| 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 | 32.5 | Very low | 56.9 | Low | 243 Ų | 243 | 110.2 Ų | 110.2 | 100% | 1.197 | 64% | 0.639 | S | S | * | * | 0 | 88 | 0 | -67 | 154 | 97.4 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.31Š| |||
| 2 | Q | 41.6 | Very low | 59.5 | Low | 190 Ų | 190 | 101.9 Ų | 101.9 | 89% | 0.888 | 59% | 0.59 | S | S | * | * | trans | -73.4 | 121.8 | 165.4 | -65 | -172.2 | 22.8 | 0 | 0 | 104.9 | N4 | Q2-N4 PolarHBondContact O-N 3.12Š| ||
| 3 | S | 40.4 | Very low | 61.6 | Low | 109 Ų | 109 | 100.4 Ų | 100.4 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | trans | -48.5 | 134.3 | -179.8 | 39.9 | 0 | 0 | 0 | 0 | 109 | M1 G5 | M1-S3 PolarHBondContact O-N 3.31Å; S3-G5 PolarHBondContact O-N 3.12Å | ||
| 4 | N | 44 | Very low | 63.4 | Low | 164 Ų | 164 | 97.3 Ų | 97.3 | 88% | 0.877 | 58% | 0.575 | S | S | * | * | trans | -67.7 | 54.9 | 160.8 | -70.2 | -20.3 | 0 | 0 | 0 | 108.3 | Q2 V6 | Q2-N4 PolarHBondContact O-N 3.12Å; N4-V6 PolarHBondContact O-N 3.46Å | ||
| 5 | G | 46.7 | Very low | 65.1 | Low | 49 Ų | 49 | 98.8 Ų | 98.8 | 51% | 0.505 | 57% | 0.574 | S | S | . | * | trans | -61.1 | 109.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | S3 T7 | S3-G5 PolarHBondContact O-N 3.12Å; G5-T7 PolarHBondContact O-N 3.29Å | ||
| 6 | V | 49.6 | Very low | 66.6 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 70% | 0.703 | 58% | 0.577 | S | S | * | * | trans | -50.3 | 98 | 159.2 | 178.6 | 0 | 0 | 0 | 0 | 104.4 | N4 L8 | N4-V6 PolarHBondContact O-N 3.46Å; V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 3.27Å | ||
| 7 | T | 54.8 | Low | 68.1 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | trans | -62.7 | 105.5 | 167.5 | 34.9 | 0 | 0 | 0 | 0 | 103.1 | G5 E12 | G5-T7 PolarHBondContact O-N 3.29Å; T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 WeakPolarHBondContact O-CG 3.48Å; T7-E12 PolarHBondContact OG1-OE1 3.2Å | ||
| 8 | L | 64.5 | Low | 69.4 | Low | 167 Ų | 167 | 98.2 Ų | 98.2 | 87% | 0.874 | 57% | 0.565 | S | S | * | * | trans | -95.1 | 91.8 | 173.8 | -168.8 | 78.3 | 0 | 0 | 0 | 104.7 | V6 | V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 3.27Å | ||
| 9 | G | 78.9 | Confident | 70.7 | Confident | 38 Ų | 38 | 94.5 Ų | 94.5 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | trans | -141.1 | 170.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E12 | G9-E12 WeakPolarHBondContact O-CB 3.29Å; G9-E12 WeakPolarHBondContact O-CG 3.47Å; G9-E12 PolarHBondContact O-N 2.65Å | ||
| 10 | I | 86.4 | Confident | 71.9 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 28% | 0.277 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 139.6 | 173.5 | 60.6 | 167 | 0 | 0 | 0 | 109.8 | E12 H17 L45 L46 P47 | I10-E12 VanDerWaalsContact C-N 3.29Å; I10-E12 PolarHBondContact O-N 3.35Å; I10-H17 HydrophobicContact CB-CB 4.26Å; I10-H17 WeakPolarHBondContact CG2-ND1 3.38Å; I10-L45 HydrophobicContact CD1-CB 3.37Å; I10-L45 WeakPolarHBondContact CD1-O 3.37Å; I10-L46 HydrophobicContact CB-CD2 4.43Å; I10-L46 HydrophobicContact CD1-CD2 4.15Å; I10-L46 HydrophobicContact CG1-CD2 3.98Å; I10-P47 WeakPolarHBondContact O-CD 3.21Å |
| 11 | G | 86.8 | Confident | 73 | Confident | 12 Ų | 12 | 96.6 Ų | 96.6 | 12% | 0.124 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G14 Q15 | G11-G14 PolarHBondContact O-N 2.83Å; G11-G14 VanDerWaalsContact O-N 3.16Å; G11-Q15 VanDerWaalsContact CA-O 3.26Å; G11-Q15 WeakPolarHBondContact CA-O 3.42Å |
| 12 | E | 87.2 | Confident | 76 | Confident | 11 Ų | 11 | 91.6 Ų | 91.6 | 5% | 0.051 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -61.8 | 144.3 | -179.4 | -76.8 | -69.7 | 162.2 | 0 | 0 | 112.8 | T7 G9 I10 G14 Q15 C50 S51 | T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 WeakPolarHBondContact O-CG 3.48Å; T7-E12 PolarHBondContact OG1-OE1 3.2Å; G9-E12 WeakPolarHBondContact O-CB 3.29Å; G9-E12 WeakPolarHBondContact O-CG 3.47Å; G9-E12 PolarHBondContact O-N 2.65Å; I10-E12 VanDerWaalsContact C-N 3.29Å; I10-E12 PolarHBondContact O-N 3.35Å; E12-G14 PolarHBondContact O-N 2.84Å; E12-Q15 WeakPolarHBondContact O-CB 3.09Å; E12-Q15 VanDerWaalsContact O-CG 3.27Å; E12-Q15 WeakPolarHBondContact O-CG 3.44Å; E12-Q15 PolarHBondContact O-N 3.17Å; E12-C50 WeakPolarHBondContact OE1-CA 3.17Å; E12-C50 WeakPolarHBondContact OE1-CB 3.31Å; E12-S51 WeakPolarHBondContact OE2-CB 3.48Å; E12-S51 PolarHBondContact OE2-N 3.15Å |
| 13 | H | 87.5 | Confident | 78.5 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | 53.8 | 20.4 | -174.3 | -56.4 | -69.3 | 0 | 0 | 0 | 113.8 | S51 N53 | H13-S51 VanDerWaalsContact CA-O 3.28Å; H13-S51 WeakPolarHBondContact CA-O 3.13Å; H13-S51 PolarHBondContact N-O 3.35Å; H13-N53 PolarHBondContact O-ND2 2.8Å |
| 14 | G | 86.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | 74.6 | 19.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G11 E12 | G11-G14 PolarHBondContact O-N 2.83Å; G11-G14 VanDerWaalsContact O-N 3.16Å; E12-G14 PolarHBondContact O-N 2.84Å |
| 15 | Q | 89.2 | Confident | 83.5 | Confident | 120 Ų | 120 | 81.2 Ų | 81.2 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | trans | -70 | 139.6 | 176.3 | -67.2 | -57.4 | -52.3 | 0 | 0 | 111.6 | G11 E12 | G11-Q15 VanDerWaalsContact CA-O 3.26Å; G11-Q15 WeakPolarHBondContact CA-O 3.42Å; E12-Q15 WeakPolarHBondContact O-CB 3.09Å; E12-Q15 VanDerWaalsContact O-CG 3.27Å; E12-Q15 WeakPolarHBondContact O-CG 3.44Å; E12-Q15 PolarHBondContact O-N 3.17Å | ||
| 16 | P | 89.5 | Confident | 85.9 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | trans | -67 | 143.5 | 176.8 | 29.1 | -34.7 | 0 | 0 | 0 | 110.9 | I18 | P16-I18 HydrophobicContact CB-CD1 4.3Š| ||
| 17 | H | 90.8 | Very high | 88.1 | Confident | 52 Ų | 52 | 82 Ų | 82 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | trans | -96.9 | 115.9 | 168.6 | -178 | 57.8 | 0 | 0 | 0 | 109.8 | I10 V42 | I10-H17 HydrophobicContact CB-CB 4.26Å; I10-H17 WeakPolarHBondContact CG2-ND1 3.38Å; H17-V42 HydrophobicContact CB-CG1 3.96Å | ||
| 18 | I | 92.5 | Very high | 90.1 | Very high | 136 Ų | 136 | 82.7 Ų | 82.7 | 70% | 0.697 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 120.2 | -179.6 | -52.1 | -57 | 0 | 0 | 0 | 109.3 | P16 | P16-I18 HydrophobicContact CB-CD1 4.3Š|
| 19 | L | 93.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 75.6 Ų | 75.6 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 144.2 | 176.1 | -63.8 | -176.5 | 0 | 0 | 0 | 111.2 | Q23 V29 Y41 V42 L45 | L19-Q23 HydrophobicContact CB-CB 4.05Å; L19-Q23 HydrophobicContact CD2-CB 4.32Å; L19-V29 HydrophobicContact CD1-CG1 4.25Å; L19-V29 HydrophobicContact CD1-CG2 4.09Å; L19-Y41 HydrophobicContact CD1-CD1 3.93Å; L19-Y41 HydrophobicContact CD1-CE1 4.32Å; L19-Y41 HydrophobicContact CD2-CD1 3.86Å; L19-Y41 HydrophobicContact CD2-CE1 3.72Å; L19-V42 HydrophobicContact CD1-CG2 3.99Å; L19-V42 HydrophobicContact CD2-CG2 3.72Å; L19-V42 HydrophobicContact CG-CG2 3.8Å; L19-L45 HydrophobicContact CD2-CD1 4.39Å |
| 20 | S | 94.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 78.3 Ų | 78.3 | 33% | 0.329 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 159.4 | 170.2 | 79.2 | 0 | 0 | 0 | 0 | 111 | Q22 Q23 T24 | S20-Q22 PolarHBondContact O-N 3.22Å; S20-Q22 PolarHBondContact OG-OE1 2.76Å; S20-Q23 PolarHBondContact O-N 3.46Å; S20-Q23 WeakPolarHBondContact OG-CG 3.08Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 3.22Å; S20-T24 PolarHBondContact O-N 3.19Å; S20-T24 PolarHBondContact O-OG1 2.92Å; S20-T24 VanDerWaalsContact O-OG1 3.05Å |
| 21 | K | 95.5 | Very high | 92.8 | Very high | 185 Ų | 185 | 81.2 Ų | 81.2 | 80% | 0.804 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -55.4 | -36.2 | 176.5 | -69.8 | -176.6 | 178 | -179.6 | 0 | 112.3 | ||
| 22 | Q | 95.7 | Very high | 93.1 | Very high | 139 Ų | 139 | 81.6 Ų | 81.6 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70 | -36 | 177.4 | -59.1 | 84.2 | -4.9 | 0 | 0 | 112.1 | S20 V25 | S20-Q22 PolarHBondContact O-N 3.22Å; S20-Q22 PolarHBondContact OG-OE1 2.76Å; Q22-V25 WeakPolarHBondContact O-CG2 3.28Å |
| 23 | Q | 95.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 87.4 Ų | 87.4 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 177 | -71.8 | 172.6 | -50.2 | 0 | 0 | 111.5 | L19 S20 V25 L26 V29 | L19-Q23 HydrophobicContact CB-CB 4.05Å; L19-Q23 HydrophobicContact CD2-CB 4.32Å; S20-Q23 PolarHBondContact O-N 3.46Å; S20-Q23 WeakPolarHBondContact OG-CG 3.08Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 3.22Å; Q23-V25 PolarHBondContact O-N 3.33Å; Q23-L26 HydrophobicContact CB-CD1 4.48Å; Q23-L26 VanDerWaalsContact O-CB 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.31Å; Q23-L26 WeakPolarHBondContact O-CG 3.19Å; Q23-L26 PolarHBondContact O-N 3.13Å; Q23-V29 WeakPolarHBondContact O-CG2 3.43Å |
