 3.78Å; H157-F159 PolarHBondContact O-N 3.03Å; F159-Y185 HydrophobicContact CB-CD1 4.23Å; F159-Y185 HydrophobicContact CB-CG 4.14Å; F159-C187 HydrophobicContact CD1-CB 4.1Å; F159-C187 HydrophobicContact CE1-CB 3.93Å; F159-C192 HydrophobicContact CE1-CB 4.46Å; F159-V194 HydrophobicContact CD1-CG2 4.02Å; F159-V194 HydrophobicContact CE1-CG1 4.45Å; F159-V194 HydrophobicContact CE1-CG2 3.64Å; F159-V194 HydrophobicContact CZ-CG1 4.43Å; F159-V194 HydrophobicContact CZ-CG2 3.94Å; F159-H199 HydrophobicContact CD2-CB 4.26Å; F159-H199 HydrophobicContact CE2-CB 4.5Å; F159-V202 HydrophobicContact CE2-CG2 4.13Å; F159-V202 HydrophobicContact CZ-CG2 4.01Å |
| 160 | V | 92.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | H149 V151 T162 Y185 Q186 L188 | H149-V160 HydrophobicContact CB-CG1 4.43Å; V151-V160 HydrophobicContact CB-CG1 4.5Å; V151-V160 HydrophobicContact CG2-CG1 3.91Å; V160-T162 PolarHBondContact O-N 2.94Å; V160-T162 VanDerWaalsContact O-N 3.16Å; V160-T162 PolarHBondContact O-OG1 2.88Å; V160-Y185 VanDerWaalsContact C-CD1 3.46Å; V160-Y185 CarbonylContact O-C 3.51Å; V160-Y185 VanDerWaalsContact O-CA 3.26Å; V160-Y185 WeakPolarHBondContact O-CA 3.41Å; V160-Q186 WeakPolarHBondContact CG2-O 3.37Å; V160-Q186 PolarHBondContact N-O 3.41Å; V160-Q186 PolarHBondContact O-N 2.81Å; V160-L188 HydrophobicContact CB-CD2 4.42Å; V160-L188 HydrophobicContact CG1-CD1 3.74Å; V160-L188 HydrophobicContact CG1-CD2 4.08Å; V160-L188 HydrophobicContact CG1-CG 3.85Å; V160-L188 HydrophobicContact CG2-CD2 3.47Å; V160-L188 VanDerWaalsContact CG2-CD2 3.47Å; V160-L188 HydrophobicContact CG2-CG 3.89Å |
| 161 | A | 92.8 | Very high | 89.7 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 113.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K182 G184 Y185 | A161-K182 HydrophobicContact CB-CB 4.29Å; A161-K182 HydrophobicContact CB-CD 3.87Å; A161-K182 WeakPolarHBondContact O-CD 3.46Å; A161-K182 PolarHBondContact O-NZ 2.87Å; A161-G184 WeakPolarHBondContact CA-O 3.39Å; A161-Y185 HydrophobicContact CB-CD1 4.23Å; A161-Y185 HydrophobicContact CB-CE1 3.87Å |
| 162 | T | 89.8 | Confident | 89.8 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.6 | -170.8 | -62.1 | 0 | 0 | 0 | 0 | 111 | V160 F164 K182 Q183 G184 Q186 | V160-T162 PolarHBondContact O-N 2.94Å; V160-T162 VanDerWaalsContact O-N 3.16Å; V160-T162 PolarHBondContact O-OG1 2.88Å; T162-F164 HydrophobicContact CG2-CD1 4.32Å; T162-F164 HydrophobicContact CG2-CE1 4.08Å; T162-F164 HydrophobicContact CG2-CE2 4.39Å; T162-F164 HydrophobicContact CG2-CZ 4.14Å; T162-K182 CarbonylContact O-C 3.57Å; T162-K182 WeakPolarHBondContact O-CA 3.1Å; T162-Q183 PolarHBondContact O-N 3.46Å; T162-G184 PolarHBondContact N-O 2.79Å; T162-Q186 HydrophobicContact CG2-CB 4.3Å; T162-Q186 WeakPolarHBondContact OG1-CB 3.49Å |
| 163 | F | 88.8 | Confident | 89.8 | Confident | 109 Ų | 109 | 64.7 Ų | 64.7 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | trans | -94 | 115.7 | 167.5 | -178 | -96.4 | 0 | 0 | 0 | 109.1 | R165 | F163-R165 HydrophobicContact CD1-CG 3.93Å; F163-R165 HydrophobicContact CE1-CG 3.84Å | ||
| 164 | F | 87.6 | Confident | 89.7 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -92.6 | 106.8 | -178.9 | -60.5 | -84.7 | 0 | 0 | 0 | 109.5 | T162 Q166 T168 I177 Q183 Q186 A193 | T162-F164 HydrophobicContact CG2-CD1 4.32Å; T162-F164 HydrophobicContact CG2-CE1 4.08Å; T162-F164 HydrophobicContact CG2-CE2 4.39Å; T162-F164 HydrophobicContact CG2-CZ 4.14Å; F164-Q166 VanDerWaalsContact C-N 3.25Å; F164-Q166 PolarHBondContact O-N 2.79Å; F164-T168 HydrophobicContact CD1-CG2 3.82Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.31Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.44Å; F164-I177 HydrophobicContact CD2-CB 4.46Å; F164-I177 HydrophobicContact CD2-CG2 3.67Å; F164-I177 HydrophobicContact CE2-CD1 4.34Å; F164-I177 HydrophobicContact CE2-CG2 3.76Å; F164-I177 HydrophobicContact CZ-CD1 4.39Å; F164-Q183 HydrophobicContact CD2-CB 4.39Å; F164-Q186 HydrophobicContact CE1-CB 4.16Å; F164-Q186 HydrophobicContact CE1-CG 4.41Å; F164-Q186 HydrophobicContact CZ-CB 3.98Å; F164-A193 HydrophobicContact CE1-CB 3.78Å; F164-A193 HydrophobicContact CZ-CB 3.9Å | ||
