| 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 | R | 71.9 | Confident | 92.2 | Very high | 219 Ų | 219 | 84 Ų | 84 | 83% | 0.826 | 38% | 0.376 | S | S | * | . | 0 | 128.6 | 0 | -77.3 | 179.8 | 174.6 | -171.9 | -4.8 | 106.9 | R3 D32 | R1-R3 PolarHBondContact O-N 2.71Å; R1-D32 IonicContact NH1-OD2 3.7Å; R1-D32 PolarHBondContact NH1-OD2 3.37Å; R1-D32 VanDerWaalsContact NH1-OD2 3.16Å | |||
| 2 | S | 86.1 | Confident | 92.1 | Very high | 97 Ų | 97 | 84.9 Ų | 84.9 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | trans | -76 | 123.2 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | R | 94 | Very high | 92.3 | Very high | 56 Ų | 56 | 84.2 Ų | 84.2 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.3 | 173.9 | -158.3 | 172.7 | -152.3 | -148.6 | 11.4 | 108.9 | R1 E17 G18 D33 E35 R44 V63 | R1-R3 PolarHBondContact O-N 2.71Å; R3-E17 IonicContact CZ-OE2 3.21Å; R3-E17 IonicContact NH1-OE2 2.76Å; R3-E17 PolarHBondContact NH1-OE2 3.5Å; R3-G18 WeakPolarHBondContact CG-O 3.35Å; R3-D33 PolarHBondContact NH2-O 2.85Å; R3-E35 IonicContact CZ-OE2 2.79Å; R3-E35 IonicContact NH1-OE2 3.16Å; R3-E35 PolarHBondContact NH1-OE2 2.93Å; R3-E35 IonicContact NH2-OE2 3.16Å; R3-E35 PolarHBondContact NH2-OE2 3.05Å; R3-R44 VanDerWaalsContact NH1-NH2 3.14Å; R3-V63 HydrophobicContact CB-CG2 4.47Å; R3-V63 PolarHBondContact O-N 3.14Å |
| 4 | I | 96.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 81.2 Ų | 81.2 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 153.8 | 174.5 | 59 | 147.9 | 0 | 0 | 0 | 110.2 | V6 E17 G18 I20 L29 L31 L60 Q61 | I4-V6 HydrophobicContact CD1-CG2 3.75Å; I4-E17 CarbonylContact O-C 3.5Å; I4-E17 WeakPolarHBondContact O-CA 3.15Å; I4-G18 WeakPolarHBondContact CG1-O 3.42Å; I4-G18 PolarHBondContact N-O 2.79Å; I4-G18 PolarHBondContact O-N 2.89Å; I4-I20 HydrophobicContact CD1-CD1 3.65Å; I4-I20 HydrophobicContact CD1-CG1 3.5Å; I4-I20 HydrophobicContact CG1-CD1 4.27Å; I4-I20 HydrophobicContact CG1-CG1 3.86Å; I4-I20 HydrophobicContact CG2-CD1 4.43Å; I4-L29 HydrophobicContact CD1-CD1 4.43Å; I4-L31 HydrophobicContact CD1-CD2 4.1Å; I4-L31 HydrophobicContact CG1-CD2 4.44Å; I4-L60 HydrophobicContact CD1-CD2 3.87Å; I4-Q61 CarbonylContact C-O 3.52Å; I4-Q61 VanDerWaalsContact CA-O 3.26Å; I4-Q61 WeakPolarHBondContact CA-O 3.41Å |
| 5 | Q | 96.7 | Very high | 92.7 | Very high | 36 Ų | 36 | 76.9 Ų | 76.9 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.2 | 166.4 | -172.2 | 179.9 | 98.6 | 0 | 0 | 108.9 | W7 R15 I16 E17 Q61 V63 | Q5-W7 VanDerWaalsContact OE1-NE1 3.07Å; Q5-R15 HydrophobicContact CG-CB 3.78Å; Q5-R15 HydrophobicContact CG-CG 4.23Å; Q5-I16 CarbonylContact C-O 3.58Å; Q5-I16 WeakPolarHBondContact CA-O 3.26Å; Q5-E17 HydrophobicContact CB-CG 3.88Å; Q5-E17 HydrophobicContact CG-CG 3.85Å; Q5-E17 PolarHBondContact NE2-OE1 2.89Å; Q5-Q61 PolarHBondContact N-O 2.83Å; Q5-Q61 PolarHBondContact O-N 3.29Å; Q5-V63 HydrophobicContact CB-CG2 3.87Å |
| 6 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.4 | 177.9 | -170.4 | 0 | 0 | 0 | 0 | 109 | I4 L8 R15 I16 L31 L52 I57 L59 L60 | I4-V6 HydrophobicContact CD1-CG2 3.75Å; V6-L8 HydrophobicContact CG1-CD2 4.32Å; V6-R15 WeakPolarHBondContact O-CA 3.3Å; V6-I16 HydrophobicContact CB-CB 4.26Å; V6-I16 PolarHBondContact N-O 2.76Å; V6-I16 PolarHBondContact O-N 2.95Å; V6-I16 VanDerWaalsContact O-N 3.08Å; V6-L31 HydrophobicContact CG2-CD1 4.13Å; V6-L52 HydrophobicContact CB-CD1 4.22Å; V6-L52 HydrophobicContact CG1-CD1 4.07Å; V6-L52 HydrophobicContact CG2-CD1 3.96Å; V6-I57 HydrophobicContact CG1-CB 4.43Å; V6-I57 HydrophobicContact CG1-CD1 4.48Å; V6-I57 HydrophobicContact CG1-CG1 4Å; V6-I57 HydrophobicContact CG1-CG2 3.97Å; V6-L59 WeakPolarHBondContact CA-O 3.5Å; V6-L60 HydrophobicContact CB-CD2 4.19Å; V6-L60 HydrophobicContact CG1-CD2 3.94Å; V6-L60 HydrophobicContact CG2-CD2 3.68Å |