| 24 | T | 93.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 93.4 Ų | 93.4 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -28.8 | -178.9 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | S20 L26 | S20-T24 PolarHBondContact O-N 3.19Å; S20-T24 PolarHBondContact O-OG1 2.92Å; S20-T24 VanDerWaalsContact O-OG1 3.05Å; T24-L26 VanDerWaalsContact C-N 3.34Å |
| 25 | V | 95.1 | Very high | 93.8 | Very high | 116 Ų | 116 | 96.3 Ų | 96.3 | 70% | 0.703 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.3 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | Q22 Q23 | Q22-V25 WeakPolarHBondContact O-CG2 3.28Å; Q23-V25 PolarHBondContact O-N 3.33Å |
| 26 | L | 96.8 | Very high | 93.6 | Very high | 70 Ų | 70 | 92.4 Ų | 92.4 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | trans | -67.1 | 128 | 176.7 | -67.4 | 173.4 | 0 | 0 | 0 | 109.7 | Q23 T24 L28 V29 Y41 | Q23-L26 HydrophobicContact CB-CD1 4.48Å; Q23-L26 VanDerWaalsContact O-CB 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.31Å; Q23-L26 WeakPolarHBondContact O-CG 3.19Å; Q23-L26 PolarHBondContact O-N 3.13Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.17Å; L26-V29 HydrophobicContact CB-CG2 4.22Å; L26-V29 WeakPolarHBondContact O-CB 3.46Å; L26-V29 PolarHBondContact O-N 2.98Å; L26-Y41 HydrophobicContact CD1-CE2 4.3Å | ||
| 27 | P | 96.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 90.4 Ų | 90.4 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -55.9 | -26.3 | 179.5 | -27 | 34.5 | 0 | 0 | 0 | 113.9 | V29 K31 | P27-V29 VanDerWaalsContact C-N 3.32Å; P27-V29 PolarHBondContact O-N 3.41Å; P27-K31 WeakPolarHBondContact O-CB 3.41Å; P27-K31 PolarHBondContact O-N 2.76Å; P27-K31 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 95.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 91 Ų | 91 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | 178.1 | -173.2 | 62.4 | 0 | 0 | 0 | 112.9 | L26 L32 Y41 | L26-L28 PolarHBondContact O-N 3.17Å; L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 3.96Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.83Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.01Å; L28-Y41 HydrophobicContact CD2-CD2 4.02Å; L28-Y41 HydrophobicContact CD2-CE2 4.22Å; L28-Y41 HydrophobicContact CG-CD2 4.25Å |
| 29 | V | 95.8 | Very high | 93.6 | Very high | 17 Ų | 17 | 86.5 Ų | 86.5 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.6 | -53.3 | 179.4 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | L19 Q23 L26 P27 K31 L32 Y33 Y41 | L19-V29 HydrophobicContact CD1-CG1 4.25Å; L19-V29 HydrophobicContact CD1-CG2 4.09Å; Q23-V29 WeakPolarHBondContact O-CG2 3.43Å; L26-V29 HydrophobicContact CB-CG2 4.22Å; L26-V29 WeakPolarHBondContact O-CB 3.46Å; L26-V29 PolarHBondContact O-N 2.98Å; P27-V29 VanDerWaalsContact C-N 3.32Å; P27-V29 PolarHBondContact O-N 3.41Å; V29-K31 PolarHBondContact O-N 2.65Å; V29-L32 PolarHBondContact O-N 3.07Å; V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; V29-Y41 HydrophobicContact CG2-CD1 3.9Å; V29-Y41 HydrophobicContact CG2-CD2 4.1Å; V29-Y41 HydrophobicContact CG2-CE1 4.39Å; V29-Y41 HydrophobicContact CG2-CG 3.74Å |
| 30 | D | 95.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 85.1 Ų | 85.1 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 179.5 | -81.6 | -6.1 | 0 | 0 | 0 | 112.4 | Y33 R34 | D30-Y33 PolarHBondContact O-N 3.26Å; D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.75Å |
| 31 | K | 95.6 | Very high | 93.3 | Very high | 115 Ų | 115 | 84.6 Ų | 84.6 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -55.3 | 176.5 | -179.7 | -174.8 | 170.6 | -173.9 | 0 | 110.9 | P27 V29 Y33 R34 E35 | P27-K31 WeakPolarHBondContact O-CB 3.41Å; P27-K31 PolarHBondContact O-N 2.76Å; P27-K31 VanDerWaalsContact O-N 3.13Å; V29-K31 PolarHBondContact O-N 2.65Å; K31-Y33 VanDerWaalsContact C-N 3.25Å; K31-Y33 PolarHBondContact O-N 2.77Å; K31-R34 PolarHBondContact O-N 3.01Å; K31-E35 WeakPolarHBondContact CE-OE1 3.47Å; K31-E35 IonicContact NZ-OE1 3.89Å; K31-E35 WeakPolarHBondContact O-CG 3.24Å; K31-E35 PolarHBondContact O-N 2.89Å |
| 32 | L | 92 | Very high | 93.2 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -31.7 | -179 | -70.7 | 175 | 0 | 0 | 0 | 111.9 | L28 V29 N36 | L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 3.96Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.83Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.01Å; V29-L32 PolarHBondContact O-N 3.07Å; L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.84Å |
| 33 | Y | 93.1 | Very high | 92.9 | Very high | 132 Ų | 132 | 72.4 Ų | 72.4 | 52% | 0.518 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.5 | -171 | -94.3 | 0 | 0 | 0 | 112.4 | V29 D30 K31 G37 Y38 | V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; D30-Y33 PolarHBondContact O-N 3.26Å; K31-Y33 VanDerWaalsContact C-N 3.25Å; K31-Y33 PolarHBondContact O-N 2.77Å; Y33-G37 WeakPolarHBondContact O-CA 3.44Å; Y33-G37 PolarHBondContact O-N 3.41Å; Y33-Y38 WeakPolarHBondContact CA-O 3.47Å; Y33-Y38 VanDerWaalsContact CD2-C 3.43Å |
| 34 | R | 93.2 | Very high | 92.5 | Very high | 208 Ų | 208 | 74.2 Ų | 74.2 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68 | -35.4 | 178.5 | -70.1 | 175.6 | -173.2 | -137.2 | 3.4 | 113 | D30 K31 | D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.75Å; K31-R34 PolarHBondContact O-N 3.01Å |
| 35 | E | 89.4 | Confident | 92.3 | Very high | 118 Ų | 118 | 74.1 Ų | 74.1 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.1 | -35.3 | -179.7 | -73.5 | 173.3 | 173.1 | 0 | 0 | 112.8 | K31 | K31-E35 WeakPolarHBondContact CE-OE1 3.47Å; K31-E35 IonicContact NZ-OE1 3.89Å; K31-E35 WeakPolarHBondContact O-CG 3.24Å; K31-E35 PolarHBondContact O-N 2.89Å |
| 36 | N | 86.3 | Confident | 91.9 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -112.1 | -15.1 | -172.5 | -53 | -74.2 | 0 | 0 | 0 | 114.3 | L32 Y38 K105 | L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.84Å; N36-Y38 HydrophobicContact CB-CD1 3.94Å; N36-Y38 HydrophobicContact CB-CD2 4.44Å; N36-Y38 HydrophobicContact CB-CE1 3.64Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 WeakPolarHBondContact O-CD1 3.32Å; N36-Y38 PolarHBondContact O-N 3.04Å; N36-K105 PolarHBondContact OD1-NZ 2.83Å |
| 37 | G | 90.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 70 Ų | 70 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 77 | 5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y33 | Y33-G37 WeakPolarHBondContact O-CA 3.44Å; Y33-G37 PolarHBondContact O-N 3.41Å |
| 38 | Y | 90.1 | Very high | 90.5 | Very high | 64 Ų | 64 | 68 Ų | 68 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -147.7 | 172.4 | 176.8 | 62.1 | -100.6 | 0 | 0 | 0 | 110.3 | Y33 N36 G40 E81 H82 | Y33-Y38 WeakPolarHBondContact CA-O 3.47Å; Y33-Y38 VanDerWaalsContact CD2-C 3.43Å; N36-Y38 HydrophobicContact CB-CD1 3.94Å; N36-Y38 HydrophobicContact CB-CD2 4.44Å; N36-Y38 HydrophobicContact CB-CE1 3.64Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 WeakPolarHBondContact O-CD1 3.32Å; N36-Y38 PolarHBondContact O-N 3.04Å; Y38-G40 VanDerWaalsContact C-N 3.29Å; Y38-G40 PolarHBondContact O-N 3.15Å; Y38-E81 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E81 PolarHBondContact OH-OE1 3.38Å; Y38-H82 PolarHBondContact OH-CD2 3.14Å |
| 39 | S | 91.2 | Very high | 89.8 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | trans | -71.4 | 80.4 | -179.6 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | Y41 V42 S43 | S39-Y41 PolarHBondContact O-N 3.43Å; S39-V42 PolarHBondContact O-N 2.9Å; S39-V42 WeakPolarHBondContact OG-CB 3.43Å; S39-V42 WeakPolarHBondContact OG-CG2 3.07Å; S39-V42 PolarHBondContact OG-N 2.89Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.48Å | ||
| 40 | G | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -32.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y38 S43 N44 | Y38-G40 VanDerWaalsContact C-N 3.29Å; Y38-G40 PolarHBondContact O-N 3.15Å; G40-S43 PolarHBondContact O-N 3.16Å; G40-N44 WeakPolarHBondContact O-CB 3.02Å; G40-N44 PolarHBondContact O-N 2.94Å; G40-N44 PolarHBondContact O-ND2 3.39Å; G40-N44 PolarHBondContact O-OD1 3.05Å |