| 165 | R | 81.8 | Confident | 89.4 | Confident | 233 Ų | 233 | 62.7 Ų | 62.7 | 88% | 0.879 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.5 | -24.3 | 178.2 | -68.6 | -177.4 | 178.4 | -175.6 | -0.5 | 113.1 | F163 | F163-R165 HydrophobicContact CD1-CG 3.93Å; F163-R165 HydrophobicContact CE1-CG 3.84Å |
| 166 | Q | 84.1 | Confident | 89.3 | Confident | 155 Ų | 155 | 58.6 Ų | 58.6 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -113.6 | 151.6 | -179.8 | -73.5 | 178 | -36 | 0 | 0 | 110.8 | F164 T168 | F164-Q166 VanDerWaalsContact C-N 3.25Å; F164-Q166 PolarHBondContact O-N 2.79Å; Q166-T168 PolarHBondContact O-N 3.33Å; Q166-T168 PolarHBondContact O-OG1 3.49Å |
| 167 | P | 84.2 | Confident | 89.2 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 66% | 0.656 | 30% | 0.3 | S | S | * | . | trans | -34.4 | 106.4 | 161.5 | -40.1 | 42.6 | 0 | 0 | 0 | 115.5 | F176 | P167-F176 HydrophobicContact CB-CE1 4.32Å; P167-F176 HydrophobicContact CB-CE2 3.35Å; P167-F176 HydrophobicContact CB-CZ 3.14Å; P167-F176 HydrophobicContact CG-CE2 4.33Å; P167-F176 HydrophobicContact CG-CZ 3.66Å | ||
| 168 | T | 87.9 | Confident | 88.4 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.7 | -177.8 | -54.6 | 0 | 0 | 0 | 0 | 111 | F164 Q166 F176 I177 A193 | F164-T168 HydrophobicContact CD1-CG2 3.82Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.31Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.44Å; Q166-T168 PolarHBondContact O-N 3.33Å; Q166-T168 PolarHBondContact O-OG1 3.49Å; T168-F176 CarbonylContact O-C 3.59Å; T168-F176 WeakPolarHBondContact O-CA 3.24Å; T168-F176 WeakPolarHBondContact O-CD2 3.33Å; T168-I177 HydrophobicContact CG2-CD1 4.12Å; T168-I177 PolarHBondContact O-N 2.84Å; T168-A193 HydrophobicContact CG2-CB 3.54Å |
| 169 | F | 90.8 | Very high | 87.3 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 141.1 | 177.2 | -69 | -93.3 | 0 | 0 | 0 | 111.5 | S171 S174 F176 | F169-S171 PolarHBondContact O-N 2.97Å; F169-S174 WeakPolarHBondContact CD1-O 3.45Å; F169-F176 HydrophobicContact CD1-CD2 4.1Å; F169-F176 HydrophobicContact CD2-CD2 4.11Å; F169-F176 HydrophobicContact CD2-CE2 4.38Å; F169-F176 AromaticContact CE1-CD2 3.89Å; F169-F176 HydrophobicContact CE1-CD2 3.89Å; F169-F176 AromaticContact CE2-CD2 3.89Å; F169-F176 HydrophobicContact CE2-CD2 3.89Å; F169-F176 AromaticContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CG-CD2 4.21Å; F169-F176 AromaticContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CE2 4.07Å |
| 170 | C | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | trans | -74.5 | 124.2 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | M172 C173 S174 L175 I177 A193 V194 H195 | C170-M172 PolarHBondContact O-N 3.39Å; C170-M172 PolarHBondContact SG-N 3.39Å; C170-M172 VanDerWaalsContact SG-N 3.39Å; C170-C173 PolarHBondContact O-N 2.97Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C170-S174 VanDerWaalsContact O-CA 3.24Å; C170-S174 WeakPolarHBondContact O-CA 3.22Å; C170-S174 PolarHBondContact O-N 2.9Å; C170-L175 VanDerWaalsContact CB-O 3.31Å; C170-L175 WeakPolarHBondContact CB-O 3.43Å; C170-L175 PolarHBondContact N-O 3.11Å; C170-I177 HydrophobicContact CB-CD1 4.16Å; C170-I177 HydrophobicContact CB-CG1 3.93Å; C170-A193 CarbonylContact C-O 3.56Å; C170-A193 WeakPolarHBondContact CA-O 3.39Å; C170-V194 VanDerWaalsContact SG-CA 3.53Å; C170-H195 VanDerWaalsContact CB-CE1 3.4Å; C170-H195 WeakPolarHBondContact CB-CE1 3.36Å; C170-H195 VanDerWaalsContact CB-ND1 3.34Å; C170-H195 WeakPolarHBondContact CB-ND1 3.22Å; C170-H195 PolarHBondContact SG-N 3.27Å | ||
| 171 | S | 92.4 | Very high | 85.2 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -5 | 178.9 | -52.1 | 0 | 0 | 0 | 0 | 114.9 | F169 A193 | F169-S171 PolarHBondContact O-N 2.97Å; S171-A193 PolarHBondContact N-O 2.89Å; S171-A193 PolarHBondContact OG-O 3.39Å |