| 7 | W | 96.8 | Very high | 93.3 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.7 | 172.1 | -69.1 | 41.7 | 0 | 0 | 0 | 108.3 | Q5 R15 T58 L59 | Q5-W7 VanDerWaalsContact OE1-NE1 3.07Å; W7-R15 VanDerWaalsContact CD2-NE 3.34Å; W7-R15 VanDerWaalsContact CD2-NH2 3.27Å; W7-T58 PolarHBondContact O-N 2.92Å; W7-L59 HydrophobicContact CB-CB 3.93Å; W7-L59 HydrophobicContact CD2-CD2 4.34Å; W7-L59 HydrophobicContact CG-CB 4.07Å; W7-L59 HydrophobicContact CG-CD2 4.08Å; W7-L59 PolarHBondContact N-O 3.22Å |
| 8 | L | 96.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.7 | -176.9 | -59.1 | 174.3 | 0 | 0 | 0 | 111 | V6 Q11 M14 I16 N56 | V6-L8 HydrophobicContact CG1-CD2 4.32Å; L8-Q11 HydrophobicContact CB-CB 3.88Å; L8-Q11 HydrophobicContact CD1-CB 4.35Å; L8-M14 HydrophobicContact CD1-CE 3.26Å; L8-I16 HydrophobicContact CD1-CG1 4.13Å; L8-I16 HydrophobicContact CD2-CG1 4.45Å; L8-N56 CarbonylContact C-O 3.59Å; L8-N56 VanDerWaalsContact CA-O 3.29Å; L8-N56 WeakPolarHBondContact CA-O 3.24Å |
| 9 | Y | 94.3 | Very high | 93.6 | Very high | 133 Ų | 133 | 62.5 Ų | 62.5 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -62.2 | 134.5 | 171.9 | -177.3 | -103.7 | 0 | 0 | 0 | 109.9 | Q11 N56 T58 | Y9-Q11 PolarHBondContact O-N 3.08Å; Y9-N56 PolarHBondContact N-O 2.89Å; Y9-T58 VanDerWaalsContact CA-OG1 3.32Å; Y9-T58 WeakPolarHBondContact CA-OG1 3.47Å; Y9-T58 PolarHBondContact N-OG1 2.85Å |
| 10 | E | 92.9 | Very high | 93.8 | Very high | 143 Ų | 143 | 63 Ų | 63 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 59.1 | -22.2 | -175.4 | -70.7 | 175.5 | -175 | 0 | 0 | 117 | V12 | E10-V12 PolarHBondContact O-N 3.06Å; E10-V12 VanDerWaalsContact O-N 3.14Å |
| 11 | Q | 91.8 | Very high | 94 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | trans | -89.7 | 68.6 | 179.7 | -124.1 | 70.2 | 5.2 | 0 | 0 | 112.5 | L8 Y9 N13 M14 | L8-Q11 HydrophobicContact CB-CB 3.88Å; L8-Q11 HydrophobicContact CD1-CB 4.35Å; Y9-Q11 PolarHBondContact O-N 3.08Å; Q11-N13 VanDerWaalsContact C-N 3.29Å; Q11-N13 PolarHBondContact O-N 3.42Å; Q11-M14 HydrophobicContact CB-CE 4.48Å; Q11-M14 HydrophobicContact CG-CB 4.26Å; Q11-M14 HydrophobicContact CG-CE 3.97Å; Q11-M14 PolarHBondContact O-N 2.87Å | ||
| 12 | V | 91.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 54.1 Ų | 54.1 | 58% | 0.576 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.3 | -175.5 | -66.3 | 0 | 0 | 0 | 0 | 115.1 | E10 M14 R15 | E10-V12 PolarHBondContact O-N 3.06Å; E10-V12 VanDerWaalsContact O-N 3.14Å; V12-M14 VanDerWaalsContact C-N 3.33Å; V12-R15 PolarHBondContact O-NH2 3.21Å |
| 13 | N | 93.6 | Very high | 95.7 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -6.2 | -176.9 | -64.4 | -53.3 | 0 | 0 | 0 | 113.4 | Q11 H38 S39 K40 | Q11-N13 VanDerWaalsContact C-N 3.29Å; Q11-N13 PolarHBondContact O-N 3.42Å; N13-H38 CarbonylContact O-C 3.53Å; N13-H38 WeakPolarHBondContact O-CA 3.46Å; N13-S39 PolarHBondContact O-N 2.72Å; N13-K40 WeakPolarHBondContact OD1-CE 3.21Å |
| 14 | M | 95.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 57 Ų | 57 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.9 | -172.1 | -173 | 174 | 84 | 0 | 0 | 110.1 | L8 Q11 V12 E36 I37 | L8-M14 HydrophobicContact CD1-CE 3.26Å; Q11-M14 HydrophobicContact CB-CE 4.48Å; Q11-M14 HydrophobicContact CG-CB 4.26Å; Q11-M14 HydrophobicContact CG-CE 3.97Å; Q11-M14 PolarHBondContact O-N 2.87Å; V12-M14 VanDerWaalsContact C-N 3.33Å; M14-E36 HydrophobicContact CG-CG 3.62Å; M14-E36 VanDerWaalsContact SD-CD 3.52Å; M14-E36 HydrophobicContact SD-CG 3.63Å; M14-I37 CarbonylContact C-O 3.57Å; M14-I37 WeakPolarHBondContact CA-O 3.41Å |