| 41 | Y | 92.6 | Very high | 88.4 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 174.1 | -176.5 | -92.7 | 0 | 0 | 0 | 111.9 | L19 L26 L28 V29 S39 N44 L45 | L19-Y41 HydrophobicContact CD1-CD1 3.93Å; L19-Y41 HydrophobicContact CD1-CE1 4.32Å; L19-Y41 HydrophobicContact CD2-CD1 3.86Å; L19-Y41 HydrophobicContact CD2-CE1 3.72Å; L26-Y41 HydrophobicContact CD1-CE2 4.3Å; L28-Y41 HydrophobicContact CD2-CD2 4.02Å; L28-Y41 HydrophobicContact CD2-CE2 4.22Å; L28-Y41 HydrophobicContact CG-CD2 4.25Å; V29-Y41 HydrophobicContact CG2-CD1 3.9Å; V29-Y41 HydrophobicContact CG2-CD2 4.1Å; V29-Y41 HydrophobicContact CG2-CE1 4.39Å; V29-Y41 HydrophobicContact CG2-CG 3.74Å; S39-Y41 PolarHBondContact O-N 3.43Å; Y41-N44 PolarHBondContact O-N 2.8Å; Y41-L45 HydrophobicContact CD1-CD1 4.04Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å; Y41-L45 HydrophobicContact CE1-CG 4.38Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.79Å |
| 42 | V | 91.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | H17 L19 S39 N44 L45 L46 | H17-V42 HydrophobicContact CB-CG1 3.96Å; L19-V42 HydrophobicContact CD1-CG2 3.99Å; L19-V42 HydrophobicContact CD2-CG2 3.72Å; L19-V42 HydrophobicContact CG-CG2 3.8Å; S39-V42 PolarHBondContact O-N 2.9Å; S39-V42 WeakPolarHBondContact OG-CB 3.43Å; S39-V42 WeakPolarHBondContact OG-CG2 3.07Å; S39-V42 PolarHBondContact OG-N 2.89Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.15Å; V42-L45 WeakPolarHBondContact O-CB 3.39Å; V42-L45 PolarHBondContact O-N 3.11Å; V42-L46 PolarHBondContact O-N 3.2Å |
| 43 | S | 88.9 | Confident | 87.5 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.1 | -44.2 | 177.9 | -166.4 | 0 | 0 | 0 | 0 | 112 | S39 G40 L45 L46 | S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.48Å; G40-S43 PolarHBondContact O-N 3.16Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.48Å; S43-L46 WeakPolarHBondContact O-CB 3.23Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 88 | Confident | 87.3 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.8 | -22.4 | 179.1 | -68.5 | -13.2 | 0 | 0 | 0 | 114 | G40 Y41 V42 | G40-N44 WeakPolarHBondContact O-CB 3.02Å; G40-N44 PolarHBondContact O-N 2.94Å; G40-N44 PolarHBondContact O-ND2 3.39Å; G40-N44 PolarHBondContact O-OD1 3.05Å; Y41-N44 PolarHBondContact O-N 2.8Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.15Å |
| 45 | L | 89.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -79 | -23.4 | 174 | -64.5 | 175.8 | 0 | 0 | 0 | 111.8 | I10 L19 Y41 V42 S43 | I10-L45 HydrophobicContact CD1-CB 3.37Å; I10-L45 WeakPolarHBondContact CD1-O 3.37Å; L19-L45 HydrophobicContact CD2-CD1 4.39Å; Y41-L45 HydrophobicContact CD1-CD1 4.04Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å; Y41-L45 HydrophobicContact CE1-CG 4.38Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.79Å; V42-L45 WeakPolarHBondContact O-CB 3.39Å; V42-L45 PolarHBondContact O-N 3.11Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.48Å |
| 46 | L | 86.5 | Confident | 87.4 | Confident | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -66.4 | 139.3 | -176.4 | -66.7 | 177.6 | 0 | 0 | 0 | 110.9 | I10 V42 S43 | I10-L46 HydrophobicContact CB-CD2 4.43Å; I10-L46 HydrophobicContact CD1-CD2 4.15Å; I10-L46 HydrophobicContact CG1-CD2 3.98Å; V42-L46 PolarHBondContact O-N 3.2Å; S43-L46 WeakPolarHBondContact O-CB 3.23Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 VanDerWaalsContact O-N 3.15Å |
| 47 | P | 83.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | trans | -67.6 | 151.6 | 175.6 | 29.5 | -35.4 | 0 | 0 | 0 | 111.4 | I10 Y49 C50 R85 | I10-P47 WeakPolarHBondContact O-CD 3.21Å; P47-Y49 WeakPolarHBondContact CB-O 3.32Å; P47-Y49 VanDerWaalsContact CG-O 3.3Å; P47-Y49 WeakPolarHBondContact CG-O 3.39Å; P47-Y49 PolarHBondContact O-N 3.13Å; P47-C50 HydrophobicContact CG-CB 4.16Å; P47-R85 PolarHBondContact O-NE 3.21Å; P47-R85 PolarHBondContact O-NH1 3.43Å; P47-R85 PolarHBondContact O-NH2 2.82Å | ||
| 48 | L | 80.7 | Confident | 88 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.6 | -22.9 | 174.9 | -64.6 | 172.2 | 0 | 0 | 0 | 112.8 | F84 R85 Y88 | L48-F84 HydrophobicContact CD2-CB 3.61Å; L48-R85 VanDerWaalsContact C-NE 3.25Å; L48-R85 WeakPolarHBondContact O-CD 3.19Å; L48-R85 PolarHBondContact O-NE 2.79Å; L48-R85 PolarHBondContact O-NH2 2.57Å; L48-Y88 HydrophobicContact CB-CD2 4.04Å; L48-Y88 HydrophobicContact CB-CE2 4.34Å; L48-Y88 HydrophobicContact CB-CG 4.38Å; L48-Y88 HydrophobicContact CD1-CD2 4.2Å; L48-Y88 HydrophobicContact CD1-CE2 3.64Å; L48-Y88 HydrophobicContact CD2-CD2 4.06Å; L48-Y88 HydrophobicContact CD2-CE2 4.09Å; L48-Y88 HydrophobicContact CG-CD2 4.32Å; L48-Y88 HydrophobicContact CG-CE2 4.24Å |
| 49 | Y | 80.8 | Confident | 88.2 | Confident | 139 Ų | 139 | 76 Ų | 76 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | trans | -118.9 | 126.8 | 172.1 | -62.5 | -80.6 | 0 | 0 | 0 | 109.6 | P47 Y88 | P47-Y49 WeakPolarHBondContact CB-O 3.32Å; P47-Y49 VanDerWaalsContact CG-O 3.3Å; P47-Y49 WeakPolarHBondContact CG-O 3.39Å; P47-Y49 PolarHBondContact O-N 3.13Å; Y49-Y88 HydrophobicContact CE1-CD1 4.05Å; Y49-Y88 AromaticContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CE1 4.26Å; Y49-Y88 AromaticContact CZ-CD1 3.46Å; Y49-Y88 VanDerWaalsContact CZ-CD1 3.46Å; Y49-Y88 WeakPolarHBondContact OH-CD1 3.07Å | ||
| 50 | C | 79.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | trans | -157.1 | 140 | 175.9 | 85 | 0 | 0 | 0 | 0 | 106.9 | E12 P47 R85 | E12-C50 WeakPolarHBondContact OE1-CA 3.17Å; E12-C50 WeakPolarHBondContact OE1-CB 3.31Å; P47-C50 HydrophobicContact CG-CB 4.16Å; C50-R85 PolarHBondContact SG-NH1 3.13Å; C50-R85 VanDerWaalsContact SG-NH1 3.44Å; C50-R85 PolarHBondContact SG-NH2 3.45Å | ||
| 51 | S | 82.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | trans | -72.2 | 142.5 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | E12 H13 | E12-S51 WeakPolarHBondContact OE2-CB 3.48Å; E12-S51 PolarHBondContact OE2-N 3.15Å; H13-S51 VanDerWaalsContact CA-O 3.28Å; H13-S51 WeakPolarHBondContact CA-O 3.13Å; H13-S51 PolarHBondContact N-O 3.35Å | ||
| 52 | T | 81.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 86.6 Ų | 86.6 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | trans | -118.4 | 142.8 | 166.9 | 57 | 0 | 0 | 0 | 0 | 108.5 | D54 R89 | T52-D54 PolarHBondContact O-N 3.36Å; T52-R89 PolarHBondContact OG1-NH2 3.34Å | ||
| 53 | N | 86.3 | Confident | 88.8 | Confident | 91 Ų | 91 | 92 Ų | 92 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | trans | -61.3 | 137.3 | 171.6 | -69.1 | -33.7 | 0 | 0 | 0 | 109.8 | H13 V55 | H13-N53 PolarHBondContact O-ND2 2.8Å; N53-V55 PolarHBondContact O-N 3.09Å | ||
| 54 | D | 89.1 | Confident | 89 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | trans | -75 | 104.8 | 172.3 | -171.7 | -11.5 | 0 | 0 | 0 | 109.3 | T52 R56 L61 | T52-D54 PolarHBondContact O-N 3.36Å; D54-R56 VanDerWaalsContact CG-NE 3.26Å; D54-R56 PolarHBondContact O-N 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.5Å; D54-R56 IonicContact OD1-CZ 3.13Å; D54-R56 PolarHBondContact OD1-N 3.24Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD2-CZ 3.65Å; D54-R56 IonicContact OD2-NE 3.45Å; D54-R56 PolarHBondContact OD2-NE 3.18Å; D54-R56 IonicContact OD2-NH2 3.41Å; D54-R56 PolarHBondContact OD2-NH2 3Å; D54-L61 VanDerWaalsContact OD2-CD2 3.22Å; D54-L61 WeakPolarHBondContact OD2-CD2 3.21Å | ||
| 55 | V | 90.9 | Very high | 89.1 | Confident | 139 Ų | 139 | 103.5 Ų | 103.5 | 84% | 0.842 | 50% | 0.504 | S | S | * | . | trans | -85.6 | 6.9 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 113 | N53 F57 | N53-V55 PolarHBondContact O-N 3.09Å; V55-F57 PolarHBondContact O-N 2.9Å | ||
| 56 | R | 94 | Very high | 89.2 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | trans | -59.6 | 137 | 177.8 | -71.1 | 179.3 | -64.5 | 173.2 | -1 | 110.3 | D54 C60 L61 | D54-R56 VanDerWaalsContact CG-NE 3.26Å; D54-R56 PolarHBondContact O-N 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.5Å; D54-R56 IonicContact OD1-CZ 3.13Å; D54-R56 PolarHBondContact OD1-N 3.24Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD2-CZ 3.65Å; D54-R56 IonicContact OD2-NE 3.45Å; D54-R56 PolarHBondContact OD2-NE 3.18Å; D54-R56 IonicContact OD2-NH2 3.41Å; D54-R56 PolarHBondContact OD2-NH2 3Å; R56-C60 HydrophobicContact CB-CB 4.18Å; R56-L61 HydrophobicContact CB-CD2 4.02Å; R56-L61 HydrophobicContact CB-CG 4.31Å | ||
| 57 | F | 95.7 | Very high | 89.3 | Confident | 153 Ų | 153 | 107.3 Ų | 107.3 | 67% | 0.671 | 54% | 0.54 | S | S | * | . | trans | -58.4 | 149 | 172.3 | -179.4 | -105.9 | 0 | 0 | 0 | 111.1 | V55 A59 C60 L61 | V55-F57 PolarHBondContact O-N 2.9Å; F57-A59 HydrophobicContact CD1-CB 3.67Å; F57-A59 HydrophobicContact CE1-CB 3.63Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact O-N 3.07Å; F57-C60 WeakPolarHBondContact O-CA 3.31Å; F57-C60 WeakPolarHBondContact O-CB 2.96Å; F57-C60 PolarHBondContact O-N 3.12Å; F57-L61 PolarHBondContact O-N 3.33Å | ||