| 172 | M | 91.1 | Very high | 84.5 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -37.3 | -179.2 | -72.2 | -52.9 | -57.1 | 0 | 0 | 115.1 | C170 V194 C198 K201 V202 | C170-M172 PolarHBondContact O-N 3.39Å; C170-M172 PolarHBondContact SG-N 3.39Å; C170-M172 VanDerWaalsContact SG-N 3.39Å; M172-V194 HydrophobicContact CG-CG1 3.88Å; M172-C198 HydrophobicContact CB-CB 3.94Å; M172-C198 HydrophobicContact CG-CB 4.36Å; M172-K201 HydrophobicContact CE-CB 4.33Å; M172-K201 WeakPolarHBondContact CE-O 3.44Å; M172-V202 HydrophobicContact CG-CB 4.37Å; M172-V202 HydrophobicContact CG-CG2 3.51Å; M172-V202 WeakPolarHBondContact SD-CA 3.36Å; M172-V202 HydrophobicContact SD-CB 4.05Å; M172-V202 HydrophobicContact SD-CG1 4.28Å; M172-V202 HydrophobicContact SD-CG2 3.81Å |
| 173 | C | 90.4 | Very high | 84.1 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -2.1 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | C170 L175 H195 | C170-C173 PolarHBondContact O-N 2.97Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C173-L175 HydrophobicContact CB-CD1 4.34Å; C173-L175 HydrophobicContact CB-CG 4.05Å; C173-L175 WeakPolarHBondContact O-CG 3.31Å; C173-L175 PolarHBondContact O-N 2.97Å; C173-H195 PolarHBondContact SG-CE1 2.83Å; C173-H195 PolarHBondContact SG-ND1 3.09Å |
| 174 | S | 89.9 | Confident | 84.2 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 56% | 0.559 | 36% | 0.364 | S | S | * | . | trans | 56.7 | 19.4 | -176 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | F169 C170 | F169-S174 WeakPolarHBondContact CD1-O 3.45Å; C170-S174 VanDerWaalsContact O-CA 3.24Å; C170-S174 WeakPolarHBondContact O-CA 3.22Å; C170-S174 PolarHBondContact O-N 2.9Å | ||
| 175 | L | 85 | Confident | 84.6 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | trans | -97.1 | 153.3 | 175.4 | -50.5 | -178 | 0 | 0 | 0 | 110.4 | Q116 C170 C173 H195 | Q116-L175 VanDerWaalsContact CD-CD2 3.46Å; C170-L175 VanDerWaalsContact CB-O 3.31Å; C170-L175 WeakPolarHBondContact CB-O 3.43Å; C170-L175 PolarHBondContact N-O 3.11Å; C173-L175 HydrophobicContact CB-CD1 4.34Å; C173-L175 HydrophobicContact CB-CG 4.05Å; C173-L175 WeakPolarHBondContact O-CG 3.31Å; C173-L175 PolarHBondContact O-N 2.97Å; L175-H195 PolarHBondContact O-CE1 3.49Å | ||
| 176 | F | 85.1 | Confident | 85.2 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.5 | -177.4 | -153 | -116.7 | 0 | 0 | 0 | 112.8 | P167 T168 F169 W178 H195 | P167-F176 HydrophobicContact CB-CE1 4.32Å; P167-F176 HydrophobicContact CB-CE2 3.35Å; P167-F176 HydrophobicContact CB-CZ 3.14Å; P167-F176 HydrophobicContact CG-CE2 4.33Å; P167-F176 HydrophobicContact CG-CZ 3.66Å; T168-F176 CarbonylContact O-C 3.59Å; T168-F176 WeakPolarHBondContact O-CA 3.24Å; T168-F176 WeakPolarHBondContact O-CD2 3.33Å; F169-F176 HydrophobicContact CD1-CD2 4.1Å; F169-F176 HydrophobicContact CD2-CD2 4.11Å; F169-F176 HydrophobicContact CD2-CE2 4.38Å; F169-F176 AromaticContact CE1-CD2 3.89Å; F169-F176 HydrophobicContact CE1-CD2 3.89Å; F169-F176 AromaticContact CE2-CD2 3.89Å; F169-F176 HydrophobicContact CE2-CD2 3.89Å; F169-F176 AromaticContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CG-CD2 4.21Å; F169-F176 AromaticContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CE2 4.07Å; F176-W178 HydrophobicContact CD1-CB 3.67Å; F176-W178 AromaticContact CD1-CD1 3.55Å; F176-W178 AromaticContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CE1-CB 4.08Å; F176-H195 PolarHBondContact O-NE2 3.24Å |
| 177 | I | 85.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.3 | 174.3 | -54.6 | 172.9 | 0 | 0 | 0 | 107.3 | F164 T168 C170 Q183 A193 | F164-I177 HydrophobicContact CD2-CB 4.46Å; F164-I177 HydrophobicContact CD2-CG2 3.67Å; F164-I177 HydrophobicContact CE2-CD1 4.34Å; F164-I177 HydrophobicContact CE2-CG2 3.76Å; F164-I177 HydrophobicContact CZ-CD1 4.39Å; T168-I177 HydrophobicContact CG2-CD1 4.12Å; T168-I177 PolarHBondContact O-N 2.84Å; C170-I177 HydrophobicContact CB-CD1 4.16Å; C170-I177 HydrophobicContact CB-CG1 3.93Å; I177-Q183 HydrophobicContact CG2-CB 3.56Å; I177-A193 HydrophobicContact CD1-CB 3.81Å |
