| 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 | 35.8 | Very low | 70 | Confident | 232 Ų | 232 | 76.4 Ų | 76.4 | 100% | 1.143 | 40% | 0.396 | S | S | * | . | 0 | 122 | 0 | -69.7 | 179.9 | 173.3 | 0 | 0 | 106.7 | E3 | M1-E3 PolarHBondContact O-N 3.32Š| |||
| 2 | P | 41.5 | Very low | 71.9 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 79% | 0.786 | 37% | 0.37 | S | S | * | . | trans | -58.4 | 135.2 | 167.9 | 26.7 | -30.8 | 0 | 0 | 0 | 107.6 | L4 | P2-L4 PolarHBondContact O-N 3.48Š| ||
| 3 | E | 41.3 | Very low | 73.4 | Confident | 169 Ų | 169 | 68.3 Ų | 68.3 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | trans | -62.2 | 100.1 | 174.5 | -84.5 | -165.2 | 127.9 | 0 | 0 | 108.4 | M1 A5 | M1-E3 PolarHBondContact O-N 3.32Å; E3-A5 PolarHBondContact O-N 3.18Å | ||
| 4 | L | 57.1 | Low | 74.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 38% | 0.377 | 36% | 0.361 | S | S | . | . | trans | -56.1 | 111.4 | 159.7 | -81.8 | 157.9 | 0 | 0 | 0 | 106.3 | P2 V6 I139 | P2-L4 PolarHBondContact O-N 3.48Å; L4-V6 PolarHBondContact O-N 2.98Å; L4-I139 HydrophobicContact CD2-CG2 3.97Å | ||
| 5 | A | 66.3 | Low | 75.8 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -56.7 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | E3 W43 | E3-A5 PolarHBondContact O-N 3.18Å; A5-W43 VanDerWaalsContact C-CZ2 3.46Å; A5-W43 HydrophobicContact CB-CH2 3.94Å; A5-W43 HydrophobicContact CB-CZ2 4.03Å; A5-W43 WeakPolarHBondContact O-CZ2 3.47Å |
| 6 | V | 75.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | trans | -101.9 | 124.7 | 176.8 | -164.3 | 0 | 0 | 0 | 0 | 110 | L4 K8 V9 W43 L48 V120 I139 V158 | L4-V6 PolarHBondContact O-N 2.98Å; V6-K8 WeakPolarHBondContact CG1-O 3.43Å; V6-V9 HydrophobicContact CG1-CG2 3.79Å; V6-W43 HydrophobicContact CB-CH2 4.02Å; V6-W43 HydrophobicContact CB-CZ3 4.5Å; V6-W43 HydrophobicContact CG2-CH2 3.18Å; V6-W43 HydrophobicContact CG2-CZ2 4.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.46Å; V6-W43 VanDerWaalsContact CG2-CZ3 3.46Å; V6-L48 HydrophobicContact CG1-CB 4.02Å; V6-V120 HydrophobicContact CG2-CG2 3.71Å; V6-I139 HydrophobicContact CG2-CD1 4.16Å; V6-V158 HydrophobicContact CG1-CG1 4.18Å | ||
| 7 | Q | 84.8 | Confident | 77.5 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -96.2 | -33.4 | 168.9 | -171.8 | 174.5 | 5.9 | 0 | 0 | 111.8 | K46 V158 T159 | Q7-K46 HydrophobicContact CB-CB 4.24Å; Q7-K46 PolarHBondContact N-O 2.8Å; Q7-V158 WeakPolarHBondContact O-CG1 3.4Å; Q7-T159 PolarHBondContact O-OG1 3.19Å; Q7-T159 VanDerWaalsContact O-OG1 3.08Å |
| 8 | K | 89.4 | Confident | 78.3 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.3 | -172.8 | -163.7 | -176.5 | -161.1 | -170.4 | 0 | 110.9 | V6 K46 V47 L48 T159 E161 | V6-K8 WeakPolarHBondContact CG1-O 3.43Å; K8-K46 PolarHBondContact N-O 3.45Å; K8-V47 HydrophobicContact CB-CG1 4.41Å; K8-V47 HydrophobicContact CB-CG2 4.37Å; K8-V47 WeakPolarHBondContact O-CA 3.38Å; K8-L48 PolarHBondContact O-N 2.67Å; K8-T159 WeakPolarHBondContact CA-O 3.16Å; K8-E161 WeakPolarHBondContact CE-OE1 3.28Å; K8-E161 WeakPolarHBondContact CE-OE2 3.44Å; K8-E161 IonicContact NZ-OE1 2.6Å; K8-E161 PolarHBondContact NZ-OE1 3.29Å; K8-E161 IonicContact NZ-OE2 2.64Å; K8-E161 PolarHBondContact NZ-OE2 3.45Å |
| 9 | V | 91.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.9 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | V6 V11 L48 V50 V120 V122 A137 V158 T159 S160 E161 | V6-V9 HydrophobicContact CG1-CG2 3.79Å; V9-V11 HydrophobicContact CG1-CG2 4.09Å; V9-L48 HydrophobicContact CG1-CD2 4.27Å; V9-L48 HydrophobicContact CG2-CB 4.38Å; V9-L48 HydrophobicContact CG2-CD2 4.32Å; V9-V50 HydrophobicContact CG1-CG2 3.95Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; V9-V122 HydrophobicContact CG1-CG2 4.34Å; V9-A137 HydrophobicContact CB-CB 3.9Å; V9-A137 HydrophobicContact CG1-CB 4.32Å; V9-A137 HydrophobicContact CG2-CB 3.74Å; V9-V158 HydrophobicContact CG2-CG1 4.22Å; V9-T159 PolarHBondContact N-O 3.02Å; V9-S160 WeakPolarHBondContact O-CA 3.43Å; V9-E161 PolarHBondContact O-N 3.47Å |
| 10 | V | 93.4 | Very high | 79.4 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.5 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V47 L48 V50 E161 | V10-V47 HydrophobicContact CG2-CG1 3.56Å; V10-L48 PolarHBondContact N-O 2.99Å; V10-V50 PolarHBondContact O-N 3.11Å; V10-E161 WeakPolarHBondContact CA-O 3.48Å; V10-E161 HydrophobicContact CB-CG 4.48Å; V10-E161 HydrophobicContact CG1-CG 4.41Å; V10-E161 HydrophobicContact CG2-CG 3.94Å |
| 11 | V | 92.7 | Very high | 79.9 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.7 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V9 V15 L16 V122 T135 E161 I162 G163 | V9-V11 HydrophobicContact CG1-CG2 4.09Å; V11-V15 HydrophobicContact CG1-CB 4.05Å; V11-V15 HydrophobicContact CG1-CG1 4.05Å; V11-L16 HydrophobicContact CG1-CD2 3.98Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; V11-V122 HydrophobicContact CG2-CG1 4.32Å; V11-T135 HydrophobicContact CB-CG2 4.42Å; V11-T135 HydrophobicContact CG1-CG2 4.41Å; V11-T135 HydrophobicContact CG2-CG2 4.43Å; V11-E161 PolarHBondContact N-O 2.96Å; V11-I162 VanDerWaalsContact O-CA 3.3Å; V11-I162 WeakPolarHBondContact O-CA 3.35Å; V11-I162 WeakPolarHBondContact O-CG2 3.49Å; V11-G163 PolarHBondContact O-N 3.01Å |
| 12 | H | 93.2 | Very high | 82.3 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | trans | -75.5 | 143.1 | 176.2 | -76.8 | -145.8 | 0 | 0 | 0 | 112.2 | L14 V15 V50 G163 E168 | H12-L14 PolarHBondContact O-N 3.43Å; H12-L14 VanDerWaalsContact O-N 3.14Å; H12-V15 WeakPolarHBondContact O-CB 3.35Å; H12-V15 PolarHBondContact O-N 3.41Å; H12-V50 WeakPolarHBondContact CB-O 3.46Å; H12-V50 PolarHBondContact CD2-O 3Å; H12-V50 PolarHBondContact N-O 2.94Å; H12-V50 VanDerWaalsContact N-O 3.09Å; H12-G163 WeakPolarHBondContact CA-O 3.02Å; H12-E168 IonicContact CG-OE1 3.47Å; H12-E168 IonicContact CG-OE2 2.95Å; H12-E168 IonicContact ND1-OE1 3.56Å; H12-E168 PolarHBondContact ND1-OE1 3.49Å; H12-E168 IonicContact ND1-OE2 3.1Å | ||
| 13 | P | 91.2 | Very high | 84.4 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.4 | -32 | 174.4 | -29.8 | 32.6 | 0 | 0 | 0 | 114.5 | V15 L16 L17 I162 G163 A164 E168 V172 | P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.49Å; P13-L16 PolarHBondContact O-N 3.17Å; P13-L17 PolarHBondContact O-N 3.48Å; P13-I162 HydrophobicContact CG-CG2 4Å; P13-G163 WeakPolarHBondContact CD-O 3.44Å; P13-A164 HydrophobicContact CG-CB 4.42Å; P13-E168 WeakPolarHBondContact CD-OE2 3.42Å; P13-V172 HydrophobicContact CB-CG2 4.01Å; P13-V172 HydrophobicContact CG-CG2 4.33Å |
| 14 | L | 91.6 | Very high | 86.6 | Confident | 78 Ų | 78 | 42.6 Ų | 42.6 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -41.2 | 176 | -174.6 | 152.3 | 0 | 0 | 0 | 112.1 | H12 L17 S18 E168 | H12-L14 PolarHBondContact O-N 3.43Å; H12-L14 VanDerWaalsContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.27Å; L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 2.99Å; L14-E168 PolarHBondContact N-OE2 3.47Å |
| 15 | V | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | V11 H12 P13 L17 S18 V19 L39 V50 I124 | V11-V15 HydrophobicContact CG1-CB 4.05Å; V11-V15 HydrophobicContact CG1-CG1 4.05Å; H12-V15 WeakPolarHBondContact O-CB 3.35Å; H12-V15 PolarHBondContact O-N 3.41Å; P13-V15 VanDerWaalsContact C-N 3.27Å; P13-V15 PolarHBondContact O-N 3.49Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 3.4Å; V15-S18 WeakPolarHBondContact O-CB 3.48Å; V15-S18 PolarHBondContact O-N 3.02Å; V15-V19 HydrophobicContact CG1-CG2 4.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.46Å; V15-L39 HydrophobicContact CG1-CD2 3.95Å; V15-V50 HydrophobicContact CG1-CG1 4.44Å; V15-V50 HydrophobicContact CG2-CG1 4.08Å; V15-I124 HydrophobicContact CG1-CD1 4.29Å |
| 16 | L | 90.3 | Very high | 88.7 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.5 | -56.1 | -178.4 | 0 | 0 | 0 | 111.5 | V11 P13 V19 V20 I124 T135 I162 | V11-L16 HydrophobicContact CG1-CD2 3.98Å; V11-L16 HydrophobicContact CG1-CG 4.34Å; P13-L16 PolarHBondContact O-N 3.17Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å; L16-I124 HydrophobicContact CD2-CD1 4.14Å; L16-I124 HydrophobicContact CD2-CG1 4.38Å; L16-I124 HydrophobicContact CD2-CG2 3.93Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; L16-I162 HydrophobicContact CD1-CD1 3.87Å; L16-I162 HydrophobicContact CD1-CG1 4.28Å |
| 17 | L | 89.4 | Confident | 88.5 | Confident | 122 Ų | 122 | 49 Ų | 49 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 177.6 | -169.5 | 66.8 | 0 | 0 | 0 | 111.9 | P13 L14 V15 V19 V20 D21 | P13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.27Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 3.4Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-V20 PolarHBondContact O-N 2.94Å; L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.4Å |
| 18 | S | 91.3 | Very high | 88 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | L14 V15 D21 H22 S53 | L14-S18 WeakPolarHBondContact O-CB 3.34Å; L14-S18 PolarHBondContact O-N 2.99Å; V15-S18 WeakPolarHBondContact O-CB 3.48Å; V15-S18 PolarHBondContact O-N 3.02Å; S18-D21 PolarHBondContact O-N 3.47Å; S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.47Å; S18-S53 PolarHBondContact OG-O 2.61Å |
| 19 | V | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | V15 L16 L17 H22 F23 Y95 T97 I124 | V15-V19 HydrophobicContact CG1-CG2 4.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.46Å; L16-V19 PolarHBondContact O-N 3.32Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.95Å; V19-H22 PolarHBondContact O-N 3.26Å; V19-F23 WeakPolarHBondContact O-CB 3.43Å; V19-F23 PolarHBondContact O-N 2.99Å; V19-Y95 HydrophobicContact CB-CE2 4.1Å; V19-Y95 HydrophobicContact CG1-CD2 4Å; V19-Y95 HydrophobicContact CG1-CE2 3.75Å; V19-Y95 HydrophobicContact CG2-CD1 4.45Å; V19-Y95 HydrophobicContact CG2-CD2 3.73Å; V19-Y95 HydrophobicContact CG2-CE1 4.2Å; V19-Y95 HydrophobicContact CG2-CE2 3.47Å; V19-Y95 VanDerWaalsContact CG2-CE2 3.47Å; V19-Y95 HydrophobicContact CG2-CG 4.21Å; V19-T97 HydrophobicContact CG1-CG2 3.21Å; V19-I124 HydrophobicContact CB-CD1 4.23Å; V19-I124 HydrophobicContact CB-CG2 4.44Å; V19-I124 HydrophobicContact CG1-CB 4.13Å; V19-I124 HydrophobicContact CG1-CD1 4.23Å; V19-I124 HydrophobicContact CG1-CG2 3.97Å; V19-I124 HydrophobicContact CG2-CD1 3.5Å |
| 20 | V | 88.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L16 L17 H22 F23 N24 V126 | L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å; L17-V20 PolarHBondContact O-N 2.94Å; V20-H22 VanDerWaalsContact C-N 3.35Å; V20-F23 PolarHBondContact O-N 3.01Å; V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.01Å; V20-N24 PolarHBondContact O-ND2 3.43Å; V20-V126 HydrophobicContact CG2-CG1 4.47Å |
| 21 | D | 89.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 174.4 | -178.2 | 60.1 | 0 | 0 | 0 | 111.1 | L17 S18 F23 N24 R25 | L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.4Å; S18-D21 PolarHBondContact O-N 3.47Å; D21-F23 PolarHBondContact O-N 2.84Å; D21-N24 PolarHBondContact O-N 3.38Å; D21-R25 WeakPolarHBondContact O-CG 3.35Å; D21-R25 PolarHBondContact O-N 3.45Å; D21-R25 IonicContact OD1-NE 3.77Å; D21-R25 IonicContact OD2-CZ 2.76Å; D21-R25 IonicContact OD2-NE 3.73Å; D21-R25 PolarHBondContact OD2-NE 2.94Å; D21-R25 IonicContact OD2-NH2 3.71Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å |
| 22 | H | 87.1 | Confident | 82.3 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 177.3 | -175.3 | -166.6 | 0 | 0 | 0 | 111.9 | S18 V19 V20 N24 R25 I26 V35 A55 Y95 | S18-H22 WeakPolarHBondContact O-CB 3.47Å; S18-H22 PolarHBondContact O-N 3.47Å; V19-H22 PolarHBondContact O-N 3.26Å; V20-H22 VanDerWaalsContact C-N 3.35Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 3.35Å; H22-R25 PolarHBondContact O-N 3.26Å; H22-I26 WeakPolarHBondContact NE2-CD1 3.37Å; H22-I26 PolarHBondContact O-N 3.12Å; H22-V35 WeakPolarHBondContact CE1-CG1 3.31Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.38Å; H22-V35 VanDerWaalsContact NE2-CG1 3.28Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.47Å; H22-A55 WeakPolarHBondContact CE1-CA 3.34Å; H22-A55 WeakPolarHBondContact CE1-CB 3.38Å; H22-A55 VanDerWaalsContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact NE2-CB 3.32Å; H22-Y95 PolarHBondContact ND1-OH 3.22Å |
| 23 | F | 85.9 | Confident | 81.4 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.8 | -176.3 | -96.3 | 0 | 0 | 0 | 112.2 | V19 V20 D21 R25 I26 G27 V35 V126 | V19-F23 WeakPolarHBondContact O-CB 3.43Å; V19-F23 PolarHBondContact O-N 2.99Å; V20-F23 PolarHBondContact O-N 3.01Å; D21-F23 PolarHBondContact O-N 2.84Å; F23-R25 PolarHBondContact O-N 3.15Å; F23-I26 PolarHBondContact O-N 3Å; F23-G27 PolarHBondContact O-N 2.9Å; F23-V35 HydrophobicContact CD2-CG2 4.15Å; F23-V126 HydrophobicContact CB-CG1 3.94Å; F23-V126 HydrophobicContact CB-CG2 4.16Å; F23-V126 HydrophobicContact CD1-CB 4.29Å; F23-V126 HydrophobicContact CD1-CG1 3.43Å; F23-V126 VanDerWaalsContact CD1-CG1 3.43Å; F23-V126 HydrophobicContact CD2-CB 4.49Å; F23-V126 HydrophobicContact CD2-CG1 4.36Å; F23-V126 HydrophobicContact CD2-CG2 4.02Å; F23-V126 HydrophobicContact CE1-CG1 3.95Å; F23-V126 HydrophobicContact CG-CB 4.25Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.99Å |
| 24 | N | 87 | Confident | 81 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 178.4 | -75 | -31 | 0 | 0 | 0 | 113.3 | V20 D21 H22 K28 | V20-N24 WeakPolarHBondContact O-CB 3.38Å; V20-N24 PolarHBondContact O-N 3.01Å; V20-N24 PolarHBondContact O-ND2 3.43Å; D21-N24 PolarHBondContact O-N 3.38Å; H22-N24 VanDerWaalsContact C-N 3.31Å; H22-N24 PolarHBondContact O-N 3.35Å; N24-K28 WeakPolarHBondContact O-CG 3.42Å; N24-K28 PolarHBondContact O-N 3.31Å |
| 25 | R | 85.8 | Confident | 80.8 | Confident | 160 Ų | 160 | 64 Ų | 64 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -45.2 | 175.4 | -70.8 | 179.3 | -167.1 | -149.2 | 7.1 | 111.6 | D21 H22 F23 K28 | D21-R25 WeakPolarHBondContact O-CG 3.35Å; D21-R25 PolarHBondContact O-N 3.45Å; D21-R25 IonicContact OD1-NE 3.77Å; D21-R25 IonicContact OD2-CZ 2.76Å; D21-R25 IonicContact OD2-NE 3.73Å; D21-R25 PolarHBondContact OD2-NE 2.94Å; D21-R25 IonicContact OD2-NH2 3.71Å; D21-R25 PolarHBondContact OD2-NH2 3.35Å; H22-R25 PolarHBondContact O-N 3.26Å; F23-R25 PolarHBondContact O-N 3.15Å; R25-K28 PolarHBondContact O-N 3.45Å |
| 26 | I | 81.3 | Confident | 80.8 | Confident | 54 Ų | 54 | 64 Ų | 64 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 178.6 | -67.8 | 171.5 | 0 | 0 | 0 | 110.8 | H22 F23 K28 V29 V35 | H22-I26 WeakPolarHBondContact NE2-CD1 3.37Å; H22-I26 PolarHBondContact O-N 3.12Å; F23-I26 PolarHBondContact O-N 3Å; I26-K28 PolarHBondContact O-N 3.46Å; I26-K28 VanDerWaalsContact O-N 3.11Å; I26-V29 WeakPolarHBondContact O-CB 3.44Å; I26-V29 PolarHBondContact O-N 3.06Å; I26-V35 HydrophobicContact CB-CG2 4.38Å; I26-V35 HydrophobicContact CD1-CB 4.14Å; I26-V35 HydrophobicContact CD1-CG1 3.5Å; I26-V35 VanDerWaalsContact CD1-CG1 3.5Å; I26-V35 HydrophobicContact CD1-CG2 3.52Å; I26-V35 HydrophobicContact CG2-CG2 4.43Å |
| 27 | G | 71.2 | Confident | 80.9 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.1 | -25.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F23 V29 | F23-G27 PolarHBondContact O-N 2.9Å; G27-V29 VanDerWaalsContact C-N 3.32Å |
| 28 | K | 74.9 | Confident | 81.1 | Confident | 182 Ų | 182 | 56.9 Ų | 56.9 | 79% | 0.791 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.2 | 174.7 | -70.4 | 174.4 | -176.7 | 178.5 | 0 | 113.7 | N24 R25 I26 G30 | N24-K28 WeakPolarHBondContact O-CG 3.42Å; N24-K28 PolarHBondContact O-N 3.31Å; R25-K28 PolarHBondContact O-N 3.45Å; I26-K28 PolarHBondContact O-N 3.46Å; I26-K28 VanDerWaalsContact O-N 3.11Å; K28-G30 PolarHBondContact O-N 3.27Å |
| 29 | V | 65.9 | Low | 81.2 | Confident | 127 Ų | 127 | 55.2 Ų | 55.2 | 77% | 0.77 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.4 | -178.4 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | I26 G27 | I26-V29 WeakPolarHBondContact O-CB 3.44Å; I26-V29 PolarHBondContact O-N 3.06Å; G27-V29 VanDerWaalsContact C-N 3.32Å |
| 30 | G | 55.1 | Low | 81.3 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -0.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K28 | K28-G30 PolarHBondContact O-N 3.27Š|
| 31 | N | 61.3 | Low | 81.5 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | trans | -113.1 | 105.9 | 176.6 | -124.9 | -12.4 | 0 | 0 | 0 | 110 | K33 | N31-K33 HydrophobicContact CB-CD 4.37Å; N31-K33 HydrophobicContact CB-CG 4.07Å; N31-K33 VanDerWaalsContact CG-CE 3.46Å; N31-K33 WeakPolarHBondContact ND2-CD 3.49Å; N31-K33 WeakPolarHBondContact ND2-CE 3.39Å; N31-K33 PolarHBondContact O-N 2.88Å; N31-K33 WeakPolarHBondContact OD1-CE 3.35Å | ||
| 32 | Q | 65.7 | Low | 81.5 | Confident | 136 Ų | 136 | 51.1 Ų | 51.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | trans | -79.3 | 57.6 | 169.7 | -68.9 | -128.2 | -41 | 0 | 0 | 110.2 | ||||
| 33 | K | 75.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | trans | -85 | 157.7 | 177.5 | -71 | -169.3 | 170.6 | -165 | 0 | 110.9 | N31 V35 E60 D62 | N31-K33 HydrophobicContact CB-CD 4.37Å; N31-K33 HydrophobicContact CB-CG 4.07Å; N31-K33 VanDerWaalsContact CG-CE 3.46Å; N31-K33 WeakPolarHBondContact ND2-CD 3.49Å; N31-K33 WeakPolarHBondContact ND2-CE 3.39Å; N31-K33 PolarHBondContact O-N 2.88Å; N31-K33 WeakPolarHBondContact OD1-CE 3.35Å; K33-V35 WeakPolarHBondContact O-CG2 3.48Å; K33-V35 PolarHBondContact O-N 3.28Å; K33-E60 PolarHBondContact NZ-O 3.41Å; K33-D62 VanDerWaalsContact CE-CG 3.44Å; K33-D62 WeakPolarHBondContact CE-OD1 3.32Å; K33-D62 WeakPolarHBondContact CE-OD2 3.33Å; K33-D62 IonicContact NZ-OD1 3.12Å; K33-D62 PolarHBondContact NZ-OD1 2.98Å; K33-D62 IonicContact NZ-OD2 2.84Å; K33-D62 PolarHBondContact NZ-OD2 3.48Å | ||
| 34 | R | 82.6 | Confident | 81.1 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -58.2 | 137.8 | 167.1 | 171.1 | 174.2 | 67.2 | 164.3 | 4.3 | 108.7 | E60 H96 T97 H102 D105 | R34-E60 IonicContact CZ-OE1 3.45Å; R34-E60 IonicContact CZ-OE2 3.2Å; R34-E60 IonicContact NE-OE2 2.83Å; R34-E60 PolarHBondContact NE-OE2 3.46Å; R34-E60 IonicContact NH2-OE1 2.72Å; R34-E60 PolarHBondContact NH2-OE1 2.92Å; R34-E60 IonicContact NH2-OE2 3.92Å; R34-E60 PolarHBondContact NH2-OE2 3.35Å; R34-H96 HydrophobicContact CG-CB 4.09Å; R34-T97 WeakPolarHBondContact CA-O 3.46Å; R34-T97 WeakPolarHBondContact CG-O 3.32Å; R34-H102 PolarHBondContact NH1-ND1 3.35Å; R34-D105 IonicContact CZ-OD1 2.62Å; R34-D105 IonicContact NH1-OD1 2.75Å; R34-D105 PolarHBondContact NH1-OD1 2.9Å; R34-D105 IonicContact NH1-OD2 3.51Å; R34-D105 IonicContact NH2-OD1 3.33Å | ||
| 35 | V | 87.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | trans | -112.2 | 135.6 | -179.2 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | H22 F23 I26 K33 H96 T97 | H22-V35 WeakPolarHBondContact CE1-CG1 3.31Å; H22-V35 WeakPolarHBondContact ND1-CG1 3.38Å; H22-V35 VanDerWaalsContact NE2-CG1 3.28Å; H22-V35 WeakPolarHBondContact NE2-CG1 3.47Å; F23-V35 HydrophobicContact CD2-CG2 4.15Å; I26-V35 HydrophobicContact CB-CG2 4.38Å; I26-V35 HydrophobicContact CD1-CB 4.14Å; I26-V35 HydrophobicContact CD1-CG1 3.5Å; I26-V35 VanDerWaalsContact CD1-CG1 3.5Å; I26-V35 HydrophobicContact CD1-CG2 3.52Å; I26-V35 HydrophobicContact CG2-CG2 4.43Å; K33-V35 WeakPolarHBondContact O-CG2 3.48Å; K33-V35 PolarHBondContact O-N 3.28Å; V35-H96 CarbonylContact O-C 3.35Å; V35-H96 WeakPolarHBondContact O-CA 3.5Å; V35-T97 WeakPolarHBondContact CA-OG1 3.49Å; V35-T97 HydrophobicContact CB-CG2 4.44Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 2.84Å; V35-T97 PolarHBondContact O-N 3.45Å; V35-T97 PolarHBondContact O-OG1 2.98Å | ||
| 36 | V | 91 | Very high | 80.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.4 | 177 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | V56 F58 L70 W94 Y95 H96 | V36-V56 PolarHBondContact O-N 2.93Å; V36-F58 HydrophobicContact CB-CB 3.89Å; V36-F58 HydrophobicContact CB-CD1 4.08Å; V36-F58 HydrophobicContact CB-CD2 4.07Å; V36-F58 HydrophobicContact CB-CG 3.74Å; V36-F58 HydrophobicContact CG2-CB 4.39Å; V36-F58 HydrophobicContact CG2-CD1 3.61Å; V36-F58 HydrophobicContact CG2-CD2 3.94Å; V36-F58 HydrophobicContact CG2-CE1 3.76Å; V36-F58 HydrophobicContact CG2-CE2 4.08Å; V36-F58 HydrophobicContact CG2-CG 3.7Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V36-L70 HydrophobicContact CG1-CD1 4.4Å; V36-W94 HydrophobicContact CG1-CE3 3.79Å; V36-W94 HydrophobicContact CG1-CZ3 4.2Å; V36-W94 HydrophobicContact CG2-CZ3 4.26Å; V36-Y95 WeakPolarHBondContact CA-O 3.49Å; V36-H96 HydrophobicContact CG2-CB 3.97Å |
| 37 | G | 92.3 | Very high | 81 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 170.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F54 W94 Y95 | G37-F54 CarbonylContact C-O 3.54Å; G37-F54 VanDerWaalsContact CA-O 3.28Å; G37-F54 WeakPolarHBondContact CA-O 3.34Å; G37-W94 CarbonylContact O-C 3.55Å; G37-W94 VanDerWaalsContact O-CA 3.26Å; G37-W94 WeakPolarHBondContact O-CA 3.38Å; G37-W94 VanDerWaalsContact O-CB 3.3Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; G37-Y95 VanDerWaalsContact C-CE1 3.43Å; G37-Y95 PolarHBondContact N-O 3.39Å; G37-Y95 WeakPolarHBondContact O-CD1 3.42Å; G37-Y95 PolarHBondContact O-N 2.9Å |