| 58 | R | 94.3 | Very high | 89.6 | Confident | 202 Ų | 202 | 112.1 Ų | 112.1 | 76% | 0.762 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -35.8 | -173.1 | -169.9 | 167.6 | 70.9 | 168.6 | 1.3 | 114 | ||
| 59 | A | 93.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 112.9 Ų | 112.9 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -29 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F57 Q62 | F57-A59 HydrophobicContact CD1-CB 3.67Å; F57-A59 HydrophobicContact CE1-CB 3.63Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact O-N 3.07Å; A59-Q62 PolarHBondContact O-N 3.09Å |
| 60 | C | 95.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 110.7 Ų | 110.7 | 37% | 0.365 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -74.1 | -28 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | R56 F57 Q62 K63 | R56-C60 HydrophobicContact CB-CB 4.18Å; F57-C60 WeakPolarHBondContact O-CA 3.31Å; F57-C60 WeakPolarHBondContact O-CB 2.96Å; F57-C60 PolarHBondContact O-N 3.12Å; C60-Q62 PolarHBondContact O-N 3.17Å; C60-K63 WeakPolarHBondContact O-CB 3.22Å; C60-K63 PolarHBondContact O-N 3.35Å; C60-K63 VanDerWaalsContact O-N 3.14Å |
| 61 | L | 93.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 113.3 Ų | 113.3 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -61.9 | -25.2 | 174.9 | -70.3 | 174.7 | 0 | 0 | 0 | 113.2 | D54 R56 F57 | D54-L61 VanDerWaalsContact OD2-CD2 3.22Å; D54-L61 WeakPolarHBondContact OD2-CD2 3.21Å; R56-L61 HydrophobicContact CB-CD2 4.02Å; R56-L61 HydrophobicContact CB-CG 4.31Å; F57-L61 PolarHBondContact O-N 3.33Å |
| 62 | Q | 94.5 | Very high | 91.4 | Very high | 159 Ų | 159 | 114.1 Ų | 114.1 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -90 | -6.7 | 179.1 | -61.7 | -177.7 | -1.2 | 0 | 0 | 113.4 | A59 C60 K64 | A59-Q62 PolarHBondContact O-N 3.09Å; C60-Q62 PolarHBondContact O-N 3.17Å; Q62-K64 PolarHBondContact O-N 3.17Å |
| 63 | K | 94.1 | Very high | 91.6 | Very high | 138 Ų | 138 | 114.3 Ų | 114.3 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | trans | -70.6 | 127.2 | 178.7 | -66.5 | -69.5 | -176.1 | 177.6 | 0 | 109.5 | C60 Y65 | C60-K63 WeakPolarHBondContact O-CB 3.22Å; C60-K63 PolarHBondContact O-N 3.35Å; C60-K63 VanDerWaalsContact O-N 3.14Å; K63-Y65 HydrophobicContact CB-CE2 4.17Å | ||
| 64 | K | 93.2 | Very high | 91.6 | Very high | 207 Ų | 207 | 111.3 Ų | 111.3 | 90% | 0.9 | 58% | 0.576 | S | S | * | * | trans | -94.9 | 135 | 173.7 | -62.7 | -175.1 | -179.1 | -178.7 | 0 | 109.1 | Q62 | Q62-K64 PolarHBondContact O-N 3.17Š| ||
| 65 | Y | 89.8 | Confident | 91.3 | Very high | 170 Ų | 170 | 109.3 Ų | 109.3 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | trans | -108.5 | 155.2 | 174.2 | -61.9 | -89.1 | 0 | 0 | 0 | 109.1 | K63 | K63-Y65 HydrophobicContact CB-CE2 4.17Š| ||
| 66 | C | 92.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 103 Ų | 103 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | trans | -60.4 | 140.7 | 173.1 | -63 | 0 | 0 | 0 | 0 | 110 | L69 | C66-L69 HydrophobicContact CB-CD2 4.42Å; C66-L69 WeakPolarHBondContact O-CG 3.46Å | ||
| 67 | S | 89 | Confident | 89.9 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 77% | 0.769 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -71 | -33.7 | 175.5 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | L69 | S67-L69 PolarHBondContact O-N 3.25Š|
| 68 | N | 90.3 | Very high | 88.9 | Confident | 146 Ų | 146 | 99.8 Ų | 99.8 | 78% | 0.781 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -96.9 | 78.9 | -177.8 | -60.8 | -0.9 | 0 | 0 | 0 | 108.6 | ||
| 69 | L | 91.7 | Very high | 87.8 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 146.5 | 173.3 | -62.1 | 171 | 0 | 0 | 0 | 109.4 | C66 S67 L94 | C66-L69 HydrophobicContact CB-CD2 4.42Å; C66-L69 WeakPolarHBondContact O-CG 3.46Å; S67-L69 PolarHBondContact O-N 3.25Å; L69-L94 HydrophobicContact CB-CD1 4.25Å; L69-L94 HydrophobicContact CB-CD2 3.67Å; L69-L94 HydrophobicContact CD1-CD1 3.89Å; L69-L94 WeakPolarHBondContact O-CD2 3.36Å |
| 70 | P | 90.9 | Very high | 86.8 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 150.4 | 172.3 | 29.2 | -34.4 | 0 | 0 | 0 | 110.1 | ||
| 71 | P | 89.7 | Confident | 85.7 | Confident | 71 Ų | 71 | 96 Ų | 96 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 153.1 | 170.8 | 31.8 | -36.4 | 0 | 0 | 0 | 110.2 | L94 E96 | P71-L94 CarbonylContact C-O 3.53Å; P71-L94 WeakPolarHBondContact CA-O 3.3Å; P71-E96 HydrophobicContact CB-CB 4.2Å |
| 72 | V | 89.1 | Confident | 84.5 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148 | -174.9 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | L94 E96 | V72-L94 VanDerWaalsContact CG2-O 3.29Å; V72-L94 WeakPolarHBondContact CG2-O 3.36Å; V72-L94 PolarHBondContact N-O 3.28Å; V72-E96 PolarHBondContact O-N 2.99Å |
| 73 | T | 87.1 | Confident | 83 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.5 | 168.5 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | V75 E97 | T73-V75 HydrophobicContact CG2-CG2 3.95Å; T73-E97 CarbonylContact C-O 3.57Å; T73-E97 WeakPolarHBondContact CA-O 3.36Å; T73-E97 HydrophobicContact CG2-CB 3.92Å |
| 74 | V | 84.7 | Confident | 81.7 | Confident | 28 Ų | 28 | 83.1 Ų | 83.1 | 17% | 0.17 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.7 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | V76 I86 L95 E97 V98 L99 | V74-V76 HydrophobicContact CG1-CG2 4.15Å; V74-I86 HydrophobicContact CG1-CG2 4.24Å; V74-L95 HydrophobicContact CG2-CD2 3.56Å; V74-E97 PolarHBondContact N-O 3.46Å; V74-V98 HydrophobicContact CB-CG2 4.28Å; V74-V98 CarbonylContact O-C 3.54Å; V74-V98 VanDerWaalsContact O-CA 3.31Å; V74-V98 WeakPolarHBondContact O-CA 3.39Å; V74-L99 PolarHBondContact O-N 3.07Å |
| 75 | V | 82.7 | Confident | 80.8 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 174.7 | -178 | 0 | 0 | 0 | 0 | 110.2 | T73 P77 L99 F135 | T73-V75 HydrophobicContact CG2-CG2 3.95Å; V75-P77 WeakPolarHBondContact O-CD 3.06Å; V75-L99 HydrophobicContact CB-CB 4.41Å; V75-L99 HydrophobicContact CG1-CB 4.25Å; V75-L99 HydrophobicContact CG1-CD2 3.93Å; V75-L99 HydrophobicContact CG1-CG 4.17Å; V75-L99 HydrophobicContact CG2-CB 3.89Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 4.46Å; V75-F135 HydrophobicContact CB-CE2 4.45Å; V75-F135 HydrophobicContact CB-CZ 3.79Å; V75-F135 HydrophobicContact CG1-CE2 4.09Å; V75-F135 HydrophobicContact CG1-CZ 3.75Å; V75-F135 HydrophobicContact CG2-CE1 4.08Å; V75-F135 HydrophobicContact CG2-CZ 3.49Å; V75-F135 VanDerWaalsContact CG2-CZ 3.49Å |
| 76 | V | 79.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.036 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 92.6 | -173.8 | -176.5 | 0 | 0 | 0 | 0 | 107 | V74 F78 L83 V98 L99 D101 | V74-V76 HydrophobicContact CG1-CG2 4.15Å; V76-F78 PolarHBondContact O-N 3.02Å; V76-F78 VanDerWaalsContact O-N 3.16Å; V76-L83 HydrophobicContact CB-CD2 4.13Å; V76-L83 HydrophobicContact CG1-CD1 3.75Å; V76-L83 HydrophobicContact CG1-CD2 3.9Å; V76-L83 HydrophobicContact CG1-CG 4.31Å; V76-L83 HydrophobicContact CG2-CD1 4.31Å; V76-L83 HydrophobicContact CG2-CD2 3.22Å; V76-L83 HydrophobicContact CG2-CG 4.36Å; V76-V98 HydrophobicContact CG2-CG1 4.45Å; V76-L99 PolarHBondContact N-O 3.44Å; V76-D101 PolarHBondContact O-N 3.39Å; V76-D101 VanDerWaalsContact O-N 3.15Å |
| 77 | P | 76.7 | Confident | 79.5 | Confident | 84 Ų | 84 | 66.9 Ų | 66.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | trans | -82.9 | 17.3 | -173.9 | 36.1 | -38.2 | 0 | 0 | 0 | 112.8 | V75 | V75-P77 WeakPolarHBondContact O-CD 3.06Š| ||
| 78 | F | 74.6 | Confident | 78.9 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 55% | 0.548 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -104.8 | 123.8 | -174.1 | -64.9 | -76.3 | 0 | 0 | 0 | 110.9 | V76 N80 E81 | V76-F78 PolarHBondContact O-N 3.02Å; V76-F78 VanDerWaalsContact O-N 3.16Å; F78-N80 PolarHBondContact O-N 2.8Å; F78-E81 HydrophobicContact CB-CB 3.68Å; F78-E81 HydrophobicContact CB-CG 4.25Å |
| 79 | Y | 71.2 | Confident | 78.5 | Confident | 150 Ų | 150 | 61.9 Ų | 61.9 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 120.2 | 175.9 | -179.9 | -105.6 | 0 | 0 | 0 | 110.6 | E81 A102 T104 | Y79-E81 VanDerWaalsContact C-N 3.3Å; Y79-E81 PolarHBondContact O-N 3.48Å; Y79-A102 WeakPolarHBondContact CD2-O 3.42Å; Y79-A102 VanDerWaalsContact CE2-O 3.23Å; Y79-A102 WeakPolarHBondContact CE2-O 3.13Å; Y79-T104 HydrophobicContact CE2-CG2 3.9Å; Y79-T104 WeakPolarHBondContact OH-CG2 3.46Å; Y79-T104 PolarHBondContact OH-OG1 2.68Å; Y79-T104 VanDerWaalsContact OH-OG1 3.1Å |