| 178 | W | 76.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | trans | -155.2 | 160.2 | -174.9 | 62.4 | -82.5 | 0 | 0 | 0 | 111.8 | R9 K118 M120 F176 Q183 | R9-W178 VanDerWaalsContact CZ-CE2 3.46Å; R9-W178 VanDerWaalsContact CZ-CZ2 3.49Å; K118-W178 HydrophobicContact CD-CH2 4.35Å; K118-W178 HydrophobicContact CD-CZ2 3.56Å; K118-W178 HydrophobicContact CG-CZ2 4.06Å; K118-W178 VanDerWaalsContact NZ-CZ2 3.34Å; M120-W178 HydrophobicContact CE-CH2 3.39Å; M120-W178 HydrophobicContact CE-CZ2 4.32Å; M120-W178 HydrophobicContact CE-CZ3 3.79Å; M120-W178 HydrophobicContact CG-CH2 3.26Å; M120-W178 HydrophobicContact CG-CZ2 4.37Å; M120-W178 HydrophobicContact CG-CZ3 3.77Å; M120-W178 HydrophobicContact SD-CE3 4.46Å; M120-W178 HydrophobicContact SD-CH2 3.15Å; M120-W178 WeakPolarHBondContact SD-CH2 3.24Å; M120-W178 HydrophobicContact SD-CZ2 4.44Å; M120-W178 HydrophobicContact SD-CZ3 3.16Å; M120-W178 WeakPolarHBondContact SD-CZ3 3.36Å; F176-W178 HydrophobicContact CD1-CB 3.67Å; F176-W178 AromaticContact CD1-CD1 3.55Å; F176-W178 AromaticContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CE1-CB 4.08Å; W178-Q183 VanDerWaalsContact C-CG 3.4Å | ||
| 179 | G | 69.7 | Low | 86.2 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | trans | 147.8 | 169.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q183 | G179-Q183 VanDerWaalsContact N-CG 3.33Å; G179-Q183 VanDerWaalsContact O-CG 3.31Å; G179-Q183 WeakPolarHBondContact O-CG 3.19Å; G179-Q183 PolarHBondContact O-NE2 3.26Å | ||
| 180 | L | 67.6 | Low | 86.3 | Confident | 172 Ų | 172 | 49.7 Ų | 49.7 | 90% | 0.901 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -84.7 | -6.6 | -177.6 | -63.4 | 172.2 | 0 | 0 | 0 | 114.2 | ||
| 181 | S | 75.1 | Confident | 86.3 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -122.3 | 179.3 | -179.6 | 68.2 | 0 | 0 | 0 | 0 | 111 | Q183 | S181-Q183 WeakPolarHBondContact O-CA 3.42Å; S181-Q183 WeakPolarHBondContact O-CG 3.35Å; S181-Q183 PolarHBondContact O-N 3.03Å; S181-Q183 PolarHBondContact O-NE2 2.67Å; S181-Q183 PolarHBondContact O-OE1 2.76Å |
| 182 | K | 77.7 | Confident | 86.3 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | trans | -47.2 | 100.3 | 173.6 | -67.6 | 178.8 | 168.8 | -153.3 | 0 | 110.7 | A161 T162 K196 | A161-K182 HydrophobicContact CB-CB 4.29Å; A161-K182 HydrophobicContact CB-CD 3.87Å; A161-K182 WeakPolarHBondContact O-CD 3.46Å; A161-K182 PolarHBondContact O-NZ 2.87Å; T162-K182 CarbonylContact O-C 3.57Å; T162-K182 WeakPolarHBondContact O-CA 3.1Å; K182-K196 WeakPolarHBondContact O-CE 3.36Å; K182-K196 PolarHBondContact O-NZ 2.99Å | ||
| 183 | Q | 81.5 | Confident | 86.5 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | trans | -83.7 | -23.3 | -159.7 | -57.4 | 82.5 | 9.6 | 0 | 0 | 112.4 | T162 F164 I177 W178 G179 S181 | T162-Q183 PolarHBondContact O-N 3.46Å; F164-Q183 HydrophobicContact CD2-CB 4.39Å; I177-Q183 HydrophobicContact CG2-CB 3.56Å; W178-Q183 VanDerWaalsContact C-CG 3.4Å; G179-Q183 VanDerWaalsContact N-CG 3.33Å; G179-Q183 VanDerWaalsContact O-CG 3.31Å; G179-Q183 WeakPolarHBondContact O-CG 3.19Å; G179-Q183 PolarHBondContact O-NE2 3.26Å; S181-Q183 WeakPolarHBondContact O-CA 3.42Å; S181-Q183 WeakPolarHBondContact O-CG 3.35Å; S181-Q183 PolarHBondContact O-N 3.03Å; S181-Q183 PolarHBondContact O-NE2 2.67Å; S181-Q183 PolarHBondContact O-OE1 2.76Å | ||
| 184 | G | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | -171.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A161 T162 V194 | A161-G184 WeakPolarHBondContact CA-O 3.39Å; T162-G184 PolarHBondContact N-O 2.79Å; G184-V194 CarbonylContact C-O 3.52Å; G184-V194 VanDerWaalsContact CA-O 3.28Å; G184-V194 WeakPolarHBondContact CA-O 3.27Å |