| 15 | R | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 64 Ų | 64 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.1 | 175.4 | -56.8 | -64.2 | 176.1 | -137.6 | 6 | 108.7 | Q5 V6 W7 V12 I37 | Q5-R15 HydrophobicContact CG-CB 3.78Å; Q5-R15 HydrophobicContact CG-CG 4.23Å; V6-R15 WeakPolarHBondContact O-CA 3.3Å; W7-R15 VanDerWaalsContact CD2-NE 3.34Å; W7-R15 VanDerWaalsContact CD2-NH2 3.27Å; V12-R15 PolarHBondContact O-NH2 3.21Å; R15-I37 HydrophobicContact CB-CB 4.5Å; R15-I37 PolarHBondContact N-O 2.78Å; R15-I37 PolarHBondContact O-N 2.81Å |
| 16 | I | 97.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.7 | 170.8 | -57.9 | -60.7 | 0 | 0 | 0 | 107.8 | Q5 V6 L8 L31 A34 E35 E36 L47 I50 L52 | Q5-I16 CarbonylContact C-O 3.58Å; Q5-I16 WeakPolarHBondContact CA-O 3.26Å; V6-I16 HydrophobicContact CB-CB 4.26Å; V6-I16 PolarHBondContact N-O 2.76Å; V6-I16 PolarHBondContact O-N 2.95Å; V6-I16 VanDerWaalsContact O-N 3.08Å; L8-I16 HydrophobicContact CD1-CG1 4.13Å; L8-I16 HydrophobicContact CD2-CG1 4.45Å; I16-L31 HydrophobicContact CG2-CD1 3.68Å; I16-A34 HydrophobicContact CG2-CB 4.5Å; I16-E35 CarbonylContact C-O 3.57Å; I16-E35 WeakPolarHBondContact CA-O 3.19Å; I16-E36 HydrophobicContact CD1-CB 4.16Å; I16-E36 HydrophobicContact CD1-CG 4.25Å; I16-L47 HydrophobicContact CD1-CD1 4Å; I16-I50 HydrophobicContact CG2-CD1 3.94Å; I16-L52 HydrophobicContact CB-CD1 4.3Å; I16-L52 HydrophobicContact CG1-CD2 4.42Å; I16-L52 HydrophobicContact CG2-CD1 4.15Å |
| 17 | E | 97.1 | Very high | 95.8 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.7 | 170 | -71.2 | -173.8 | -179.3 | 0 | 0 | 110.7 | R3 I4 Q5 A34 E35 I37 R44 | R3-E17 IonicContact CZ-OE2 3.21Å; R3-E17 IonicContact NH1-OE2 2.76Å; R3-E17 PolarHBondContact NH1-OE2 3.5Å; I4-E17 CarbonylContact O-C 3.5Å; I4-E17 WeakPolarHBondContact O-CA 3.15Å; Q5-E17 HydrophobicContact CB-CG 3.88Å; Q5-E17 HydrophobicContact CG-CG 3.85Å; Q5-E17 PolarHBondContact NE2-OE1 2.89Å; E17-A34 CarbonylContact O-C 3.6Å; E17-A34 WeakPolarHBondContact O-CA 3.28Å; E17-E35 PolarHBondContact N-O 3.35Å; E17-E35 PolarHBondContact O-N 2.75Å; E17-I37 HydrophobicContact CB-CD1 4.34Å; E17-I37 HydrophobicContact CG-CD1 3.81Å; E17-I37 HydrophobicContact CG-CG1 4.33Å; E17-I37 WeakPolarHBondContact OE1-CD1 3.44Å; E17-I37 VanDerWaalsContact OE2-CD1 3.28Å; E17-I37 WeakPolarHBondContact OE2-CD1 3.31Å; E17-R44 IonicContact OE2-CZ 3.97Å; E17-R44 IonicContact OE2-NH2 2.75Å; E17-R44 PolarHBondContact OE2-NH2 2.89Å |
| 18 | G | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 177.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R3 I4 | R3-G18 WeakPolarHBondContact CG-O 3.35Å; I4-G18 WeakPolarHBondContact CG1-O 3.42Å; I4-G18 PolarHBondContact N-O 2.79Å; I4-G18 PolarHBondContact O-N 2.89Å |
| 19 | C | 96.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.095 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124 | 172.2 | -66 | 0 | 0 | 0 | 0 | 109.5 | I21 L31 D32 | C19-I21 PolarHBondContact O-N 2.82Å; C19-L31 CarbonylContact O-C 3.6Å; C19-L31 WeakPolarHBondContact O-CA 3.18Å; C19-D32 PolarHBondContact N-O 2.87Å; C19-D32 PolarHBondContact O-N 2.87Å |
| 20 | I | 96.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 67 Ų | 67 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.2 | 174 | -52.4 | 175.8 | 0 | 0 | 0 | 109.1 | I4 L31 | I4-I20 HydrophobicContact CD1-CD1 3.65Å; I4-I20 HydrophobicContact CD1-CG1 3.5Å; I4-I20 HydrophobicContact CG1-CD1 4.27Å; I4-I20 HydrophobicContact CG1-CG1 3.86Å; I4-I20 HydrophobicContact CG2-CD1 4.43Å; I20-L31 HydrophobicContact CB-CD2 4.39Å; I20-L31 HydrophobicContact CG1-CD2 3.85Å |