| 38 | V | 93.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.2 | -177 | 176.8 | 0 | 0 | 0 | 0 | 109 | L40 S53 F54 V56 L75 I91 M112 | V38-L40 HydrophobicContact CG1-CD2 4.48Å; V38-S53 VanDerWaalsContact O-CA 3.31Å; V38-S53 WeakPolarHBondContact O-CA 3.34Å; V38-F54 HydrophobicContact CB-CD1 4.37Å; V38-F54 HydrophobicContact CB-CE1 3.82Å; V38-F54 HydrophobicContact CB-CE2 4.11Å; V38-F54 HydrophobicContact CB-CZ 3.68Å; V38-F54 HydrophobicContact CG1-CE1 3.88Å; V38-F54 HydrophobicContact CG1-CZ 3.94Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CZ 4.07Å; V38-F54 PolarHBondContact N-O 3.43Å; V38-F54 PolarHBondContact O-N 3.49Å; V38-F54 VanDerWaalsContact O-N 3.1Å; V38-V56 HydrophobicContact CG2-CG2 3.64Å; V38-L75 HydrophobicContact CG2-CD1 3.61Å; V38-L75 HydrophobicContact CG2-CG 4.03Å; V38-I91 HydrophobicContact CG1-CB 4.41Å; V38-I91 HydrophobicContact CG1-CD1 4.49Å; V38-I91 HydrophobicContact CG1-CG1 4.02Å; V38-I91 HydrophobicContact CG1-CG2 3.69Å; V38-M112 HydrophobicContact CG2-CE 3.63Å |
| 39 | L | 93.7 | Very high | 82.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.6 | 174.3 | -65.6 | 176.6 | 0 | 0 | 0 | 110 | V15 V50 V92 G93 Y95 V122 | V15-L39 HydrophobicContact CG1-CD2 3.95Å; L39-V50 HydrophobicContact CB-CG1 4.08Å; L39-V50 HydrophobicContact CD1-CG1 4.32Å; L39-V50 HydrophobicContact CD2-CG1 3.77Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L39-V92 HydrophobicContact CB-CG2 3.94Å; L39-V92 WeakPolarHBondContact O-CG2 3.32Å; L39-V92 PolarHBondContact O-N 2.89Å; L39-G93 PolarHBondContact N-O 2.91Å; L39-Y95 HydrophobicContact CD2-CD1 3.43Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L39-Y95 HydrophobicContact CD2-CE1 4.31Å; L39-Y95 HydrophobicContact CD2-CG 4.07Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.48Å; L39-V122 HydrophobicContact CD1-CB 3.82Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å |
| 40 | L | 92.8 | Very high | 84 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.8 | 173.9 | -63 | 179.7 | 0 | 0 | 0 | 109.3 | V38 S51 N52 F54 Y79 F82 R90 I91 | V38-L40 HydrophobicContact CG1-CD2 4.48Å; L40-S51 PolarHBondContact O-N 2.9Å; L40-S51 VanDerWaalsContact O-N 3.16Å; L40-N52 CarbonylContact C-O 3.54Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.21Å; L40-N52 PolarHBondContact N-O 2.96Å; L40-N52 PolarHBondContact O-N 2.97Å; L40-N52 VanDerWaalsContact O-N 3.07Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.85Å; L40-F54 HydrophobicContact CD2-CE1 4.04Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.94Å; L40-Y79 HydrophobicContact CD2-CD2 4.12Å; L40-Y79 HydrophobicContact CD2-CE2 4.41Å; L40-F82 HydrophobicContact CD1-CB 3.91Å; L40-F82 HydrophobicContact CD1-CD1 3.99Å; L40-F82 HydrophobicContact CD1-CD2 3.92Å; L40-F82 HydrophobicContact CD1-CE2 4.47Å; L40-F82 HydrophobicContact CD1-CG 3.67Å; L40-R90 CarbonylContact C-O 3.57Å; L40-R90 WeakPolarHBondContact CA-O 3.21Å; L40-I91 HydrophobicContact CD2-CB 4.43Å; L40-I91 HydrophobicContact CD2-CG1 3.77Å |
| 41 | G | 91.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -169 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D49 R90 | G41-D49 CarbonylContact C-O 3.58Å; G41-D49 WeakPolarHBondContact CA-O 3.07Å; G41-R90 PolarHBondContact N-O 3.5Å; G41-R90 PolarHBondContact O-N 3.42Å |
| 42 | S | 88.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.2 | 175.9 | 76.3 | 0 | 0 | 0 | 0 | 109.9 | D49 | S42-D49 PolarHBondContact N-O 3.36Å; S42-D49 PolarHBondContact O-N 3.4Å; S42-D49 VanDerWaalsContact O-N 3.1Å |
| 43 | W | 85.2 | Confident | 88.5 | Confident | 95 Ų | 95 | 36 Ų | 36 | 36% | 0.36 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.6 | 177.7 | -170.2 | -83.2 | 0 | 0 | 0 | 110 | A5 V6 K45 L48 N118 | A5-W43 VanDerWaalsContact C-CZ2 3.46Å; A5-W43 HydrophobicContact CB-CH2 3.94Å; A5-W43 HydrophobicContact CB-CZ2 4.03Å; A5-W43 WeakPolarHBondContact O-CZ2 3.47Å; V6-W43 HydrophobicContact CB-CH2 4.02Å; V6-W43 HydrophobicContact CB-CZ3 4.5Å; V6-W43 HydrophobicContact CG2-CH2 3.18Å; V6-W43 HydrophobicContact CG2-CZ2 4.3Å; V6-W43 HydrophobicContact CG2-CZ3 3.46Å; V6-W43 VanDerWaalsContact CG2-CZ3 3.46Å; W43-K45 PolarHBondContact NE1-O 2.96Å; W43-L48 HydrophobicContact CE3-CB 4.28Å; W43-L48 HydrophobicContact CE3-CD1 3.87Å; W43-L48 HydrophobicContact CZ3-CB 4.36Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; W43-N118 HydrophobicContact CH2-CB 4.29Å; W43-N118 HydrophobicContact CZ3-CB 4.28Å |
| 44 | Q | 80.1 | Confident | 89.3 | Confident | 116 Ų | 116 | 34.8 Ų | 34.8 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 96.6 | 175.9 | -62 | -165.1 | 24.1 | 0 | 0 | 110 | K46 V47 D49 | Q44-K46 PolarHBondContact O-N 3.4Å; Q44-V47 PolarHBondContact N-O 3.01Å; Q44-V47 PolarHBondContact O-N 3.24Å; Q44-D49 VanDerWaalsContact CD-OD2 3.25Å; Q44-D49 WeakPolarHBondContact CG-OD2 3.28Å; Q44-D49 PolarHBondContact NE2-OD2 3.12Å |
| 45 | K | 80.6 | Confident | 89.7 | Confident | 195 Ų | 195 | 35 Ų | 35 | 85% | 0.848 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -84.2 | 179.4 | -59.8 | 176.4 | 179.9 | 174.9 | 0 | 114.3 | W43 | W43-K45 PolarHBondContact NE1-O 2.96Š|
| 46 | K | 83.6 | Confident | 89.8 | Confident | 99 Ų | 99 | 34.9 Ų | 34.9 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 1.6 | -178.8 | -65.1 | -166.5 | 175 | -164.7 | 0 | 112.7 | Q7 K8 Q44 | Q7-K46 HydrophobicContact CB-CB 4.24Å; Q7-K46 PolarHBondContact N-O 2.8Å; K8-K46 PolarHBondContact N-O 3.45Å; Q44-K46 PolarHBondContact O-N 3.4Å |
| 47 | V | 88.8 | Confident | 89.7 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.1 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | K8 V10 Q44 | K8-V47 HydrophobicContact CB-CG1 4.41Å; K8-V47 HydrophobicContact CB-CG2 4.37Å; K8-V47 WeakPolarHBondContact O-CA 3.38Å; V10-V47 HydrophobicContact CG2-CG1 3.56Å; Q44-V47 PolarHBondContact N-O 3.01Å; Q44-V47 PolarHBondContact O-N 3.24Å |
| 48 | L | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.6 | 173.7 | 173.4 | 62.7 | 0 | 0 | 0 | 108.7 | V6 K8 V9 V10 W43 V50 V92 V120 | V6-L48 HydrophobicContact CG1-CB 4.02Å; K8-L48 PolarHBondContact O-N 2.67Å; V9-L48 HydrophobicContact CG1-CD2 4.27Å; V9-L48 HydrophobicContact CG2-CB 4.38Å; V9-L48 HydrophobicContact CG2-CD2 4.32Å; V10-L48 PolarHBondContact N-O 2.99Å; W43-L48 HydrophobicContact CE3-CB 4.28Å; W43-L48 HydrophobicContact CE3-CD1 3.87Å; W43-L48 HydrophobicContact CZ3-CB 4.36Å; W43-L48 HydrophobicContact CZ3-CD1 4.4Å; L48-V50 HydrophobicContact CD2-CG2 4.25Å; L48-V50 HydrophobicContact CG-CG2 4.08Å; L48-V92 HydrophobicContact CD1-CB 3.46Å; L48-V92 VanDerWaalsContact CD1-CB 3.46Å; L48-V92 HydrophobicContact CD1-CG1 3.52Å; L48-V92 HydrophobicContact CD1-CG2 3.91Å; L48-V92 HydrophobicContact CD2-CB 4.28Å; L48-V92 HydrophobicContact CD2-CG2 4.43Å; L48-V92 HydrophobicContact CG-CB 4.45Å; L48-V120 HydrophobicContact CD2-CB 3.86Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.59Å |
| 49 | D | 91.4 | Very high | 89.1 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.5 | 176.4 | -63.1 | -38.1 | 0 | 0 | 0 | 109.2 | G41 S42 Q44 | G41-D49 CarbonylContact C-O 3.58Å; G41-D49 WeakPolarHBondContact CA-O 3.07Å; S42-D49 PolarHBondContact N-O 3.36Å; S42-D49 PolarHBondContact O-N 3.4Å; S42-D49 VanDerWaalsContact O-N 3.1Å; Q44-D49 VanDerWaalsContact CD-OD2 3.25Å; Q44-D49 WeakPolarHBondContact CG-OD2 3.28Å; Q44-D49 PolarHBondContact NE2-OD2 3.12Å |
| 50 | V | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 101.2 | -179.5 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | V9 V10 H12 V15 L39 L48 | V9-V50 HydrophobicContact CG1-CG2 3.95Å; V10-V50 PolarHBondContact O-N 3.11Å; H12-V50 WeakPolarHBondContact CB-O 3.46Å; H12-V50 PolarHBondContact CD2-O 3Å; H12-V50 PolarHBondContact N-O 2.94Å; H12-V50 VanDerWaalsContact N-O 3.09Å; V15-V50 HydrophobicContact CG1-CG1 4.44Å; V15-V50 HydrophobicContact CG2-CG1 4.08Å; L39-V50 HydrophobicContact CB-CG1 4.08Å; L39-V50 HydrophobicContact CD1-CG1 4.32Å; L39-V50 HydrophobicContact CD2-CG1 3.77Å; L39-V50 HydrophobicContact CG-CG1 4.28Å; L48-V50 HydrophobicContact CD2-CG2 4.25Å; L48-V50 HydrophobicContact CG-CG2 4.08Å |
| 51 | S | 90.3 | Very high | 88 | Confident | 31 Ų | 31 | 48 Ų | 48 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -37.6 | -174 | -48.4 | 0 | 0 | 0 | 0 | 112.6 | L40 | L40-S51 PolarHBondContact O-N 2.9Å; L40-S51 VanDerWaalsContact O-N 3.16Å |
| 52 | N | 92.3 | Very high | 87.2 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 163.9 | -172.3 | -157.8 | -0.5 | 0 | 0 | 0 | 111.4 | L40 | L40-N52 CarbonylContact C-O 3.54Å; L40-N52 WeakPolarHBondContact CA-O 3.29Å; L40-N52 HydrophobicContact CB-CB 4.21Å; L40-N52 PolarHBondContact N-O 2.96Å; L40-N52 PolarHBondContact O-N 2.97Å; L40-N52 VanDerWaalsContact O-N 3.07Å |
| 53 | S | 93.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 146.4 | 179.8 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | S18 V38 | S18-S53 PolarHBondContact OG-O 2.61Å; V38-S53 VanDerWaalsContact O-CA 3.31Å; V38-S53 WeakPolarHBondContact O-CA 3.34Å |
| 54 | F | 92.8 | Very high | 86.3 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.9 | 172.7 | 65.7 | -87.6 | 0 | 0 | 0 | 111.6 | G37 V38 L40 V56 Y74 M78 F82 | G37-F54 CarbonylContact C-O 3.54Å; G37-F54 VanDerWaalsContact CA-O 3.28Å; G37-F54 WeakPolarHBondContact CA-O 3.34Å; V38-F54 HydrophobicContact CB-CD1 4.37Å; V38-F54 HydrophobicContact CB-CE1 3.82Å; V38-F54 HydrophobicContact CB-CE2 4.11Å; V38-F54 HydrophobicContact CB-CZ 3.68Å; V38-F54 HydrophobicContact CG1-CE1 3.88Å; V38-F54 HydrophobicContact CG1-CZ 3.94Å; V38-F54 HydrophobicContact CG2-CE2 4.26Å; V38-F54 HydrophobicContact CG2-CZ 4.07Å; V38-F54 PolarHBondContact N-O 3.43Å; V38-F54 PolarHBondContact O-N 3.49Å; V38-F54 VanDerWaalsContact O-N 3.1Å; L40-F54 HydrophobicContact CD1-CD1 3.76Å; L40-F54 HydrophobicContact CD1-CE1 3.85Å; L40-F54 HydrophobicContact CD2-CE1 4.04Å; L40-F54 HydrophobicContact CG-CD1 4.06Å; L40-F54 HydrophobicContact CG-CE1 3.94Å; F54-V56 HydrophobicContact CD2-CG2 4.18Å; F54-V56 HydrophobicContact CE2-CG2 3.8Å; F54-Y74 HydrophobicContact CD2-CE1 4.45Å; F54-M78 HydrophobicContact CD2-CB 4.18Å; F54-M78 HydrophobicContact CE2-CB 3.79Å; F54-M78 HydrophobicContact CE2-CG 4.45Å; F54-M78 HydrophobicContact CZ-CB 4.15Å; F54-F82 HydrophobicContact CB-CE2 3.94Å; F54-F82 HydrophobicContact CB-CZ 4.26Å; F54-F82 AromaticContact CD1-CD2 3.94Å; F54-F82 HydrophobicContact CD1-CD2 3.94Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CZ 4.49Å; F54-F82 HydrophobicContact CE1-CD2 4.22Å; F54-F82 HydrophobicContact CE1-CE2 4.39Å; F54-F82 AromaticContact CG-CE2 3.89Å; F54-F82 HydrophobicContact CG-CE2 3.89Å |
| 55 | A | 91 | Very high | 85.9 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H22 Y74 | H22-A55 WeakPolarHBondContact CE1-CA 3.34Å; H22-A55 WeakPolarHBondContact CE1-CB 3.38Å; H22-A55 VanDerWaalsContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact ND1-CB 3.34Å; H22-A55 WeakPolarHBondContact NE2-CB 3.32Å; A55-Y74 WeakPolarHBondContact O-CE1 3.36Å |
| 56 | V | 90.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | trans | -117.3 | 135.5 | 165.2 | 178.4 | 0 | 0 | 0 | 0 | 108 | V36 V38 F54 F58 L70 Y74 | V36-V56 PolarHBondContact O-N 2.93Å; V38-V56 HydrophobicContact CG2-CG2 3.64Å; F54-V56 HydrophobicContact CD2-CG2 4.18Å; F54-V56 HydrophobicContact CE2-CG2 3.8Å; V56-F58 PolarHBondContact O-N 3.39Å; V56-L70 HydrophobicContact CG1-CD2 4.14Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; V56-Y74 HydrophobicContact CG1-CD1 4.48Å; V56-Y74 HydrophobicContact CG2-CD1 4.47Å | ||
| 57 | P | 88.6 | Confident | 85.8 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | trans | -54.7 | 116 | 171.4 | -24.8 | 34.9 | 0 | 0 | 0 | 110 | ||||
| 58 | F | 87.5 | Confident | 85.7 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.2 | -177.3 | 175.9 | -97.1 | 0 | 0 | 0 | 108.6 | V36 V56 E60 W68 F69 L70 I108 | V36-F58 HydrophobicContact CB-CB 3.89Å; V36-F58 HydrophobicContact CB-CD1 4.08Å; V36-F58 HydrophobicContact CB-CD2 4.07Å; V36-F58 HydrophobicContact CB-CG 3.74Å; V36-F58 HydrophobicContact CG2-CB 4.39Å; V36-F58 HydrophobicContact CG2-CD1 3.61Å; V36-F58 HydrophobicContact CG2-CD2 3.94Å; V36-F58 HydrophobicContact CG2-CE1 3.76Å; V36-F58 HydrophobicContact CG2-CE2 4.08Å; V36-F58 HydrophobicContact CG2-CG 3.7Å; V36-F58 HydrophobicContact CG2-CZ 4Å; V56-F58 PolarHBondContact O-N 3.39Å; F58-E60 HydrophobicContact CE1-CB 3.76Å; F58-E60 HydrophobicContact CZ-CB 4.03Å; F58-W68 HydrophobicContact CE2-CB 3.86Å; F58-W68 HydrophobicContact CE2-CD2 4.42Å; F58-W68 HydrophobicContact CE2-CE3 4.05Å; F58-W68 HydrophobicContact CE2-CG 4.39Å; F58-W68 HydrophobicContact CZ-CB 3.96Å; F58-F69 WeakPolarHBondContact CA-O 3.4Å; F58-F69 VanDerWaalsContact CD2-O 3.26Å; F58-F69 WeakPolarHBondContact CD2-O 3.48Å; F58-L70 HydrophobicContact CD2-CB 4.44Å; F58-I108 HydrophobicContact CE2-CD1 3.77Å; F58-I108 HydrophobicContact CE2-CG1 4.49Å; F58-I108 HydrophobicContact CZ-CD1 3.85Å |
| 59 | D | 85.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.1 | 175.4 | -79.3 | -48.5 | 0 | 0 | 0 | 109.2 | W68 F69 | D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.34Å; D59-F69 PolarHBondContact N-O 3.21Å; D59-F69 PolarHBondContact O-N 2.95Å |
| 60 | E | 81.7 | Confident | 85.4 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.9 | 176.5 | -176.2 | 166.8 | -144.6 | 0 | 0 | 108 | K33 R34 F58 N104 | K33-E60 PolarHBondContact NZ-O 3.41Å; R34-E60 IonicContact CZ-OE1 3.45Å; R34-E60 IonicContact CZ-OE2 3.2Å; R34-E60 IonicContact NE-OE2 2.83Å; R34-E60 PolarHBondContact NE-OE2 3.46Å; R34-E60 IonicContact NH2-OE1 2.72Å; R34-E60 PolarHBondContact NH2-OE1 2.92Å; R34-E60 IonicContact NH2-OE2 3.92Å; R34-E60 PolarHBondContact NH2-OE2 3.35Å; F58-E60 HydrophobicContact CE1-CB 3.76Å; F58-E60 HydrophobicContact CZ-CB 4.03Å; E60-N104 PolarHBondContact OE1-ND2 3.4Å |
| 61 | D | 82.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | trans | -74.1 | 138.3 | 172.5 | -164.6 | -5.9 | 0 | 0 | 0 | 109.7 | K63 V67 | D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.35Å; D61-K63 PolarHBondContact OD1-N 3.39Å; D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 3.28Å | ||
| 62 | D | 75.1 | Confident | 85.1 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -77.3 | -16.2 | 179.8 | -59.7 | -59.7 | 0 | 0 | 0 | 112.1 | K33 | K33-D62 VanDerWaalsContact CE-CG 3.44Å; K33-D62 WeakPolarHBondContact CE-OD1 3.32Å; K33-D62 WeakPolarHBondContact CE-OD2 3.33Å; K33-D62 IonicContact NZ-OD1 3.12Å; K33-D62 PolarHBondContact NZ-OD1 2.98Å; K33-D62 IonicContact NZ-OD2 2.84Å; K33-D62 PolarHBondContact NZ-OD2 3.48Å |
| 63 | K | 77.9 | Confident | 84.9 | Confident | 184 Ų | 184 | 67.4 Ų | 67.4 | 80% | 0.8 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -98 | -39.5 | -177.5 | -66.5 | -179.9 | -177.6 | 174.9 | 0 | 112.9 | D61 | D61-K63 VanDerWaalsContact C-N 3.25Å; D61-K63 PolarHBondContact O-N 3.35Å; D61-K63 PolarHBondContact OD1-N 3.39Å |
| 64 | D | 76.7 | Confident | 84.8 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | trans | -121.6 | 97.5 | -178.7 | -80.7 | -40.1 | 0 | 0 | 0 | 110.1 | S66 V67 | D64-S66 PolarHBondContact O-N 3.23Å; D64-V67 HydrophobicContact CB-CG2 4.16Å; D64-V67 PolarHBondContact O-N 3.08Å | ||
| 65 | D | 71.9 | Confident | 84.6 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -34.4 | 174.7 | -77.7 | 7.6 | 0 | 0 | 0 | 112.1 | V67 N104 | D65-V67 PolarHBondContact O-N 2.97Å; D65-N104 VanDerWaalsContact C-CG 3.46Å; D65-N104 VanDerWaalsContact C-ND2 3.27Å; D65-N104 VanDerWaalsContact C-OD1 3.24Å; D65-N104 WeakPolarHBondContact CA-ND2 3.43Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.39Å; D65-N104 PolarHBondContact O-ND2 3.07Å; D65-N104 PolarHBondContact O-OD1 3.19Å |
| 66 | S | 76.9 | Confident | 84.5 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 73% | 0.727 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13 | -176.9 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | D64 | D64-S66 PolarHBondContact O-N 3.23Š|
| 67 | V | 84.4 | Confident | 84.6 | Confident | 89 Ų | 89 | 80 Ų | 80 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | trans | -101.9 | 104.5 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | D61 D64 D65 | D61-V67 HydrophobicContact CB-CB 4.42Å; D61-V67 PolarHBondContact N-O 3.28Å; D64-V67 HydrophobicContact CB-CG2 4.16Å; D64-V67 PolarHBondContact O-N 3.08Å; D65-V67 PolarHBondContact O-N 2.97Å | ||
| 68 | W | 87.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.7 | 175.4 | 58.2 | -89 | 0 | 0 | 0 | 110.6 | F58 D59 L70 A107 I108 L111 | F58-W68 HydrophobicContact CE2-CB 3.86Å; F58-W68 HydrophobicContact CE2-CD2 4.42Å; F58-W68 HydrophobicContact CE2-CE3 4.05Å; F58-W68 HydrophobicContact CE2-CG 4.39Å; F58-W68 HydrophobicContact CZ-CB 3.96Å; D59-W68 CarbonylContact O-C 3.55Å; D59-W68 WeakPolarHBondContact O-CA 3.34Å; W68-L70 HydrophobicContact CE3-CB 4.02Å; W68-L70 HydrophobicContact CZ3-CB 3.67Å; W68-L70 HydrophobicContact CZ3-CD1 4.5Å; W68-A107 HydrophobicContact CZ2-CB 3.99Å; W68-I108 HydrophobicContact CD2-CD1 4.47Å; W68-I108 HydrophobicContact CD2-CG1 3.85Å; W68-I108 HydrophobicContact CE3-CG1 4.02Å; W68-I108 HydrophobicContact CG-CG1 4.45Å; W68-I108 HydrophobicContact CH2-CG1 4.03Å; W68-I108 HydrophobicContact CZ2-CG1 3.89Å; W68-I108 HydrophobicContact CZ3-CG1 4.1Å; W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.76Å; W68-L111 HydrophobicContact CZ3-CD1 4.31Å |
| 69 | F | 87.9 | Confident | 84.7 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.8 | 178.5 | 178.6 | -99.5 | 0 | 0 | 0 | 109.8 | F58 D59 D71 | F58-F69 WeakPolarHBondContact CA-O 3.4Å; F58-F69 VanDerWaalsContact CD2-O 3.26Å; F58-F69 WeakPolarHBondContact CD2-O 3.48Å; D59-F69 PolarHBondContact N-O 3.21Å; D59-F69 PolarHBondContact O-N 2.95Å; F69-D71 HydrophobicContact CE1-CB 4.2Å; F69-D71 HydrophobicContact CZ-CB 4.44Å |
| 70 | L | 87.1 | Confident | 85 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126.8 | 173.2 | -170 | 151.8 | 0 | 0 | 0 | 108.7 | V36 V56 F58 W68 H72 I108 L111 M112 | V36-L70 HydrophobicContact CG1-CD1 4.4Å; V56-L70 HydrophobicContact CG1-CD2 4.14Å; V56-L70 HydrophobicContact CG1-CG 4.08Å; F58-L70 HydrophobicContact CD2-CB 4.44Å; W68-L70 HydrophobicContact CE3-CB 4.02Å; W68-L70 HydrophobicContact CZ3-CB 3.67Å; W68-L70 HydrophobicContact CZ3-CD1 4.5Å; L70-H72 WeakPolarHBondContact CD2-ND1 3.27Å; L70-H72 PolarHBondContact O-N 3.45Å; L70-I108 HydrophobicContact CD1-CG2 4.44Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å; L70-M112 HydrophobicContact CD1-CE 3.95Å |
| 71 | D | 90.3 | Very high | 85.4 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | trans | -79.9 | 106.4 | 179.4 | -169.8 | -20.3 | 0 | 0 | 0 | 111.7 | F69 D73 Y74 L75 | F69-D71 HydrophobicContact CE1-CB 4.2Å; F69-D71 HydrophobicContact CZ-CB 4.44Å; D71-D73 PolarHBondContact OD1-N 3.42Å; D71-Y74 VanDerWaalsContact CG-CB 3.49Å; D71-Y74 PolarHBondContact OD1-N 3.31Å; D71-L75 PolarHBondContact O-N 2.9Å | ||
| 72 | H | 85.2 | Confident | 85.7 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 29% | 0.292 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.7 | -33.9 | 176.9 | -60.5 | -39.7 | 0 | 0 | 0 | 113.5 | L70 Y74 L75 E76 L111 | L70-H72 WeakPolarHBondContact CD2-ND1 3.27Å; L70-H72 PolarHBondContact O-N 3.45Å; H72-Y74 VanDerWaalsContact C-N 3.32Å; H72-L75 WeakPolarHBondContact O-CB 3.41Å; H72-L75 PolarHBondContact O-N 2.93Å; H72-E76 PolarHBondContact O-N 3.43Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.41Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.3Å; H72-L111 VanDerWaalsContact NE2-CD1 3.27Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.49Å |
| 73 | D | 89.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 79.4 Ų | 79.4 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.9 | -39.5 | -177.9 | -70.2 | -8.3 | 0 | 0 | 0 | 109.3 | D71 N77 | D71-D73 PolarHBondContact OD1-N 3.42Å; D73-N77 WeakPolarHBondContact O-CB 3.47Å; D73-N77 VanDerWaalsContact O-CG 3.32Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 PolarHBondContact O-ND2 3.23Å |
| 74 | Y | 90.6 | Very high | 87.1 | Confident | 87 Ų | 87 | 79.2 Ų | 79.2 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 172.3 | -173.4 | -97.1 | 0 | 0 | 0 | 111.9 | F54 A55 V56 D71 H72 E76 N77 M78 | F54-Y74 HydrophobicContact CD2-CE1 4.45Å; A55-Y74 WeakPolarHBondContact O-CE1 3.36Å; V56-Y74 HydrophobicContact CG1-CD1 4.48Å; V56-Y74 HydrophobicContact CG2-CD1 4.47Å; D71-Y74 VanDerWaalsContact CG-CB 3.49Å; D71-Y74 PolarHBondContact OD1-N 3.31Å; H72-Y74 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 3.25Å; Y74-N77 PolarHBondContact O-N 2.9Å; Y74-M78 HydrophobicContact CD1-CG 3.91Å; Y74-M78 HydrophobicContact CD2-CG 4.25Å; Y74-M78 HydrophobicContact CE1-CB 4.45Å; Y74-M78 HydrophobicContact CE1-CG 3.44Å; Y74-M78 VanDerWaalsContact CE1-CG 3.44Å; Y74-M78 HydrophobicContact CE1-SD 4.49Å; Y74-M78 HydrophobicContact CE2-CE 4.43Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.29Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 WeakPolarHBondContact O-CG 3.42Å; Y74-M78 PolarHBondContact O-N 3.29Å |
| 75 | L | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 179.1 | -174.8 | 161 | 0 | 0 | 0 | 111.5 | V38 D71 H72 Y79 I91 M112 Y115 | V38-L75 HydrophobicContact CG2-CD1 3.61Å; V38-L75 HydrophobicContact CG2-CG 4.03Å; D71-L75 PolarHBondContact O-N 2.9Å; H72-L75 WeakPolarHBondContact O-CB 3.41Å; H72-L75 PolarHBondContact O-N 2.93Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.42Å; L75-I91 HydrophobicContact CD2-CD1 3.79Å; L75-M112 HydrophobicContact CD1-CE 3.98Å; L75-M112 HydrophobicContact CD1-SD 3.89Å; L75-Y115 HydrophobicContact CD1-CE2 4.49Å; L75-Y115 HydrophobicContact CD2-CD1 4.14Å; L75-Y115 HydrophobicContact CD2-CE1 3.99Å; L75-Y115 HydrophobicContact CD2-CE2 4.45Å; L75-Y115 HydrophobicContact CD2-CG 4.43Å |