| 80 | N | 72.6 | Confident | 78.2 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 31.9 | 174.4 | -72.1 | -16.9 | 0 | 0 | 0 | 115.2 | F78 S103 T104 K105 | F78-N80 PolarHBondContact O-N 2.8Å; N80-S103 WeakPolarHBondContact OD1-CA 3.39Å; N80-S103 PolarHBondContact OD1-OG 3.33Å; N80-T104 PolarHBondContact ND2-OG1 3.36Å; N80-T104 PolarHBondContact OD1-N 3.19Å; N80-T104 PolarHBondContact OD1-OG1 3.31Å; N80-K105 HydrophobicContact CB-CD 3.8Å; N80-K105 HydrophobicContact CB-CG 3.98Å; N80-K105 VanDerWaalsContact O-CE 3.31Å; N80-K105 WeakPolarHBondContact O-CE 3.47Å; N80-K105 PolarHBondContact O-NZ 2.73Å; N80-K105 PolarHBondContact OD1-N 3.01Å; N80-K105 VanDerWaalsContact OD1-N 3.1Å |
| 81 | E | 73.1 | Confident | 78 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | trans | -74.4 | 138.2 | 177.9 | -172.3 | 56.3 | -102.4 | 0 | 0 | 112.6 | Y38 F78 Y79 L83 F108 | Y38-E81 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E81 PolarHBondContact OH-OE1 3.38Å; F78-E81 HydrophobicContact CB-CB 3.68Å; F78-E81 HydrophobicContact CB-CG 4.25Å; Y79-E81 VanDerWaalsContact C-N 3.3Å; Y79-E81 PolarHBondContact O-N 3.48Å; E81-L83 HydrophobicContact CG-CD1 4.04Å; E81-L83 PolarHBondContact O-N 3.27Å; E81-L83 VanDerWaalsContact O-N 3.09Å; E81-F108 WeakPolarHBondContact O-CZ 3.28Å | ||
| 82 | H | 67.8 | Low | 77.8 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | trans | -76.8 | 95.6 | 179.6 | -73.3 | -71.9 | 0 | 0 | 0 | 110.9 | Y38 K105 E107 | Y38-H82 PolarHBondContact OH-CD2 3.14Å; H82-K105 PolarHBondContact CD2-NZ 3.1Å; H82-K105 PolarHBondContact CE1-NZ 2.99Å; H82-K105 PolarHBondContact NE2-NZ 3.48Å; H82-E107 IonicContact CE1-OE1 2.83Å; H82-E107 IonicContact ND1-OE1 2.92Å; H82-E107 PolarHBondContact ND1-OE1 3.37Å | ||
| 83 | L | 63 | Low | 77.6 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | trans | -122.2 | 42.8 | -160.8 | -154.2 | 105.4 | 0 | 0 | 0 | 116.8 | V76 E81 I86 | V76-L83 HydrophobicContact CB-CD2 4.13Å; V76-L83 HydrophobicContact CG1-CD1 3.75Å; V76-L83 HydrophobicContact CG1-CD2 3.9Å; V76-L83 HydrophobicContact CG1-CG 4.31Å; V76-L83 HydrophobicContact CG2-CD1 4.31Å; V76-L83 HydrophobicContact CG2-CD2 3.22Å; V76-L83 HydrophobicContact CG2-CG 4.36Å; E81-L83 HydrophobicContact CG-CD1 4.04Å; E81-L83 PolarHBondContact O-N 3.27Å; E81-L83 VanDerWaalsContact O-N 3.09Å; L83-I86 HydrophobicContact CD1-CD1 3.79Å; L83-I86 HydrophobicContact CD1-CG1 4.46Å; L83-I86 HydrophobicContact CD2-CD1 4.02Å; L83-I86 HydrophobicContact CD2-CG1 4.49Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.29Å | ||
| 84 | F | 67.2 | Low | 77.7 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.8 | -28.1 | 174 | -65 | -77.2 | 0 | 0 | 0 | 112.4 | L48 I86 L87 Y88 E107 L112 H115 | L48-F84 HydrophobicContact CD2-CB 3.61Å; F84-I86 PolarHBondContact O-N 3.25Å; F84-L87 PolarHBondContact O-N 3.12Å; F84-Y88 HydrophobicContact CB-CD2 4.37Å; F84-Y88 HydrophobicContact CB-CE2 4.3Å; F84-Y88 WeakPolarHBondContact O-CD2 3.06Å; F84-Y88 PolarHBondContact O-N 3.5Å; F84-E107 HydrophobicContact CZ-CB 4.43Å; F84-L112 HydrophobicContact CD1-CD1 4.41Å; F84-L112 HydrophobicContact CE1-CD1 3.94Å; F84-H115 AromaticContact CD1-NE2 3.93Å |
| 85 | R | 74.4 | Confident | 77.7 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | -167 | -148.1 | 79 | -166.2 | -105.6 | -2.8 | 114.9 | P47 L48 C50 Y88 R89 | P47-R85 PolarHBondContact O-NE 3.21Å; P47-R85 PolarHBondContact O-NH1 3.43Å; P47-R85 PolarHBondContact O-NH2 2.82Å; L48-R85 VanDerWaalsContact C-NE 3.25Å; L48-R85 WeakPolarHBondContact O-CD 3.19Å; L48-R85 PolarHBondContact O-NE 2.79Å; L48-R85 PolarHBondContact O-NH2 2.57Å; C50-R85 PolarHBondContact SG-NH1 3.13Å; C50-R85 VanDerWaalsContact SG-NH1 3.44Å; C50-R85 PolarHBondContact SG-NH2 3.45Å; R85-Y88 PolarHBondContact O-N 3.25Å; R85-R89 HydrophobicContact CG-CG 4.34Å; R85-R89 WeakPolarHBondContact O-CB 2.85Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 3.1Å; R85-R89 VanDerWaalsContact O-N 3.12Å |
| 86 | I | 76.5 | Confident | 77.9 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | -176.3 | -60.9 | -176.9 | 0 | 0 | 0 | 109.9 | V74 L83 F84 Y88 R89 S90 | V74-I86 HydrophobicContact CG1-CG2 4.24Å; L83-I86 HydrophobicContact CD1-CD1 3.79Å; L83-I86 HydrophobicContact CD1-CG1 4.46Å; L83-I86 HydrophobicContact CD2-CD1 4.02Å; L83-I86 HydrophobicContact CD2-CG1 4.49Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.29Å; F84-I86 PolarHBondContact O-N 3.25Å; I86-Y88 PolarHBondContact O-N 3.16Å; I86-R89 PolarHBondContact O-N 3.49Å; I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.28Å; I86-S90 PolarHBondContact O-OG 3.09Å |
| 87 | L | 78.1 | Confident | 78 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.7 | -41.4 | 175.9 | -63.9 | 169.8 | 0 | 0 | 0 | 111.3 | F84 L95 V98 L112 L116 M121 | F84-L87 PolarHBondContact O-N 3.12Å; L87-L95 HydrophobicContact CD2-CD1 4.49Å; L87-V98 HydrophobicContact CD2-CB 4.46Å; L87-V98 HydrophobicContact CD2-CG2 3.67Å; L87-L112 HydrophobicContact CD1-CD1 4.05Å; L87-L116 HydrophobicContact CD1-CD2 3.85Å; L87-L116 HydrophobicContact CD2-CD2 4.16Å; L87-M121 HydrophobicContact CB-CE 4.03Å; L87-M121 HydrophobicContact CB-SD 4.29Å; L87-M121 WeakPolarHBondContact O-CE 3.38Å |
| 88 | Y | 77.4 | Confident | 78.2 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.9 | -16.9 | -177.6 | -75.3 | -66.3 | 0 | 0 | 0 | 116 | L48 Y49 F84 R85 I86 H115 N119 | L48-Y88 HydrophobicContact CB-CD2 4.04Å; L48-Y88 HydrophobicContact CB-CE2 4.34Å; L48-Y88 HydrophobicContact CB-CG 4.38Å; L48-Y88 HydrophobicContact CD1-CD2 4.2Å; L48-Y88 HydrophobicContact CD1-CE2 3.64Å; L48-Y88 HydrophobicContact CD2-CD2 4.06Å; L48-Y88 HydrophobicContact CD2-CE2 4.09Å; L48-Y88 HydrophobicContact CG-CD2 4.32Å; L48-Y88 HydrophobicContact CG-CE2 4.24Å; Y49-Y88 HydrophobicContact CE1-CD1 4.05Å; Y49-Y88 AromaticContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CE1 4.26Å; Y49-Y88 AromaticContact CZ-CD1 3.46Å; Y49-Y88 VanDerWaalsContact CZ-CD1 3.46Å; Y49-Y88 WeakPolarHBondContact OH-CD1 3.07Å; F84-Y88 HydrophobicContact CB-CD2 4.37Å; F84-Y88 HydrophobicContact CB-CE2 4.3Å; F84-Y88 WeakPolarHBondContact O-CD2 3.06Å; F84-Y88 PolarHBondContact O-N 3.5Å; R85-Y88 PolarHBondContact O-N 3.25Å; I86-Y88 PolarHBondContact O-N 3.16Å; Y88-H115 AromaticContact CE2-NE2 3.31Å; Y88-H115 VanDerWaalsContact CE2-NE2 3.31Å; Y88-H115 WeakPolarHBondContact CE2-NE2 3.46Å; Y88-H115 AromaticContact CZ-CE1 3.88Å; Y88-H115 AromaticContact CZ-NE2 3.29Å; Y88-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y88-H115 PolarHBondContact OH-CE1 3.03Å; Y88-H115 PolarHBondContact OH-NE2 3.35Å; Y88-N119 PolarHBondContact OH-ND2 2.78Å; Y88-N119 VanDerWaalsContact OH-ND2 3.13Å |
| 89 | R | 81.6 | Confident | 78.3 | Confident | 125 Ų | 125 | 54.7 Ų | 54.7 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -111.6 | -16.6 | -174.1 | -65.9 | -167.7 | 75.5 | -177.1 | 4.6 | 113.9 | T52 R85 I86 | T52-R89 PolarHBondContact OG1-NH2 3.34Å; R85-R89 HydrophobicContact CG-CG 4.34Å; R85-R89 WeakPolarHBondContact O-CB 2.85Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 3.1Å; R85-R89 VanDerWaalsContact O-N 3.12Å; I86-R89 PolarHBondContact O-N 3.49Å |
| 90 | S | 85.1 | Confident | 78.4 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -82.2 | 138.6 | 173.8 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | I86 I92 | I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.28Å; I86-S90 PolarHBondContact O-OG 3.09Å; S90-I92 PolarHBondContact O-N 2.81Å |
| 91 | P | 87.2 | Confident | 78.4 | Confident | 64 Ų | 64 | 48 Ų | 48 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | trans | -56.5 | 126.1 | 168.7 | -21 | 32.3 | 0 | 0 | 0 | 109.5 | E93 L94 | P91-E93 VanDerWaalsContact C-N 3.25Å; P91-E93 HydrophobicContact CB-CG 4.28Å; P91-E93 PolarHBondContact O-N 2.92Å; P91-L94 HydrophobicContact CB-CD1 4.23Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.12Å; P91-L94 PolarHBondContact O-N 2.69Å | ||
| 92 | I | 83.5 | Confident | 78.3 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.7 | -38.7 | -172.2 | -167.9 | 119.8 | 0 | 0 | 0 | 110.7 | S90 L94 L95 M121 N123 | S90-I92 PolarHBondContact O-N 2.81Å; I92-L94 PolarHBondContact O-N 2.6Å; I92-L95 PolarHBondContact O-N 2.83Å; I92-M121 HydrophobicContact CD1-CB 3.64Å; I92-M121 HydrophobicContact CD1-CE 3.72Å; I92-M121 HydrophobicContact CD1-CG 3.46Å; I92-M121 VanDerWaalsContact CD1-CG 3.46Å; I92-M121 HydrophobicContact CD1-SD 4.37Å; I92-N123 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N123 PolarHBondContact O-ND2 3.39Å |