| 185 | Y | 94.9 | Very high | 86.8 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.6 | 174.5 | -72.1 | -66.1 | 0 | 0 | 0 | 110.1 | H152 F159 V160 A161 A193 V194 K196 H199 | H152-Y185 AromaticContact CD2-CE1 3.42Å; H152-Y185 VanDerWaalsContact CD2-CE1 3.42Å; H152-Y185 WeakPolarHBondContact CD2-CE1 3.46Å; H152-Y185 AromaticContact CD2-CZ 3.64Å; H152-Y185 AromaticContact NE2-CE1 3.83Å; H152-Y185 AromaticContact NE2-CZ 3.69Å; H152-Y185 PolarHBondContact NE2-OH 3.44Å; H152-Y185 VanDerWaalsContact NE2-OH 3.15Å; F159-Y185 HydrophobicContact CB-CD1 4.23Å; F159-Y185 HydrophobicContact CB-CG 4.14Å; V160-Y185 VanDerWaalsContact C-CD1 3.46Å; V160-Y185 CarbonylContact O-C 3.51Å; V160-Y185 VanDerWaalsContact O-CA 3.26Å; V160-Y185 WeakPolarHBondContact O-CA 3.41Å; A161-Y185 HydrophobicContact CB-CD1 4.23Å; A161-Y185 HydrophobicContact CB-CE1 3.87Å; Y185-A193 WeakPolarHBondContact O-CA 3.47Å; Y185-V194 PolarHBondContact N-O 3.46Å; Y185-V194 PolarHBondContact O-N 3.45Å; Y185-K196 HydrophobicContact CD2-CB 4.42Å; Y185-K196 HydrophobicContact CD2-CG 4.29Å; Y185-K196 HydrophobicContact CE2-CB 4Å; Y185-K196 HydrophobicContact CE2-CG 3.94Å; Y185-H199 HydrophobicContact CD2-CB 3.75Å; Y185-H199 AromaticContact CD2-CG 3.66Å; Y185-H199 HydrophobicContact CE2-CB 4.42Å; Y185-H199 AromaticContact CE2-CD2 3.93Å; Y185-H199 AromaticContact CE2-CG 3.83Å; Y185-H199 AromaticContact CE2-ND1 3.86Å; Y185-H199 HydrophobicContact CG-CB 4.44Å |
| 186 | Q | 94.2 | Very high | 87.2 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.3 | 168.7 | -166.1 | 176.3 | 26.6 | 0 | 0 | 109.4 | V160 T162 F164 L188 R191 C192 | V160-Q186 WeakPolarHBondContact CG2-O 3.37Å; V160-Q186 PolarHBondContact N-O 3.41Å; V160-Q186 PolarHBondContact O-N 2.81Å; T162-Q186 HydrophobicContact CG2-CB 4.3Å; T162-Q186 WeakPolarHBondContact OG1-CB 3.49Å; F164-Q186 HydrophobicContact CE1-CB 4.16Å; F164-Q186 HydrophobicContact CE1-CG 4.41Å; F164-Q186 HydrophobicContact CZ-CB 3.98Å; Q186-L188 PolarHBondContact O-N 3.39Å; Q186-R191 WeakPolarHBondContact CG-O 3.01Å; Q186-R191 PolarHBondContact NE2-O 3.41Å; Q186-C192 CarbonylContact C-O 3.55Å; Q186-C192 WeakPolarHBondContact CA-O 3.47Å |
| 187 | C | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 126.7 | 171 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | H157 S158 F159 V189 R191 C192 | H157-C187 HydrophobicContact CB-CB 4.23Å; H157-C187 PolarHBondContact ND1-SG 3.23Å; S158-C187 CarbonylContact O-C 3.46Å; S158-C187 WeakPolarHBondContact O-CA 3.49Å; F159-C187 HydrophobicContact CD1-CB 4.1Å; F159-C187 HydrophobicContact CE1-CB 3.93Å; C187-V189 PolarHBondContact O-N 3.06Å; C187-V189 PolarHBondContact SG-N 3.18Å; C187-R191 WeakPolarHBondContact O-CA 3.45Å; C187-R191 PolarHBondContact O-N 2.91Å; C187-R191 VanDerWaalsContact O-N 3.09Å; C187-C192 HydrophobicContact CB-CB 4.15Å; C187-C192 PolarHBondContact N-O 2.92Å |
| 188 | L | 92.7 | Very high | 87.8 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 52% | 0.518 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28 | 176.6 | -70 | 175.8 | 0 | 0 | 0 | 112.8 | S158 V160 Q186 | S158-L188 PolarHBondContact O-N 2.94Å; V160-L188 HydrophobicContact CB-CD2 4.42Å; V160-L188 HydrophobicContact CG1-CD1 3.74Å; V160-L188 HydrophobicContact CG1-CD2 4.08Å; V160-L188 HydrophobicContact CG1-CG 3.85Å; V160-L188 HydrophobicContact CG2-CD2 3.47Å; V160-L188 VanDerWaalsContact CG2-CD2 3.47Å; V160-L188 HydrophobicContact CG2-CG 3.89Å; Q186-L188 PolarHBondContact O-N 3.39Å |
| 189 | V | 91.4 | Very high | 88.5 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -70.4 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | C187 G208 I212 | C187-V189 PolarHBondContact O-N 3.06Å; C187-V189 PolarHBondContact SG-N 3.18Å; V189-G208 VanDerWaalsContact CG1-C 3.47Å; V189-G208 WeakPolarHBondContact CG1-O 3.21Å; V189-I212 HydrophobicContact CG2-CD1 4.02Å |
| 190 | C | 92.1 | Very high | 89.6 | Confident | 40 Ų | 40 | 55 Ų | 55 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4 | -174.5 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | H157 C192 P207 | H157-C190 PolarHBondContact CE1-SG 3.16Å; H157-C190 PolarHBondContact ND1-SG 3.47Å; C190-C192 PolarHBondContact O-N 3.48Å; C190-C192 WeakPolarHBondContact SG-CB 3.48Å; C190-P207 HydrophobicContact CB-CG 3.76Å |
| 191 | R | 92.9 | Very high | 90.8 | Very high | 165 Ų | 165 | 53.8 Ų | 53.8 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | trans | 60.8 | 7.3 | -177.7 | -55.3 | -62.8 | -173 | 151.6 | 1.3 | 116.4 | Q186 C187 A193 | Q186-R191 WeakPolarHBondContact CG-O 3.01Å; Q186-R191 PolarHBondContact NE2-O 3.41Å; C187-R191 WeakPolarHBondContact O-CA 3.45Å; C187-R191 PolarHBondContact O-N 2.91Å; C187-R191 VanDerWaalsContact O-N 3.09Å; R191-A193 PolarHBondContact O-N 2.84Å | ||