| 21 | I | 97.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -10.1 | 172.7 | 58.9 | 167.1 | 0 | 0 | 0 | 113.2 | C19 V30 D32 R49 | C19-I21 PolarHBondContact O-N 2.82Å; I21-V30 HydrophobicContact CD1-CB 4.49Å; I21-V30 HydrophobicContact CD1-CG1 3.65Å; I21-V30 HydrophobicContact CG1-CB 3.91Å; I21-V30 HydrophobicContact CG1-CG1 3.58Å; I21-V30 WeakPolarHBondContact CG1-O 3.49Å; I21-V30 PolarHBondContact N-O 3.3Å; I21-D32 HydrophobicContact CD1-CB 4.15Å; I21-D32 HydrophobicContact CG1-CB 4.43Å; I21-D32 HydrophobicContact CG2-CB 3.72Å; I21-R49 HydrophobicContact CD1-CG 4.35Å |
| 22 | G | 97.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 154.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V30 | G22-V30 PolarHBondContact O-N 3.16Å |
| 23 | F | 97.4 | Very high | 96.8 | Very high | 160 Ų | 160 | 56 Ų | 56 | 70% | 0.702 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 163.3 | 174 | 67.4 | -85.4 | 0 | 0 | 0 | 110.4 | N28 L29 | F23-N28 VanDerWaalsContact CA-O 3.23Å; F23-N28 WeakPolarHBondContact CA-O 3.43Å; F23-L29 HydrophobicContact CB-CD2 3.63Å |
| 24 | D | 97.3 | Very high | 97 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | trans | -130.3 | -178.6 | 175.8 | 68.4 | 15.3 | 0 | 0 | 0 | 112.5 | Y26 M27 N28 | D24-Y26 PolarHBondContact O-N 2.86Å; D24-Y26 WeakPolarHBondContact OD1-CA 3.38Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.45Å; D24-Y26 PolarHBondContact OD1-N 2.79Å; D24-M27 PolarHBondContact O-N 3.26Å; D24-M27 VanDerWaalsContact O-N 3.14Å; D24-M27 PolarHBondContact OD1-N 2.82Å; D24-M27 VanDerWaalsContact OD1-N 3.13Å; D24-N28 PolarHBondContact N-O 2.86Å; D24-N28 WeakPolarHBondContact OD1-CB 3.43Å; D24-N28 PolarHBondContact OD1-N 2.86Å; D24-N28 PolarHBondContact OD1-ND2 3.48Å; D24-N28 WeakPolarHBondContact OD2-CB 3.19Å; D24-N28 PolarHBondContact OD2-ND2 3.43Å | ||
| 25 | E | 97.5 | Very high | 97.1 | Very high | 165 Ų | 165 | 51.2 Ų | 51.2 | 77% | 0.771 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.7 | 179.5 | 67.9 | -173 | 139.2 | 0 | 0 | 114.1 | M27 | E25-M27 VanDerWaalsContact C-N 3.29Š|
| 26 | Y | 96.1 | Very high | 97.1 | Very high | 160 Ų | 160 | 51.9 Ų | 51.9 | 63% | 0.627 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.8 | 177.2 | -55.1 | -68.2 | 0 | 0 | 0 | 112.2 | D24 N28 | D24-Y26 PolarHBondContact O-N 2.86Å; D24-Y26 WeakPolarHBondContact OD1-CA 3.38Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.45Å; D24-Y26 PolarHBondContact OD1-N 2.79Å; Y26-N28 PolarHBondContact O-N 2.86Å |
| 27 | M | 96.5 | Very high | 97 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 51% | 0.507 | 26% | 0.259 | S | S | . | . | trans | 62.1 | 22 | -176.6 | -58.2 | -71.1 | -69.3 | 0 | 0 | 113.4 | D24 E25 L29 G54 I57 | D24-M27 PolarHBondContact O-N 3.26Å; D24-M27 VanDerWaalsContact O-N 3.14Å; D24-M27 PolarHBondContact OD1-N 2.82Å; D24-M27 VanDerWaalsContact OD1-N 3.13Å; E25-M27 VanDerWaalsContact C-N 3.29Å; M27-L29 PolarHBondContact O-N 3.03Å; M27-G54 VanDerWaalsContact O-CA 3.24Å; M27-G54 WeakPolarHBondContact O-CA 3.46Å; M27-I57 WeakPolarHBondContact O-CD1 2.95Å | ||
| 28 | N | 97.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | trans | -67.1 | 135.8 | 166.7 | -57.8 | -48.9 | 0 | 0 | 0 | 108.4 | F23 D24 Y26 M51 L52 K53 G54 | F23-N28 VanDerWaalsContact CA-O 3.23Å; F23-N28 WeakPolarHBondContact CA-O 3.43Å; D24-N28 PolarHBondContact N-O 2.86Å; D24-N28 WeakPolarHBondContact OD1-CB 3.43Å; D24-N28 PolarHBondContact OD1-N 2.86Å; D24-N28 PolarHBondContact OD1-ND2 3.48Å; D24-N28 WeakPolarHBondContact OD2-CB 3.19Å; D24-N28 PolarHBondContact OD2-ND2 3.43Å; Y26-N28 PolarHBondContact O-N 2.86Å; N28-M51 HydrophobicContact CB-CE 3.59Å; N28-L52 CarbonylContact C-O 3.46Å; N28-L52 VanDerWaalsContact CA-O 3.24Å; N28-L52 WeakPolarHBondContact CA-O 3.45Å; N28-K53 VanDerWaalsContact OD1-CA 3.26Å; N28-K53 WeakPolarHBondContact OD1-CA 3.35Å; N28-G54 PolarHBondContact OD1-N 3.16Å | ||