| 76 | E | 89 | Confident | 88.5 | Confident | 126 Ų | 126 | 79.4 Ų | 79.4 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | -178.2 | -171.7 | 167.2 | -169.4 | 0 | 0 | 112.1 | H72 Y74 G80 | H72-E76 PolarHBondContact O-N 3.43Å; Y74-E76 PolarHBondContact O-N 3.25Å; E76-G80 PolarHBondContact O-N 3.16Å |
| 77 | N | 91.9 | Very high | 89 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 177.1 | -76.5 | -51.2 | 0 | 0 | 0 | 112 | D73 Y74 G80 M81 | D73-N77 WeakPolarHBondContact O-CB 3.47Å; D73-N77 VanDerWaalsContact O-CG 3.32Å; D73-N77 PolarHBondContact O-N 2.97Å; D73-N77 PolarHBondContact O-ND2 3.23Å; Y74-N77 PolarHBondContact O-N 2.9Å; N77-G80 PolarHBondContact O-N 3.44Å; N77-M81 WeakPolarHBondContact O-CG 3.27Å; N77-M81 PolarHBondContact O-N 2.91Å; N77-M81 VanDerWaalsContact O-N 3.1Å |
| 78 | M | 89.4 | Confident | 89.1 | Confident | 37 Ų | 37 | 83.8 Ų | 83.8 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 177.5 | -74.2 | -61.3 | 99.8 | 0 | 0 | 111.7 | F54 Y74 G80 M81 F82 | F54-M78 HydrophobicContact CD2-CB 4.18Å; F54-M78 HydrophobicContact CE2-CB 3.79Å; F54-M78 HydrophobicContact CE2-CG 4.45Å; F54-M78 HydrophobicContact CZ-CB 4.15Å; Y74-M78 HydrophobicContact CD1-CG 3.91Å; Y74-M78 HydrophobicContact CD2-CG 4.25Å; Y74-M78 HydrophobicContact CE1-CB 4.45Å; Y74-M78 HydrophobicContact CE1-CG 3.44Å; Y74-M78 VanDerWaalsContact CE1-CG 3.44Å; Y74-M78 HydrophobicContact CE1-SD 4.49Å; Y74-M78 HydrophobicContact CE2-CE 4.43Å; Y74-M78 HydrophobicContact CE2-CG 3.81Å; Y74-M78 HydrophobicContact CE2-SD 4.22Å; Y74-M78 HydrophobicContact CG-CG 4.29Å; Y74-M78 WeakPolarHBondContact O-CB 3.3Å; Y74-M78 WeakPolarHBondContact O-CG 3.42Å; Y74-M78 PolarHBondContact O-N 3.29Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.92Å; M78-M81 HydrophobicContact CE-CE 3.68Å; M78-M81 HydrophobicContact CE-CG 4.46Å; M78-M81 HydrophobicContact CE-SD 3.46Å; M78-M81 WeakPolarHBondContact CE-SD 3.47Å; M78-M81 WeakPolarHBondContact O-CB 3.5Å; M78-M81 PolarHBondContact O-N 3.47Å; M78-M81 HydrophobicContact SD-SD 4.48Å; M78-F82 VanDerWaalsContact O-CD2 3.3Å; M78-F82 WeakPolarHBondContact O-CD2 3.5Å; M78-F82 PolarHBondContact O-N 2.99Å |
| 79 | Y | 89.9 | Confident | 89 | Confident | 44 Ų | 44 | 82.2 Ų | 82.2 | 17% | 0.173 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 174.9 | 177.7 | -118.8 | 0 | 0 | 0 | 111.5 | L40 L75 M81 F82 K83 I91 | L40-Y79 HydrophobicContact CD2-CD2 4.12Å; L40-Y79 HydrophobicContact CD2-CE2 4.41Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.42Å; Y79-M81 VanDerWaalsContact C-N 3.27Å; Y79-M81 PolarHBondContact O-N 2.97Å; Y79-F82 PolarHBondContact O-N 3.38Å; Y79-K83 HydrophobicContact CE1-CD 4.08Å; Y79-K83 VanDerWaalsContact O-CB 3.26Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.89Å; Y79-I91 HydrophobicContact CD1-CD1 4.09Å; Y79-I91 HydrophobicContact CD2-CD1 3.82Å; Y79-I91 HydrophobicContact CD2-CG1 3.59Å; Y79-I91 HydrophobicContact CE2-CD1 4.28Å; Y79-I91 HydrophobicContact CE2-CG1 3.82Å; Y79-I91 HydrophobicContact CG-CD1 3.73Å; Y79-I91 HydrophobicContact CG-CG1 4.06Å |
| 80 | G | 91 | Very high | 89.1 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E76 N77 M78 K84 | E76-G80 PolarHBondContact O-N 3.16Å; N77-G80 PolarHBondContact O-N 3.44Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.92Å; G80-K84 VanDerWaalsContact O-CG 3.29Å; G80-K84 WeakPolarHBondContact O-CG 3.41Å; G80-K84 PolarHBondContact O-N 2.99Å |
| 81 | M | 90.4 | Very high | 89.3 | Confident | 107 Ų | 107 | 85 Ų | 85 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.3 | -48 | 174.2 | -65.3 | -173.4 | -169.8 | 0 | 0 | 112.1 | N77 M78 Y79 K83 K84 V85 | N77-M81 WeakPolarHBondContact O-CG 3.27Å; N77-M81 PolarHBondContact O-N 2.91Å; N77-M81 VanDerWaalsContact O-N 3.1Å; M78-M81 HydrophobicContact CE-CE 3.68Å; M78-M81 HydrophobicContact CE-CG 4.46Å; M78-M81 HydrophobicContact CE-SD 3.46Å; M78-M81 WeakPolarHBondContact CE-SD 3.47Å; M78-M81 WeakPolarHBondContact O-CB 3.5Å; M78-M81 PolarHBondContact O-N 3.47Å; M78-M81 HydrophobicContact SD-SD 4.48Å; Y79-M81 VanDerWaalsContact C-N 3.27Å; Y79-M81 PolarHBondContact O-N 2.97Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.42Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.29Å; M81-V85 PolarHBondContact O-N 3.33Å |
| 82 | F | 89.3 | Confident | 89.3 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.8 | -82.3 | -72.2 | 0 | 0 | 0 | 112 | L40 F54 M78 Y79 K84 V85 N86 | L40-F82 HydrophobicContact CD1-CB 3.91Å; L40-F82 HydrophobicContact CD1-CD1 3.99Å; L40-F82 HydrophobicContact CD1-CD2 3.92Å; L40-F82 HydrophobicContact CD1-CE2 4.47Å; L40-F82 HydrophobicContact CD1-CG 3.67Å; F54-F82 HydrophobicContact CB-CE2 3.94Å; F54-F82 HydrophobicContact CB-CZ 4.26Å; F54-F82 AromaticContact CD1-CD2 3.94Å; F54-F82 HydrophobicContact CD1-CD2 3.94Å; F54-F82 AromaticContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CE2 3.7Å; F54-F82 HydrophobicContact CD1-CZ 4.49Å; F54-F82 HydrophobicContact CE1-CD2 4.22Å; F54-F82 HydrophobicContact CE1-CE2 4.39Å; F54-F82 AromaticContact CG-CE2 3.89Å; F54-F82 HydrophobicContact CG-CE2 3.89Å; M78-F82 VanDerWaalsContact O-CD2 3.3Å; M78-F82 WeakPolarHBondContact O-CD2 3.5Å; M78-F82 PolarHBondContact O-N 2.99Å; Y79-F82 PolarHBondContact O-N 3.38Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.41Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-V85 VanDerWaalsContact O-N 3.12Å; F82-N86 PolarHBondContact O-N 3.35Å |
| 83 | K | 89.9 | Confident | 89.7 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 47% | 0.47 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -27.8 | 176.6 | -167 | 171.5 | -171.5 | 168.2 | 0 | 113.5 | Y79 M81 | Y79-K83 HydrophobicContact CE1-CD 4.08Å; Y79-K83 VanDerWaalsContact O-CB 3.26Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 2.89Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.42Å |
| 84 | K | 91.6 | Very high | 89.9 | Confident | 181 Ų | 181 | 74.8 Ų | 74.8 | 79% | 0.787 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.7 | -33.8 | 173.3 | -73.7 | 169.8 | -174.4 | 176.9 | 0 | 112.1 | G80 M81 F82 | G80-K84 VanDerWaalsContact O-CG 3.29Å; G80-K84 WeakPolarHBondContact O-CG 3.41Å; G80-K84 PolarHBondContact O-N 2.99Å; M81-K84 WeakPolarHBondContact O-CB 3.42Å; M81-K84 PolarHBondContact O-N 3.29Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.41Å |
| 85 | V | 91.9 | Very high | 90 | Very high | 129 Ų | 129 | 70.7 Ų | 70.7 | 78% | 0.782 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.2 | -46.6 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | M81 F82 | M81-V85 PolarHBondContact O-N 3.33Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-V85 VanDerWaalsContact O-N 3.12Å |
| 86 | N | 86.8 | Confident | 90.1 | Very high | 55 Ų | 55 | 70.7 Ų | 70.7 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | trans | -136 | 108.6 | -179.8 | -169.4 | -4.9 | 0 | 0 | 0 | 111 | F82 R88 E89 | F82-N86 PolarHBondContact O-N 3.35Å; N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 WeakPolarHBondContact OD1-CB 3.46Å; N86-R88 PolarHBondContact OD1-N 3.16Å; N86-R88 VanDerWaalsContact OD1-N 3.12Å; N86-E89 HydrophobicContact CB-CG 4.37Å; N86-E89 PolarHBondContact ND2-OE1 2.85Å; N86-E89 PolarHBondContact O-N 3.13Å | ||
| 87 | A | 86.2 | Confident | 90 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -14.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 88 | R | 86.1 | Confident | 88.9 | Confident | 207 Ų | 207 | 60.4 Ų | 60.4 | 78% | 0.781 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -27.4 | 179.1 | -66.1 | -176.2 | 176.7 | -178.1 | 0.1 | 112.3 | N86 | N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 WeakPolarHBondContact OD1-CB 3.46Å; N86-R88 PolarHBondContact OD1-N 3.16Å; N86-R88 VanDerWaalsContact OD1-N 3.12Å |
| 89 | E | 87.1 | Confident | 88.1 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | trans | -74.2 | 127.3 | 179.7 | -78.5 | 172.2 | -142.8 | 0 | 0 | 111 | N86 | N86-E89 HydrophobicContact CB-CG 4.37Å; N86-E89 PolarHBondContact ND2-OE1 2.85Å; N86-E89 PolarHBondContact O-N 3.13Å | ||
| 90 | R | 89.9 | Confident | 87.6 | Confident | 170 Ų | 170 | 68.8 Ų | 68.8 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 158.4 | 173 | -62.1 | -174.6 | -179.7 | -168.9 | 0.3 | 108.7 | L40 G41 V92 | L40-R90 CarbonylContact C-O 3.57Å; L40-R90 WeakPolarHBondContact CA-O 3.21Å; G41-R90 PolarHBondContact N-O 3.5Å; G41-R90 PolarHBondContact O-N 3.42Å; R90-V92 PolarHBondContact O-N 3.48Å |
| 91 | I | 91 | Very high | 87.3 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132.6 | 166.7 | -58.2 | 167.5 | 0 | 0 | 0 | 106.6 | V38 L40 L75 Y79 C116 | V38-I91 HydrophobicContact CG1-CB 4.41Å; V38-I91 HydrophobicContact CG1-CD1 4.49Å; V38-I91 HydrophobicContact CG1-CG1 4.02Å; V38-I91 HydrophobicContact CG1-CG2 3.69Å; L40-I91 HydrophobicContact CD2-CB 4.43Å; L40-I91 HydrophobicContact CD2-CG1 3.77Å; L75-I91 HydrophobicContact CD2-CD1 3.79Å; Y79-I91 HydrophobicContact CD1-CD1 4.09Å; Y79-I91 HydrophobicContact CD2-CD1 3.82Å; Y79-I91 HydrophobicContact CD2-CG1 3.59Å; Y79-I91 HydrophobicContact CE2-CD1 4.28Å; Y79-I91 HydrophobicContact CE2-CG1 3.82Å; Y79-I91 HydrophobicContact CG-CD1 3.73Å; Y79-I91 HydrophobicContact CG-CG1 4.06Å; I91-C116 WeakPolarHBondContact CB-SG 3.42Å; I91-C116 WeakPolarHBondContact CG2-SG 3.28Å; I91-C116 PolarHBondContact O-SG 3.45Å |
| 92 | V | 90.8 | Very high | 86.9 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -14.5 | -179.5 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | L39 L48 R90 V120 | L39-V92 HydrophobicContact CB-CG2 3.94Å; L39-V92 WeakPolarHBondContact O-CG2 3.32Å; L39-V92 PolarHBondContact O-N 2.89Å; L48-V92 HydrophobicContact CD1-CB 3.46Å; L48-V92 VanDerWaalsContact CD1-CB 3.46Å; L48-V92 HydrophobicContact CD1-CG1 3.52Å; L48-V92 HydrophobicContact CD1-CG2 3.91Å; L48-V92 HydrophobicContact CD2-CB 4.28Å; L48-V92 HydrophobicContact CD2-CG2 4.43Å; L48-V92 HydrophobicContact CG-CB 4.45Å; R90-V92 PolarHBondContact O-N 3.48Å; V92-V120 PolarHBondContact O-N 3.14Å |
| 93 | G | 92.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -156.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L39 V120 | L39-G93 PolarHBondContact N-O 2.91Å; G93-V120 CarbonylContact C-O 3.56Å; G93-V120 WeakPolarHBondContact CA-O 3.49Å |
| 94 | W | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.9 | -179.6 | 63.5 | -75.2 | 0 | 0 | 0 | 109.7 | V36 G37 H96 D105 I108 N109 M112 V120 L121 V122 | V36-W94 HydrophobicContact CG1-CE3 3.79Å; V36-W94 HydrophobicContact CG1-CZ3 4.2Å; V36-W94 HydrophobicContact CG2-CZ3 4.26Å; G37-W94 CarbonylContact O-C 3.55Å; G37-W94 VanDerWaalsContact O-CA 3.26Å; G37-W94 WeakPolarHBondContact O-CA 3.38Å; G37-W94 VanDerWaalsContact O-CB 3.3Å; G37-W94 WeakPolarHBondContact O-CB 3.41Å; W94-H96 HydrophobicContact CE3-CB 4.41Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.94Å; W94-H96 AromaticContact CZ3-CD2 3.58Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.29Å; W94-I108 HydrophobicContact CD2-CG2 4.08Å; W94-I108 HydrophobicContact CE3-CG2 3.99Å; W94-I108 HydrophobicContact CH2-CB 3.89Å; W94-I108 HydrophobicContact CH2-CD1 4.29Å; W94-I108 HydrophobicContact CH2-CG2 3.66Å; W94-I108 HydrophobicContact CZ2-CB 4.02Å; W94-I108 HydrophobicContact CZ2-CG2 3.8Å; W94-I108 HydrophobicContact CZ3-CB 4.42Å; W94-I108 HydrophobicContact CZ3-CD1 4.46Å; W94-I108 HydrophobicContact CZ3-CG2 3.76Å; W94-N109 HydrophobicContact CZ2-CB 4.07Å; W94-N109 PolarHBondContact NE1-OD1 3.33Å; W94-M112 HydrophobicContact CB-CE 3.86Å; W94-M112 HydrophobicContact CB-CG 4.25Å; W94-M112 HydrophobicContact CG-CE 4.42Å; W94-M112 HydrophobicContact CG-CG 3.98Å; W94-V120 PolarHBondContact N-O 2.98Å; W94-L121 HydrophobicContact CD2-CD1 3.92Å; W94-L121 HydrophobicContact CE3-CD1 3.89Å; W94-L121 HydrophobicContact CH2-CD1 3.78Å; W94-L121 HydrophobicContact CH2-CD2 4.37Å; W94-L121 HydrophobicContact CZ2-CB 4.42Å; W94-L121 HydrophobicContact CZ2-CD1 3.75Å; W94-L121 HydrophobicContact CZ2-CD2 4.15Å; W94-L121 HydrophobicContact CZ2-CG 4.31Å; W94-L121 HydrophobicContact CZ3-CD1 3.85Å; W94-L121 WeakPolarHBondContact O-CA 3.48Å; W94-V122 PolarHBondContact O-N 3.41Å |
| 95 | Y | 93.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.7 | 175 | 70.7 | -87.6 | 0 | 0 | 0 | 109.7 | V19 H22 V36 G37 L39 T97 V122 I124 | V19-Y95 HydrophobicContact CB-CE2 4.1Å; V19-Y95 HydrophobicContact CG1-CD2 4Å; V19-Y95 HydrophobicContact CG1-CE2 3.75Å; V19-Y95 HydrophobicContact CG2-CD1 4.45Å; V19-Y95 HydrophobicContact CG2-CD2 3.73Å; V19-Y95 HydrophobicContact CG2-CE1 4.2Å; V19-Y95 HydrophobicContact CG2-CE2 3.47Å; V19-Y95 VanDerWaalsContact CG2-CE2 3.47Å; V19-Y95 HydrophobicContact CG2-CG 4.21Å; H22-Y95 PolarHBondContact ND1-OH 3.22Å; V36-Y95 WeakPolarHBondContact CA-O 3.49Å; G37-Y95 VanDerWaalsContact C-CE1 3.43Å; G37-Y95 PolarHBondContact N-O 3.39Å; G37-Y95 WeakPolarHBondContact O-CD1 3.42Å; G37-Y95 PolarHBondContact O-N 2.9Å; L39-Y95 HydrophobicContact CD2-CD1 3.43Å; L39-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L39-Y95 HydrophobicContact CD2-CE1 4.31Å; L39-Y95 HydrophobicContact CD2-CG 4.07Å; L39-Y95 HydrophobicContact CG-CD1 3.91Å; L39-Y95 HydrophobicContact CG-CG 4.48Å; Y95-T97 HydrophobicContact CE2-CG2 4.5Å; Y95-V122 WeakPolarHBondContact CA-O 3.46Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.49Å; Y95-I124 HydrophobicContact CD2-CD1 4.38Å; Y95-I124 HydrophobicContact CG-CD1 4.33Å |
| 96 | H | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.1 | 163.8 | 71.6 | 68.1 | 0 | 0 | 0 | 112.1 | R34 V35 V36 W94 G98 D105 L121 V122 I124 | R34-H96 HydrophobicContact CG-CB 4.09Å; V35-H96 CarbonylContact O-C 3.35Å; V35-H96 WeakPolarHBondContact O-CA 3.5Å; V36-H96 HydrophobicContact CG2-CB 3.97Å; W94-H96 HydrophobicContact CE3-CB 4.41Å; W94-H96 AromaticContact CH2-CD2 3.82Å; W94-H96 HydrophobicContact CZ3-CB 3.94Å; W94-H96 AromaticContact CZ3-CD2 3.58Å; H96-G98 PolarHBondContact ND1-N 2.94Å; H96-G98 PolarHBondContact O-N 3.07Å; H96-D105 IonicContact NE2-OD2 3.67Å; H96-D105 PolarHBondContact NE2-OD2 3.23Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.47Å; H96-V122 PolarHBondContact N-O 2.99Å; H96-I124 PolarHBondContact O-N 3.01Å |
| 97 | T | 86.1 | Confident | 86.1 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | trans | -93.3 | 82.5 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | V19 R34 V35 Y95 V126 | V19-T97 HydrophobicContact CG1-CG2 3.21Å; R34-T97 WeakPolarHBondContact CA-O 3.46Å; R34-T97 WeakPolarHBondContact CG-O 3.32Å; V35-T97 WeakPolarHBondContact CA-OG1 3.49Å; V35-T97 HydrophobicContact CB-CG2 4.44Å; V35-T97 WeakPolarHBondContact CB-OG1 3.34Å; V35-T97 PolarHBondContact N-OG1 2.84Å; V35-T97 PolarHBondContact O-N 3.45Å; V35-T97 PolarHBondContact O-OG1 2.98Å; Y95-T97 HydrophobicContact CE2-CG2 4.5Å; T97-V126 VanDerWaalsContact CB-CG2 3.5Å; T97-V126 HydrophobicContact CG2-CG2 3.46Å; T97-V126 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 98 | G | 68.1 | Low | 86.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -140.8 | 139.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | H96 K100 I123 | H96-G98 PolarHBondContact ND1-N 2.94Å; H96-G98 PolarHBondContact O-N 3.07Å; G98-K100 PolarHBondContact O-N 3.37Å; G98-I123 WeakPolarHBondContact O-CG2 3.36Å | ||
| 99 | P | 73.8 | Confident | 86.3 | Confident | 101 Ų | 101 | 44 Ų | 44 | 66% | 0.656 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -70.1 | -16 | -178.1 | 28.4 | -34.1 | 0 | 0 | 0 | 112.6 | ||
| 100 | K | 79.3 | Confident | 86.3 | Confident | 156 Ų | 156 | 46.7 Ų | 46.7 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -148.4 | 158.5 | -179.7 | -62.7 | -175.5 | -178.6 | 173.7 | 0 | 111 | G98 H102 | G98-K100 PolarHBondContact O-N 3.37Å; K100-H102 PolarHBondContact O-CE1 2.96Å; K100-H102 PolarHBondContact O-ND1 2.86Å; K100-H102 VanDerWaalsContact O-ND1 3.13Å |
| 101 | L | 83.4 | Confident | 86.1 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | trans | -64.9 | 144.2 | 168.8 | -77.4 | 103 | 0 | 0 | 0 | 111.6 | D105 L121 I123 Y138 F155 | L101-D105 WeakPolarHBondContact CA-OD2 3.41Å; L101-L121 HydrophobicContact CD2-CD2 4.08Å; L101-I123 HydrophobicContact CD1-CD1 3.46Å; L101-I123 VanDerWaalsContact CD1-CD1 3.46Å; L101-I123 HydrophobicContact CG-CD1 3.63Å; L101-Y138 HydrophobicContact CD1-CD2 4.29Å; L101-Y138 HydrophobicContact CD1-CE1 4.07Å; L101-Y138 HydrophobicContact CD1-CE2 3.86Å; L101-F155 HydrophobicContact CD2-CB 3.93Å; L101-F155 HydrophobicContact CD2-CD2 3.32Å; L101-F155 HydrophobicContact CD2-CE2 3.96Å; L101-F155 HydrophobicContact CD2-CG 3.76Å | ||
| 102 | H | 83.4 | Confident | 85.9 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 32% | 0.324 | 20% | 0.201 | S | C | . | . | trans | -113.1 | 157.4 | 172.4 | -64.6 | 72.1 | 0 | 0 | 0 | 110.1 | R34 K100 N104 D105 | R34-H102 PolarHBondContact NH1-ND1 3.35Å; K100-H102 PolarHBondContact O-CE1 2.96Å; K100-H102 PolarHBondContact O-ND1 2.86Å; K100-H102 VanDerWaalsContact O-ND1 3.13Å; H102-N104 PolarHBondContact O-N 2.97Å; H102-N104 VanDerWaalsContact O-N 3.17Å; H102-D105 PolarHBondContact N-OD2 2.91Å; H102-D105 WeakPolarHBondContact O-CB 3.33Å; H102-D105 VanDerWaalsContact O-CG 3.29Å; H102-D105 PolarHBondContact O-N 3.41Å | ||
| 103 | K | 82.3 | Confident | 85.7 | Confident | 180 Ų | 180 | 42.2 Ų | 42.2 | 78% | 0.783 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.1 | 178 | -170.1 | 177.9 | 177.6 | -175.1 | 0 | 112.1 | D105 I106 | K103-D105 PolarHBondContact O-N 3.43Å; K103-I106 VanDerWaalsContact O-CG2 3.23Å; K103-I106 WeakPolarHBondContact O-CG2 3.36Å |
| 104 | N | 85.9 | Confident | 85.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.048 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -21 | -176.9 | -48.3 | -33.3 | 0 | 0 | 0 | 113 | E60 D65 H102 I106 A107 I108 | E60-N104 PolarHBondContact OE1-ND2 3.4Å; D65-N104 VanDerWaalsContact C-CG 3.46Å; D65-N104 VanDerWaalsContact C-ND2 3.27Å; D65-N104 VanDerWaalsContact C-OD1 3.24Å; D65-N104 WeakPolarHBondContact CA-ND2 3.43Å; D65-N104 VanDerWaalsContact CB-ND2 3.3Å; D65-N104 WeakPolarHBondContact CB-ND2 3.39Å; D65-N104 PolarHBondContact O-ND2 3.07Å; D65-N104 PolarHBondContact O-OD1 3.19Å; H102-N104 PolarHBondContact O-N 2.97Å; H102-N104 VanDerWaalsContact O-N 3.17Å; N104-I106 PolarHBondContact O-N 3.26Å; N104-I106 VanDerWaalsContact O-N 3.09Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 3.44Å; N104-I108 PolarHBondContact O-N 2.92Å |
| 105 | D | 88.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -27 | -176.9 | -61.8 | -18.6 | 0 | 0 | 0 | 111.5 | R34 W94 H96 L101 H102 K103 N109 L121 F155 | R34-D105 IonicContact CZ-OD1 2.62Å; R34-D105 IonicContact NH1-OD1 2.75Å; R34-D105 PolarHBondContact NH1-OD1 2.9Å; R34-D105 IonicContact NH1-OD2 3.51Å; R34-D105 IonicContact NH2-OD1 3.33Å; W94-D105 HydrophobicContact CH2-CB 3.95Å; W94-D105 HydrophobicContact CZ2-CB 4.29Å; H96-D105 IonicContact NE2-OD2 3.67Å; H96-D105 PolarHBondContact NE2-OD2 3.23Å; L101-D105 WeakPolarHBondContact CA-OD2 3.41Å; H102-D105 PolarHBondContact N-OD2 2.91Å; H102-D105 WeakPolarHBondContact O-CB 3.33Å; H102-D105 VanDerWaalsContact O-CG 3.29Å; H102-D105 PolarHBondContact O-N 3.41Å; K103-D105 PolarHBondContact O-N 3.43Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.35Å; D105-L121 HydrophobicContact CB-CD2 4.36Å; D105-F155 HydrophobicContact CB-CE2 3.83Å; D105-F155 HydrophobicContact CB-CZ 4.18Å |
| 106 | I | 87.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 175.5 | -152.9 | 164 | 0 | 0 | 0 | 112.6 | K103 N104 E110 K153 | K103-I106 VanDerWaalsContact O-CG2 3.23Å; K103-I106 WeakPolarHBondContact O-CG2 3.36Å; N104-I106 PolarHBondContact O-N 3.26Å; N104-I106 VanDerWaalsContact O-N 3.09Å; I106-E110 PolarHBondContact O-N 3.29Å; I106-K153 HydrophobicContact CD1-CB 3.36Å; I106-K153 WeakPolarHBondContact CD1-O 3.47Å; I106-K153 HydrophobicContact CG1-CB 3.97Å |
| 107 | A | 87.8 | Confident | 83.5 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.9 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | W68 N104 N109 E110 L111 | W68-A107 HydrophobicContact CZ2-CB 3.99Å; N104-A107 WeakPolarHBondContact O-CB 3.48Å; N104-A107 PolarHBondContact O-N 3.44Å; A107-N109 VanDerWaalsContact C-N 3.33Å; A107-E110 PolarHBondContact O-N 2.86Å; A107-L111 PolarHBondContact O-N 3.44Å |
| 108 | I | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.3 | -61.7 | 169.8 | 0 | 0 | 0 | 109.9 | F58 W68 L70 W94 N104 E110 L111 M112 | F58-I108 HydrophobicContact CE2-CD1 3.77Å; F58-I108 HydrophobicContact CE2-CG1 4.49Å; F58-I108 HydrophobicContact CZ-CD1 3.85Å; W68-I108 HydrophobicContact CD2-CD1 4.47Å; W68-I108 HydrophobicContact CD2-CG1 3.85Å; W68-I108 HydrophobicContact CE3-CG1 4.02Å; W68-I108 HydrophobicContact CG-CG1 4.45Å; W68-I108 HydrophobicContact CH2-CG1 4.03Å; W68-I108 HydrophobicContact CZ2-CG1 3.89Å; W68-I108 HydrophobicContact CZ3-CG1 4.1Å; L70-I108 HydrophobicContact CD1-CG2 4.44Å; W94-I108 HydrophobicContact CD2-CG2 4.08Å; W94-I108 HydrophobicContact CE3-CG2 3.99Å; W94-I108 HydrophobicContact CH2-CB 3.89Å; W94-I108 HydrophobicContact CH2-CD1 4.29Å; W94-I108 HydrophobicContact CH2-CG2 3.66Å; W94-I108 HydrophobicContact CZ2-CB 4.02Å; W94-I108 HydrophobicContact CZ2-CG2 3.8Å; W94-I108 HydrophobicContact CZ3-CB 4.42Å; W94-I108 HydrophobicContact CZ3-CD1 4.46Å; W94-I108 HydrophobicContact CZ3-CG2 3.76Å; N104-I108 PolarHBondContact O-N 2.92Å; I108-E110 PolarHBondContact O-N 3.49Å; I108-L111 WeakPolarHBondContact O-CB 3.39Å; I108-L111 PolarHBondContact O-N 3.12Å; I108-M112 PolarHBondContact O-N 2.93Å |