| 192 | C | 93.2 | Very high | 91.4 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -49.3 | 124.9 | 172.3 | 176 | 0 | 0 | 0 | 0 | 110.5 | F159 Q186 C187 C190 | F159-C192 HydrophobicContact CE1-CB 4.46Å; Q186-C192 CarbonylContact C-O 3.55Å; Q186-C192 WeakPolarHBondContact CA-O 3.47Å; C187-C192 HydrophobicContact CB-CB 4.15Å; C187-C192 PolarHBondContact N-O 2.92Å; C190-C192 PolarHBondContact O-N 3.48Å; C190-C192 WeakPolarHBondContact SG-CB 3.48Å | ||
| 193 | A | 94.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F164 T168 C170 S171 I177 Y185 R191 | F164-A193 HydrophobicContact CE1-CB 3.78Å; F164-A193 HydrophobicContact CZ-CB 3.9Å; T168-A193 HydrophobicContact CG2-CB 3.54Å; C170-A193 CarbonylContact C-O 3.56Å; C170-A193 WeakPolarHBondContact CA-O 3.39Å; S171-A193 PolarHBondContact N-O 2.89Å; S171-A193 PolarHBondContact OG-O 3.39Å; I177-A193 HydrophobicContact CD1-CB 3.81Å; Y185-A193 WeakPolarHBondContact O-CA 3.47Å; R191-A193 PolarHBondContact O-N 2.84Å |
| 194 | V | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.8 | -177.8 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | F159 C170 M172 G184 Y185 C198 H199 V202 | F159-V194 HydrophobicContact CD1-CG2 4.02Å; F159-V194 HydrophobicContact CE1-CG1 4.45Å; F159-V194 HydrophobicContact CE1-CG2 3.64Å; F159-V194 HydrophobicContact CZ-CG1 4.43Å; F159-V194 HydrophobicContact CZ-CG2 3.94Å; C170-V194 VanDerWaalsContact SG-CA 3.53Å; M172-V194 HydrophobicContact CG-CG1 3.88Å; G184-V194 CarbonylContact C-O 3.52Å; G184-V194 VanDerWaalsContact CA-O 3.28Å; G184-V194 WeakPolarHBondContact CA-O 3.27Å; Y185-V194 PolarHBondContact N-O 3.46Å; Y185-V194 PolarHBondContact O-N 3.45Å; V194-C198 HydrophobicContact CB-CB 4.19Å; V194-H199 HydrophobicContact CG2-CB 3.67Å; V194-V202 HydrophobicContact CG1-CG2 3.91Å |
| 195 | H | 93.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 64 Ų | 64 | 11% | 0.111 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 158.5 | 169.6 | -61.8 | 103.2 | 0 | 0 | 0 | 111.5 | C170 C173 L175 F176 R197 C198 H199 | C170-H195 VanDerWaalsContact CB-CE1 3.4Å; C170-H195 WeakPolarHBondContact CB-CE1 3.36Å; C170-H195 VanDerWaalsContact CB-ND1 3.34Å; C170-H195 WeakPolarHBondContact CB-ND1 3.22Å; C170-H195 PolarHBondContact SG-N 3.27Å; C173-H195 PolarHBondContact SG-CE1 2.83Å; C173-H195 PolarHBondContact SG-ND1 3.09Å; L175-H195 PolarHBondContact O-CE1 3.49Å; F176-H195 PolarHBondContact O-NE2 3.24Å; H195-R197 HydrophobicContact CB-CG 4.01Å; H195-R197 PolarHBondContact O-N 3.45Å; H195-C198 HydrophobicContact CB-CB 4Å; H195-C198 PolarHBondContact O-N 3.2Å; H195-H199 PolarHBondContact O-N 3.47Å; H195-H199 VanDerWaalsContact O-N 3.15Å |
| 196 | K | 92 | Very high | 92 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -37.3 | 169.6 | -65.7 | -176 | -175.8 | 168.2 | 0 | 113.1 | K182 Y185 H199 | K182-K196 WeakPolarHBondContact O-CE 3.36Å; K182-K196 PolarHBondContact O-NZ 2.99Å; Y185-K196 HydrophobicContact CD2-CB 4.42Å; Y185-K196 HydrophobicContact CD2-CG 4.29Å; Y185-K196 HydrophobicContact CE2-CB 4Å; Y185-K196 HydrophobicContact CE2-CG 3.94Å; K196-H199 PolarHBondContact O-CE1 3.25Å; K196-H199 PolarHBondContact O-ND1 2.85Å |
| 197 | R | 91.9 | Very high | 91.6 | Very high | 127 Ų | 127 | 66.7 Ų | 66.7 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -18.8 | 175.9 | 66.2 | -178.7 | 179.5 | -176.1 | -1.1 | 114.6 | H195 | H195-R197 HydrophobicContact CB-CG 4.01Å; H195-R197 PolarHBondContact O-N 3.45Å |
| 198 | C | 92.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -22.5 | -173.1 | -70.3 | 0 | 0 | 0 | 0 | 113.3 | M172 V194 H195 A200 K201 V202 | M172-C198 HydrophobicContact CB-CB 3.94Å; M172-C198 HydrophobicContact CG-CB 4.36Å; V194-C198 HydrophobicContact CB-CB 4.19Å; H195-C198 HydrophobicContact CB-CB 4Å; H195-C198 PolarHBondContact O-N 3.2Å; C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.49Å; C198-K201 PolarHBondContact O-N 3.25Å; C198-V202 PolarHBondContact O-N 2.71Å |