| 93 | E | 85.4 | Confident | 78.6 | Confident | 139 Ų | 139 | 46.6 Ų | 46.6 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -58.6 | -18.2 | 177.6 | 62.2 | -89.7 | -151.6 | 0 | 0 | 114.4 | P91 | P91-E93 VanDerWaalsContact C-N 3.25Å; P91-E93 HydrophobicContact CB-CG 4.28Å; P91-E93 PolarHBondContact O-N 2.92Å |
| 94 | L | 89.1 | Confident | 79.2 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -98.2 | -11 | 176.5 | -59.9 | -177.1 | 0 | 0 | 0 | 113.3 | L69 P71 V72 P91 I92 | L69-L94 HydrophobicContact CB-CD1 4.25Å; L69-L94 HydrophobicContact CB-CD2 3.67Å; L69-L94 HydrophobicContact CD1-CD1 3.89Å; L69-L94 WeakPolarHBondContact O-CD2 3.36Å; P71-L94 CarbonylContact C-O 3.53Å; P71-L94 WeakPolarHBondContact CA-O 3.3Å; V72-L94 VanDerWaalsContact CG2-O 3.29Å; V72-L94 WeakPolarHBondContact CG2-O 3.36Å; V72-L94 PolarHBondContact N-O 3.28Å; P91-L94 HydrophobicContact CB-CD1 4.23Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.12Å; P91-L94 PolarHBondContact O-N 2.69Å; I92-L94 PolarHBondContact O-N 2.6Å |
| 95 | L | 86.1 | Confident | 79.7 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.2 | 177.5 | -67.4 | 179.7 | 0 | 0 | 0 | 110 | V74 L87 I92 N123 | V74-L95 HydrophobicContact CG2-CD2 3.56Å; L87-L95 HydrophobicContact CD2-CD1 4.49Å; I92-L95 PolarHBondContact O-N 2.83Å; L95-N123 PolarHBondContact O-ND2 2.54Å |
| 96 | E | 85.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -48.4 | 171.5 | -160.8 | 174.8 | 174.5 | 0 | 0 | 111.2 | P71 V72 | P71-E96 HydrophobicContact CB-CB 4.2Å; V72-E96 PolarHBondContact O-N 2.99Å |
| 97 | E | 82.2 | Confident | 79.8 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150 | -177.4 | -58.9 | -171.6 | 151.5 | 0 | 0 | 109.2 | T73 V74 K125 L127 | T73-E97 CarbonylContact C-O 3.57Å; T73-E97 WeakPolarHBondContact CA-O 3.36Å; T73-E97 HydrophobicContact CG2-CB 3.92Å; V74-E97 PolarHBondContact N-O 3.46Å; E97-K125 HydrophobicContact CG-CB 4.3Å; E97-L127 WeakPolarHBondContact OE2-CD1 3.21Å |
| 98 | V | 80 | Confident | 79.8 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 106.7 | 169.8 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | V74 V76 L87 V100 K125 V126 L127 | V74-V98 HydrophobicContact CB-CG2 4.28Å; V74-V98 CarbonylContact O-C 3.54Å; V74-V98 VanDerWaalsContact O-CA 3.31Å; V74-V98 WeakPolarHBondContact O-CA 3.39Å; V76-V98 HydrophobicContact CG2-CG1 4.45Å; L87-V98 HydrophobicContact CD2-CB 4.46Å; L87-V98 HydrophobicContact CD2-CG2 3.67Å; V98-V100 HydrophobicContact CG1-CG2 4.42Å; V98-K125 PolarHBondContact N-O 3.47Å; V98-V126 VanDerWaalsContact O-CA 3.28Å; V98-V126 WeakPolarHBondContact O-CA 3.35Å; V98-L127 PolarHBondContact O-N 3.5Å; V98-L127 VanDerWaalsContact O-N 3.17Å |
| 99 | L | 76.8 | Confident | 79.9 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 177.2 | 177.1 | 63.9 | 0 | 0 | 0 | 109.2 | V74 V75 V76 L127 T129 V133 | V74-L99 PolarHBondContact O-N 3.07Å; V75-L99 HydrophobicContact CB-CB 4.41Å; V75-L99 HydrophobicContact CG1-CB 4.25Å; V75-L99 HydrophobicContact CG1-CD2 3.93Å; V75-L99 HydrophobicContact CG1-CG 4.17Å; V75-L99 HydrophobicContact CG2-CB 3.89Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 4.46Å; V76-L99 PolarHBondContact N-O 3.44Å; L99-L127 HydrophobicContact CB-CB 4.35Å; L99-L127 HydrophobicContact CD1-CB 3.35Å; L99-L127 HydrophobicContact CD1-CD1 4.48Å; L99-L127 WeakPolarHBondContact CD1-O 3.21Å; L99-L127 HydrophobicContact CG-CB 4.41Å; L99-T129 HydrophobicContact CD1-CG2 4.49Å; L99-V133 HydrophobicContact CD1-CG2 4.29Å; L99-V133 HydrophobicContact CD2-CB 4.09Å; L99-V133 HydrophobicContact CD2-CG1 3.52Å; L99-V133 HydrophobicContact CD2-CG2 3.43Å; L99-V133 VanDerWaalsContact CD2-CG2 3.43Å; L99-V133 HydrophobicContact CG-CG2 3.89Å |
| 100 | V | 75 | Confident | 79.9 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.1 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V98 F108 V126 L127 | V98-V100 HydrophobicContact CG1-CG2 4.42Å; V100-F108 HydrophobicContact CG1-CD1 4.33Å; V100-V126 HydrophobicContact CG2-CG1 4.29Å; V100-L127 PolarHBondContact N-O 2.98Å |
| 101 | D | 71.6 | Confident | 79.9 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122 | -178.7 | -162.3 | -11.5 | 0 | 0 | 0 | 111.5 | V76 S103 T129 G131 A132 V133 | V76-D101 PolarHBondContact O-N 3.39Å; V76-D101 VanDerWaalsContact O-N 3.15Å; D101-S103 PolarHBondContact O-N 2.71Å; D101-T129 HydrophobicContact CB-CG2 4.44Å; D101-T129 WeakPolarHBondContact OD1-CG2 3.28Å; D101-G131 VanDerWaalsContact OD1-O 3.08Å; D101-A132 WeakPolarHBondContact OD2-CA 3.02Å; D101-V133 HydrophobicContact CB-CG2 4.29Å; D101-V133 PolarHBondContact OD2-N 3.05Å |
| 102 | A | 71.1 | Confident | 79.6 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 48.2 | 27.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y79 T104 T129 | Y79-A102 WeakPolarHBondContact CD2-O 3.42Å; Y79-A102 VanDerWaalsContact CE2-O 3.23Å; Y79-A102 WeakPolarHBondContact CE2-O 3.13Å; A102-T104 PolarHBondContact O-N 2.96Å; A102-T129 WeakPolarHBondContact CA-O 3.36Å; A102-T129 PolarHBondContact N-O 3.39Å |
| 103 | S | 73.6 | Confident | 79.6 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -71.8 | 131.7 | 178.4 | -175 | 0 | 0 | 0 | 0 | 112.2 | N80 D101 K105 F108 | N80-S103 WeakPolarHBondContact OD1-CA 3.39Å; N80-S103 PolarHBondContact OD1-OG 3.33Å; D101-S103 PolarHBondContact O-N 2.71Å; S103-K105 PolarHBondContact OG-N 3.4Å; S103-F108 WeakPolarHBondContact OG-CD2 3.26Å | ||
| 104 | T | 76.6 | Confident | 79.7 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 60% | 0.601 | 28% | 0.278 | S | S | * | . | trans | -100.6 | -4.6 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | Y79 N80 A102 S106 | Y79-T104 HydrophobicContact CE2-CG2 3.9Å; Y79-T104 WeakPolarHBondContact OH-CG2 3.46Å; Y79-T104 PolarHBondContact OH-OG1 2.68Å; Y79-T104 VanDerWaalsContact OH-OG1 3.1Å; N80-T104 PolarHBondContact ND2-OG1 3.36Å; N80-T104 PolarHBondContact OD1-N 3.19Å; N80-T104 PolarHBondContact OD1-OG1 3.31Å; A102-T104 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact O-N 3.18Å | ||
| 105 | K | 76.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | trans | -66.8 | 129.5 | 177.6 | -85.4 | 177.5 | 175.7 | 172.7 | 0 | 109.1 | N36 N80 H82 S103 E107 F108 | N36-K105 PolarHBondContact OD1-NZ 2.83Å; N80-K105 HydrophobicContact CB-CD 3.8Å; N80-K105 HydrophobicContact CB-CG 3.98Å; N80-K105 VanDerWaalsContact O-CE 3.31Å; N80-K105 WeakPolarHBondContact O-CE 3.47Å; N80-K105 PolarHBondContact O-NZ 2.73Å; N80-K105 PolarHBondContact OD1-N 3.01Å; N80-K105 VanDerWaalsContact OD1-N 3.1Å; H82-K105 PolarHBondContact CD2-NZ 3.1Å; H82-K105 PolarHBondContact CE1-NZ 2.99Å; H82-K105 PolarHBondContact NE2-NZ 3.48Å; S103-K105 PolarHBondContact OG-N 3.4Å; K105-E107 HydrophobicContact CB-CG 4.02Å; K105-E107 PolarHBondContact O-N 2.91Å; K105-E107 VanDerWaalsContact O-N 3.16Å; K105-F108 HydrophobicContact CB-CD2 3.62Å; K105-F108 HydrophobicContact CB-CE2 3.84Å; K105-F108 HydrophobicContact CD-CE2 3.99Å; K105-F108 PolarHBondContact O-N 3.36Å; K105-F108 VanDerWaalsContact O-N 3.09Å | ||
| 106 | S | 77.6 | Confident | 79.2 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 70% | 0.699 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -60.8 | -27.3 | -175.8 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | T104 F108 G109 P111 | T104-S106 PolarHBondContact O-N 3.18Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.45Å; S106-G109 PolarHBondContact O-N 3.44Å; S106-G109 VanDerWaalsContact O-N 3.12Å; S106-P111 WeakPolarHBondContact O-CD 3.36Å |
| 107 | E | 76.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -62.3 | -26.4 | 176.2 | 63.6 | -128.7 | -125.7 | 0 | 0 | 114 | H82 F84 K105 G109 L112 | H82-E107 IonicContact CE1-OE1 2.83Å; H82-E107 IonicContact ND1-OE1 2.92Å; H82-E107 PolarHBondContact ND1-OE1 3.37Å; F84-E107 HydrophobicContact CZ-CB 4.43Å; K105-E107 HydrophobicContact CB-CG 4.02Å; K105-E107 PolarHBondContact O-N 2.91Å; K105-E107 VanDerWaalsContact O-N 3.16Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.42Å; E107-L112 WeakPolarHBondContact O-CB 3.41Å; E107-L112 PolarHBondContact O-N 2.8Å |
| 108 | F | 76.4 | Confident | 79.3 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -83.4 | -0.8 | 176.3 | -63.9 | -76.6 | 0 | 0 | 0 | 113.5 | E81 V100 S103 K105 S106 L112 R128 | E81-F108 WeakPolarHBondContact O-CZ 3.28Å; V100-F108 HydrophobicContact CG1-CD1 4.33Å; S103-F108 WeakPolarHBondContact OG-CD2 3.26Å; K105-F108 HydrophobicContact CB-CD2 3.62Å; K105-F108 HydrophobicContact CB-CE2 3.84Å; K105-F108 HydrophobicContact CD-CE2 3.99Å; K105-F108 PolarHBondContact O-N 3.36Å; K105-F108 VanDerWaalsContact O-N 3.09Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CD1-CD2 4.03Å; F108-R128 PolarHBondContact O-NE 2.95Å; F108-R128 PolarHBondContact O-NH2 2.98Å |