| 109 | N | 88.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.011 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.9 | -167.8 | 52.7 | 0 | 0 | 0 | 112.6 | W94 D105 A107 L111 M112 K113 S119 S140 F155 | W94-N109 HydrophobicContact CZ2-CB 4.07Å; W94-N109 PolarHBondContact NE1-OD1 3.33Å; D105-N109 WeakPolarHBondContact O-CB 3.47Å; D105-N109 PolarHBondContact O-N 3.35Å; A107-N109 VanDerWaalsContact C-N 3.33Å; N109-L111 PolarHBondContact O-N 3.48Å; N109-M112 PolarHBondContact O-N 3.33Å; N109-K113 WeakPolarHBondContact O-CB 3.48Å; N109-K113 PolarHBondContact O-N 3.02Å; N109-S119 WeakPolarHBondContact OD1-CB 3.38Å; N109-S119 PolarHBondContact OD1-OG 3.42Å; N109-S140 WeakPolarHBondContact ND2-CB 3.46Å; N109-F155 HydrophobicContact CB-CE1 4.34Å; N109-F155 HydrophobicContact CB-CZ 4Å |
| 110 | E | 86.9 | Confident | 85 | Confident | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 175.6 | -167.5 | 67.1 | -174.8 | 0 | 0 | 111.9 | I106 A107 I108 K113 K153 | I106-E110 PolarHBondContact O-N 3.29Å; A107-E110 PolarHBondContact O-N 2.86Å; I108-E110 PolarHBondContact O-N 3.49Å; E110-K113 WeakPolarHBondContact O-CB 3.5Å; E110-K113 PolarHBondContact O-N 3.02Å; E110-K153 IonicContact OE1-NZ 2.7Å; E110-K153 PolarHBondContact OE1-NZ 3.38Å; E110-K153 VanDerWaalsContact OE1-NZ 3.1Å; E110-K153 IonicContact OE2-NZ 3.71Å; E110-K153 PolarHBondContact OE2-NZ 3.24Å |
| 111 | L | 87 | Confident | 85.7 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -47.9 | 175.1 | -171.2 | 141.6 | 0 | 0 | 0 | 111.3 | W68 L70 H72 A107 I108 N109 K113 R114 Y115 | W68-L111 HydrophobicContact CH2-CB 4.18Å; W68-L111 HydrophobicContact CH2-CD1 3.76Å; W68-L111 HydrophobicContact CZ3-CD1 4.31Å; L70-L111 HydrophobicContact CD2-CD2 4.46Å; H72-L111 WeakPolarHBondContact CE1-CD1 3.41Å; H72-L111 WeakPolarHBondContact CE1-CD2 3.3Å; H72-L111 VanDerWaalsContact NE2-CD1 3.27Å; H72-L111 WeakPolarHBondContact NE2-CD1 3.49Å; A107-L111 PolarHBondContact O-N 3.44Å; I108-L111 WeakPolarHBondContact O-CB 3.39Å; I108-L111 PolarHBondContact O-N 3.12Å; N109-L111 PolarHBondContact O-N 3.48Å; L111-K113 PolarHBondContact O-N 2.89Å; L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.31Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.16Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å |
| 112 | M | 85.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -27.6 | 177 | -70.2 | -59.6 | -157 | 0 | 0 | 112.1 | V38 L70 L75 W94 I108 N109 R114 Y115 C116 | V38-M112 HydrophobicContact CG2-CE 3.63Å; L70-M112 HydrophobicContact CD1-CE 3.95Å; L75-M112 HydrophobicContact CD1-CE 3.98Å; L75-M112 HydrophobicContact CD1-SD 3.89Å; W94-M112 HydrophobicContact CB-CE 3.86Å; W94-M112 HydrophobicContact CB-CG 4.25Å; W94-M112 HydrophobicContact CG-CE 4.42Å; W94-M112 HydrophobicContact CG-CG 3.98Å; I108-M112 PolarHBondContact O-N 2.93Å; N109-M112 PolarHBondContact O-N 3.33Å; M112-R114 PolarHBondContact O-N 3.3Å; M112-Y115 PolarHBondContact O-N 3.35Å; M112-C116 PolarHBondContact O-N 3.17Å |
| 113 | K | 85.9 | Confident | 86.5 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -24.3 | 177.3 | -155 | 169.3 | -174.7 | 173.3 | 0 | 113.4 | N109 E110 L111 Y115 C116 P117 | N109-K113 WeakPolarHBondContact O-CB 3.48Å; N109-K113 PolarHBondContact O-N 3.02Å; E110-K113 WeakPolarHBondContact O-CB 3.5Å; E110-K113 PolarHBondContact O-N 3.02Å; L111-K113 PolarHBondContact O-N 2.89Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 2.97Å; K113-C116 VanDerWaalsContact CA-O 3.28Å; K113-C116 WeakPolarHBondContact CA-O 3.33Å; K113-C116 CarbonylContact O-C 3.6Å; K113-C116 PolarHBondContact O-N 3.17Å; K113-P117 WeakPolarHBondContact CE-O 3.37Å |
| 114 | R | 85.6 | Confident | 86.8 | Confident | 212 Ų | 212 | 38.2 Ų | 38.2 | 80% | 0.8 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -34.6 | 173 | -61.7 | -178.4 | -177.7 | -178.9 | 1.9 | 112.4 | L111 M112 | L111-R114 WeakPolarHBondContact O-CB 3.4Å; L111-R114 WeakPolarHBondContact O-CG 3.31Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.16Å; M112-R114 PolarHBondContact O-N 3.3Å |
| 115 | Y | 84.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 39.2 Ų | 39.2 | 35% | 0.345 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -34.3 | 176.7 | -62.6 | -82.4 | 0 | 0 | 0 | 111.5 | L75 L111 M112 K113 | L75-Y115 HydrophobicContact CD1-CE2 4.49Å; L75-Y115 HydrophobicContact CD2-CD1 4.14Å; L75-Y115 HydrophobicContact CD2-CE1 3.99Å; L75-Y115 HydrophobicContact CD2-CE2 4.45Å; L75-Y115 HydrophobicContact CD2-CG 4.43Å; L111-Y115 HydrophobicContact CD2-CE2 4.41Å; M112-Y115 PolarHBondContact O-N 3.35Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; K113-Y115 PolarHBondContact O-N 2.97Å |
| 116 | C | 79.9 | Confident | 86.3 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 10% | 0.095 | 20% | 0.201 | C | C | . | . | trans | -140.2 | 113.3 | -174.7 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | I91 M112 K113 N118 S119 | I91-C116 WeakPolarHBondContact CB-SG 3.42Å; I91-C116 WeakPolarHBondContact CG2-SG 3.28Å; I91-C116 PolarHBondContact O-SG 3.45Å; M112-C116 PolarHBondContact O-N 3.17Å; K113-C116 VanDerWaalsContact CA-O 3.28Å; K113-C116 WeakPolarHBondContact CA-O 3.33Å; K113-C116 CarbonylContact O-C 3.6Å; K113-C116 PolarHBondContact O-N 3.17Å; C116-N118 PolarHBondContact O-N 3.29Å; C116-S119 PolarHBondContact O-N 3.36Å | ||
| 117 | P | 76.4 | Confident | 85.8 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.6 | -177.6 | 23.8 | -32.9 | 0 | 0 | 0 | 113 | K113 | K113-P117 WeakPolarHBondContact CE-O 3.37Š|
| 118 | N | 81.3 | Confident | 84.9 | Confident | 73 Ų | 73 | 48.1 Ų | 48.1 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 47.3 | 179.7 | -58.6 | -7.2 | 0 | 0 | 0 | 111.3 | W43 C116 V120 | W43-N118 HydrophobicContact CH2-CB 4.29Å; W43-N118 HydrophobicContact CZ3-CB 4.28Å; C116-N118 PolarHBondContact O-N 3.29Å; N118-V120 PolarHBondContact O-N 3.04Å |
| 119 | S | 87 | Confident | 83.9 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.4 | 178.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | N109 C116 | N109-S119 WeakPolarHBondContact OD1-CB 3.38Å; N109-S119 PolarHBondContact OD1-OG 3.42Å; C116-S119 PolarHBondContact O-N 3.36Å |
| 120 | V | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.1 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | V6 V9 L48 V92 G93 W94 N118 V122 A137 | V6-V120 HydrophobicContact CG2-CG2 3.71Å; V9-V120 HydrophobicContact CG2-CG1 4.09Å; L48-V120 HydrophobicContact CD2-CB 3.86Å; L48-V120 HydrophobicContact CD2-CG1 4.3Å; L48-V120 HydrophobicContact CD2-CG2 3.59Å; V92-V120 PolarHBondContact O-N 3.14Å; G93-V120 CarbonylContact C-O 3.56Å; G93-V120 WeakPolarHBondContact CA-O 3.49Å; W94-V120 PolarHBondContact N-O 2.98Å; N118-V120 PolarHBondContact O-N 3.04Å; V120-V122 HydrophobicContact CG1-CG2 4.11Å; V120-A137 HydrophobicContact CG1-CB 4.4Å |
| 121 | L | 92.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.5 | 169.5 | 167.2 | 58.5 | 0 | 0 | 0 | 109 | W94 H96 L101 D105 I123 A137 Y138 F155 | W94-L121 HydrophobicContact CD2-CD1 3.92Å; W94-L121 HydrophobicContact CE3-CD1 3.89Å; W94-L121 HydrophobicContact CH2-CD1 3.78Å; W94-L121 HydrophobicContact CH2-CD2 4.37Å; W94-L121 HydrophobicContact CZ2-CB 4.42Å; W94-L121 HydrophobicContact CZ2-CD1 3.75Å; W94-L121 HydrophobicContact CZ2-CD2 4.15Å; W94-L121 HydrophobicContact CZ2-CG 4.31Å; W94-L121 HydrophobicContact CZ3-CD1 3.85Å; W94-L121 WeakPolarHBondContact O-CA 3.48Å; H96-L121 WeakPolarHBondContact CD2-CD1 3.47Å; L101-L121 HydrophobicContact CD2-CD2 4.08Å; D105-L121 HydrophobicContact CB-CD2 4.36Å; L121-I123 HydrophobicContact CG-CG1 4.39Å; L121-A137 CarbonylContact O-C 3.51Å; L121-A137 WeakPolarHBondContact O-CA 3.31Å; L121-Y138 PolarHBondContact N-O 2.94Å; L121-Y138 PolarHBondContact O-N 2.89Å; L121-F155 HydrophobicContact CB-CE1 4.22Å; L121-F155 HydrophobicContact CD2-CD1 4.41Å; L121-F155 HydrophobicContact CD2-CE1 4.04Å; L121-F155 HydrophobicContact CD2-CE2 4.37Å; L121-F155 HydrophobicContact CD2-CZ 4.02Å |
| 122 | V | 92 | Very high | 80.7 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.3 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | V9 V11 L39 W94 Y95 H96 V120 I124 E136 A137 | V9-V122 HydrophobicContact CG1-CG2 4.34Å; V11-V122 HydrophobicContact CG2-CG1 4.32Å; L39-V122 HydrophobicContact CD1-CB 3.82Å; L39-V122 HydrophobicContact CD1-CG2 3.48Å; L39-V122 VanDerWaalsContact CD1-CG2 3.48Å; W94-V122 PolarHBondContact O-N 3.41Å; Y95-V122 WeakPolarHBondContact CA-O 3.46Å; Y95-V122 VanDerWaalsContact CB-O 3.28Å; Y95-V122 WeakPolarHBondContact CB-O 3.49Å; H96-V122 PolarHBondContact N-O 2.99Å; V120-V122 HydrophobicContact CG1-CG2 4.11Å; V122-I124 HydrophobicContact CG1-CD1 4.46Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.3Å; V122-A137 HydrophobicContact CG2-CB 4.47Å |
| 123 | I | 91.6 | Very high | 80.5 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.9 | 172.3 | -52.6 | -173.2 | 0 | 0 | 0 | 107.6 | G98 L101 L121 T135 E136 Y138 | G98-I123 WeakPolarHBondContact O-CG2 3.36Å; L101-I123 HydrophobicContact CD1-CD1 3.46Å; L101-I123 VanDerWaalsContact CD1-CD1 3.46Å; L101-I123 HydrophobicContact CG-CD1 3.63Å; L121-I123 HydrophobicContact CG-CG1 4.39Å; I123-T135 WeakPolarHBondContact O-CA 3.47Å; I123-E136 HydrophobicContact CB-CB 4.38Å; I123-E136 PolarHBondContact N-O 2.77Å; I123-E136 PolarHBondContact O-N 2.95Å; I123-Y138 HydrophobicContact CB-CE2 4.47Å; I123-Y138 HydrophobicContact CD1-CD2 3.82Å; I123-Y138 HydrophobicContact CD1-CE2 3.41Å; I123-Y138 VanDerWaalsContact CD1-CE2 3.41Å; I123-Y138 HydrophobicContact CG1-CD2 3.91Å; I123-Y138 HydrophobicContact CG1-CE2 3.81Å |
| 124 | I | 89.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.6 | 178.1 | -57.7 | 174.5 | 0 | 0 | 0 | 107.5 | V15 L16 V19 Y95 H96 V122 V126 P134 T135 | V15-I124 HydrophobicContact CG1-CD1 4.29Å; L16-I124 HydrophobicContact CD2-CD1 4.14Å; L16-I124 HydrophobicContact CD2-CG1 4.38Å; L16-I124 HydrophobicContact CD2-CG2 3.93Å; V19-I124 HydrophobicContact CB-CD1 4.23Å; V19-I124 HydrophobicContact CB-CG2 4.44Å; V19-I124 HydrophobicContact CG1-CB 4.13Å; V19-I124 HydrophobicContact CG1-CD1 4.23Å; V19-I124 HydrophobicContact CG1-CG2 3.97Å; V19-I124 HydrophobicContact CG2-CD1 3.5Å; Y95-I124 HydrophobicContact CD2-CD1 4.38Å; Y95-I124 HydrophobicContact CG-CD1 4.33Å; H96-I124 PolarHBondContact O-N 3.01Å; V122-I124 HydrophobicContact CG1-CD1 4.46Å; V122-I124 HydrophobicContact CG1-CG1 3.95Å; I124-V126 PolarHBondContact O-N 3.35Å; I124-P134 WeakPolarHBondContact CA-O 3.33Å; I124-T135 HydrophobicContact CG1-CG2 4.42Å |
| 125 | D | 85.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | trans | -78.1 | 120.9 | 174.7 | -157.8 | -18.2 | 0 | 0 | 0 | 109.8 | K127 K129 P134 | D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 PolarHBondContact OD1-N 2.97Å; D125-K129 WeakPolarHBondContact OD2-CE 3.43Å; D125-K129 IonicContact OD2-NZ 2.72Å; D125-K129 PolarHBondContact OD2-NZ 3Å; D125-P134 HydrophobicContact CB-CB 4.47Å; D125-P134 PolarHBondContact N-O 3.27Å | ||
| 126 | V | 77 | Confident | 80.7 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -81.1 | -20.5 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | V20 F23 T97 I124 | V20-V126 HydrophobicContact CG2-CG1 4.47Å; F23-V126 HydrophobicContact CB-CG1 3.94Å; F23-V126 HydrophobicContact CB-CG2 4.16Å; F23-V126 HydrophobicContact CD1-CB 4.29Å; F23-V126 HydrophobicContact CD1-CG1 3.43Å; F23-V126 VanDerWaalsContact CD1-CG1 3.43Å; F23-V126 HydrophobicContact CD2-CB 4.49Å; F23-V126 HydrophobicContact CD2-CG1 4.36Å; F23-V126 HydrophobicContact CD2-CG2 4.02Å; F23-V126 HydrophobicContact CE1-CG1 3.95Å; F23-V126 HydrophobicContact CG-CB 4.25Å; F23-V126 HydrophobicContact CG-CG1 3.65Å; F23-V126 HydrophobicContact CG-CG2 3.99Å; T97-V126 VanDerWaalsContact CB-CG2 3.5Å; T97-V126 HydrophobicContact CG2-CG2 3.46Å; T97-V126 VanDerWaalsContact CG2-CG2 3.46Å; I124-V126 PolarHBondContact O-N 3.35Å |
| 127 | K | 78.6 | Confident | 81.2 | Confident | 143 Ų | 143 | 56 Ų | 56 | 62% | 0.622 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -93.6 | 116 | 175.9 | -66.9 | -178.2 | -177.6 | 177 | 0 | 107.9 | D125 K129 | D125-K127 VanDerWaalsContact C-N 3.31Å; D125-K127 PolarHBondContact OD1-N 2.97Å; K127-K129 PolarHBondContact O-N 3.32Å |
| 128 | P | 67.5 | Low | 81.9 | Confident | 123 Ų | 123 | 52.9 Ų | 52.9 | 80% | 0.799 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 118.2 | 178.9 | 25.4 | -32 | 0 | 0 | 0 | 108.8 | ||
| 129 | K | 68.7 | Low | 82.3 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 144.3 | 165.7 | -70.7 | 171.4 | 176.4 | 138.8 | 0 | 108.2 | D125 K127 L131 | D125-K129 WeakPolarHBondContact OD2-CE 3.43Å; D125-K129 IonicContact OD2-NZ 2.72Å; D125-K129 PolarHBondContact OD2-NZ 3Å; K127-K129 PolarHBondContact O-N 3.32Å; K129-L131 PolarHBondContact O-N 3.44Å |
| 130 | D | 55.5 | Low | 82.2 | Confident | 172 Ų | 172 | 50.8 Ų | 50.8 | 92% | 0.92 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -61 | -17.9 | -177 | -70.7 | -33.4 | 0 | 0 | 0 | 114 | ||
| 131 | L | 68.1 | Low | 81.9 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -150.1 | 130.3 | -173.8 | -143.6 | 86.4 | 0 | 0 | 0 | 112.4 | K129 H196 K199 G200 | K129-L131 PolarHBondContact O-N 3.44Å; L131-H196 HydrophobicContact CD1-CB 4.46Å; L131-H196 WeakPolarHBondContact CD1-CD2 3.42Å; L131-K199 HydrophobicContact CD1-CB 4.38Å; L131-K199 HydrophobicContact CD1-CD 4.44Å; L131-K199 HydrophobicContact CD2-CB 3.55Å; L131-G200 VanDerWaalsContact CD2-CA 3.49Å |
| 132 | G | 72 | Confident | 81.3 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 114.5 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 133 | L | 80.8 | Confident | 80.3 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | trans | -78.1 | 130.8 | 170.5 | -67.9 | 163.7 | 0 | 0 | 0 | 107.8 | T135 S160 I162 | L133-T135 PolarHBondContact O-N 2.86Å; L133-T135 VanDerWaalsContact O-N 3.14Å; L133-S160 WeakPolarHBondContact CD1-O 3.1Å; L133-I162 HydrophobicContact CD2-CD1 3.69Å; L133-I162 HydrophobicContact CD2-CG1 3.97Å | ||
| 134 | P | 84.2 | Confident | 79.4 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -75.2 | 7.7 | 177 | 32.6 | -36.6 | 0 | 0 | 0 | 113.1 | I124 D125 | I124-P134 WeakPolarHBondContact CA-O 3.33Å; D125-P134 HydrophobicContact CB-CB 4.47Å; D125-P134 PolarHBondContact N-O 3.27Å |
| 135 | T | 86.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.6 | -176.2 | 52 | 0 | 0 | 0 | 0 | 111.2 | V11 L16 I123 I124 L133 S160 | V11-T135 HydrophobicContact CB-CG2 4.42Å; V11-T135 HydrophobicContact CG1-CG2 4.41Å; V11-T135 HydrophobicContact CG2-CG2 4.43Å; L16-T135 HydrophobicContact CD2-CG2 3.47Å; L16-T135 VanDerWaalsContact CD2-CG2 3.47Å; I123-T135 WeakPolarHBondContact O-CA 3.47Å; I124-T135 HydrophobicContact CG1-CG2 4.42Å; L133-T135 PolarHBondContact O-N 2.86Å; L133-T135 VanDerWaalsContact O-N 3.14Å; T135-S160 WeakPolarHBondContact CB-OG 3.48Å; T135-S160 WeakPolarHBondContact O-CB 3.44Å; T135-S160 PolarHBondContact O-OG 3.4Å; T135-S160 PolarHBondContact OG1-OG 3.27Å |
| 136 | E | 88.9 | Confident | 77.4 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 36% | 0.36 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.7 | 171.7 | -62.8 | 177.9 | 179.4 | 0 | 0 | 108.7 | V122 I123 Y138 | V122-E136 CarbonylContact C-O 3.57Å; V122-E136 WeakPolarHBondContact CA-O 3.3Å; I123-E136 HydrophobicContact CB-CB 4.38Å; I123-E136 PolarHBondContact N-O 2.77Å; I123-E136 PolarHBondContact O-N 2.95Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.52Å; E136-Y138 PolarHBondContact OE2-OH 3.31Å |
| 137 | A | 91.1 | Very high | 76.7 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V9 V120 L121 V122 H157 V158 | V9-A137 HydrophobicContact CB-CB 3.9Å; V9-A137 HydrophobicContact CG1-CB 4.32Å; V9-A137 HydrophobicContact CG2-CB 3.74Å; V120-A137 HydrophobicContact CG1-CB 4.4Å; L121-A137 CarbonylContact O-C 3.51Å; L121-A137 WeakPolarHBondContact O-CA 3.31Å; V122-A137 HydrophobicContact CG2-CB 4.47Å; A137-H157 WeakPolarHBondContact O-CA 3.47Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 3.05Å |
| 138 | Y | 90.9 | Very high | 76 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 13% | 0.125 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.5 | -178 | -63.9 | -84.4 | 0 | 0 | 0 | 110.6 | L101 L121 I123 E136 F155 E156 H157 | L101-Y138 HydrophobicContact CD1-CD2 4.29Å; L101-Y138 HydrophobicContact CD1-CE1 4.07Å; L101-Y138 HydrophobicContact CD1-CE2 3.86Å; L121-Y138 PolarHBondContact N-O 2.94Å; L121-Y138 PolarHBondContact O-N 2.89Å; I123-Y138 HydrophobicContact CB-CE2 4.47Å; I123-Y138 HydrophobicContact CD1-CD2 3.82Å; I123-Y138 HydrophobicContact CD1-CE2 3.41Å; I123-Y138 VanDerWaalsContact CD1-CE2 3.41Å; I123-Y138 HydrophobicContact CG1-CD2 3.91Å; I123-Y138 HydrophobicContact CG1-CE2 3.81Å; E136-Y138 HydrophobicContact CB-CD2 4.41Å; E136-Y138 HydrophobicContact CB-CE2 3.52Å; E136-Y138 PolarHBondContact OE2-OH 3.31Å; Y138-F155 HydrophobicContact CD1-CB 4.12Å; Y138-F155 HydrophobicContact CG-CB 4.37Å; Y138-E156 CarbonylContact C-O 3.6Å; Y138-E156 VanDerWaalsContact CA-O 3.29Å; Y138-E156 WeakPolarHBondContact CA-O 3.45Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å |
| 139 | I | 88.4 | Confident | 76.2 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 9% | 0.087 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.2 | 172.2 | -168.3 | 166.4 | 0 | 0 | 0 | 109.2 | L4 V6 V141 F155 E156 V158 | L4-I139 HydrophobicContact CD2-CG2 3.97Å; V6-I139 HydrophobicContact CG2-CD1 4.16Å; I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.08Å; I139-F155 CarbonylContact O-C 3.6Å; I139-F155 WeakPolarHBondContact O-CA 3.29Å; I139-E156 HydrophobicContact CG2-CB 4.14Å; I139-E156 PolarHBondContact N-O 3.5Å; I139-E156 PolarHBondContact O-N 3.29Å; I139-V158 HydrophobicContact CB-CG2 3.97Å; I139-V158 HydrophobicContact CG2-CG2 3.6Å |
| 140 | S | 85.6 | Confident | 76.5 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 12% | 0.119 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.5 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 110 | N109 T154 | N109-S140 WeakPolarHBondContact ND2-CB 3.46Å; S140-T154 WeakPolarHBondContact CA-O 3.24Å |
| 141 | V | 83.5 | Confident | 77.4 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.5 | 176.5 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | I139 E143 K153 T154 E156 | I139-V141 HydrophobicContact CG2-CG1 4.15Å; I139-V141 PolarHBondContact O-N 3.08Å; V141-E143 HydrophobicContact CG2-CG 3.97Å; V141-E143 PolarHBondContact O-N 2.93Å; V141-K153 CarbonylContact O-C 3.58Å; V141-K153 WeakPolarHBondContact O-CA 3.43Å; V141-T154 PolarHBondContact N-O 2.87Å; V141-T154 PolarHBondContact O-N 3.17Å; V141-E156 HydrophobicContact CG2-CB 3.74Å |
| 142 | E | 80.6 | Confident | 77.7 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 99.8 | 171.2 | -75.1 | 176 | -166 | 0 | 0 | 107.5 | T151 K153 | E142-T151 HydrophobicContact CB-CG2 4.06Å; E142-K153 HydrophobicContact CG-CD 4.38Å; E142-K153 HydrophobicContact CG-CG 3.5Å; E142-K153 VanDerWaalsContact CG-CG 3.5Å; E142-K153 WeakPolarHBondContact OE1-CE 3.47Å; E142-K153 IonicContact OE1-NZ 3.95Å |
| 143 | E | 70.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.8 | 176.2 | -72 | 179.8 | 151.7 | 0 | 0 | 109.6 | V141 S152 T154 | V141-E143 HydrophobicContact CG2-CG 3.97Å; V141-E143 PolarHBondContact O-N 2.93Å; E143-S152 PolarHBondContact N-O 3.27Å; E143-S152 PolarHBondContact O-N 3.44Å; E143-T154 VanDerWaalsContact CD-OG1 3.23Å; E143-T154 WeakPolarHBondContact CG-OG1 3.09Å; E143-T154 PolarHBondContact OE2-OG1 3.4Å |
| 144 | V | 72.9 | Confident | 78.3 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 70% | 0.697 | 38% | 0.375 | S | S | * | . | trans | -88.5 | 111.9 | 166.5 | -176.3 | 0 | 0 | 0 | 0 | 106.2 | T151 | V144-T151 HydrophobicContact CG2-CG2 4.1Š| ||
| 145 | H | 67.3 | Low | 78.5 | Confident | 61 Ų | 61 | 65 Ų | 65 | 28% | 0.282 | 37% | 0.369 | S | S | . | . | trans | -71.6 | 136.2 | 175.8 | -68.4 | -68 | 0 | 0 | 0 | 110 | D147 G148 T149 S152 | H145-D147 PolarHBondContact O-N 2.98Å; H145-G148 PolarHBondContact O-N 3.34Å; H145-T149 VanDerWaalsContact CB-OG1 3.24Å; H145-T149 WeakPolarHBondContact CB-OG1 3.09Å; H145-T149 PolarHBondContact CD2-OG1 3.18Å; H145-S152 PolarHBondContact CD2-OG 2.98Å; H145-S152 PolarHBondContact NE2-OG 3.38Å | ||
| 146 | D | 65.1 | Low | 78.4 | Confident | 177 Ų | 177 | 68.4 Ų | 68.4 | 95% | 0.947 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.4 | 175.2 | -151.8 | 18.2 | 0 | 0 | 0 | 112.3 | G148 | D146-G148 PolarHBondContact O-N 2.97Š|
| 147 | D | 62.9 | Low | 78.3 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 7.9 | 177.9 | -161.5 | 33.6 | 0 | 0 | 0 | 113.5 | H145 T149 | H145-D147 PolarHBondContact O-N 2.98Å; D147-T149 PolarHBondContact O-N 2.82Å |
| 148 | G | 63.8 | Low | 78.3 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 75% | 0.753 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 70.5 | 9.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | H145 D146 | H145-G148 PolarHBondContact O-N 3.34Å; D146-G148 PolarHBondContact O-N 2.97Å |