| 199 | H | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 65 Ų | 65 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -55.6 | -42.8 | -176.9 | 78.2 | -55.3 | 0 | 0 | 0 | 113.3 | H152 I154 F159 Y185 V194 H195 K196 K201 V202 | H152-H199 AromaticContact ND1-NE2 3.7Å; I154-H199 VanDerWaalsContact CD1-C 3.41Å; I154-H199 HydrophobicContact CD1-CB 3.99Å; I154-H199 WeakPolarHBondContact CD1-CD2 3.3Å; I154-H199 VanDerWaalsContact CD1-O 3.24Å; I154-H199 WeakPolarHBondContact CD1-O 3.16Å; F159-H199 HydrophobicContact CD2-CB 4.26Å; F159-H199 HydrophobicContact CE2-CB 4.5Å; Y185-H199 HydrophobicContact CD2-CB 3.75Å; Y185-H199 AromaticContact CD2-CG 3.66Å; Y185-H199 HydrophobicContact CE2-CB 4.42Å; Y185-H199 AromaticContact CE2-CD2 3.93Å; Y185-H199 AromaticContact CE2-CG 3.83Å; Y185-H199 AromaticContact CE2-ND1 3.86Å; Y185-H199 HydrophobicContact CG-CB 4.44Å; V194-H199 HydrophobicContact CG2-CB 3.67Å; H195-H199 PolarHBondContact O-N 3.47Å; H195-H199 VanDerWaalsContact O-N 3.15Å; K196-H199 PolarHBondContact O-CE1 3.25Å; K196-H199 PolarHBondContact O-ND1 2.85Å; H199-K201 PolarHBondContact O-N 3.25Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 VanDerWaalsContact O-CG2 3.27Å; H199-V202 WeakPolarHBondContact O-CG2 3.49Å; H199-V202 PolarHBondContact O-N 3.46Å |
| 200 | A | 91.7 | Very high | 87.6 | Confident | 72 Ų | 72 | 67 Ų | 67 | 60% | 0.595 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -63.7 | -22.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | C198 | C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.49Å |
| 201 | K | 91.9 | Very high | 85.9 | Confident | 148 Ų | 148 | 74.2 Ų | 74.2 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -92.5 | -2.6 | -178.1 | -58.5 | -175.4 | -178.7 | -173.8 | 0 | 112.7 | M172 C198 H199 L203 | M172-K201 HydrophobicContact CE-CB 4.33Å; M172-K201 WeakPolarHBondContact CE-O 3.44Å; C198-K201 PolarHBondContact O-N 3.25Å; H199-K201 PolarHBondContact O-N 3.25Å; K201-L203 PolarHBondContact O-N 3.12Å |
| 202 | V | 89.3 | Confident | 84 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -59.2 | 119.8 | -177 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | I154 R155 F159 M172 V194 C198 H199 | I154-V202 HydrophobicContact CG2-CB 4.5Å; R155-V202 WeakPolarHBondContact CD-O 3.32Å; R155-V202 PolarHBondContact NE-O 3.14Å; F159-V202 HydrophobicContact CE2-CG2 4.13Å; F159-V202 HydrophobicContact CZ-CG2 4.01Å; M172-V202 HydrophobicContact CG-CB 4.37Å; M172-V202 HydrophobicContact CG-CG2 3.51Å; M172-V202 WeakPolarHBondContact SD-CA 3.36Å; M172-V202 HydrophobicContact SD-CB 4.05Å; M172-V202 HydrophobicContact SD-CG1 4.28Å; M172-V202 HydrophobicContact SD-CG2 3.81Å; V194-V202 HydrophobicContact CG1-CG2 3.91Å; C198-V202 PolarHBondContact O-N 2.71Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 VanDerWaalsContact O-CG2 3.27Å; H199-V202 WeakPolarHBondContact O-CG2 3.49Å; H199-V202 PolarHBondContact O-N 3.46Å | ||
| 203 | L | 88.6 | Confident | 81.7 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | trans | -93.1 | -32.9 | -178.6 | -62.5 | -176.8 | 0 | 0 | 0 | 113.1 | R155 K201 | R155-L203 WeakPolarHBondContact CD-O 3.25Å; R155-L203 PolarHBondContact NH1-O 3.43Å; R155-L203 VanDerWaalsContact NH2-CD2 3.33Å; K201-L203 PolarHBondContact O-N 3.12Å | ||
| 204 | S | 87.5 | Confident | 79.5 | Confident | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -69.4 | 147.1 | 179.3 | 49 | 0 | 0 | 0 | 0 | 111.7 | H157 | H157-S204 PolarHBondContact NE2-O 3.2Š|
| 205 | R | 89.9 | Confident | 77.3 | Confident | 213 Ų | 213 | 89.5 Ų | 89.5 | 80% | 0.804 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 150.4 | 169.6 | -67.8 | -176.8 | 179.6 | -173.3 | -0.1 | 109.5 | R155 P207 | R155-R205 HydrophobicContact CB-CG 4.5Å; R155-R205 WeakPolarHBondContact O-CA 3.22Å; R205-P207 WeakPolarHBondContact O-CD 3.42Å |