| 109 | G | 79.8 | Confident | 79.4 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -133.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S106 E107 P111 L112 D113 R128 | S106-G109 PolarHBondContact O-N 3.44Å; S106-G109 VanDerWaalsContact O-N 3.12Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.42Å; G109-P111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 3.17Å; G109-L112 VanDerWaalsContact O-N 3.15Å; G109-D113 PolarHBondContact O-N 3.41Å; G109-R128 PolarHBondContact O-NH2 3.27Å |
| 110 | K | 83.4 | Confident | 79.7 | Confident | 162 Ų | 162 | 63.5 Ų | 63.5 | 70% | 0.704 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -51.8 | -39.7 | 177.7 | -63.8 | -174.1 | 177.2 | -174.1 | 0 | 114.9 | L112 D113 E114 | K110-L112 PolarHBondContact O-N 3.02Å; K110-D113 PolarHBondContact O-N 2.83Å; K110-D113 VanDerWaalsContact O-N 3.09Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 3.4Å |
| 111 | P | 83.9 | Confident | 79.9 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.4 | -35.8 | -179.9 | -26.2 | 36.3 | 0 | 0 | 0 | 113 | S106 G109 H115 | S106-P111 WeakPolarHBondContact O-CD 3.36Å; G109-P111 VanDerWaalsContact C-N 3.33Å; P111-H115 WeakPolarHBondContact O-CB 3.42Å; P111-H115 PolarHBondContact O-N 2.95Å |
| 112 | L | 81.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 175.1 | -179.1 | 62.5 | 0 | 0 | 0 | 111.8 | F84 L87 E107 F108 G109 K110 E114 H115 L116 V126 | F84-L112 HydrophobicContact CD1-CD1 4.41Å; F84-L112 HydrophobicContact CE1-CD1 3.94Å; L87-L112 HydrophobicContact CD1-CD1 4.05Å; E107-L112 WeakPolarHBondContact O-CB 3.41Å; E107-L112 PolarHBondContact O-N 2.8Å; F108-L112 HydrophobicContact CD1-CD2 4.03Å; G109-L112 PolarHBondContact O-N 3.17Å; G109-L112 VanDerWaalsContact O-N 3.15Å; K110-L112 PolarHBondContact O-N 3.02Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.33Å; L112-H115 WeakPolarHBondContact O-CB 3.32Å; L112-H115 PolarHBondContact O-N 3.41Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.34Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 2.92Å; L112-V126 HydrophobicContact CD2-CB 4.4Å; L112-V126 HydrophobicContact CD2-CG1 3.93Å; L112-V126 HydrophobicContact CD2-CG2 3.71Å; L112-V126 HydrophobicContact CG-CG2 4.12Å |
| 113 | D | 83.2 | Confident | 80.4 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.8 | -57.6 | -37.1 | 0 | 0 | 0 | 111.1 | G109 K110 H115 L116 S117 R128 | G109-D113 PolarHBondContact O-N 3.41Å; K110-D113 PolarHBondContact O-N 2.83Å; K110-D113 VanDerWaalsContact O-N 3.09Å; D113-H115 VanDerWaalsContact C-N 3.32Å; D113-H115 PolarHBondContact O-N 3.31Å; D113-L116 PolarHBondContact O-N 2.99Å; D113-S117 PolarHBondContact O-N 2.83Å; D113-S117 PolarHBondContact O-OG 3Å; D113-R128 IonicContact OD1-CZ 3.09Å; D113-R128 IonicContact OD1-NH1 2.6Å; D113-R128 PolarHBondContact OD1-NH1 2.65Å; D113-R128 VanDerWaalsContact OD1-NH1 3.17Å; D113-R128 IonicContact OD1-NH2 3.94Å; D113-R128 PolarHBondContact OD1-NH2 2.76Å; D113-R128 IonicContact OD2-CZ 3.17Å; D113-R128 IonicContact OD2-NH1 3.34Å; D113-R128 PolarHBondContact OD2-NH1 3.15Å; D113-R128 IonicContact OD2-NH2 3.53Å; D113-R128 PolarHBondContact OD2-NH2 3.26Å; D113-R128 VanDerWaalsContact OD2-NH2 3.13Å |
| 114 | E | 86.8 | Confident | 80.7 | Confident | 113 Ų | 113 | 69.2 Ų | 69.2 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.6 | -73.1 | 172.6 | -172.9 | 0 | 0 | 111.2 | K110 L112 S117 I118 | K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 3.4Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.33Å; E114-S117 WeakPolarHBondContact CA-OG 3.35Å; E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 3.06Å; E114-I118 WeakPolarHBondContact O-CB 3.45Å; E114-I118 WeakPolarHBondContact O-CD1 3.27Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 3.17Å |
| 115 | H | 82.8 | Confident | 80.7 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 21% | 0.213 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 178.8 | -171.5 | 80.9 | 0 | 0 | 0 | 113.2 | F84 Y88 P111 L112 D113 S117 N119 | F84-H115 AromaticContact CD1-NE2 3.93Å; Y88-H115 AromaticContact CE2-NE2 3.31Å; Y88-H115 VanDerWaalsContact CE2-NE2 3.31Å; Y88-H115 WeakPolarHBondContact CE2-NE2 3.46Å; Y88-H115 AromaticContact CZ-CE1 3.88Å; Y88-H115 AromaticContact CZ-NE2 3.29Å; Y88-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y88-H115 PolarHBondContact OH-CE1 3.03Å; Y88-H115 PolarHBondContact OH-NE2 3.35Å; P111-H115 WeakPolarHBondContact O-CB 3.42Å; P111-H115 PolarHBondContact O-N 2.95Å; L112-H115 WeakPolarHBondContact O-CB 3.32Å; L112-H115 PolarHBondContact O-N 3.41Å; D113-H115 VanDerWaalsContact C-N 3.32Å; D113-H115 PolarHBondContact O-N 3.31Å; H115-S117 VanDerWaalsContact C-N 3.35Å; H115-N119 WeakPolarHBondContact O-CB 3.37Å; H115-N119 PolarHBondContact O-N 3.39Å; H115-N119 VanDerWaalsContact O-N 3.11Å; H115-N119 PolarHBondContact O-ND2 3.37Å |
| 116 | L | 82.7 | Confident | 80.7 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.3 | -69.2 | 174.7 | 0 | 0 | 0 | 111.3 | L87 L112 D113 N119 K120 M121 V126 | L87-L116 HydrophobicContact CD1-CD2 3.85Å; L87-L116 HydrophobicContact CD2-CD2 4.16Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.34Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 2.92Å; D113-L116 PolarHBondContact O-N 2.99Å; L116-N119 CarbonylContact O-C 3.57Å; L116-N119 PolarHBondContact O-N 3Å; L116-K120 PolarHBondContact O-N 3.23Å; L116-K120 VanDerWaalsContact O-N 3.15Å; L116-M121 HydrophobicContact CB-CB 4.29Å; L116-M121 HydrophobicContact CD2-CB 3.89Å; L116-M121 HydrophobicContact CD2-CG 4.24Å; L116-M121 HydrophobicContact CD2-SD 3.52Å; L116-M121 VanDerWaalsContact CD2-SD 3.52Å; L116-M121 PolarHBondContact O-N 2.98Å; L116-V126 HydrophobicContact CD1-CG2 3.31Å |
| 117 | S | 85 | Confident | 80.8 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | D113 E114 H115 N119 K120 | D113-S117 PolarHBondContact O-N 2.83Å; D113-S117 PolarHBondContact O-OG 3Å; E114-S117 WeakPolarHBondContact CA-OG 3.35Å; E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 3.06Å; H115-S117 VanDerWaalsContact C-N 3.35Å; S117-N119 VanDerWaalsContact C-N 3.27Å; S117-N119 PolarHBondContact O-N 3.32Å; S117-K120 PolarHBondContact O-N 3.22Å; S117-K120 VanDerWaalsContact O-N 3.13Å |
| 118 | I | 84.8 | Confident | 80.9 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 68% | 0.677 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 175.3 | -71 | 165.4 | 0 | 0 | 0 | 111.1 | E114 K120 | E114-I118 WeakPolarHBondContact O-CB 3.45Å; E114-I118 WeakPolarHBondContact O-CD1 3.27Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 3.17Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.48Å |
| 119 | N | 81.9 | Confident | 81 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7.1 | -179.7 | -70.6 | -74.2 | 0 | 0 | 0 | 113.9 | Y88 H115 L116 S117 M121 | Y88-N119 PolarHBondContact OH-ND2 2.78Å; Y88-N119 VanDerWaalsContact OH-ND2 3.13Å; H115-N119 WeakPolarHBondContact O-CB 3.37Å; H115-N119 PolarHBondContact O-N 3.39Å; H115-N119 VanDerWaalsContact O-N 3.11Å; H115-N119 PolarHBondContact O-ND2 3.37Å; L116-N119 CarbonylContact O-C 3.57Å; L116-N119 PolarHBondContact O-N 3Å; S117-N119 VanDerWaalsContact C-N 3.27Å; S117-N119 PolarHBondContact O-N 3.32Å; N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 HydrophobicContact CB-CG 3.9Å; N119-M121 HydrophobicContact CB-SD 4.21Å; N119-M121 PolarHBondContact O-N 3.34Å |
| 120 | K | 82.3 | Confident | 80.7 | Confident | 166 Ų | 166 | 80.8 Ų | 80.8 | 72% | 0.722 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 39.3 | -179.9 | -54.6 | -178.2 | 179 | -177.9 | 0 | 113.1 | L116 S117 I118 D122 | L116-K120 PolarHBondContact O-N 3.23Å; L116-K120 VanDerWaalsContact O-N 3.15Å; S117-K120 PolarHBondContact O-N 3.22Å; S117-K120 VanDerWaalsContact O-N 3.13Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.48Å; K120-D122 PolarHBondContact O-N 3.37Å |
| 121 | M | 80.1 | Confident | 80 | Confident | 15 Ų | 15 | 74.8 Ų | 74.8 | 7% | 0.074 | 39% | 0.387 | C | S | . | . | trans | -89.2 | 49.6 | 177.3 | -55 | -173.3 | 117.3 | 0 | 0 | 110.7 | L87 I92 L116 N119 N123 A124 | L87-M121 HydrophobicContact CB-CE 4.03Å; L87-M121 HydrophobicContact CB-SD 4.29Å; L87-M121 WeakPolarHBondContact O-CE 3.38Å; I92-M121 HydrophobicContact CD1-CB 3.64Å; I92-M121 HydrophobicContact CD1-CE 3.72Å; I92-M121 HydrophobicContact CD1-CG 3.46Å; I92-M121 VanDerWaalsContact CD1-CG 3.46Å; I92-M121 HydrophobicContact CD1-SD 4.37Å; L116-M121 HydrophobicContact CB-CB 4.29Å; L116-M121 HydrophobicContact CD2-CB 3.89Å; L116-M121 HydrophobicContact CD2-CG 4.24Å; L116-M121 HydrophobicContact CD2-SD 3.52Å; L116-M121 VanDerWaalsContact CD2-SD 3.52Å; L116-M121 PolarHBondContact O-N 2.98Å; N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 HydrophobicContact CB-CG 3.9Å; N119-M121 HydrophobicContact CB-SD 4.21Å; N119-M121 PolarHBondContact O-N 3.34Å; M121-N123 PolarHBondContact O-N 2.9Å; M121-A124 HydrophobicContact CB-CB 4.28Å; M121-A124 PolarHBondContact O-N 2.9Å | ||