| 29 | L | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.8 | -177.1 | -59 | -177.1 | 0 | 0 | 0 | 110.6 | I4 F23 M27 L31 M51 L52 I57 L60 | I4-L29 HydrophobicContact CD1-CD1 4.43Å; F23-L29 HydrophobicContact CB-CD2 3.63Å; M27-L29 PolarHBondContact O-N 3.03Å; L29-L31 HydrophobicContact CB-CD2 4.36Å; L29-M51 CarbonylContact O-C 3.58Å; L29-M51 VanDerWaalsContact O-CA 3.29Å; L29-M51 WeakPolarHBondContact O-CA 3.39Å; L29-L52 PolarHBondContact N-O 3.46Å; L29-L52 PolarHBondContact O-N 3.46Å; L29-I57 HydrophobicContact CD1-CD1 3.62Å; L29-I57 HydrophobicContact CG-CD1 3.74Å; L29-L60 HydrophobicContact CD1-CD1 4.11Å; L29-L60 HydrophobicContact CD1-CD2 3.77Å |
| 30 | V | 97.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 64.2 Ų | 64.2 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.7 | 164.8 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | I21 G22 R49 I50 | I21-V30 HydrophobicContact CD1-CB 4.49Å; I21-V30 HydrophobicContact CD1-CG1 3.65Å; I21-V30 HydrophobicContact CG1-CB 3.91Å; I21-V30 HydrophobicContact CG1-CG1 3.58Å; I21-V30 WeakPolarHBondContact CG1-O 3.49Å; I21-V30 PolarHBondContact N-O 3.3Å; G22-V30 PolarHBondContact O-N 3.16Å; V30-R49 HydrophobicContact CG1-CG 4.29Å; V30-I50 WeakPolarHBondContact CA-O 3.26Å |
| 31 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.5 | 178.7 | -58.3 | -176.8 | 0 | 0 | 0 | 110.6 | I4 V6 I16 C19 I20 L29 A34 R49 I50 L52 | I4-L31 HydrophobicContact CD1-CD2 4.1Å; I4-L31 HydrophobicContact CG1-CD2 4.44Å; V6-L31 HydrophobicContact CG2-CD1 4.13Å; I16-L31 HydrophobicContact CG2-CD1 3.68Å; C19-L31 CarbonylContact O-C 3.6Å; C19-L31 WeakPolarHBondContact O-CA 3.18Å; I20-L31 HydrophobicContact CB-CD2 4.39Å; I20-L31 HydrophobicContact CG1-CD2 3.85Å; L29-L31 HydrophobicContact CB-CD2 4.36Å; L31-A34 HydrophobicContact CB-CB 4.1Å; L31-R49 VanDerWaalsContact O-CA 3.31Å; L31-R49 WeakPolarHBondContact O-CA 3.23Å; L31-I50 HydrophobicContact CB-CG1 4.12Å; L31-I50 PolarHBondContact N-O 2.8Å; L31-I50 PolarHBondContact O-N 2.93Å; L31-L52 HydrophobicContact CD1-CD1 3.56Å; L31-L52 HydrophobicContact CD1-CG 4.33Å; L31-L52 HydrophobicContact CG-CD1 4.37Å |
| 32 | D | 97.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.7 | 169.1 | -141.8 | 24 | 0 | 0 | 0 | 109.7 | R1 C19 I21 A34 R49 | R1-D32 IonicContact NH1-OD2 3.7Å; R1-D32 PolarHBondContact NH1-OD2 3.37Å; R1-D32 VanDerWaalsContact NH1-OD2 3.16Å; C19-D32 PolarHBondContact N-O 2.87Å; C19-D32 PolarHBondContact O-N 2.87Å; I21-D32 HydrophobicContact CD1-CB 4.15Å; I21-D32 HydrophobicContact CG1-CB 4.43Å; I21-D32 HydrophobicContact CG2-CB 3.72Å; D32-A34 PolarHBondContact O-N 3.21Å; D32-R49 VanDerWaalsContact CG-NH2 3.33Å; D32-R49 IonicContact OD1-CZ 3.31Å; D32-R49 VanDerWaalsContact OD1-CZ 3.31Å; D32-R49 IonicContact OD1-NE 2.87Å; D32-R49 PolarHBondContact OD1-NE 2.91Å; D32-R49 IonicContact OD1-NH2 2.89Å; D32-R49 PolarHBondContact OD1-NH2 3.34Å; D32-R49 IonicContact OD2-NH2 3.86Å; D32-R49 PolarHBondContact OD2-NH2 3.49Å; D32-R49 VanDerWaalsContact OD2-NH2 3.16Å |
| 33 | D | 96.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 71 Ų | 71 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 41.7 | -177.5 | -55.5 | -44 | 0 | 0 | 0 | 112.9 | R3 | R3-D33 PolarHBondContact NH2-O 2.85Å |
| 34 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 139.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I16 E17 L31 D32 L47 G48 I50 | I16-A34 HydrophobicContact CG2-CB 4.5Å; E17-A34 CarbonylContact O-C 3.6Å; E17-A34 WeakPolarHBondContact O-CA 3.28Å; L31-A34 HydrophobicContact CB-CB 4.1Å; D32-A34 PolarHBondContact O-N 3.21Å; A34-L47 HydrophobicContact CB-CB 4.34Å; A34-L47 WeakPolarHBondContact O-CB 3.16Å; A34-L47 PolarHBondContact O-N 2.9Å; A34-G48 WeakPolarHBondContact CB-O 3.32Å; A34-G48 PolarHBondContact N-O 3.25Å; A34-G48 PolarHBondContact O-N 2.91Å; A34-I50 HydrophobicContact CB-CD1 3.66Å; A34-I50 HydrophobicContact CB-CG1 3.69Å |