| 149 | T | 72.9 | Confident | 78.2 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -72.3 | 150.4 | 171.9 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | H145 D147 | H145-T149 VanDerWaalsContact CB-OG1 3.24Å; H145-T149 WeakPolarHBondContact CB-OG1 3.09Å; H145-T149 PolarHBondContact CD2-OG1 3.18Å; D147-T149 PolarHBondContact O-N 2.82Å | ||
| 150 | P | 74.5 | Confident | 78.2 | Confident | 117 Ų | 117 | 72.5 Ų | 72.5 | 76% | 0.76 | 41% | 0.413 | S | S | * | . | trans | -56 | 148.3 | 178.4 | -22.7 | 32.5 | 0 | 0 | 0 | 111.6 | S152 | P150-S152 PolarHBondContact O-N 2.87Š| ||
| 151 | T | 73.8 | Confident | 78.5 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | trans | -50.1 | 115.4 | 176 | -44.2 | 0 | 0 | 0 | 0 | 110 | E142 V144 | E142-T151 HydrophobicContact CB-CG2 4.06Å; V144-T151 HydrophobicContact CG2-CG2 4.1Å | ||
| 152 | S | 75.3 | Confident | 78.8 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.1 | 177.3 | 68.1 | 0 | 0 | 0 | 0 | 108.6 | E143 H145 P150 T154 | E143-S152 PolarHBondContact N-O 3.27Å; E143-S152 PolarHBondContact O-N 3.44Å; H145-S152 PolarHBondContact CD2-OG 2.98Å; H145-S152 PolarHBondContact NE2-OG 3.38Å; P150-S152 PolarHBondContact O-N 2.87Å; S152-T154 PolarHBondContact O-N 3.09Å |
| 153 | K | 81.4 | Confident | 79.2 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 26% | 0.261 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.6 | 165.8 | -76.7 | 173.4 | 179.6 | 179.3 | 0 | 107.6 | I106 E110 V141 E142 | I106-K153 HydrophobicContact CD1-CB 3.36Å; I106-K153 WeakPolarHBondContact CD1-O 3.47Å; I106-K153 HydrophobicContact CG1-CB 3.97Å; E110-K153 IonicContact OE1-NZ 2.7Å; E110-K153 PolarHBondContact OE1-NZ 3.38Å; E110-K153 VanDerWaalsContact OE1-NZ 3.1Å; E110-K153 IonicContact OE2-NZ 3.71Å; E110-K153 PolarHBondContact OE2-NZ 3.24Å; V141-K153 CarbonylContact O-C 3.58Å; V141-K153 WeakPolarHBondContact O-CA 3.43Å; E142-K153 HydrophobicContact CG-CD 4.38Å; E142-K153 HydrophobicContact CG-CG 3.5Å; E142-K153 VanDerWaalsContact CG-CG 3.5Å; E142-K153 WeakPolarHBondContact OE1-CE 3.47Å; E142-K153 IonicContact OE1-NZ 3.95Å |
| 154 | T | 83.5 | Confident | 80 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 23% | 0.233 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 162.1 | 176.1 | 50 | 0 | 0 | 0 | 0 | 109.3 | S140 V141 E143 S152 | S140-T154 WeakPolarHBondContact CA-O 3.24Å; V141-T154 PolarHBondContact N-O 2.87Å; V141-T154 PolarHBondContact O-N 3.17Å; E143-T154 VanDerWaalsContact CD-OG1 3.23Å; E143-T154 WeakPolarHBondContact CG-OG1 3.09Å; E143-T154 PolarHBondContact OE2-OG1 3.4Å; S152-T154 PolarHBondContact O-N 3.09Å |
| 155 | F | 87.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 71 Ų | 71 | 20% | 0.202 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.4 | 173.1 | -78.2 | -67.8 | 0 | 0 | 0 | 108.7 | L101 D105 N109 L121 Y138 I139 | L101-F155 HydrophobicContact CD2-CB 3.93Å; L101-F155 HydrophobicContact CD2-CD2 3.32Å; L101-F155 HydrophobicContact CD2-CE2 3.96Å; L101-F155 HydrophobicContact CD2-CG 3.76Å; D105-F155 HydrophobicContact CB-CE2 3.83Å; D105-F155 HydrophobicContact CB-CZ 4.18Å; N109-F155 HydrophobicContact CB-CE1 4.34Å; N109-F155 HydrophobicContact CB-CZ 4Å; L121-F155 HydrophobicContact CB-CE1 4.22Å; L121-F155 HydrophobicContact CD2-CD1 4.41Å; L121-F155 HydrophobicContact CD2-CE1 4.04Å; L121-F155 HydrophobicContact CD2-CE2 4.37Å; L121-F155 HydrophobicContact CD2-CZ 4.02Å; Y138-F155 HydrophobicContact CD1-CB 4.12Å; Y138-F155 HydrophobicContact CG-CB 4.37Å; I139-F155 CarbonylContact O-C 3.6Å; I139-F155 WeakPolarHBondContact O-CA 3.29Å |
| 156 | E | 85.8 | Confident | 81.7 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.6 | 172.7 | -172.5 | 179 | -176.1 | 0 | 0 | 109.1 | Y138 I139 V141 | Y138-E156 CarbonylContact C-O 3.6Å; Y138-E156 VanDerWaalsContact CA-O 3.29Å; Y138-E156 WeakPolarHBondContact CA-O 3.45Å; I139-E156 HydrophobicContact CG2-CB 4.14Å; I139-E156 PolarHBondContact N-O 3.5Å; I139-E156 PolarHBondContact O-N 3.29Å; V141-E156 HydrophobicContact CG2-CB 3.74Å |
| 157 | H | 87.6 | Confident | 82.8 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.6 | 180 | 174.9 | -85.6 | 0 | 0 | 0 | 110.9 | A137 Y138 | A137-H157 WeakPolarHBondContact O-CA 3.47Å; Y138-H157 HydrophobicContact CD1-CB 4.08Å; Y138-H157 HydrophobicContact CE1-CB 3.85Å |
| 158 | V | 89.6 | Confident | 84 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.8 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | V6 Q7 V9 A137 I139 S160 | V6-V158 HydrophobicContact CG1-CG1 4.18Å; Q7-V158 WeakPolarHBondContact O-CG1 3.4Å; V9-V158 HydrophobicContact CG2-CG1 4.22Å; A137-V158 HydrophobicContact CB-CB 4.47Å; A137-V158 PolarHBondContact O-N 3.05Å; I139-V158 HydrophobicContact CB-CG2 3.97Å; I139-V158 HydrophobicContact CG2-CG2 3.6Å; V158-S160 PolarHBondContact O-N 3.31Å |
| 159 | T | 89.4 | Confident | 85 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 124.2 | 179.3 | 57 | 0 | 0 | 0 | 0 | 111.3 | Q7 K8 V9 | Q7-T159 PolarHBondContact O-OG1 3.19Å; Q7-T159 VanDerWaalsContact O-OG1 3.08Å; K8-T159 WeakPolarHBondContact CA-O 3.16Å; V9-T159 PolarHBondContact N-O 3.02Å |
| 160 | S | 89.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 71 Ų | 71 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.1 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | V9 L133 T135 V158 | V9-S160 WeakPolarHBondContact O-CA 3.43Å; L133-S160 WeakPolarHBondContact CD1-O 3.1Å; T135-S160 WeakPolarHBondContact CB-OG 3.48Å; T135-S160 WeakPolarHBondContact O-CB 3.44Å; T135-S160 PolarHBondContact O-OG 3.4Å; T135-S160 PolarHBondContact OG1-OG 3.27Å; V158-S160 PolarHBondContact O-N 3.31Å |
| 161 | E | 90.9 | Very high | 86.4 | Confident | 72 Ų | 72 | 67.1 Ų | 67.1 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 162.6 | 165.8 | 74.1 | 179.6 | 173.7 | 0 | 0 | 111.2 | K8 V9 V10 V11 | K8-E161 WeakPolarHBondContact CE-OE1 3.28Å; K8-E161 WeakPolarHBondContact CE-OE2 3.44Å; K8-E161 IonicContact NZ-OE1 2.6Å; K8-E161 PolarHBondContact NZ-OE1 3.29Å; K8-E161 IonicContact NZ-OE2 2.64Å; K8-E161 PolarHBondContact NZ-OE2 3.45Å; V9-E161 PolarHBondContact O-N 3.47Å; V10-E161 WeakPolarHBondContact CA-O 3.48Å; V10-E161 HydrophobicContact CB-CG 4.48Å; V10-E161 HydrophobicContact CG1-CG 4.41Å; V10-E161 HydrophobicContact CG2-CG 3.94Å; V11-E161 PolarHBondContact N-O 2.96Å |
| 162 | I | 90.4 | Very high | 87 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.3 | 172.5 | -59.4 | 167.4 | 0 | 0 | 0 | 107.1 | V11 P13 L16 L133 | V11-I162 VanDerWaalsContact O-CA 3.3Å; V11-I162 WeakPolarHBondContact O-CA 3.35Å; V11-I162 WeakPolarHBondContact O-CG2 3.49Å; P13-I162 HydrophobicContact CG-CG2 4Å; L16-I162 HydrophobicContact CD1-CD1 3.87Å; L16-I162 HydrophobicContact CD1-CG1 4.28Å; L133-I162 HydrophobicContact CD2-CD1 3.69Å; L133-I162 HydrophobicContact CD2-CG1 3.97Å |
| 163 | G | 88.9 | Confident | 87.5 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | trans | -108.7 | 157.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | V11 H12 P13 | V11-G163 PolarHBondContact O-N 3.01Å; H12-G163 WeakPolarHBondContact CA-O 3.02Å; P13-G163 WeakPolarHBondContact CD-O 3.44Å | ||
| 164 | A | 87 | Confident | 87.8 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | trans | -129.9 | 145 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P13 E169 | P13-A164 HydrophobicContact CG-CB 4.42Å; A164-E169 HydrophobicContact CB-CB 4.39Å | ||
| 165 | E | 87.9 | Confident | 87.9 | Confident | 119 Ų | 119 | 77.5 Ų | 77.5 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | trans | -81.6 | 155.4 | 165.6 | -170.7 | 168.2 | -175.4 | 0 | 0 | 109.9 | A167 E168 E169 | E165-A167 PolarHBondContact O-N 3.47Å; E165-A167 VanDerWaalsContact O-N 3.16Å; E165-E168 CarbonylContact O-C 3.6Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.4Å; E165-E169 PolarHBondContact O-N 3.41Å | ||
| 166 | E | 87.4 | Confident | 87.8 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 76% | 0.757 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -52.9 | -41 | -176.4 | -174.3 | 178 | -179.3 | 0 | 0 | 112.7 | E169 V170 | E166-E169 PolarHBondContact O-N 3.3Å; E166-V170 WeakPolarHBondContact O-CG2 3.42Å; E166-V170 PolarHBondContact O-N 3.49Å |
| 167 | A | 89.4 | Confident | 87.5 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 67% | 0.669 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E165 G171 | E165-A167 PolarHBondContact O-N 3.47Å; E165-A167 VanDerWaalsContact O-N 3.16Å; A167-G171 PolarHBondContact O-N 2.85Å |
| 168 | E | 87.5 | Confident | 86.8 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 15% | 0.154 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 176.5 | -70 | -172.9 | -152.4 | 0 | 0 | 111.5 | H12 P13 L14 E165 V170 G171 V172 | H12-E168 IonicContact CG-OE1 3.47Å; H12-E168 IonicContact CG-OE2 2.95Å; H12-E168 IonicContact ND1-OE1 3.56Å; H12-E168 PolarHBondContact ND1-OE1 3.49Å; H12-E168 IonicContact ND1-OE2 3.1Å; P13-E168 WeakPolarHBondContact CD-OE2 3.42Å; L14-E168 PolarHBondContact N-OE2 3.47Å; E165-E168 CarbonylContact O-C 3.6Å; E165-E168 WeakPolarHBondContact O-CA 3.47Å; E165-E168 WeakPolarHBondContact O-CB 3.41Å; E165-E168 PolarHBondContact O-N 3.4Å; E168-V170 VanDerWaalsContact C-N 3.35Å; E168-V170 PolarHBondContact O-N 3Å; E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.12Å; E168-V172 WeakPolarHBondContact O-CB 3.47Å; E168-V172 WeakPolarHBondContact O-CG2 3.46Å; E168-V172 PolarHBondContact O-N 3.35Å |
| 169 | E | 85.1 | Confident | 86.1 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.5 | -46.9 | 179.7 | -174.9 | 170.6 | -168 | 0 | 0 | 111.1 | A164 E165 E166 G171 V172 E173 | A164-E169 HydrophobicContact CB-CB 4.39Å; E165-E169 PolarHBondContact O-N 3.41Å; E166-E169 PolarHBondContact O-N 3.3Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 2.98Å; E169-V172 PolarHBondContact O-N 3.34Å; E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 3.35Å |
| 170 | V | 88.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 93.7 Ų | 93.7 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 176 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | E166 E168 H174 | E166-V170 WeakPolarHBondContact O-CG2 3.42Å; E166-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact C-N 3.35Å; E168-V170 PolarHBondContact O-N 3Å; V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 3.48Å |
| 171 | G | 87.8 | Confident | 83.4 | Confident | 35 Ų | 35 | 98.6 Ų | 98.6 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A167 E168 E169 H174 L175 | A167-G171 PolarHBondContact O-N 2.85Å; E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.12Å; E169-G171 VanDerWaalsContact C-N 3.31Å; E169-G171 PolarHBondContact O-N 2.98Å; G171-H174 PolarHBondContact O-N 3.32Å; G171-L175 WeakPolarHBondContact O-CG 3.3Å; G171-L175 PolarHBondContact O-N 2.94Å; G171-L175 VanDerWaalsContact O-N 3.1Å |
| 172 | V | 87.8 | Confident | 82 | Confident | 49 Ų | 49 | 101.4 Ų | 101.4 | 30% | 0.297 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | P13 E168 E169 H174 L175 L176 | P13-V172 HydrophobicContact CB-CG2 4.01Å; P13-V172 HydrophobicContact CG-CG2 4.33Å; E168-V172 WeakPolarHBondContact O-CB 3.47Å; E168-V172 WeakPolarHBondContact O-CG2 3.46Å; E168-V172 PolarHBondContact O-N 3.35Å; E169-V172 PolarHBondContact O-N 3.34Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.39Å; V172-L175 PolarHBondContact O-N 2.97Å; V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 2.79Å |
| 173 | E | 85.1 | Confident | 80.6 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.8 | -43.4 | 175.4 | -174.3 | 178.8 | -164.3 | 0 | 0 | 111.3 | E169 L175 L176 R177 | E169-E173 VanDerWaalsContact O-CB 3.27Å; E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 3.35Å; E173-L175 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 3.1Å; E173-R177 PolarHBondContact O-N 3.15Å |
| 174 | H | 87.2 | Confident | 79.4 | Confident | 138 Ų | 138 | 106.5 Ų | 106.5 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.3 | -44.1 | 177 | -170.7 | 72.9 | 0 | 0 | 0 | 112.4 | V170 G171 V172 L176 R177 | V170-H174 WeakPolarHBondContact O-CB 3.37Å; V170-H174 PolarHBondContact O-N 3.48Å; G171-H174 PolarHBondContact O-N 3.32Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.39Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.42Å; H174-R177 WeakPolarHBondContact O-CB 3.39Å; H174-R177 PolarHBondContact O-N 2.89Å |
| 175 | L | 86 | Confident | 79 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67 | -28.9 | 178.3 | -68.2 | 172.2 | 0 | 0 | 0 | 113 | G171 V172 E173 | G171-L175 WeakPolarHBondContact O-CG 3.3Å; G171-L175 PolarHBondContact O-N 2.94Å; G171-L175 VanDerWaalsContact O-N 3.1Å; V172-L175 PolarHBondContact O-N 2.97Å; E173-L175 PolarHBondContact O-N 3.32Å |
| 176 | L | 84.8 | Confident | 78.7 | Confident | 50 Ų | 50 | 105.5 Ų | 105.5 | 26% | 0.262 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | 4.4 | -177.7 | -67.7 | 178.5 | 0 | 0 | 0 | 113.9 | V172 E173 H174 D178 I179 K180 | V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 HydrophobicContact CG1-CG 4.24Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 VanDerWaalsContact O-CG 3.29Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 2.79Å; E173-L176 PolarHBondContact O-N 3.1Å; H174-L176 VanDerWaalsContact C-N 3.28Å; H174-L176 PolarHBondContact O-N 3.42Å; L176-D178 PolarHBondContact O-N 2.9Å; L176-D178 VanDerWaalsContact O-N 3.14Å; L176-I179 HydrophobicContact CD2-CB 4.47Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 PolarHBondContact O-N 3.21Å; L176-K180 HydrophobicContact CB-CD 4.22Å; L176-K180 HydrophobicContact CB-CG 4.24Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 PolarHBondContact O-N 3.45Å |
| 177 | R | 80.3 | Confident | 78.6 | Confident | 193 Ų | 193 | 103.6 Ų | 103.6 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -29.7 | -178.8 | -169.3 | 176.5 | -178.5 | -173.5 | 0.7 | 113.3 | E173 H174 | E173-R177 PolarHBondContact O-N 3.15Å; H174-R177 WeakPolarHBondContact O-CB 3.39Å; H174-R177 PolarHBondContact O-N 2.89Å |
| 178 | D | 73.2 | Confident | 78.3 | Confident | 159 Ų | 159 | 102.6 Ų | 102.6 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -13.7 | -179.7 | -63.7 | -20.7 | 0 | 0 | 0 | 113.4 | L176 | L176-D178 PolarHBondContact O-N 2.9Å; L176-D178 VanDerWaalsContact O-N 3.14Å |
| 179 | I | 73.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 68% | 0.677 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -37 | -173.7 | -59.8 | 174.9 | 0 | 0 | 0 | 111.5 | L176 D181 | L176-I179 HydrophobicContact CD2-CB 4.47Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 PolarHBondContact O-N 3.21Å; I179-D181 PolarHBondContact O-N 3.34Å |
| 180 | K | 64.1 | Low | 78.3 | Confident | 125 Ų | 125 | 109.4 Ų | 109.4 | 54% | 0.543 | 58% | 0.579 | S | S | . | * | trans | -80.2 | 108.3 | 177.9 | -83.4 | -176.5 | 175.4 | 178.8 | 0 | 109.5 | L176 T182 | L176-K180 HydrophobicContact CB-CD 4.22Å; L176-K180 HydrophobicContact CB-CG 4.24Å; L176-K180 HydrophobicContact CD1-CD 4.38Å; L176-K180 PolarHBondContact O-N 3.45Å; K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.1Å; K180-T182 PolarHBondContact O-OG1 3.07Å | ||
| 181 | D | 58.3 | Low | 78.3 | Confident | 120 Ų | 120 | 109 Ų | 109 | 64% | 0.642 | 57% | 0.573 | S | S | * | * | trans | -66.6 | 87.7 | 161.5 | -81.3 | -40.6 | 0 | 0 | 0 | 109.5 | I179 T183 V184 | I179-D181 PolarHBondContact O-N 3.34Å; D181-T183 PolarHBondContact O-N 2.97Å; D181-V184 HydrophobicContact CB-CG2 3.75Å; D181-V184 WeakPolarHBondContact O-CG2 3.47Å; D181-V184 PolarHBondContact O-N 2.9Å; D181-V184 VanDerWaalsContact O-N 3.14Å | ||
| 182 | T | 61.7 | Low | 78.3 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 81% | 0.81 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -5.7 | 172.2 | -26.4 | 0 | 0 | 0 | 0 | 112.5 | K180 | K180-T182 VanDerWaalsContact C-N 3.27Å; K180-T182 PolarHBondContact O-N 3.1Å; K180-T182 PolarHBondContact O-OG1 3.07Å |
| 183 | T | 61.2 | Low | 78.2 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.3 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | D181 G185 | D181-T183 PolarHBondContact O-N 2.97Å; T183-G185 PolarHBondContact O-N 3.1Å; T183-G185 VanDerWaalsContact O-N 3.1Å |
| 184 | V | 64.3 | Low | 78.5 | Confident | 68 Ų | 68 | 113.4 Ų | 113.4 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -71 | 107.7 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | D181 Q189 | D181-V184 HydrophobicContact CB-CG2 3.75Å; D181-V184 WeakPolarHBondContact O-CG2 3.47Å; D181-V184 PolarHBondContact O-N 2.9Å; D181-V184 VanDerWaalsContact O-N 3.14Å; V184-Q189 HydrophobicContact CG1-CB 4.47Å |
| 185 | G | 77.1 | Confident | 78.6 | Confident | 41 Ų | 41 | 110.1 Ų | 110.1 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | trans | -56.6 | 155.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T183 L187 S188 Q189 | T183-G185 PolarHBondContact O-N 3.1Å; T183-G185 VanDerWaalsContact O-N 3.1Å; G185-L187 PolarHBondContact O-N 2.73Å; G185-S188 PolarHBondContact O-N 3.14Å; G185-Q189 PolarHBondContact O-N 3.24Å; G185-Q189 VanDerWaalsContact O-N 3.14Å | ||
| 186 | T | 82.9 | Confident | 78.7 | Confident | 110 Ų | 110 | 108.2 Ų | 108.2 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -53.7 | -30.7 | -177.5 | 56 | 0 | 0 | 0 | 0 | 113.9 | R190 | T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 2.96Å |
| 187 | L | 83.4 | Confident | 78.9 | Confident | 122 Ų | 122 | 108 Ų | 108 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -49.7 | 175.2 | 178.1 | 61.5 | 0 | 0 | 0 | 111.9 | G185 Q189 R190 I191 | G185-L187 PolarHBondContact O-N 2.73Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 3.06Å; L187-R190 PolarHBondContact O-N 3.13Å; L187-R190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CD1-CD1 4.08Å; L187-I191 HydrophobicContact CD1-CG1 4.36Å; L187-I191 HydrophobicContact CG-CD1 3.99Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 3.36Å |
| 188 | S | 84.4 | Confident | 79.4 | Confident | 61 Ų | 61 | 104.5 Ų | 104.5 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -41.3 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | G185 R190 I191 T192 | G185-S188 PolarHBondContact O-N 3.14Å; S188-R190 PolarHBondContact O-N 3.31Å; S188-I191 PolarHBondContact O-N 2.86Å; S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.36Å; S188-T192 PolarHBondContact O-OG1 2.98Å |
| 189 | Q | 84.5 | Confident | 80.2 | Confident | 114 Ų | 114 | 102.8 Ų | 102.8 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -42.4 | 174.9 | -166.9 | -178.2 | 12 | 0 | 0 | 112.3 | V184 G185 L187 T192 N193 | V184-Q189 HydrophobicContact CG1-CB 4.47Å; G185-Q189 PolarHBondContact O-N 3.24Å; G185-Q189 VanDerWaalsContact O-N 3.14Å; L187-Q189 VanDerWaalsContact C-N 3.3Å; L187-Q189 PolarHBondContact O-N 3.06Å; Q189-T192 PolarHBondContact O-N 2.88Å; Q189-N193 PolarHBondContact O-N 2.94Å; Q189-N193 PolarHBondContact O-OD1 3.28Å |
| 190 | R | 86.8 | Confident | 80.9 | Confident | 181 Ų | 181 | 97.5 Ų | 97.5 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -42 | 176.5 | -75.1 | 176.4 | -177.8 | -148.7 | 1.2 | 112.5 | T186 L187 S188 N193 Q194 | T186-R190 VanDerWaalsContact O-CG 3.3Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 2.96Å; L187-R190 PolarHBondContact O-N 3.13Å; L187-R190 VanDerWaalsContact O-N 3.17Å; S188-R190 PolarHBondContact O-N 3.31Å; R190-N193 PolarHBondContact O-N 3.26Å; R190-Q194 PolarHBondContact O-N 3.43Å |
| 191 | I | 89.7 | Confident | 82.2 | Confident | 85 Ų | 85 | 96 Ų | 96 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.1 | -67.5 | 169.5 | 0 | 0 | 0 | 109.7 | L187 S188 N193 Q194 V195 | L187-I191 HydrophobicContact CD1-CD1 4.08Å; L187-I191 HydrophobicContact CD1-CG1 4.36Å; L187-I191 HydrophobicContact CG-CD1 3.99Å; L187-I191 WeakPolarHBondContact O-CG1 3.46Å; L187-I191 PolarHBondContact O-N 3.36Å; S188-I191 PolarHBondContact O-N 2.86Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.95Å; I191-Q194 PolarHBondContact O-N 3.41Å; I191-Q194 VanDerWaalsContact O-N 3.12Å; I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.42Å |
| 192 | T | 87 | Confident | 83.7 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.3 | -44.6 | 175.2 | -61.8 | 0 | 0 | 0 | 0 | 111 | S188 Q189 Q194 V195 H196 | S188-T192 WeakPolarHBondContact O-CB 3.47Å; S188-T192 PolarHBondContact O-N 3.36Å; S188-T192 PolarHBondContact O-OG1 2.98Å; Q189-T192 PolarHBondContact O-N 2.88Å; T192-Q194 PolarHBondContact O-N 3.28Å; T192-V195 PolarHBondContact O-N 3.22Å; T192-H196 WeakPolarHBondContact CG2-CE1 3.07Å; T192-H196 VanDerWaalsContact CG2-ND1 3.33Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.27Å; T192-H196 WeakPolarHBondContact O-CB 3.45Å; T192-H196 PolarHBondContact O-N 3.08Å; T192-H196 PolarHBondContact O-ND1 3.22Å |
| 193 | N | 87.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.8 | -68.5 | -8.1 | 0 | 0 | 0 | 112.6 | Q189 R190 I191 H196 G197 | Q189-N193 PolarHBondContact O-N 2.94Å; Q189-N193 PolarHBondContact O-OD1 3.28Å; R190-N193 PolarHBondContact O-N 3.26Å; I191-N193 VanDerWaalsContact C-N 3.29Å; I191-N193 PolarHBondContact O-N 2.95Å; N193-H196 PolarHBondContact O-N 3.24Å; N193-G197 PolarHBondContact O-N 2.6Å |