| 206 | C | 91.1 | Very high | 75 | Confident | 10 Ų | 10 | 95.1 Ų | 95.1 | 7% | 0.068 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.4 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | R155 G156 H157 G208 A209 | R155-C206 PolarHBondContact O-N 3.13Å; R155-C206 VanDerWaalsContact O-N 3.12Å; G156-C206 VanDerWaalsContact C-CB 3.42Å; G156-C206 VanDerWaalsContact O-CB 3.25Å; G156-C206 WeakPolarHBondContact O-CB 3.42Å; H157-C206 HydrophobicContact CB-CB 4.37Å; H157-C206 VanDerWaalsContact CE1-CA 3.49Å; H157-C206 WeakPolarHBondContact CE1-CA 3.47Å; H157-C206 WeakPolarHBondContact NE2-CA 3.4Å; H157-C206 PolarHBondContact NE2-N 3.16Å; C206-G208 PolarHBondContact O-N 2.76Å; C206-A209 HydrophobicContact CB-CB 3.99Å; C206-A209 PolarHBondContact O-N 3.41Å |
| 207 | P | 86.7 | Confident | 72.6 | Confident | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.2 | -178.4 | 26.2 | -34.8 | 0 | 0 | 0 | 112.9 | C190 R205 | C190-P207 HydrophobicContact CB-CG 3.76Å; R205-P207 WeakPolarHBondContact O-CD 3.42Å |
| 208 | G | 73.1 | Confident | 70.2 | Confident | 20 Ų | 20 | 99.2 Ų | 99.2 | 21% | 0.206 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 6.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V189 C206 G210 W211 | V189-G208 VanDerWaalsContact CG1-C 3.47Å; V189-G208 WeakPolarHBondContact CG1-O 3.21Å; C206-G208 PolarHBondContact O-N 2.76Å; G208-G210 PolarHBondContact O-N 2.91Å; G208-W211 PolarHBondContact O-NE1 3.16Å |
| 209 | A | 64.8 | Low | 67.6 | Low | 43 Ų | 43 | 104.1 Ų | 104.1 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -71.3 | -3.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C206 W211 | C206-A209 HydrophobicContact CB-CB 3.99Å; C206-A209 PolarHBondContact O-N 3.41Å; A209-W211 PolarHBondContact O-N 3.19Å; A209-W211 VanDerWaalsContact O-N 3.16Å |
| 210 | G | 57.1 | Low | 65.1 | Low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -71.4 | 2.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G208 | G208-G210 PolarHBondContact O-N 2.91Š|
| 211 | W | 56.5 | Low | 63.8 | Low | 191 Ų | 191 | 116.2 Ų | 116.2 | 72% | 0.723 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -134.4 | 4.4 | -176.2 | 70.2 | -83.2 | 0 | 0 | 0 | 116.4 | G208 A209 | G208-W211 PolarHBondContact O-NE1 3.16Å; A209-W211 PolarHBondContact O-N 3.19Å; A209-W211 VanDerWaalsContact O-N 3.16Å |
| 212 | I | 51 | Low | 62.3 | Low | 88 Ų | 88 | 114.5 Ų | 114.5 | 45% | 0.451 | 62% | 0.623 | S | S | . | * | trans | -113.2 | 73.1 | 177.9 | -50.9 | 173.2 | 0 | 0 | 0 | 109.1 | V189 K214 | V189-I212 HydrophobicContact CG2-CD1 4.02Å; I212-K214 PolarHBondContact O-N 3.28Å | ||
| 213 | T | 45.1 | Very low | 60.8 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -65.2 | 119.8 | 157.7 | 33 | 0 | 0 | 0 | 0 | 107.6 | E215 | T213-E215 PolarHBondContact O-N 3.17Š| ||
| 214 | K | 49.5 | Very low | 59.2 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -74.4 | 38.7 | 170.1 | -67.8 | 177.5 | -175.5 | 162.3 | 0 | 111.3 | E153 I212 | E153-K214 IonicContact OE2-NZ 3.3Å; E153-K214 PolarHBondContact OE2-NZ 3.21Å; I212-K214 PolarHBondContact O-N 3.28Å | ||
| 215 | E | 46.9 | Very low | 57.4 | Low | 161 Ų | 161 | 124.3 Ų | 124.3 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | -114.6 | 73.5 | -179.7 | -72.9 | 178.5 | 169.3 | 0 | 0 | 109.1 | T213 | T213-E215 PolarHBondContact O-N 3.17Š| ||
| 216 | T | 45 | Very low | 55.2 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 87% | 0.871 | 66% | 0.663 | S | S | * | * | trans | -144.4 | 64.4 | 149.4 | -30 | 0 | 0 | 0 | 0 | 108 | ||||
| 217 | M | 41.6 | Very low | 52.7 | Low | 178 Ų | 178 | 126.1 Ų | 126.1 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -119.2 | 85.8 | 159 | -81.3 | -156.4 | 170.3 | 0 | 0 | 108.2 | ||||
| 218 | V | 42.7 | Very low | 50.1 | Low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | -152.3 | 91.2 | 149.7 | -172.5 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 219 | T | 36.8 | Very low | 48.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | 57.4 | 109.7 | 85.1 | -37 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 220 | I | 40.6 | Very low | 46.6 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 100% | 1.221 | 78% | 0.779 | S | S | * | * | trans | 72.2 | 0 | 168.3 | -23.6 | -178.8 | 0 | 0 | 0 | 116.7 |
Retrieved 220 of 220 residues in 202.7 ms
(Link to these results)