| 35 | E | 97.6 | Very high | 95.4 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.6 | 175.4 | -70.8 | 179.1 | 123 | 0 | 0 | 110.8 | R3 I16 E17 R44 K45 Q46 | R3-E35 IonicContact CZ-OE2 2.79Å; R3-E35 IonicContact NH1-OE2 3.16Å; R3-E35 PolarHBondContact NH1-OE2 2.93Å; R3-E35 IonicContact NH2-OE2 3.16Å; R3-E35 PolarHBondContact NH2-OE2 3.05Å; I16-E35 CarbonylContact C-O 3.57Å; I16-E35 WeakPolarHBondContact CA-O 3.19Å; E17-E35 PolarHBondContact N-O 3.35Å; E17-E35 PolarHBondContact O-N 2.75Å; E35-R44 IonicContact OE2-CZ 3.48Å; E35-R44 IonicContact OE2-NE 3.37Å; E35-R44 PolarHBondContact OE2-NE 2.89Å; E35-R44 IonicContact OE2-NH2 2.87Å; E35-K45 CarbonylContact C-O 3.53Å; E35-K45 VanDerWaalsContact CA-O 3.26Å; E35-K45 WeakPolarHBondContact CA-O 3.29Å; E35-Q46 VanDerWaalsContact CG-CD 3.47Å; E35-Q46 HydrophobicContact CG-CG 4.3Å; E35-Q46 VanDerWaalsContact CG-NE2 3.29Å; E35-Q46 PolarHBondContact OE1-NE2 2.85Å |
| 36 | E | 96.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 71.2 Ų | 71.2 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.5 | 165.4 | -171.6 | -173.8 | 163.5 | 0 | 0 | 109.3 | M14 I16 H38 R44 K45 L47 | M14-E36 HydrophobicContact CG-CG 3.62Å; M14-E36 VanDerWaalsContact SD-CD 3.52Å; M14-E36 HydrophobicContact SD-CG 3.63Å; I16-E36 HydrophobicContact CD1-CB 4.16Å; I16-E36 HydrophobicContact CD1-CG 4.25Å; E36-H38 IonicContact OE1-CE1 2.95Å; E36-H38 PolarHBondContact OE1-CE1 2.99Å; E36-H38 IonicContact OE1-ND1 3.84Å; E36-H38 IonicContact OE1-NE2 3.59Å; E36-R44 CarbonylContact O-C 3.49Å; E36-R44 VanDerWaalsContact O-CA 3.3Å; E36-R44 WeakPolarHBondContact O-CA 3.24Å; E36-K45 HydrophobicContact CB-CB 4.27Å; E36-K45 PolarHBondContact N-O 2.86Å; E36-K45 PolarHBondContact O-N 2.79Å; E36-L47 HydrophobicContact CB-CD1 4.15Å; E36-L47 HydrophobicContact CB-CG 4.46Å |
| 37 | I | 95.7 | Very high | 95.5 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.7 | 178.1 | -54.5 | -157.8 | 0 | 0 | 0 | 109.5 | M14 R15 E17 R44 | M14-I37 CarbonylContact C-O 3.57Å; M14-I37 WeakPolarHBondContact CA-O 3.41Å; R15-I37 HydrophobicContact CB-CB 4.5Å; R15-I37 PolarHBondContact N-O 2.78Å; R15-I37 PolarHBondContact O-N 2.81Å; E17-I37 HydrophobicContact CB-CD1 4.34Å; E17-I37 HydrophobicContact CG-CD1 3.81Å; E17-I37 HydrophobicContact CG-CG1 4.33Å; E17-I37 WeakPolarHBondContact OE1-CD1 3.44Å; E17-I37 VanDerWaalsContact OE2-CD1 3.28Å; E17-I37 WeakPolarHBondContact OE2-CD1 3.31Å; I37-R44 HydrophobicContact CD1-CG 4.2Å; I37-R44 VanDerWaalsContact CD1-NE 3.25Å; I37-R44 HydrophobicContact CG1-CG 4.21Å |
| 38 | H | 94.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118 | 172.6 | -72.6 | 72.5 | 0 | 0 | 0 | 110.2 | N13 E36 K40 T41 K42 S43 | N13-H38 CarbonylContact O-C 3.53Å; N13-H38 WeakPolarHBondContact O-CA 3.46Å; E36-H38 IonicContact OE1-CE1 2.95Å; E36-H38 PolarHBondContact OE1-CE1 2.99Å; E36-H38 IonicContact OE1-ND1 3.84Å; E36-H38 IonicContact OE1-NE2 3.59Å; H38-K40 VanDerWaalsContact C-N 3.27Å; H38-K40 PolarHBondContact O-N 2.89Å; H38-T41 WeakPolarHBondContact CB-OG1 3.37Å; H38-K42 WeakPolarHBondContact O-CA 3.26Å; H38-K42 PolarHBondContact O-N 3.08Å; H38-S43 WeakPolarHBondContact CB-OG 3.47Å; H38-S43 PolarHBondContact N-O 2.76Å; H38-S43 VanDerWaalsContact N-O 3.08Å |
| 39 | S | 88.5 | Confident | 95.5 | Very high | 44 Ų | 44 | 69.4 Ų | 69.4 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34 | -173.1 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | N13 K42 | N13-S39 PolarHBondContact O-N 2.72Å; S39-K42 WeakPolarHBondContact O-CE 3.29Å; S39-K42 PolarHBondContact O-NZ 3.33Å |