| 194 | Q | 89.8 | Confident | 86.4 | Confident | 141 Ų | 141 | 93.3 Ų | 93.3 | 66% | 0.659 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 175.2 | -72.6 | -178.8 | -18.2 | 0 | 0 | 111.9 | R190 I191 T192 G197 L198 | R190-Q194 PolarHBondContact O-N 3.43Å; I191-Q194 PolarHBondContact O-N 3.41Å; I191-Q194 VanDerWaalsContact O-N 3.12Å; T192-Q194 PolarHBondContact O-N 3.28Å; Q194-G197 PolarHBondContact O-N 2.64Å; Q194-L198 PolarHBondContact O-N 3.24Å |
| 195 | V | 90.6 | Very high | 87.7 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I191 T192 G197 L198 K199 | I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.42Å; T192-V195 PolarHBondContact O-N 3.22Å; V195-G197 VanDerWaalsContact C-N 3.33Å; V195-L198 PolarHBondContact O-N 3.4Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.04Å |
| 196 | H | 86.8 | Confident | 88.5 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 40% | 0.403 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.1 | -76.7 | 73.4 | 0 | 0 | 0 | 111.5 | L131 T192 N193 L198 K199 G200 | L131-H196 HydrophobicContact CD1-CB 4.46Å; L131-H196 WeakPolarHBondContact CD1-CD2 3.42Å; T192-H196 WeakPolarHBondContact CG2-CE1 3.07Å; T192-H196 VanDerWaalsContact CG2-ND1 3.33Å; T192-H196 WeakPolarHBondContact CG2-ND1 3.27Å; T192-H196 WeakPolarHBondContact O-CB 3.45Å; T192-H196 PolarHBondContact O-N 3.08Å; T192-H196 PolarHBondContact O-ND1 3.22Å; N193-H196 PolarHBondContact O-N 3.24Å; H196-L198 PolarHBondContact O-N 3.06Å; H196-K199 PolarHBondContact O-N 2.88Å; H196-G200 PolarHBondContact O-N 2.96Å |
| 197 | G | 90.2 | Very high | 88.8 | Confident | 46 Ų | 46 | 96.9 Ų | 96.9 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N193 Q194 V195 G200 L201 | N193-G197 PolarHBondContact O-N 2.6Å; Q194-G197 PolarHBondContact O-N 2.64Å; V195-G197 VanDerWaalsContact C-N 3.33Å; G197-G200 PolarHBondContact O-N 3.46Å; G197-L201 PolarHBondContact O-N 3.49Å |
| 198 | L | 91.1 | Very high | 89.2 | Confident | 120 Ų | 120 | 94.2 Ų | 94.2 | 63% | 0.628 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.1 | -72.3 | 173.9 | 0 | 0 | 0 | 112.6 | Q194 V195 H196 G200 L201 N202 | Q194-L198 PolarHBondContact O-N 3.24Å; V195-L198 PolarHBondContact O-N 3.4Å; H196-L198 PolarHBondContact O-N 3.06Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 3.16Å; L198-L201 PolarHBondContact O-N 3.35Å; L198-N202 PolarHBondContact O-N 3.04Å |
| 199 | K | 89.5 | Confident | 89.6 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.4 | -73.8 | -177 | 177.8 | -177 | 0 | 111.5 | L131 V195 H196 N202 S203 | L131-K199 HydrophobicContact CD1-CB 4.38Å; L131-K199 HydrophobicContact CD1-CD 4.44Å; L131-K199 HydrophobicContact CD2-CB 3.55Å; V195-K199 WeakPolarHBondContact O-CG 3.38Å; V195-K199 PolarHBondContact O-N 3.04Å; H196-K199 PolarHBondContact O-N 2.88Å; K199-N202 PolarHBondContact O-N 3.34Å; K199-S203 PolarHBondContact O-N 2.98Å; K199-S203 VanDerWaalsContact O-N 3.07Å |
| 200 | G | 88.3 | Confident | 90 | Very high | 21 Ų | 21 | 95.9 Ų | 95.9 | 22% | 0.216 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L131 H196 G197 L198 N202 S203 K204 | L131-G200 VanDerWaalsContact CD2-CA 3.49Å; H196-G200 PolarHBondContact O-N 2.96Å; G197-G200 PolarHBondContact O-N 3.46Å; L198-G200 VanDerWaalsContact C-N 3.3Å; L198-G200 PolarHBondContact O-N 3.16Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 3.29Å; G200-S203 PolarHBondContact O-N 3.42Å; G200-K204 WeakPolarHBondContact O-CG 3.29Å; G200-K204 PolarHBondContact O-N 3Å; G200-K204 VanDerWaalsContact O-N 3.08Å |
| 201 | L | 90.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.2 | -178.8 | 62 | 0 | 0 | 0 | 111.5 | G197 L198 S203 K204 L205 | G197-L201 PolarHBondContact O-N 3.49Å; L198-L201 PolarHBondContact O-N 3.35Å; L201-S203 PolarHBondContact O-N 2.95Å; L201-K204 PolarHBondContact O-N 3.44Å; L201-L205 HydrophobicContact CD1-CD1 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 3.06Å |
| 202 | N | 91.8 | Very high | 90.2 | Very high | 112 Ų | 112 | 88.6 Ų | 88.6 | 60% | 0.599 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 177.9 | -174.1 | 42.2 | 0 | 0 | 0 | 112.3 | L198 K199 G200 L205 L206 | L198-N202 PolarHBondContact O-N 3.04Å; K199-N202 PolarHBondContact O-N 3.34Å; G200-N202 VanDerWaalsContact C-N 3.34Å; G200-N202 PolarHBondContact O-N 3.29Å; N202-L205 PolarHBondContact O-N 3.43Å; N202-L206 WeakPolarHBondContact O-CB 3.48Å; N202-L206 PolarHBondContact O-N 3.11Å |
| 203 | S | 89.4 | Confident | 90.5 | Very high | 61 Ų | 61 | 91.1 Ų | 91.1 | 43% | 0.427 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 175.3 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | K199 G200 L201 L205 L206 D207 | K199-S203 PolarHBondContact O-N 2.98Å; K199-S203 VanDerWaalsContact O-N 3.07Å; G200-S203 PolarHBondContact O-N 3.42Å; L201-S203 PolarHBondContact O-N 2.95Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.05Å; S203-L206 WeakPolarHBondContact O-CB 3.48Å; S203-L206 PolarHBondContact O-N 3.31Å; S203-L206 VanDerWaalsContact O-N 3.1Å; S203-D207 PolarHBondContact O-N 3.01Å |
| 204 | K | 88.2 | Confident | 90.7 | Very high | 146 Ų | 146 | 91 Ų | 91 | 64% | 0.635 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 179.9 | -71.1 | -176.4 | 177.6 | -170.7 | 0 | 112.7 | G200 L201 L206 D207 I208 | G200-K204 WeakPolarHBondContact O-CG 3.29Å; G200-K204 PolarHBondContact O-N 3Å; G200-K204 VanDerWaalsContact O-N 3.08Å; L201-K204 PolarHBondContact O-N 3.44Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.06Å; K204-D207 PolarHBondContact O-N 3.39Å; K204-I208 WeakPolarHBondContact O-CG1 2.86Å; K204-I208 PolarHBondContact O-N 3.19Å |
| 205 | L | 91.9 | Very high | 90.7 | Very high | 97 Ų | 97 | 85.4 Ų | 85.4 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.1 | -71.9 | 175.9 | 0 | 0 | 0 | 111.9 | L201 N202 S203 I208 R209 | L201-L205 HydrophobicContact CD1-CD1 4.39Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.11Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.39Å; L201-L205 PolarHBondContact O-N 3.06Å; N202-L205 PolarHBondContact O-N 3.43Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.05Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.38Å |
| 206 | L | 93.8 | Very high | 90.7 | Very high | 101 Ų | 101 | 86.4 Ų | 86.4 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 175.4 | -167.5 | 67.9 | 0 | 0 | 0 | 111.7 | N202 S203 K204 R209 S210 | N202-L206 WeakPolarHBondContact O-CB 3.48Å; N202-L206 PolarHBondContact O-N 3.11Å; S203-L206 WeakPolarHBondContact O-CB 3.48Å; S203-L206 PolarHBondContact O-N 3.31Å; S203-L206 VanDerWaalsContact O-N 3.1Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.06Å; L206-R209 WeakPolarHBondContact O-CB 3.09Å; L206-R209 PolarHBondContact O-N 2.9Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.48Å |
| 207 | D | 89.5 | Confident | 91 | Very high | 96 Ų | 96 | 86.3 Ų | 86.3 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175.5 | -65.5 | -36.6 | 0 | 0 | 0 | 111.8 | S203 K204 R209 S210 Y211 | S203-D207 PolarHBondContact O-N 3.01Å; K204-D207 PolarHBondContact O-N 3.39Å; D207-R209 VanDerWaalsContact C-N 3.33Å; D207-R209 PolarHBondContact O-N 3.32Å; D207-S210 WeakPolarHBondContact O-CB 3.15Å; D207-S210 PolarHBondContact O-N 3.17Å; D207-Y211 PolarHBondContact O-N 3.36Å |
| 208 | I | 91.9 | Very high | 90.8 | Very high | 65 Ų | 65 | 87.1 Ų | 87.1 | 33% | 0.333 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 173.6 | -68.7 | 165.7 | 0 | 0 | 0 | 110.3 | K204 L205 S210 Y211 L212 L230 | K204-I208 WeakPolarHBondContact O-CG1 2.86Å; K204-I208 PolarHBondContact O-N 3.19Å; L205-I208 PolarHBondContact O-N 3.38Å; I208-S210 PolarHBondContact O-N 3.11Å; I208-Y211 PolarHBondContact O-N 3Å; I208-L212 HydrophobicContact CG2-CD1 4.11Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 2.87Å; I208-L230 HydrophobicContact CD1-CD2 3.96Å; I208-L230 HydrophobicContact CG1-CD2 4.24Å; I208-L230 HydrophobicContact CG2-CD1 4.04Å; I208-L230 HydrophobicContact CG2-CD2 3.63Å |
| 209 | R | 92.7 | Very high | 90.6 | Very high | 166 Ų | 166 | 89.5 Ų | 89.5 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.4 | -46.3 | 176.1 | -179.9 | -174.4 | 172 | -176.2 | -0.8 | 111.4 | L205 L206 D207 Y211 L212 E213 | L205-R209 WeakPolarHBondContact O-CB 3.46Å; L205-R209 PolarHBondContact O-N 3.38Å; L206-R209 WeakPolarHBondContact O-CB 3.09Å; L206-R209 PolarHBondContact O-N 2.9Å; D207-R209 VanDerWaalsContact C-N 3.33Å; D207-R209 PolarHBondContact O-N 3.32Å; R209-Y211 VanDerWaalsContact C-N 3.3Å; R209-Y211 PolarHBondContact O-N 3.26Å; R209-L212 PolarHBondContact O-N 3.49Å; R209-E213 WeakPolarHBondContact O-CB 3.35Å; R209-E213 PolarHBondContact O-N 3.01Å |
| 210 | S | 92.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 87.5 Ų | 87.5 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 112 | L206 D207 I208 K214 | L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 3.48Å; D207-S210 WeakPolarHBondContact O-CB 3.15Å; D207-S210 PolarHBondContact O-N 3.17Å; I208-S210 PolarHBondContact O-N 3.11Å; S210-K214 VanDerWaalsContact O-CG 3.3Å; S210-K214 WeakPolarHBondContact O-CG 3.16Å; S210-K214 PolarHBondContact O-N 3.46Å; S210-K214 VanDerWaalsContact O-N 3.15Å |
| 211 | Y | 90.5 | Very high | 89.7 | Confident | 41 Ų | 41 | 92 Ų | 92 | 16% | 0.161 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.7 | -51.8 | 174.8 | 174.6 | -104.5 | 0 | 0 | 0 | 111.6 | D207 I208 R209 E213 K214 V215 L220 N223 I226 | D207-Y211 PolarHBondContact O-N 3.36Å; I208-Y211 PolarHBondContact O-N 3Å; R209-Y211 VanDerWaalsContact C-N 3.3Å; R209-Y211 PolarHBondContact O-N 3.26Å; Y211-E213 VanDerWaalsContact C-N 3.28Å; Y211-E213 PolarHBondContact O-N 3.37Å; Y211-K214 WeakPolarHBondContact O-CB 3.43Å; Y211-K214 PolarHBondContact O-N 2.74Å; Y211-K214 VanDerWaalsContact O-N 3.1Å; Y211-V215 HydrophobicContact CD1-CG2 4.36Å; Y211-V215 HydrophobicContact CD2-CG2 4.29Å; Y211-V215 HydrophobicContact CE1-CG2 3.91Å; Y211-V215 HydrophobicContact CE2-CG2 3.82Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.89Å; Y211-L220 HydrophobicContact CE2-CD2 4.15Å; Y211-N223 PolarHBondContact OH-N 2.84Å; Y211-I226 HydrophobicContact CD1-CG2 4.3Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.84Å |
| 212 | L | 90.4 | Very high | 89.3 | Confident | 71 Ų | 71 | 91.7 Ų | 91.7 | 37% | 0.372 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 179.7 | -69 | 177.1 | 0 | 0 | 0 | 112.4 | I208 R209 V215 A216 L230 | I208-L212 HydrophobicContact CG2-CD1 4.11Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 2.87Å; R209-L212 PolarHBondContact O-N 3.49Å; L212-V215 PolarHBondContact O-N 3.21Å; L212-A216 VanDerWaalsContact O-CB 3.27Å; L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 2.83Å; L212-L230 HydrophobicContact CD1-CD1 4.46Å; L212-L230 HydrophobicContact CD2-CD1 4.07Å; L212-L230 HydrophobicContact CG-CD1 4.44Å |
| 213 | E | 94.1 | Very high | 88.9 | Confident | 116 Ų | 116 | 89.4 Ų | 89.4 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.1 | -174.2 | 173 | -165.2 | 0 | 0 | 112.3 | R209 Y211 A216 T217 | R209-E213 WeakPolarHBondContact O-CB 3.35Å; R209-E213 PolarHBondContact O-N 3.01Å; Y211-E213 VanDerWaalsContact C-N 3.28Å; Y211-E213 PolarHBondContact O-N 3.37Å; E213-A216 PolarHBondContact O-N 2.94Å; E213-T217 WeakPolarHBondContact O-CB 3.23Å; E213-T217 WeakPolarHBondContact O-CG2 3.45Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 2.88Å |
| 214 | K | 91 | Very high | 88.5 | Confident | 94 Ų | 94 | 90.6 Ų | 90.6 | 41% | 0.409 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 175.6 | -73.2 | 169 | -173.5 | 164.6 | 0 | 112.7 | S210 Y211 T217 G218 K219 | S210-K214 VanDerWaalsContact O-CG 3.3Å; S210-K214 WeakPolarHBondContact O-CG 3.16Å; S210-K214 PolarHBondContact O-N 3.46Å; S210-K214 VanDerWaalsContact O-N 3.15Å; Y211-K214 WeakPolarHBondContact O-CB 3.43Å; Y211-K214 PolarHBondContact O-N 2.74Å; Y211-K214 VanDerWaalsContact O-N 3.1Å; K214-T217 WeakPolarHBondContact CA-OG1 3.36Å; K214-T217 PolarHBondContact O-OG1 2.88Å; K214-G218 PolarHBondContact O-N 2.94Å; K214-K219 PolarHBondContact O-N 3.06Å |
| 215 | V | 89.9 | Confident | 88.3 | Confident | 23 Ų | 23 | 88.9 Ų | 88.9 | 14% | 0.139 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.9 | -45.4 | 175.6 | 173 | 0 | 0 | 0 | 0 | 110.5 | Y211 L212 T217 G218 I222 | Y211-V215 HydrophobicContact CD1-CG2 4.36Å; Y211-V215 HydrophobicContact CD2-CG2 4.29Å; Y211-V215 HydrophobicContact CE1-CG2 3.91Å; Y211-V215 HydrophobicContact CE2-CG2 3.82Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.89Å; L212-V215 PolarHBondContact O-N 3.21Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.63Å; V215-G218 PolarHBondContact O-N 3.14Å; V215-I222 HydrophobicContact CG1-CB 4.49Å; V215-I222 HydrophobicContact CG1-CD1 4.4Å; V215-I222 HydrophobicContact CG1-CG1 3.49Å; V215-I222 VanDerWaalsContact CG1-CG1 3.49Å |
| 216 | A | 90.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 87.1 Ų | 87.1 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L212 E213 G218 | L212-A216 VanDerWaalsContact O-CB 3.27Å; L212-A216 WeakPolarHBondContact O-CB 3.28Å; L212-A216 PolarHBondContact O-N 2.83Å; E213-A216 PolarHBondContact O-N 2.94Å; A216-G218 VanDerWaalsContact C-N 3.25Å; A216-G218 PolarHBondContact O-N 2.72Å |
| 217 | T | 92.9 | Very high | 87.8 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.2 | 174.3 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | E213 K214 V215 K219 | E213-T217 WeakPolarHBondContact O-CB 3.23Å; E213-T217 WeakPolarHBondContact O-CG2 3.45Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 2.88Å; K214-T217 WeakPolarHBondContact CA-OG1 3.36Å; K214-T217 PolarHBondContact O-OG1 2.88Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 2.63Å; T217-K219 VanDerWaalsContact C-N 3.3Å; T217-K219 PolarHBondContact O-N 3.28Å |
| 218 | G | 85.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 15.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | K214 V215 A216 | K214-G218 PolarHBondContact O-N 2.94Å; V215-G218 PolarHBondContact O-N 3.14Å; A216-G218 VanDerWaalsContact C-N 3.25Å; A216-G218 PolarHBondContact O-N 2.72Å |
| 219 | K | 85.9 | Confident | 87.7 | Confident | 169 Ų | 169 | 88.9 Ų | 88.9 | 74% | 0.735 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -79.5 | -23.3 | -179.5 | -69.4 | -177.3 | 179.8 | 177.2 | 0 | 113.5 | K214 T217 | K214-K219 PolarHBondContact O-N 3.06Å; T217-K219 VanDerWaalsContact C-N 3.3Å; T217-K219 PolarHBondContact O-N 3.28Å |
| 220 | L | 79.4 | Confident | 87.6 | Confident | 81 Ų | 81 | 82.1 Ų | 82.1 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -124.8 | 142.8 | 178.7 | -121 | 87.7 | 0 | 0 | 0 | 109.8 | Y211 | Y211-L220 HydrophobicContact CE2-CD2 4.15Š|
| 221 | P | 80.3 | Confident | 87.5 | Confident | 114 Ų | 114 | 85 Ų | 85 | 74% | 0.74 | 45% | 0.448 | S | S | * | . | trans | -61.9 | 146 | 168.3 | 26 | -33 | 0 | 0 | 0 | 110.9 | N223 | P221-N223 PolarHBondContact O-N 3.14Š| ||
| 222 | I | 81.8 | Confident | 87.6 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 46% | 0.456 | 46% | 0.464 | S | S | . | . | trans | -71.8 | 125.1 | 179.9 | -66.2 | 161.2 | 0 | 0 | 0 | 108.9 | V215 I227 | V215-I222 HydrophobicContact CG1-CB 4.49Å; V215-I222 HydrophobicContact CG1-CD1 4.4Å; V215-I222 HydrophobicContact CG1-CG1 3.49Å; V215-I222 VanDerWaalsContact CG1-CG1 3.49Å; I222-I227 HydrophobicContact CG2-CD1 3.43Å; I222-I227 VanDerWaalsContact CG2-CD1 3.43Å; I222-I227 HydrophobicContact CG2-CG1 4.47Å | ||
| 223 | N | 82.8 | Confident | 87.7 | Confident | 63 Ų | 63 | 88.3 Ų | 88.3 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | trans | -94.9 | 105.5 | 165.1 | -173.3 | -23.8 | 0 | 0 | 0 | 108.7 | Y211 P221 Q225 I226 I227 | Y211-N223 PolarHBondContact OH-N 2.84Å; P221-N223 PolarHBondContact O-N 3.14Å; N223-Q225 VanDerWaalsContact C-N 3.25Å; N223-Q225 PolarHBondContact O-N 2.73Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.15Å; N223-Q225 PolarHBondContact OD1-N 2.96Å; N223-I226 HydrophobicContact CB-CD1 4.01Å; N223-I226 HydrophobicContact CB-CG1 4.19Å; N223-I226 PolarHBondContact O-N 3.37Å; N223-I227 PolarHBondContact O-N 3.18Å | ||
| 224 | H | 83.1 | Confident | 87.4 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.3 | -35.3 | -177.8 | -62.9 | 94.3 | 0 | 0 | 0 | 112.6 | I226 I227 Y228 | H224-I226 VanDerWaalsContact C-N 3.35Å; H224-I226 PolarHBondContact O-N 3.03Å; H224-I227 PolarHBondContact O-N 3.02Å; H224-Y228 HydrophobicContact CB-CE2 4.08Å; H224-Y228 WeakPolarHBondContact O-CD2 3.04Å; H224-Y228 VanDerWaalsContact O-CG 3.31Å; H224-Y228 PolarHBondContact O-N 3.38Å |
| 225 | Q | 83.4 | Confident | 87.4 | Confident | 110 Ų | 110 | 90.2 Ų | 90.2 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | -179.6 | -174.4 | 61.7 | 19.4 | 0 | 0 | 111.9 | N223 I227 Y228 Q229 | N223-Q225 VanDerWaalsContact C-N 3.25Å; N223-Q225 PolarHBondContact O-N 2.73Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.15Å; N223-Q225 PolarHBondContact OD1-N 2.96Å; Q225-I227 VanDerWaalsContact C-N 3.33Å; Q225-I227 PolarHBondContact O-N 2.99Å; Q225-Y228 PolarHBondContact O-N 2.96Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.01Å |
| 226 | I | 86.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 95.9 Ų | 95.9 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.9 | -61.8 | 177.7 | 0 | 0 | 0 | 110.1 | Y211 N223 H224 Q229 L230 | Y211-I226 HydrophobicContact CD1-CG2 4.3Å; Y211-I226 HydrophobicContact CE1-CB 4.37Å; Y211-I226 HydrophobicContact CE1-CG2 3.84Å; N223-I226 HydrophobicContact CB-CD1 4.01Å; N223-I226 HydrophobicContact CB-CG1 4.19Å; N223-I226 PolarHBondContact O-N 3.37Å; H224-I226 VanDerWaalsContact C-N 3.35Å; H224-I226 PolarHBondContact O-N 3.03Å; I226-Q229 PolarHBondContact O-N 2.95Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CB 3.5Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 2.8Å |
| 227 | I | 88.5 | Confident | 87.2 | Confident | 60 Ų | 60 | 96.9 Ų | 96.9 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 179.5 | -63.2 | -175.9 | 0 | 0 | 0 | 111.1 | I222 N223 H224 Q225 L230 Q231 | I222-I227 HydrophobicContact CG2-CD1 3.43Å; I222-I227 VanDerWaalsContact CG2-CD1 3.43Å; I222-I227 HydrophobicContact CG2-CG1 4.47Å; N223-I227 PolarHBondContact O-N 3.18Å; H224-I227 PolarHBondContact O-N 3.02Å; Q225-I227 VanDerWaalsContact C-N 3.33Å; Q225-I227 PolarHBondContact O-N 2.99Å; I227-L230 PolarHBondContact O-N 3.41Å; I227-Q231 PolarHBondContact O-N 3.15Å |
| 228 | Y | 90 | Very high | 86.8 | Confident | 130 Ų | 130 | 97.8 Ų | 97.8 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.3 | -62.9 | -30.8 | 0 | 0 | 0 | 111.8 | H224 Q225 L230 Q231 D232 | H224-Y228 HydrophobicContact CB-CE2 4.08Å; H224-Y228 WeakPolarHBondContact O-CD2 3.04Å; H224-Y228 VanDerWaalsContact O-CG 3.31Å; H224-Y228 PolarHBondContact O-N 3.38Å; Q225-Y228 PolarHBondContact O-N 2.96Å; Y228-L230 VanDerWaalsContact C-N 3.33Å; Y228-L230 PolarHBondContact O-N 3.42Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 2.74Å; Y228-D232 PolarHBondContact O-N 3.01Å |
| 229 | Q | 89.6 | Confident | 86.5 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 174.6 | -72.7 | 176.8 | -11.7 | 0 | 0 | 112.3 | Q225 I226 Q231 D232 V233 | Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.01Å; I226-Q229 PolarHBondContact O-N 2.95Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q229-D232 PolarHBondContact O-N 3.36Å; Q229-V233 WeakPolarHBondContact O-CG2 3.41Å; Q229-V233 PolarHBondContact O-N 2.93Å |
| 230 | L | 90.6 | Very high | 86 | Confident | 24 Ų | 24 | 96 Ų | 96 | 13% | 0.126 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.9 | -74 | 172.3 | 0 | 0 | 0 | 111.7 | I208 L212 I226 I227 Y228 V233 F234 | I208-L230 HydrophobicContact CD1-CD2 3.96Å; I208-L230 HydrophobicContact CG1-CD2 4.24Å; I208-L230 HydrophobicContact CG2-CD1 4.04Å; I208-L230 HydrophobicContact CG2-CD2 3.63Å; L212-L230 HydrophobicContact CD1-CD1 4.46Å; L212-L230 HydrophobicContact CD2-CD1 4.07Å; L212-L230 HydrophobicContact CG-CD1 4.44Å; I226-L230 HydrophobicContact CG2-CD1 4.02Å; I226-L230 HydrophobicContact CG2-CG 4.37Å; I226-L230 WeakPolarHBondContact O-CB 3.5Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.31Å; I226-L230 PolarHBondContact O-N 2.8Å; I227-L230 PolarHBondContact O-N 3.41Å; Y228-L230 VanDerWaalsContact C-N 3.33Å; Y228-L230 PolarHBondContact O-N 3.42Å; L230-V233 WeakPolarHBondContact O-CB 3.18Å; L230-V233 PolarHBondContact O-N 3.46Å; L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 2.9Å; L230-F234 VanDerWaalsContact O-N 3.13Å |
| 231 | Q | 90.1 | Very high | 86.1 | Confident | 107 Ų | 107 | 96 Ų | 96 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.4 | -175.1 | 175.7 | -5.9 | 0 | 0 | 111.6 | I227 Y228 Q229 V233 F234 N235 | I227-Q231 PolarHBondContact O-N 3.15Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 2.74Å; Q229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 2.83Å; Q231-F234 PolarHBondContact O-N 3.31Å; Q231-F234 VanDerWaalsContact O-N 3.16Å; Q231-N235 PolarHBondContact O-N 2.77Å; Q231-N235 PolarHBondContact O-ND2 3.09Å |
| 232 | D | 93.1 | Very high | 86.5 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.9 | -73.1 | -20.5 | 0 | 0 | 0 | 111.8 | Y228 Q229 F234 N235 L236 | Y228-D232 PolarHBondContact O-N 3.01Å; Q229-D232 PolarHBondContact O-N 3.36Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.86Å; D232-N235 PolarHBondContact O-N 3.2Å; D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 2.92Å |