| 122 | D | 76.6 | Confident | 79.2 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.8 | -167.1 | -58.7 | -28.3 | 0 | 0 | 0 | 113.4 | K120 | K120-D122 PolarHBondContact O-N 3.37Š|
| 123 | N | 77.1 | Confident | 78.6 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -30 | 174.6 | 58.5 | -58.7 | 0 | 0 | 0 | 112.2 | I92 L95 M121 K125 | I92-N123 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N123 PolarHBondContact O-ND2 3.39Å; L95-N123 PolarHBondContact O-ND2 2.54Å; M121-N123 PolarHBondContact O-N 2.9Å; N123-K125 PolarHBondContact O-N 3.13Å |
| 124 | A | 77.8 | Confident | 78 | Confident | 9 Ų | 9 | 79 Ų | 79 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | trans | -80.4 | 107 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | M121 | M121-A124 HydrophobicContact CB-CB 4.28Å; M121-A124 PolarHBondContact O-N 2.9Å | ||
| 125 | K | 77.2 | Confident | 77.3 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.1 | 173.4 | -61.9 | 175.2 | -170.7 | 163.6 | 0 | 111.2 | E97 V98 N123 | E97-K125 HydrophobicContact CG-CB 4.3Å; V98-K125 PolarHBondContact N-O 3.47Å; N123-K125 PolarHBondContact O-N 3.13Å |
| 126 | V | 78.1 | Confident | 76.9 | Confident | 21 Ų | 21 | 86.4 Ų | 86.4 | 13% | 0.127 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 110.8 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 110 | V98 V100 L112 L116 R128 | V98-V126 VanDerWaalsContact O-CA 3.28Å; V98-V126 WeakPolarHBondContact O-CA 3.35Å; V100-V126 HydrophobicContact CG2-CG1 4.29Å; L112-V126 HydrophobicContact CD2-CB 4.4Å; L112-V126 HydrophobicContact CD2-CG1 3.93Å; L112-V126 HydrophobicContact CD2-CG2 3.71Å; L112-V126 HydrophobicContact CG-CG2 4.12Å; L116-V126 HydrophobicContact CD1-CG2 3.31Å; V126-R128 HydrophobicContact CG1-CG 4.06Å |
| 127 | L | 79.7 | Confident | 76.3 | Confident | 74 Ų | 74 | 96 Ų | 96 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.1 | 170.4 | -62.5 | -179.1 | 0 | 0 | 0 | 108.9 | E97 V98 L99 V100 | E97-L127 WeakPolarHBondContact OE2-CD1 3.21Å; V98-L127 PolarHBondContact O-N 3.5Å; V98-L127 VanDerWaalsContact O-N 3.17Å; L99-L127 HydrophobicContact CB-CB 4.35Å; L99-L127 HydrophobicContact CD1-CB 3.35Å; L99-L127 HydrophobicContact CD1-CD1 4.48Å; L99-L127 WeakPolarHBondContact CD1-O 3.21Å; L99-L127 HydrophobicContact CG-CB 4.41Å; V100-L127 PolarHBondContact N-O 2.98Å |
| 128 | R | 78.5 | Confident | 75.4 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.8 | -178.6 | -60.9 | 176.9 | -179.7 | 89.7 | -2.9 | 108.9 | F108 G109 D113 V126 | F108-R128 PolarHBondContact O-NE 2.95Å; F108-R128 PolarHBondContact O-NH2 2.98Å; G109-R128 PolarHBondContact O-NH2 3.27Å; D113-R128 IonicContact OD1-CZ 3.09Å; D113-R128 IonicContact OD1-NH1 2.6Å; D113-R128 PolarHBondContact OD1-NH1 2.65Å; D113-R128 VanDerWaalsContact OD1-NH1 3.17Å; D113-R128 IonicContact OD1-NH2 3.94Å; D113-R128 PolarHBondContact OD1-NH2 2.76Å; D113-R128 IonicContact OD2-CZ 3.17Å; D113-R128 IonicContact OD2-NH1 3.34Å; D113-R128 PolarHBondContact OD2-NH1 3.15Å; D113-R128 IonicContact OD2-NH2 3.53Å; D113-R128 PolarHBondContact OD2-NH2 3.26Å; D113-R128 VanDerWaalsContact OD2-NH2 3.13Å; V126-R128 HydrophobicContact CG1-CG 4.06Å |
| 129 | T | 76.9 | Confident | 74.7 | Confident | 49 Ų | 49 | 100.6 Ų | 100.6 | 30% | 0.301 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | L99 D101 A102 G131 V133 | L99-T129 HydrophobicContact CD1-CG2 4.49Å; D101-T129 HydrophobicContact CB-CG2 4.44Å; D101-T129 WeakPolarHBondContact OD1-CG2 3.28Å; A102-T129 WeakPolarHBondContact CA-O 3.36Å; A102-T129 PolarHBondContact N-O 3.39Å; T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 WeakPolarHBondContact CG2-O 3.2Å; T129-G131 PolarHBondContact OG1-N 3.37Å; T129-G131 PolarHBondContact OG1-O 3.03Å; T129-V133 HydrophobicContact CG2-CG2 3.74Å |
| 130 | M | 73.4 | Confident | 73.8 | Confident | 189 Ų | 189 | 104.5 Ų | 104.5 | 93% | 0.931 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -87.1 | 0.4 | 174.8 | -69.6 | -64 | -61.4 | 0 | 0 | 112.8 | ||
| 131 | G | 69.4 | Low | 73.4 | Confident | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -154.7 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D101 T129 V133 | D101-G131 VanDerWaalsContact OD1-O 3.08Å; T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 WeakPolarHBondContact CG2-O 3.2Å; T129-G131 PolarHBondContact OG1-N 3.37Å; T129-G131 PolarHBondContact OG1-O 3.03Å; G131-V133 PolarHBondContact O-N 3.19Å |
| 132 | A | 67.9 | Low | 73 | Confident | 81 Ų | 81 | 106 Ų | 106 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | trans | -54.6 | 133.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D101 V134 | D101-A132 WeakPolarHBondContact OD2-CA 3.02Å; A132-V134 PolarHBondContact O-N 2.94Å | ||
| 133 | V | 69.1 | Low | 72.8 | Confident | 41 Ų | 41 | 104.5 Ų | 104.5 | 25% | 0.248 | 58% | 0.58 | C | S | . | * | trans | -73.9 | 112.5 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | L99 D101 T129 G131 F135 | L99-V133 HydrophobicContact CD1-CG2 4.29Å; L99-V133 HydrophobicContact CD2-CB 4.09Å; L99-V133 HydrophobicContact CD2-CG1 3.52Å; L99-V133 HydrophobicContact CD2-CG2 3.43Å; L99-V133 VanDerWaalsContact CD2-CG2 3.43Å; L99-V133 HydrophobicContact CG-CG2 3.89Å; D101-V133 HydrophobicContact CB-CG2 4.29Å; D101-V133 PolarHBondContact OD2-N 3.05Å; T129-V133 HydrophobicContact CG2-CG2 3.74Å; G131-V133 PolarHBondContact O-N 3.19Å; V133-F135 HydrophobicContact CB-CE2 4.34Å; V133-F135 HydrophobicContact CG1-CD2 4.19Å; V133-F135 HydrophobicContact CG1-CE1 4.21Å; V133-F135 HydrophobicContact CG1-CE2 3.66Å; V133-F135 HydrophobicContact CG1-CZ 3.69Å | ||
| 134 | V | 69.9 | Low | 72.6 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | trans | -98.3 | 111.8 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | A132 H136 | A132-V134 PolarHBondContact O-N 2.94Å; V134-H136 PolarHBondContact O-N 3.18Å | ||
| 135 | F | 72.3 | Confident | 72.2 | Confident | 145 Ų | 145 | 113.4 Ų | 113.4 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | trans | -83.2 | 113.1 | 171.1 | -62.9 | -85.8 | 0 | 0 | 0 | 109.9 | V75 V133 | V75-F135 HydrophobicContact CB-CE2 4.45Å; V75-F135 HydrophobicContact CB-CZ 3.79Å; V75-F135 HydrophobicContact CG1-CE2 4.09Å; V75-F135 HydrophobicContact CG1-CZ 3.75Å; V75-F135 HydrophobicContact CG2-CE1 4.08Å; V75-F135 HydrophobicContact CG2-CZ 3.49Å; V75-F135 VanDerWaalsContact CG2-CZ 3.49Å; V133-F135 HydrophobicContact CB-CE2 4.34Å; V133-F135 HydrophobicContact CG1-CD2 4.19Å; V133-F135 HydrophobicContact CG1-CE1 4.21Å; V133-F135 HydrophobicContact CG1-CE2 3.66Å; V133-F135 HydrophobicContact CG1-CZ 3.69Å | ||
| 136 | H | 74.9 | Confident | 71.9 | Confident | 168 Ų | 168 | 112.7 Ų | 112.7 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | trans | -77.1 | 132.5 | 166.8 | -74.1 | -78.1 | 0 | 0 | 0 | 109.6 | V134 C138 | V134-H136 PolarHBondContact O-N 3.18Å; H136-C138 PolarHBondContact O-N 3.18Å; H136-C138 VanDerWaalsContact O-N 3.12Å | ||
| 137 | R | 69.9 | Low | 71.5 | Confident | 214 Ų | 214 | 119.3 Ų | 119.3 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | trans | -67.2 | 110 | 166.9 | -169.3 | -175.6 | -71.1 | -155.5 | 0.1 | 107 | H139 | R137-H139 PolarHBondContact O-N 2.98Å; R137-H139 VanDerWaalsContact O-N 3.12Å | ||
| 138 | C | 65.5 | Low | 70.8 | Confident | 126 Ų | 126 | 122.8 Ų | 122.8 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | trans | -62.8 | 115.2 | 166.2 | -95 | 0 | 0 | 0 | 0 | 108 | H136 G140 | H136-C138 PolarHBondContact O-N 3.18Å; H136-C138 VanDerWaalsContact O-N 3.12Å; C138-G140 PolarHBondContact O-N 3.17Å | ||
| 139 | H | 69.2 | Low | 70.2 | Confident | 176 Ų | 176 | 123.1 Ų | 123.1 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | trans | -79.5 | 99.2 | 163.7 | -81.5 | -82.9 | 0 | 0 | 0 | 107.1 | R137 | R137-H139 PolarHBondContact O-N 2.98Å; R137-H139 VanDerWaalsContact O-N 3.12Å | ||
| 140 | G | 63.7 | Low | 69.6 | Low | 149 Ų | 149 | 129.8 Ų | 129.8 | 100% | 1.536 | 75% | 0.751 | S | S | * | * | trans | -108.4 | 0 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | C138 | C138-G140 PolarHBondContact O-N 3.17Š|
Retrieved 140 of 140 residues in 132.7 ms
(Link to these results)