| 40 | K | 90 | Very high | 95.6 | Very high | 165 Ų | 165 | 71 Ų | 71 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -50.8 | -176.1 | -68.1 | -177.8 | 176.1 | 174.5 | 0 | 113.2 | N13 H38 | N13-K40 WeakPolarHBondContact OD1-CE 3.21Å; H38-K40 VanDerWaalsContact C-N 3.27Å; H38-K40 PolarHBondContact O-N 2.89Å |
| 41 | T | 92.8 | Very high | 95.5 | Very high | 97 Ų | 97 | 74.6 Ų | 74.6 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -13.6 | -176.4 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | H38 S43 | H38-T41 WeakPolarHBondContact CB-OG1 3.37Å; T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 PolarHBondContact OG1-N 3.14Å; T41-S43 PolarHBondContact OG1-OG 2.89Å |
| 42 | K | 88.4 | Confident | 95.5 | Very high | 155 Ų | 155 | 75.8 Ų | 75.8 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | trans | 56 | 16.6 | -170.4 | -55.2 | -61.4 | -174.6 | -174.8 | 0 | 113.4 | H38 S39 R44 | H38-K42 WeakPolarHBondContact O-CA 3.26Å; H38-K42 PolarHBondContact O-N 3.08Å; S39-K42 WeakPolarHBondContact O-CE 3.29Å; S39-K42 PolarHBondContact O-NZ 3.33Å; K42-R44 PolarHBondContact O-N 3.46Å | ||
| 43 | S | 94.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 81.2 Ų | 81.2 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | trans | -70.2 | 132.7 | 176.4 | 57 | 0 | 0 | 0 | 0 | 109.8 | H38 T41 | H38-S43 WeakPolarHBondContact CB-OG 3.47Å; H38-S43 PolarHBondContact N-O 2.76Å; H38-S43 VanDerWaalsContact N-O 3.08Å; T41-S43 PolarHBondContact O-N 3.26Å; T41-S43 PolarHBondContact OG1-N 3.14Å; T41-S43 PolarHBondContact OG1-OG 2.89Å | ||
| 44 | R | 95.9 | Very high | 95.5 | Very high | 138 Ų | 138 | 77.4 Ų | 77.4 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.3 | 174.4 | -60.1 | -176.5 | 114.9 | 164.7 | 5.7 | 109.5 | R3 E17 E35 E36 I37 K42 | R3-R44 VanDerWaalsContact NH1-NH2 3.14Å; E17-R44 IonicContact OE2-CZ 3.97Å; E17-R44 IonicContact OE2-NH2 2.75Å; E17-R44 PolarHBondContact OE2-NH2 2.89Å; E35-R44 IonicContact OE2-CZ 3.48Å; E35-R44 IonicContact OE2-NE 3.37Å; E35-R44 PolarHBondContact OE2-NE 2.89Å; E35-R44 IonicContact OE2-NH2 2.87Å; E36-R44 CarbonylContact O-C 3.49Å; E36-R44 VanDerWaalsContact O-CA 3.3Å; E36-R44 WeakPolarHBondContact O-CA 3.24Å; I37-R44 HydrophobicContact CD1-CG 4.2Å; I37-R44 VanDerWaalsContact CD1-NE 3.25Å; I37-R44 HydrophobicContact CG1-CG 4.21Å; K42-R44 PolarHBondContact O-N 3.46Å |
| 45 | K | 97.1 | Very high | 95.5 | Very high | 126 Ų | 126 | 82.9 Ų | 82.9 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.1 | 174.4 | 179.2 | -174.9 | 174 | -168.5 | 0 | 109.2 | E35 E36 | E35-K45 CarbonylContact C-O 3.53Å; E35-K45 VanDerWaalsContact CA-O 3.26Å; E35-K45 WeakPolarHBondContact CA-O 3.29Å; E36-K45 HydrophobicContact CB-CB 4.27Å; E36-K45 PolarHBondContact N-O 2.86Å; E36-K45 PolarHBondContact O-N 2.79Å |
| 46 | Q | 97.4 | Very high | 95.4 | Very high | 121 Ų | 121 | 85.4 Ų | 85.4 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.7 | 177.9 | -71.7 | -74.9 | -13.8 | 0 | 0 | 110.5 | E35 | E35-Q46 VanDerWaalsContact CG-CD 3.47Å; E35-Q46 HydrophobicContact CG-CG 4.3Å; E35-Q46 VanDerWaalsContact CG-NE2 3.29Å; E35-Q46 PolarHBondContact OE1-NE2 2.85Å |
| 47 | L | 97.5 | Very high | 95.4 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -23.3 | 177.7 | -58.2 | 178 | 0 | 0 | 0 | 111.9 | I16 A34 E36 I50 | I16-L47 HydrophobicContact CD1-CD1 4Å; A34-L47 HydrophobicContact CB-CB 4.34Å; A34-L47 WeakPolarHBondContact O-CB 3.16Å; A34-L47 PolarHBondContact O-N 2.9Å; E36-L47 HydrophobicContact CB-CD1 4.15Å; E36-L47 HydrophobicContact CB-CG 4.46Å; L47-I50 HydrophobicContact CB-CG2 3.88Å; L47-I50 HydrophobicContact CD1-CD1 3.95Å |
| 48 | G | 97.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 88.8 Ų | 88.8 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.3 | -131.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | A34 | A34-G48 WeakPolarHBondContact CB-O 3.32Å; A34-G48 PolarHBondContact N-O 3.25Å; A34-G48 PolarHBondContact O-N 2.91Å |