| 233 | V | 91.8 | Very high | 86.7 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 174.4 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | Q229 L230 Q231 L236 L237 | Q229-V233 WeakPolarHBondContact O-CG2 3.41Å; Q229-V233 PolarHBondContact O-N 2.93Å; L230-V233 WeakPolarHBondContact O-CB 3.18Å; L230-V233 PolarHBondContact O-N 3.46Å; Q231-V233 VanDerWaalsContact C-N 3.3Å; Q231-V233 PolarHBondContact O-N 2.83Å; V233-L236 PolarHBondContact O-N 2.84Å; V233-L237 PolarHBondContact O-N 3.31Å |
| 234 | F | 88.6 | Confident | 87 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 176.8 | -73.7 | -66.2 | 0 | 0 | 0 | 112.7 | L230 Q231 D232 L236 L237 | L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 2.9Å; L230-F234 VanDerWaalsContact O-N 3.13Å; Q231-F234 PolarHBondContact O-N 3.31Å; Q231-F234 VanDerWaalsContact O-N 3.16Å; D232-F234 VanDerWaalsContact C-N 3.32Å; D232-F234 PolarHBondContact O-N 2.86Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; F234-L237 HydrophobicContact CD1-CD1 3.82Å; F234-L237 WeakPolarHBondContact O-CB 3.37Å; F234-L237 PolarHBondContact O-N 2.9Å |
| 235 | N | 90 | Very high | 87.3 | Confident | 115 Ų | 115 | 104.5 Ų | 104.5 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.2 | -29.5 | 177.3 | -70.1 | -21.8 | 0 | 0 | 0 | 112.8 | Q231 D232 | Q231-N235 PolarHBondContact O-N 2.77Å; Q231-N235 PolarHBondContact O-ND2 3.09Å; D232-N235 PolarHBondContact O-N 3.2Å |
| 236 | L | 92 | Very high | 87.6 | Confident | 142 Ų | 142 | 101.4 Ų | 101.4 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -1.7 | 179 | -70.4 | 171.3 | 0 | 0 | 0 | 113.7 | D232 V233 F234 P238 | D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 VanDerWaalsContact O-CG 3.28Å; D232-L236 WeakPolarHBondContact O-CG 3.49Å; D232-L236 PolarHBondContact O-N 2.92Å; V233-L236 PolarHBondContact O-N 2.84Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; L236-P238 WeakPolarHBondContact O-CD 3.47Å; L236-P238 VanDerWaalsContact O-N 3.16Å |
| 237 | L | 85.9 | Confident | 87.9 | Confident | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | trans | -62 | 118.8 | 176.7 | -79.3 | 170.8 | 0 | 0 | 0 | 109.6 | V233 F234 D239 | V233-L237 PolarHBondContact O-N 3.31Å; F234-L237 HydrophobicContact CD1-CD1 3.82Å; F234-L237 WeakPolarHBondContact O-CB 3.37Å; F234-L237 PolarHBondContact O-N 2.9Å; L237-D239 PolarHBondContact O-N 3.44Å | ||
| 238 | P | 84.4 | Confident | 88 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | trans | -71.1 | 133 | -177 | 28.2 | -33.4 | 0 | 0 | 0 | 110.3 | L236 V240 | L236-P238 WeakPolarHBondContact O-CD 3.47Å; L236-P238 VanDerWaalsContact O-N 3.16Å; P238-V240 PolarHBondContact O-N 3.43Å; P238-V240 VanDerWaalsContact O-N 3.12Å | ||
| 239 | D | 79.6 | Confident | 88 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | trans | -76 | 100.3 | 168.7 | -170.3 | -10.7 | 0 | 0 | 0 | 109.7 | L237 S241 L242 | L237-D239 PolarHBondContact O-N 3.44Å; D239-S241 PolarHBondContact O-N 3.42Å; D239-S241 WeakPolarHBondContact OD1-CB 3.28Å; D239-S241 PolarHBondContact OD1-N 2.79Å; D239-S241 PolarHBondContact OD1-OG 2.99Å; D239-S241 PolarHBondContact OD2-OG 3.03Å; D239-L242 HydrophobicContact CB-CD1 4.32Å; D239-L242 HydrophobicContact CB-CG 4.42Å | ||
| 240 | V | 75.8 | Confident | 88.1 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -8.7 | 179.9 | -68.8 | 0 | 0 | 0 | 0 | 113.6 | P238 F245 | P238-V240 PolarHBondContact O-N 3.43Å; P238-V240 VanDerWaalsContact O-N 3.12Å; V240-F245 HydrophobicContact CB-CE1 4.48Å; V240-F245 HydrophobicContact CG1-CE1 4.37Å |
| 241 | S | 80.4 | Confident | 88.3 | Confident | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -4.1 | -178.6 | 74.4 | 0 | 0 | 0 | 0 | 114 | D239 Q243 | D239-S241 PolarHBondContact O-N 3.42Å; D239-S241 WeakPolarHBondContact OD1-CB 3.28Å; D239-S241 PolarHBondContact OD1-N 2.79Å; D239-S241 PolarHBondContact OD1-OG 2.99Å; D239-S241 PolarHBondContact OD2-OG 3.03Å; S241-Q243 PolarHBondContact O-N 2.83Å |
| 242 | L | 88.3 | Confident | 88.5 | Confident | 105 Ų | 105 | 113.9 Ų | 113.9 | 55% | 0.55 | 58% | 0.582 | S | S | . | * | trans | -60.5 | 126.2 | 176.4 | -80.3 | 166.4 | 0 | 0 | 0 | 111.5 | D239 E244 F245 V246 | D239-L242 HydrophobicContact CB-CD1 4.32Å; D239-L242 HydrophobicContact CB-CG 4.42Å; L242-E244 PolarHBondContact O-N 3.37Å; L242-F245 HydrophobicContact CB-CB 4.24Å; L242-F245 WeakPolarHBondContact O-CB 3.32Å; L242-F245 PolarHBondContact O-N 2.99Å; L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 3.1Å | ||
| 243 | Q | 86 | Confident | 88.6 | Confident | 153 Ų | 153 | 112.7 Ų | 112.7 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.8 | -35 | -178.4 | -76.3 | -67.1 | -43.4 | 0 | 0 | 113.2 | S241 V246 K247 | S241-Q243 PolarHBondContact O-N 2.83Å; Q243-V246 PolarHBondContact O-N 3.38Å; Q243-K247 WeakPolarHBondContact O-CB 3.5Å; Q243-K247 PolarHBondContact O-N 3.13Å |
| 244 | E | 88.5 | Confident | 88.8 | Confident | 168 Ų | 168 | 113 Ų | 113 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.1 | -42.7 | 176.4 | -172.7 | 169.8 | -168.2 | 0 | 0 | 112 | L242 K247 A248 | L242-E244 PolarHBondContact O-N 3.37Å; E244-K247 PolarHBondContact O-N 3.22Å; E244-A248 WeakPolarHBondContact O-CB 3.49Å; E244-A248 PolarHBondContact O-N 3Å |
| 245 | F | 89.4 | Confident | 89.1 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -44.3 | 175.5 | -178.4 | -98.5 | 0 | 0 | 0 | 111.3 | V240 L242 K247 A248 F249 | V240-F245 HydrophobicContact CB-CE1 4.48Å; V240-F245 HydrophobicContact CG1-CE1 4.37Å; L242-F245 HydrophobicContact CB-CB 4.24Å; L242-F245 WeakPolarHBondContact O-CB 3.32Å; L242-F245 PolarHBondContact O-N 2.99Å; F245-K247 PolarHBondContact O-N 3.29Å; F245-A248 PolarHBondContact O-N 3.44Å; F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.43Å; F245-F249 PolarHBondContact O-N 3.47Å |
| 246 | V | 90.9 | Very high | 89.3 | Confident | 44 Ų | 44 | 110.1 Ų | 110.1 | 27% | 0.267 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.8 | -48.1 | 177 | 174 | 0 | 0 | 0 | 0 | 110.6 | L242 Q243 A248 F249 Y250 | L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 3.1Å; Q243-V246 PolarHBondContact O-N 3.38Å; V246-A248 PolarHBondContact O-N 3.24Å; V246-F249 WeakPolarHBondContact O-CB 3.26Å; V246-F249 PolarHBondContact O-N 3.41Å; V246-Y250 HydrophobicContact CG1-CD2 3.66Å; V246-Y250 HydrophobicContact CG1-CE2 3.46Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.46Å; V246-Y250 WeakPolarHBondContact O-CD2 3.46Å; V246-Y250 PolarHBondContact O-N 3.1Å |
| 247 | K | 92.1 | Very high | 89.5 | Confident | 164 Ų | 164 | 109.6 Ų | 109.6 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.8 | -44.8 | 177.7 | -174 | 179.5 | 179.5 | -177.5 | 0 | 112 | Q243 E244 F245 F249 Y250 L251 | Q243-K247 WeakPolarHBondContact O-CB 3.5Å; Q243-K247 PolarHBondContact O-N 3.13Å; E244-K247 PolarHBondContact O-N 3.22Å; F245-K247 PolarHBondContact O-N 3.29Å; K247-F249 VanDerWaalsContact C-N 3.32Å; K247-F249 PolarHBondContact O-N 3.19Å; K247-Y250 PolarHBondContact O-N 3.36Å; K247-L251 PolarHBondContact O-N 3.22Å |
| 248 | A | 91.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E244 F245 V246 L251 K252 | E244-A248 WeakPolarHBondContact O-CB 3.49Å; E244-A248 PolarHBondContact O-N 3Å; F245-A248 PolarHBondContact O-N 3.44Å; V246-A248 PolarHBondContact O-N 3.24Å; A248-L251 PolarHBondContact O-N 3.01Å; A248-K252 WeakPolarHBondContact O-CB 3.3Å; A248-K252 PolarHBondContact O-N 3.43Å |
| 249 | F | 90.1 | Very high | 90.4 | Very high | 124 Ų | 124 | 107.9 Ų | 107.9 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -48.6 | 176 | -172.6 | -99.2 | 0 | 0 | 0 | 111.3 | F245 V246 K247 L251 K252 T253 | F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.43Å; F245-F249 PolarHBondContact O-N 3.47Å; V246-F249 WeakPolarHBondContact O-CB 3.26Å; V246-F249 PolarHBondContact O-N 3.41Å; K247-F249 VanDerWaalsContact C-N 3.32Å; K247-F249 PolarHBondContact O-N 3.19Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 3.29Å; F249-K252 PolarHBondContact O-N 3Å; F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 3.1Å; F249-T253 PolarHBondContact O-OG1 2.7Å |
| 250 | Y | 90.6 | Very high | 91.2 | Very high | 162 Ų | 162 | 107.5 Ų | 107.5 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58 | -44.6 | 175.4 | -84.9 | -69.5 | 0 | 0 | 0 | 112.7 | V246 K247 K252 T253 N254 | V246-Y250 HydrophobicContact CG1-CD2 3.66Å; V246-Y250 HydrophobicContact CG1-CE2 3.46Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.46Å; V246-Y250 WeakPolarHBondContact O-CD2 3.46Å; V246-Y250 PolarHBondContact O-N 3.1Å; K247-Y250 PolarHBondContact O-N 3.36Å; Y250-K252 VanDerWaalsContact C-N 3.32Å; Y250-K252 PolarHBondContact O-N 2.98Å; Y250-T253 PolarHBondContact O-N 3.25Å; Y250-N254 WeakPolarHBondContact O-CB 3.31Å; Y250-N254 PolarHBondContact O-N 3.27Å |
| 251 | L | 94.8 | Very high | 92.1 | Very high | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.6 | -47.4 | 176.8 | -177 | 66.4 | 0 | 0 | 0 | 110.5 | K247 A248 F249 N254 D255 | K247-L251 PolarHBondContact O-N 3.22Å; A248-L251 PolarHBondContact O-N 3.01Å; F249-L251 VanDerWaalsContact C-N 3.34Å; F249-L251 PolarHBondContact O-N 3.29Å; L251-N254 PolarHBondContact O-N 2.84Å; L251-D255 PolarHBondContact O-N 2.96Å |
| 252 | K | 94.6 | Very high | 92.8 | Very high | 138 Ų | 138 | 111.5 Ų | 111.5 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -38 | -178.3 | -165.7 | 65 | -176 | 174 | 0 | 113.2 | A248 F249 Y250 N254 D255 Q256 | A248-K252 WeakPolarHBondContact O-CB 3.3Å; A248-K252 PolarHBondContact O-N 3.43Å; F249-K252 PolarHBondContact O-N 3Å; Y250-K252 VanDerWaalsContact C-N 3.32Å; Y250-K252 PolarHBondContact O-N 2.98Å; K252-N254 VanDerWaalsContact C-N 3.34Å; K252-D255 PolarHBondContact O-N 3.17Å; K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 3.01Å |
| 253 | T | 95.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 108.8 Ų | 108.8 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | F249 Y250 Q256 M257 | F249-T253 WeakPolarHBondContact O-CB 3.4Å; F249-T253 PolarHBondContact O-N 3.1Å; F249-T253 PolarHBondContact O-OG1 2.7Å; Y250-T253 PolarHBondContact O-N 3.25Å; T253-Q256 PolarHBondContact O-N 3.47Å; T253-M257 WeakPolarHBondContact O-CB 3.42Å; T253-M257 PolarHBondContact O-N 3.16Å |
| 254 | N | 95.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.3 | -171.8 | 47.4 | 0 | 0 | 0 | 111.3 | Y250 L251 K252 Q256 M257 V258 | Y250-N254 WeakPolarHBondContact O-CB 3.31Å; Y250-N254 PolarHBondContact O-N 3.27Å; L251-N254 PolarHBondContact O-N 2.84Å; K252-N254 VanDerWaalsContact C-N 3.34Å; N254-Q256 VanDerWaalsContact C-N 3.33Å; N254-Q256 PolarHBondContact O-N 2.62Å; N254-M257 PolarHBondContact O-N 3.4Å; N254-M257 VanDerWaalsContact O-N 3.15Å; N254-V258 WeakPolarHBondContact O-CG2 3.3Å; N254-V258 PolarHBondContact O-N 2.95Å |
| 255 | D | 95.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 176.6 | -68.3 | -14.7 | 0 | 0 | 0 | 112 | L251 K252 M257 V258 V259 | L251-D255 PolarHBondContact O-N 2.96Å; K252-D255 PolarHBondContact O-N 3.17Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.35Å; D255-V258 PolarHBondContact O-N 3.09Å; D255-V259 PolarHBondContact O-N 2.77Å |
| 256 | Q | 94.6 | Very high | 94.2 | Very high | 113 Ų | 113 | 99 Ų | 99 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.4 | -170.5 | 65.7 | 13.9 | 0 | 0 | 111.7 | K252 T253 N254 V259 V260 | K252-Q256 WeakPolarHBondContact O-CB 3.44Å; K252-Q256 PolarHBondContact O-N 3.01Å; T253-Q256 PolarHBondContact O-N 3.47Å; N254-Q256 VanDerWaalsContact C-N 3.33Å; N254-Q256 PolarHBondContact O-N 2.62Å; Q256-V259 PolarHBondContact O-N 3.19Å; Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.22Å |
| 257 | M | 94.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.9 | -35.7 | 178.9 | -170.3 | 170.8 | 162.8 | 0 | 0 | 111.9 | T253 N254 D255 V259 V260 Y261 | T253-M257 WeakPolarHBondContact O-CB 3.42Å; T253-M257 PolarHBondContact O-N 3.16Å; N254-M257 PolarHBondContact O-N 3.4Å; N254-M257 VanDerWaalsContact O-N 3.15Å; D255-M257 VanDerWaalsContact C-N 3.32Å; D255-M257 PolarHBondContact O-N 3.35Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 PolarHBondContact O-N 2.93Å; M257-V260 PolarHBondContact O-N 3.02Å; M257-Y261 WeakPolarHBondContact O-CB 3.16Å; M257-Y261 PolarHBondContact O-N 3.35Å |
| 258 | V | 95.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 173 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | N254 D255 Y261 L262 | N254-V258 WeakPolarHBondContact O-CG2 3.3Å; N254-V258 PolarHBondContact O-N 2.95Å; D255-V258 PolarHBondContact O-N 3.09Å; V258-Y261 PolarHBondContact O-N 3.14Å; V258-L262 PolarHBondContact O-N 3.2Å |
| 259 | V | 95.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | D255 Q256 M257 Y261 L262 A263 | D255-V259 PolarHBondContact O-N 2.77Å; Q256-V259 PolarHBondContact O-N 3.19Å; M257-V259 VanDerWaalsContact C-N 3.34Å; M257-V259 PolarHBondContact O-N 2.93Å; V259-Y261 VanDerWaalsContact C-N 3.31Å; V259-Y261 PolarHBondContact O-N 3.49Å; V259-L262 PolarHBondContact O-N 3.24Å; V259-A263 WeakPolarHBondContact O-CB 3.4Å; V259-A263 PolarHBondContact O-N 3.42Å |
| 260 | V | 94.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | Q256 M257 A263 S264 | Q256-V260 WeakPolarHBondContact O-CG2 3.28Å; Q256-V260 PolarHBondContact O-N 3.22Å; M257-V260 PolarHBondContact O-N 3.02Å; V260-A263 PolarHBondContact O-N 3.37Å; V260-S264 WeakPolarHBondContact O-CB 3.42Å; V260-S264 PolarHBondContact O-N 3.29Å |
| 261 | Y | 95.8 | Very high | 95.3 | Very high | 160 Ų | 160 | 95.8 Ų | 95.8 | 63% | 0.627 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -49.4 | 178.7 | -173.3 | -107.5 | 0 | 0 | 0 | 111.6 | M257 V258 V259 A263 S264 L265 | M257-Y261 WeakPolarHBondContact O-CB 3.16Å; M257-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 PolarHBondContact O-N 3.14Å; V259-Y261 VanDerWaalsContact C-N 3.31Å; V259-Y261 PolarHBondContact O-N 3.49Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; Y261-A263 PolarHBondContact O-N 3.42Å; Y261-S264 PolarHBondContact O-N 3.36Å; Y261-S264 VanDerWaalsContact O-N 3.12Å; Y261-S264 PolarHBondContact O-OG 3.03Å; Y261-L265 HydrophobicContact CE1-CD1 4.46Å; Y261-L265 PolarHBondContact O-N 2.82Å |
| 262 | L | 95.2 | Very high | 95.3 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.8 | -176.7 | 62.6 | 0 | 0 | 0 | 111.9 | V258 V259 S264 L265 I266 | V258-L262 PolarHBondContact O-N 3.2Å; V259-L262 PolarHBondContact O-N 3.24Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 2.86Å; L262-L265 PolarHBondContact O-N 3.12Å; L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 WeakPolarHBondContact O-CG1 3.44Å; L262-I266 PolarHBondContact O-N 3.39Å |
| 263 | A | 94.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 94.3 Ų | 94.3 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V259 V260 Y261 R267 | V259-A263 WeakPolarHBondContact O-CB 3.4Å; V259-A263 PolarHBondContact O-N 3.42Å; V260-A263 PolarHBondContact O-N 3.37Å; Y261-A263 VanDerWaalsContact C-N 3.35Å; Y261-A263 PolarHBondContact O-N 3.42Å; A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.46Å |
| 264 | S | 95.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 95 Ų | 95 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -35 | 176.9 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | V260 Y261 L262 R267 S268 | V260-S264 WeakPolarHBondContact O-CB 3.42Å; V260-S264 PolarHBondContact O-N 3.29Å; Y261-S264 PolarHBondContact O-N 3.36Å; Y261-S264 VanDerWaalsContact O-N 3.12Å; Y261-S264 PolarHBondContact O-OG 3.03Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 2.86Å; S264-R267 PolarHBondContact O-N 3.39Å; S264-S268 PolarHBondContact O-N 2.86Å; S264-S268 PolarHBondContact O-OG 2.99Å |
| 265 | L | 95.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -48.5 | 177.3 | -162.3 | 165 | 0 | 0 | 0 | 110.2 | Y261 L262 R267 S268 V269 | Y261-L265 HydrophobicContact CE1-CD1 4.46Å; Y261-L265 PolarHBondContact O-N 2.82Å; L262-L265 PolarHBondContact O-N 3.12Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.06Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.39Å; L265-S268 VanDerWaalsContact O-N 3.11Å; L265-V269 HydrophobicContact CD2-CG2 4Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.44Å |
| 266 | I | 95.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 96.2 Ų | 96.2 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 175.1 | -65 | 166.8 | 0 | 0 | 0 | 110.2 | L262 S268 V269 V270 | L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 WeakPolarHBondContact O-CG1 3.44Å; L262-I266 PolarHBondContact O-N 3.39Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.01Å; I266-V269 PolarHBondContact O-N 3.48Å; I266-V270 HydrophobicContact CG2-CG2 4.44Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.47Å |
| 267 | R | 94.6 | Very high | 95.3 | Very high | 183 Ų | 183 | 94.2 Ų | 94.2 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | 177.6 | -168.9 | -175.9 | -67.8 | 146.4 | -1.6 | 112 | A263 S264 L265 V270 A271 | A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.46Å; S264-R267 PolarHBondContact O-N 3.39Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.06Å; R267-V270 PolarHBondContact O-N 3.36Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.24Å |
| 268 | S | 96.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 92.8 Ų | 92.8 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | S264 L265 I266 A271 L272 | S264-S268 PolarHBondContact O-N 2.86Å; S264-S268 PolarHBondContact O-OG 2.99Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.39Å; L265-S268 VanDerWaalsContact O-N 3.11Å; I266-S268 VanDerWaalsContact C-N 3.31Å; I266-S268 PolarHBondContact O-N 3.01Å; S268-A271 PolarHBondContact O-N 2.89Å; S268-L272 WeakPolarHBondContact O-CB 3.14Å; S268-L272 PolarHBondContact O-N 3.26Å |
| 269 | V | 95.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 96.2 Ų | 96.2 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L265 I266 L272 H273 | L265-V269 HydrophobicContact CD2-CG2 4Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 3.44Å; I266-V269 PolarHBondContact O-N 3.48Å; V269-L272 PolarHBondContact O-N 3Å; V269-H273 PolarHBondContact O-N 3.19Å |
| 270 | V | 96.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | I266 R267 L272 H273 N274 | I266-V270 HydrophobicContact CG2-CG2 4.44Å; I266-V270 WeakPolarHBondContact O-CG2 3.48Å; I266-V270 PolarHBondContact O-N 3.47Å; R267-V270 PolarHBondContact O-N 3.36Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 2.9Å; V270-H273 PolarHBondContact O-N 2.97Å; V270-N274 WeakPolarHBondContact O-CB 3.49Å; V270-N274 PolarHBondContact O-N 3.38Å |
| 271 | A | 96.1 | Very high | 95 | Very high | 54 Ų | 54 | 94.1 Ų | 94.1 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R267 S268 N274 L275 | R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.24Å; S268-A271 PolarHBondContact O-N 2.89Å; A271-N274 PolarHBondContact O-N 3.05Å; A271-L275 WeakPolarHBondContact O-CB 3.27Å; A271-L275 PolarHBondContact O-N 3.01Å |
| 272 | L | 95.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 176.5 | -168.3 | 124.9 | 0 | 0 | 0 | 111.8 | S268 V269 V270 L275 I276 | S268-L272 WeakPolarHBondContact O-CB 3.14Å; S268-L272 PolarHBondContact O-N 3.26Å; V269-L272 PolarHBondContact O-N 3Å; V270-L272 VanDerWaalsContact C-N 3.31Å; V270-L272 PolarHBondContact O-N 2.9Å; L272-L275 WeakPolarHBondContact O-CB 3.35Å; L272-L275 PolarHBondContact O-N 2.95Å; L272-I276 HydrophobicContact CD2-CD1 3.83Å; L272-I276 WeakPolarHBondContact O-CG1 3.17Å; L272-I276 PolarHBondContact O-N 2.82Å |
| 273 | H | 95.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 93 Ų | 93 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.2 | -172.1 | 73.4 | 0 | 0 | 0 | 111.7 | V269 V270 L275 I276 N277 | V269-H273 PolarHBondContact O-N 3.19Å; V270-H273 PolarHBondContact O-N 2.97Å; H273-L275 VanDerWaalsContact C-N 3.32Å; H273-L275 PolarHBondContact O-N 2.92Å; H273-I276 PolarHBondContact O-N 3.21Å; H273-N277 PolarHBondContact CD2-ND2 3.47Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.38Å; H273-N277 PolarHBondContact O-N 3.18Å |
| 274 | N | 94.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 94 Ų | 94 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.8 | -72.4 | -12.4 | 0 | 0 | 0 | 112.1 | V270 A271 N277 N278 | V270-N274 WeakPolarHBondContact O-CB 3.49Å; V270-N274 PolarHBondContact O-N 3.38Å; A271-N274 PolarHBondContact O-N 3.05Å; N274-N277 PolarHBondContact O-N 2.99Å; N274-N278 WeakPolarHBondContact O-CB 3.05Å; N274-N278 VanDerWaalsContact O-CG 3.27Å; N274-N278 PolarHBondContact O-N 2.86Å |
| 275 | L | 95.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 94 Ų | 94 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 176.1 | -176.6 | 66.2 | 0 | 0 | 0 | 111.8 | A271 L272 H273 N278 K279 | A271-L275 WeakPolarHBondContact O-CB 3.27Å; A271-L275 PolarHBondContact O-N 3.01Å; L272-L275 WeakPolarHBondContact O-CB 3.35Å; L272-L275 PolarHBondContact O-N 2.95Å; H273-L275 VanDerWaalsContact C-N 3.32Å; H273-L275 PolarHBondContact O-N 2.92Å; L275-N278 PolarHBondContact O-N 2.88Å; L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 2.82Å |
| 276 | I | 94.5 | Very high | 93.8 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.1 | -68.4 | 166.8 | 0 | 0 | 0 | 109.8 | L272 H273 N278 K279 I280 | L272-I276 HydrophobicContact CD2-CD1 3.83Å; L272-I276 WeakPolarHBondContact O-CG1 3.17Å; L272-I276 PolarHBondContact O-N 2.82Å; H273-I276 PolarHBondContact O-N 3.21Å; I276-N278 PolarHBondContact O-N 3.1Å; I276-K279 PolarHBondContact O-N 3.07Å; I276-K279 VanDerWaalsContact O-N 3.16Å; I276-I280 HydrophobicContact CG2-CD1 3.78Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.28Å; I276-I280 PolarHBondContact O-N 3.05Å |
| 277 | N | 94.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 97.7 Ų | 97.7 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 179 | -69.7 | -18.8 | 0 | 0 | 0 | 111.7 | H273 N274 K279 I280 A281 | H273-N277 PolarHBondContact CD2-ND2 3.47Å; H273-N277 VanDerWaalsContact CD2-ND2 3.28Å; H273-N277 PolarHBondContact NE2-ND2 3.38Å; H273-N277 PolarHBondContact O-N 3.18Å; N274-N277 PolarHBondContact O-N 2.99Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.35Å; N277-I280 PolarHBondContact O-N 2.71Å; N277-A281 WeakPolarHBondContact O-CB 3.34Å; N277-A281 PolarHBondContact O-N 2.87Å |
| 278 | N | 94.6 | Very high | 92.7 | Very high | 102 Ų | 102 | 96.1 Ų | 96.1 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.5 | -76.6 | -4.9 | 0 | 0 | 0 | 112 | N274 L275 I276 A281 N282 | N274-N278 WeakPolarHBondContact O-CB 3.05Å; N274-N278 VanDerWaalsContact O-CG 3.27Å; N274-N278 PolarHBondContact O-N 2.86Å; L275-N278 PolarHBondContact O-N 2.88Å; I276-N278 PolarHBondContact O-N 3.1Å; N278-A281 PolarHBondContact O-N 3.17Å; N278-N282 WeakPolarHBondContact O-CB 3.33Å; N278-N282 VanDerWaalsContact O-CG 3.25Å; N278-N282 PolarHBondContact O-N 3.38Å; N278-N282 PolarHBondContact O-OD1 2.92Å |
| 279 | K | 93.9 | Very high | 91.9 | Very high | 161 Ų | 161 | 97.2 Ų | 97.2 | 70% | 0.7 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.6 | -37.8 | 178.9 | -165.7 | 174.6 | -174.8 | 178.3 | 0 | 112.3 | L275 I276 N277 R283 | L275-K279 WeakPolarHBondContact O-CB 3.26Å; L275-K279 PolarHBondContact O-N 2.82Å; I276-K279 PolarHBondContact O-N 3.07Å; I276-K279 VanDerWaalsContact O-N 3.16Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 3.35Å; K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 2.91Å |
| 280 | I | 93.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -50.3 | 173.8 | -66.8 | 167.3 | 0 | 0 | 0 | 109.6 | I276 N277 N282 R283 D284 | I276-I280 HydrophobicContact CG2-CD1 3.78Å; I276-I280 HydrophobicContact CG2-CG1 4.45Å; I276-I280 WeakPolarHBondContact O-CG1 3.28Å; I276-I280 PolarHBondContact O-N 3.05Å; N277-I280 PolarHBondContact O-N 2.71Å; I280-N282 PolarHBondContact O-N 3.2Å; I280-R283 PolarHBondContact O-N 2.72Å; I280-D284 PolarHBondContact O-N 3.03Å |
| 281 | A | 92.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N277 N278 D284 A285 | N277-A281 WeakPolarHBondContact O-CB 3.34Å; N277-A281 PolarHBondContact O-N 2.87Å; N278-A281 PolarHBondContact O-N 3.17Å; A281-D284 PolarHBondContact O-N 3.19Å; A281-A285 WeakPolarHBondContact O-CB 2.84Å; A281-A285 PolarHBondContact O-N 2.75Å |
| 282 | N | 91.3 | Very high | 88.3 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 177.3 | -75.6 | -0.6 | 0 | 0 | 0 | 112.1 | N278 I280 D284 A285 E286 | N278-N282 WeakPolarHBondContact O-CB 3.33Å; N278-N282 VanDerWaalsContact O-CG 3.25Å; N278-N282 PolarHBondContact O-N 3.38Å; N278-N282 PolarHBondContact O-OD1 2.92Å; I280-N282 PolarHBondContact O-N 3.2Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.31Å; N282-A285 PolarHBondContact O-N 3.4Å; N282-E286 WeakPolarHBondContact O-CB 3.17Å; N282-E286 WeakPolarHBondContact O-CG 3.18Å; N282-E286 PolarHBondContact O-N 2.83Å |
| 283 | R | 92.3 | Very high | 86.8 | Confident | 133 Ų | 133 | 101.3 Ų | 101.3 | 50% | 0.502 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.5 | -170.5 | -169.1 | 71.7 | 175.3 | -1.2 | 111.7 | K279 I280 K287 | K279-R283 VanDerWaalsContact O-CB 3.29Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 2.91Å; I280-R283 PolarHBondContact O-N 2.72Å; R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.49Å |
| 284 | D | 89.8 | Confident | 85.1 | Confident | 68 Ų | 68 | 102.8 Ų | 102.8 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.2 | -31.6 | 179.6 | -64.8 | -17.6 | 0 | 0 | 0 | 111.3 | I280 A281 N282 K288 | I280-D284 PolarHBondContact O-N 3.03Å; A281-D284 PolarHBondContact O-N 3.19Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.31Å; D284-K288 WeakPolarHBondContact O-CG 3.34Å; D284-K288 PolarHBondContact O-N 2.95Å; D284-K288 VanDerWaalsContact O-N 3.08Å |
| 285 | A | 89.1 | Confident | 83.4 | Confident | 48 Ų | 48 | 103.3 Ų | 103.3 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A281 N282 K287 K288 E289 | A281-A285 WeakPolarHBondContact O-CB 2.84Å; A281-A285 PolarHBondContact O-N 2.75Å; N282-A285 PolarHBondContact O-N 3.4Å; A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 2.87Å; A285-K288 PolarHBondContact O-N 2.89Å; A285-K288 VanDerWaalsContact O-N 3.17Å; A285-E289 PolarHBondContact O-N 3.38Å |
| 286 | E | 87.7 | Confident | 81.7 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -38.9 | 175.6 | -78.4 | 178.7 | 171.8 | 0 | 0 | 112.1 | N282 G290 | N282-E286 WeakPolarHBondContact O-CB 3.17Å; N282-E286 WeakPolarHBondContact O-CG 3.18Å; N282-E286 PolarHBondContact O-N 2.83Å; E286-G290 PolarHBondContact O-N 3.39Å |
| 287 | K | 85.6 | Confident | 80 | Confident | 116 Ų | 116 | 103.7 Ų | 103.7 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175 | -77.1 | 177.1 | 178.5 | -175.4 | 0 | 112.3 | R283 A285 G290 Q291 | R283-K287 WeakPolarHBondContact O-CG 3Å; R283-K287 PolarHBondContact O-N 3.49Å; A285-K287 VanDerWaalsContact C-N 3.29Å; A285-K287 PolarHBondContact O-N 2.87Å; K287-G290 PolarHBondContact O-N 3.38Å; K287-Q291 PolarHBondContact O-N 2.93Å |
| 288 | K | 82.8 | Confident | 78.3 | Confident | 149 Ų | 149 | 106.8 Ų | 106.8 | 65% | 0.648 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 175.9 | -78.5 | -175.3 | 175.6 | -175.3 | 0 | 111.9 | D284 A285 G290 Q291 E292 | D284-K288 WeakPolarHBondContact O-CG 3.34Å; D284-K288 PolarHBondContact O-N 2.95Å; D284-K288 VanDerWaalsContact O-N 3.08Å; A285-K288 PolarHBondContact O-N 2.89Å; A285-K288 VanDerWaalsContact O-N 3.17Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.49Å; K288-Q291 PolarHBondContact O-N 3.02Å; K288-E292 PolarHBondContact O-N 3.44Å |
| 289 | E | 79.1 | Confident | 76.6 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 173.6 | -79.4 | -165 | -169.1 | 0 | 0 | 112.4 | A285 K293 | A285-E289 PolarHBondContact O-N 3.38Å; E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 3.21Å; E289-K293 WeakPolarHBondContact O-CG 3.14Å; E289-K293 PolarHBondContact O-N 3.46Å; E289-K293 IonicContact OE2-NZ 2.98Å; E289-K293 PolarHBondContact OE2-NZ 3.31Å |
| 290 | G | 74.4 | Confident | 75 | Confident | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E286 K287 K288 K293 E294 | E286-G290 PolarHBondContact O-N 3.39Å; K287-G290 PolarHBondContact O-N 3.38Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.49Å; G290-K293 PolarHBondContact O-N 3.43Å; G290-E294 PolarHBondContact O-N 3.17Å |
| 291 | Q | 72.1 | Confident | 73.4 | Confident | 120 Ų | 120 | 111.7 Ų | 111.7 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 175.6 | -78.9 | 179 | -32.8 | 0 | 0 | 112.4 | K287 K288 K293 E294 D295 | K287-Q291 PolarHBondContact O-N 2.93Å; K288-Q291 PolarHBondContact O-N 3.02Å; Q291-K293 VanDerWaalsContact C-N 3.28Å; Q291-K293 PolarHBondContact O-N 3.22Å; Q291-E294 PolarHBondContact O-N 3.12Å; Q291-E294 VanDerWaalsContact O-N 3.09Å; Q291-D295 WeakPolarHBondContact O-CB 3.39Å; Q291-D295 PolarHBondContact O-N 3.37Å |
| 292 | E | 65.1 | Low | 71.8 | Confident | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.2 | -36.3 | 173.7 | -83.8 | -174.4 | 152.9 | 0 | 0 | 112.6 | K288 E294 S296 | K288-E292 PolarHBondContact O-N 3.44Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E292-S296 VanDerWaalsContact O-CB 3.28Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E292-S296 PolarHBondContact O-OG 2.89Å |
| 293 | K | 64.3 | Low | 70.2 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.3 | -27.8 | 175.1 | -75 | 166.5 | -176.2 | 154.7 | 0 | 112.8 | E289 G290 Q291 S296 K297 | E289-K293 WeakPolarHBondContact O-CB 3.33Å; E289-K293 WeakPolarHBondContact O-CD 3.21Å; E289-K293 WeakPolarHBondContact O-CG 3.14Å; E289-K293 PolarHBondContact O-N 3.46Å; E289-K293 IonicContact OE2-NZ 2.98Å; E289-K293 PolarHBondContact OE2-NZ 3.31Å; G290-K293 PolarHBondContact O-N 3.43Å; Q291-K293 VanDerWaalsContact C-N 3.28Å; Q291-K293 PolarHBondContact O-N 3.22Å; K293-S296 WeakPolarHBondContact CA-OG 3.03Å; K293-S296 PolarHBondContact O-OG 3.45Å; K293-K297 WeakPolarHBondContact O-CB 3.26Å; K293-K297 WeakPolarHBondContact O-CG 3.16Å; K293-K297 PolarHBondContact O-N 2.94Å |
| 294 | E | 59.6 | Low | 68.7 | Low | 138 Ų | 138 | 114.7 Ų | 114.7 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -79.9 | -41.6 | 173.6 | -80.5 | -167.8 | 156.4 | 0 | 0 | 112.4 | G290 Q291 E292 K297 K298 | G290-E294 PolarHBondContact O-N 3.17Å; Q291-E294 PolarHBondContact O-N 3.12Å; Q291-E294 VanDerWaalsContact O-N 3.09Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E294-K297 CarbonylContact O-C 3.59Å; E294-K297 WeakPolarHBondContact O-CB 3.45Å; E294-K297 PolarHBondContact O-N 3.16Å; E294-K298 PolarHBondContact O-N 2.83Å |
| 295 | D | 59.7 | Low | 67.2 | Low | 92 Ų | 92 | 118 Ų | 118 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.2 | -44.5 | 176.6 | -74.4 | -23.4 | 0 | 0 | 0 | 110.7 | Q291 K297 K298 D299 | Q291-D295 WeakPolarHBondContact O-CB 3.39Å; Q291-D295 PolarHBondContact O-N 3.37Å; D295-K297 VanDerWaalsContact C-N 3.26Å; D295-K297 PolarHBondContact O-N 2.9Å; D295-K298 WeakPolarHBondContact O-CB 3.41Å; D295-K298 PolarHBondContact O-N 3.19Å; D295-D299 PolarHBondContact O-N 3.02Å |
| 296 | S | 58.2 | Low | 65.8 | Low | 58 Ų | 58 | 121.6 Ų | 121.6 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -25.8 | 172.5 | 58 | 0 | 0 | 0 | 0 | 114.3 | E292 K293 R300 | E292-S296 VanDerWaalsContact O-CB 3.28Å; E292-S296 WeakPolarHBondContact O-CB 3.4Å; E292-S296 PolarHBondContact O-N 3.47Å; E292-S296 PolarHBondContact O-OG 2.89Å; K293-S296 WeakPolarHBondContact CA-OG 3.03Å; K293-S296 PolarHBondContact O-OG 3.45Å; S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 WeakPolarHBondContact O-CG 3.46Å; S296-R300 PolarHBondContact O-N 2.83Å |
| 297 | K | 59.9 | Low | 64.4 | Low | 147 Ų | 147 | 120 Ų | 120 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79 | -32 | 171.7 | -87.9 | 178.6 | -179.3 | 172.5 | 0 | 112.6 | K293 E294 D295 K301 | K293-K297 WeakPolarHBondContact O-CB 3.26Å; K293-K297 WeakPolarHBondContact O-CG 3.16Å; K293-K297 PolarHBondContact O-N 2.94Å; E294-K297 CarbonylContact O-C 3.59Å; E294-K297 WeakPolarHBondContact O-CB 3.45Å; E294-K297 PolarHBondContact O-N 3.16Å; D295-K297 VanDerWaalsContact C-N 3.26Å; D295-K297 PolarHBondContact O-N 2.9Å; K297-K301 PolarHBondContact O-N 2.76Å; K297-K301 VanDerWaalsContact O-N 3.13Å |
| 298 | K | 58.5 | Low | 63.1 | Low | 136 Ų | 136 | 120.9 Ų | 120.9 | 59% | 0.591 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.2 | -46.2 | 172.5 | -97 | -178.9 | 175.7 | 175.2 | 0 | 110.9 | E294 D295 R300 K301 E302 | E294-K298 PolarHBondContact O-N 2.83Å; D295-K298 WeakPolarHBondContact O-CB 3.41Å; D295-K298 PolarHBondContact O-N 3.19Å; K298-R300 VanDerWaalsContact C-N 3.32Å; K298-R300 PolarHBondContact O-N 2.72Å; K298-K301 WeakPolarHBondContact O-CA 3.36Å; K298-K301 WeakPolarHBondContact O-CB 3.33Å; K298-K301 PolarHBondContact O-N 3.46Å; K298-E302 PolarHBondContact O-N 3.22Å |
| 299 | D | 58.7 | Low | 62 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.4 | -44.3 | 175.9 | -69.6 | -21 | 0 | 0 | 0 | 111.4 | D295 K301 E302 D303 | D295-D299 PolarHBondContact O-N 3.02Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 2.76Å; D299-E302 PolarHBondContact O-N 2.96Å; D299-D303 PolarHBondContact O-N 3.05Å |
| 300 | R | 60.1 | Low | 61 | Low | 194 Ų | 194 | 120.3 Ų | 120.3 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -23.8 | 174.2 | -78.5 | 180 | 175.5 | -178.2 | 1 | 114.6 | S296 K298 K304 | S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 WeakPolarHBondContact O-CG 3.46Å; S296-R300 PolarHBondContact O-N 2.83Å; K298-R300 VanDerWaalsContact C-N 3.32Å; K298-R300 PolarHBondContact O-N 2.72Å; R300-K304 WeakPolarHBondContact O-CG 3.47Å |
| 301 | K | 59.6 | Low | 60.2 | Low | 152 Ų | 152 | 125.4 Ų | 125.4 | 66% | 0.661 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.6 | -40.3 | 175.1 | -89.9 | -176.1 | 175.3 | -178.3 | 0 | 111.2 | K297 K298 D299 D303 K304 E305 | K297-K301 PolarHBondContact O-N 2.76Å; K297-K301 VanDerWaalsContact O-N 3.13Å; K298-K301 WeakPolarHBondContact O-CA 3.36Å; K298-K301 WeakPolarHBondContact O-CB 3.33Å; K298-K301 PolarHBondContact O-N 3.46Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 2.76Å; K301-D303 VanDerWaalsContact C-N 3.34Å; K301-K304 PolarHBondContact O-N 3.19Å; K301-E305 PolarHBondContact O-N 3.21Å |
| 302 | E | 58.8 | Low | 59.5 | Low | 104 Ų | 104 | 126.5 Ų | 126.5 | 49% | 0.486 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -38.6 | 174.7 | -75.5 | -167.4 | -179.3 | 0 | 0 | 111.9 | K298 D299 K304 E305 K306 | K298-E302 PolarHBondContact O-N 3.22Å; D299-E302 PolarHBondContact O-N 2.96Å; E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 3.29Å; E302-E305 PolarHBondContact O-N 2.84Å; E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.3Å; E302-K306 PolarHBondContact O-N 2.93Å |
| 303 | D | 58.9 | Low | 59.1 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 173.4 | -83.2 | -18.8 | 0 | 0 | 0 | 112.2 | D299 K301 K306 D307 | D299-D303 PolarHBondContact O-N 3.05Å; K301-D303 VanDerWaalsContact C-N 3.34Å; D303-K306 PolarHBondContact O-N 3.3Å; D303-D307 PolarHBondContact O-N 3.11Å |
| 304 | K | 59.6 | Low | 58.8 | Low | 154 Ų | 154 | 120.8 Ų | 120.8 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.4 | -30.9 | 175.8 | -80.3 | -175.2 | 176.9 | -175.3 | 0 | 113.8 | R300 K301 E302 K308 | R300-K304 WeakPolarHBondContact O-CG 3.47Å; K301-K304 PolarHBondContact O-N 3.19Å; E302-K304 VanDerWaalsContact C-N 3.35Å; E302-K304 PolarHBondContact O-N 3.29Å; K304-K308 WeakPolarHBondContact O-CG 3.33Å; K304-K308 PolarHBondContact O-N 3.46Å |
| 305 | E | 59.3 | Low | 58.8 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.3 | -38.7 | 173.4 | -82 | -174.3 | 160.6 | 0 | 0 | 111.6 | K301 E302 D307 K308 D309 | K301-E305 PolarHBondContact O-N 3.21Å; E302-E305 PolarHBondContact O-N 2.84Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.48Å; E305-K308 PolarHBondContact O-N 3.46Å; E305-D309 PolarHBondContact O-N 2.88Å |
| 306 | K | 59 | Low | 58.6 | Low | 123 Ų | 123 | 121.1 Ų | 121.1 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -37.1 | 173.3 | -74.9 | 172.1 | -173.7 | 161.5 | 0 | 112.8 | E302 D303 K310 | E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.3Å; E302-K306 PolarHBondContact O-N 2.93Å; D303-K306 PolarHBondContact O-N 3.3Å; K306-K310 PolarHBondContact O-N 3.35Å; K306-K310 VanDerWaalsContact O-N 3.11Å |
| 307 | D | 58.7 | Low | 58.6 | Low | 104 Ų | 104 | 124.9 Ų | 124.9 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -38.7 | 174.1 | -88.9 | -16.5 | 0 | 0 | 0 | 112.7 | D303 E305 K310 E311 | D303-D307 PolarHBondContact O-N 3.11Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.48Å; D307-K310 PolarHBondContact O-N 2.89Å; D307-E311 PolarHBondContact O-N 3.33Å |
| 308 | K | 59.3 | Low | 58.3 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.2 | -34.5 | 175.7 | -79.5 | -176.9 | 176.2 | -177.1 | 0 | 113.5 | K304 E305 K312 | K304-K308 WeakPolarHBondContact O-CG 3.33Å; K304-K308 PolarHBondContact O-N 3.46Å; E305-K308 PolarHBondContact O-N 3.46Å; K308-K312 PolarHBondContact O-N 3.35Å |
| 309 | D | 58.8 | Low | 58.1 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.9 | -30.3 | 175.3 | -88.4 | -15.6 | 0 | 0 | 0 | 112.2 | E305 S313 | E305-D309 PolarHBondContact O-N 2.88Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.29Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 PolarHBondContact O-OG 3.32Å |
| 310 | K | 58.2 | Low | 57.9 | Low | 132 Ų | 132 | 128 Ų | 128 | 57% | 0.574 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -49.6 | 167.7 | -83.4 | 180 | -179.9 | 171.8 | 0 | 111.7 | K306 D307 K312 S313 D314 | K306-K310 PolarHBondContact O-N 3.35Å; K306-K310 VanDerWaalsContact O-N 3.11Å; D307-K310 PolarHBondContact O-N 2.89Å; K310-K312 PolarHBondContact O-N 3.12Å; K310-S313 PolarHBondContact O-N 3.2Å; K310-S313 PolarHBondContact O-OG 3.02Å; K310-D314 PolarHBondContact O-N 3.07Å |
| 311 | E | 57.1 | Low | 57.7 | Low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.6 | -44.4 | 176.3 | -83.1 | -175.9 | 153.1 | 0 | 0 | 112.3 | D307 S313 D314 V315 | D307-E311 PolarHBondContact O-N 3.33Å; E311-S313 VanDerWaalsContact C-N 3.3Å; E311-S313 PolarHBondContact O-N 3.1Å; E311-D314 PolarHBondContact O-N 3.4Å; E311-V315 VanDerWaalsContact O-CG2 3.31Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.36Å |
| 312 | K | 58.6 | Low | 57.3 | Low | 144 Ų | 144 | 128.4 Ų | 128.4 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -31.8 | 175.8 | -78.7 | -179.8 | 179.8 | 173.1 | 0 | 113.4 | K308 K310 K316 | K308-K312 PolarHBondContact O-N 3.35Å; K310-K312 PolarHBondContact O-N 3.12Å; K312-K316 PolarHBondContact O-N 3.42Å |
| 313 | S | 57 | Low | 57 | Low | 53 Ų | 53 | 132.6 Ų | 132.6 | 37% | 0.371 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.9 | -31.7 | 177.2 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | D309 K310 E311 K317 | D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.29Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 PolarHBondContact O-OG 3.32Å; K310-S313 PolarHBondContact O-N 3.2Å; K310-S313 PolarHBondContact O-OG 3.02Å; E311-S313 VanDerWaalsContact C-N 3.3Å; E311-S313 PolarHBondContact O-N 3.1Å; S313-K317 WeakPolarHBondContact O-CG 3.46Å; S313-K317 PolarHBondContact O-N 3.01Å |
| 314 | D | 57.6 | Low | 56.2 | Low | 88 Ų | 88 | 140 Ų | 140 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -76.7 | -39.6 | 176.1 | -74.7 | -29.8 | 0 | 0 | 0 | 111.6 | K310 E311 K316 K317 E318 | K310-D314 PolarHBondContact O-N 3.07Å; E311-D314 PolarHBondContact O-N 3.4Å; D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.49Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 PolarHBondContact O-N 2.87Å; D314-E318 PolarHBondContact O-N 2.91Å |
| 315 | V | 58.1 | Low | 56.1 | Low | 84 Ų | 84 | 139.3 Ų | 139.3 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.2 | -39.5 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | E311 K317 E318 E319 | E311-V315 VanDerWaalsContact O-CG2 3.31Å; E311-V315 WeakPolarHBondContact O-CG2 3.35Å; E311-V315 PolarHBondContact O-N 3.36Å; V315-K317 VanDerWaalsContact C-N 3.3Å; V315-K317 PolarHBondContact O-N 3.24Å; V315-E318 PolarHBondContact O-N 3.01Å; V315-E319 PolarHBondContact O-N 3.31Å; V315-E319 VanDerWaalsContact O-N 3.11Å |
| 316 | K | 56.9 | Low | 55.9 | Low | 154 Ų | 154 | 139.4 Ų | 139.4 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.7 | -22.3 | 173.8 | -88.8 | -177.4 | 175.9 | 175.8 | 0 | 114.1 | K312 D314 | K312-K316 PolarHBondContact O-N 3.42Å; D314-K316 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 3.49Å |
| 317 | K | 57.3 | Low | 55.7 | Low | 137 Ų | 137 | 140.3 Ų | 140.3 | 60% | 0.596 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.5 | -32.9 | 174.2 | -84.5 | 176.7 | -178.9 | 167.8 | 0 | 111.7 | S313 D314 V315 K321 | S313-K317 WeakPolarHBondContact O-CG 3.46Å; S313-K317 PolarHBondContact O-N 3.01Å; D314-K317 WeakPolarHBondContact O-CB 3.46Å; D314-K317 PolarHBondContact O-N 2.87Å; V315-K317 VanDerWaalsContact C-N 3.3Å; V315-K317 PolarHBondContact O-N 3.24Å; K317-K321 PolarHBondContact O-N 3.46Å |
| 318 | E | 54.1 | Low | 55.5 | Low | 143 Ų | 143 | 142.5 Ų | 142.5 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.2 | -45.5 | 173.3 | -76.2 | -172.4 | 150.7 | 0 | 0 | 111.9 | D314 V315 K320 K321 E322 | D314-E318 PolarHBondContact O-N 2.91Å; V315-E318 PolarHBondContact O-N 3.01Å; E318-K320 PolarHBondContact O-N 3.07Å; E318-K320 VanDerWaalsContact O-N 3.15Å; E318-K321 PolarHBondContact O-N 2.94Å; E318-E322 PolarHBondContact O-N 2.81Å |
| 319 | E | 53.9 | Low | 55.3 | Low | 135 Ų | 135 | 142.9 Ų | 142.9 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -24.7 | 176.4 | -76.7 | -172.1 | 155.7 | 0 | 0 | 113.7 | V315 | V315-E319 PolarHBondContact O-N 3.31Å; V315-E319 VanDerWaalsContact O-N 3.11Å |
| 320 | K | 55.4 | Low | 55.1 | Low | 170 Ų | 170 | 145.3 Ų | 145.3 | 74% | 0.739 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15.8 | 174.4 | -86.6 | -173.7 | 176.4 | -178.7 | 0 | 113.9 | E318 | E318-K320 PolarHBondContact O-N 3.07Å; E318-K320 VanDerWaalsContact O-N 3.15Å |
| 321 | K | 55 | Low | 54.8 | Low | 175 Ų | 175 | 146.2 Ų | 146.2 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -23.9 | 176.6 | -87.7 | -176.3 | 174.2 | -179.6 | 0 | 113.3 | K317 E318 | K317-K321 PolarHBondContact O-N 3.46Å; E318-K321 PolarHBondContact O-N 2.94Å |
| 322 | E | 51.3 | Low | 54.7 | Low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -10.1 | 175.9 | -77.5 | -170.7 | 148.3 | 0 | 0 | 114.5 | E318 | E318-E322 PolarHBondContact O-N 2.81Š|
| 323 | K | 53 | Low | 54.3 | Low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 24.9 | 178.4 | -81 | -173.5 | 177.5 | 174.8 | 0 | 114.4 | ||
| 324 | K | 42.4 | Very low | 54.1 | Low | 256 Ų | 256 | 155.6 Ų | 155.6 | 100% | 1.113 | 71% | 0.711 | S | S | * | * | trans | -134 | 0 | 176.7 | -125.9 | -173.7 | -177.3 | -172.3 | 0 | 113.4 |
Retrieved 324 of 324 residues in 1802.2 ms
(Link to these results)