| 49 | R | 97.8 | Very high | 95.5 | Very high | 163 Ų | 163 | 89.4 Ų | 89.4 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.2 | 179.8 | -175.1 | 171.5 | -65.7 | 176.8 | 0.3 | 111.1 | I21 V30 L31 D32 | I21-R49 HydrophobicContact CD1-CG 4.35Å; V30-R49 HydrophobicContact CG1-CG 4.29Å; L31-R49 VanDerWaalsContact O-CA 3.31Å; L31-R49 WeakPolarHBondContact O-CA 3.23Å; D32-R49 VanDerWaalsContact CG-NH2 3.33Å; D32-R49 IonicContact OD1-CZ 3.31Å; D32-R49 VanDerWaalsContact OD1-CZ 3.31Å; D32-R49 IonicContact OD1-NE 2.87Å; D32-R49 PolarHBondContact OD1-NE 2.91Å; D32-R49 IonicContact OD1-NH2 2.89Å; D32-R49 PolarHBondContact OD1-NH2 3.34Å; D32-R49 IonicContact OD2-NH2 3.86Å; D32-R49 PolarHBondContact OD2-NH2 3.49Å; D32-R49 VanDerWaalsContact OD2-NH2 3.16Å |
| 50 | I | 97.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 90.7 Ų | 90.7 | 21% | 0.205 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.4 | -177.1 | 65.2 | 174.4 | 0 | 0 | 0 | 111.8 | I16 V30 L31 A34 L47 L52 | I16-I50 HydrophobicContact CG2-CD1 3.94Å; V30-I50 WeakPolarHBondContact CA-O 3.26Å; L31-I50 HydrophobicContact CB-CG1 4.12Å; L31-I50 PolarHBondContact N-O 2.8Å; L31-I50 PolarHBondContact O-N 2.93Å; A34-I50 HydrophobicContact CB-CD1 3.66Å; A34-I50 HydrophobicContact CB-CG1 3.69Å; L47-I50 HydrophobicContact CB-CG2 3.88Å; L47-I50 HydrophobicContact CD1-CD1 3.95Å; I50-L52 HydrophobicContact CD1-CD2 4.24Å; I50-L52 HydrophobicContact CD1-CG 4.35Å |
| 51 | M | 97.3 | Very high | 96.1 | Very high | 122 Ų | 122 | 87.3 Ų | 87.3 | 60% | 0.601 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.7 | 167.9 | -175.8 | -178.8 | -179.8 | 0 | 0 | 109 | N28 L29 | N28-M51 HydrophobicContact CB-CE 3.59Å; L29-M51 CarbonylContact O-C 3.58Å; L29-M51 VanDerWaalsContact O-CA 3.29Å; L29-M51 WeakPolarHBondContact O-CA 3.39Å |
| 52 | L | 96.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 86.5 Ų | 86.5 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135 | 171.6 | -68.8 | 176.6 | 0 | 0 | 0 | 109.4 | V6 I16 N28 L29 L31 I50 I57 | V6-L52 HydrophobicContact CB-CD1 4.22Å; V6-L52 HydrophobicContact CG1-CD1 4.07Å; V6-L52 HydrophobicContact CG2-CD1 3.96Å; I16-L52 HydrophobicContact CB-CD1 4.3Å; I16-L52 HydrophobicContact CG1-CD2 4.42Å; I16-L52 HydrophobicContact CG2-CD1 4.15Å; N28-L52 CarbonylContact C-O 3.46Å; N28-L52 VanDerWaalsContact CA-O 3.24Å; N28-L52 WeakPolarHBondContact CA-O 3.45Å; L29-L52 PolarHBondContact N-O 3.46Å; L29-L52 PolarHBondContact O-N 3.46Å; L31-L52 HydrophobicContact CD1-CD1 3.56Å; L31-L52 HydrophobicContact CD1-CG 4.33Å; L31-L52 HydrophobicContact CG-CD1 4.37Å; I50-L52 HydrophobicContact CD1-CD2 4.24Å; I50-L52 HydrophobicContact CD1-CG 4.35Å; L52-I57 HydrophobicContact CB-CD1 4.4Å |
| 53 | K | 97.3 | Very high | 96.3 | Very high | 135 Ų | 135 | 81.2 Ų | 81.2 | 59% | 0.587 | 41% | 0.413 | S | S | * | . | trans | -79 | 136.1 | 173.6 | -63.4 | -174.1 | 174.2 | -174.6 | 0 | 110.5 | N28 D55 N56 | N28-K53 VanDerWaalsContact OD1-CA 3.26Å; N28-K53 WeakPolarHBondContact OD1-CA 3.35Å; K53-D55 VanDerWaalsContact C-N 3.28Å; K53-D55 WeakPolarHBondContact CB-OD1 3.45Å; K53-D55 PolarHBondContact O-N 3.32Å; K53-N56 PolarHBondContact O-N 3.15Å; K53-N56 VanDerWaalsContact O-N 3.15Å | ||
| 54 | G | 96.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 83.7 Ų | 83.7 | 12% | 0.124 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -63.6 | -30 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M27 N28 N56 I57 | M27-G54 VanDerWaalsContact O-CA 3.24Å; M27-G54 WeakPolarHBondContact O-CA 3.46Å; N28-G54 PolarHBondContact OD1-N 3.16Å; G54-N56 PolarHBondContact O-N 3.27Å; G54-I57 PolarHBondContact O-N 3.12Å; G54-I57 VanDerWaalsContact O-N 3.12Å |
| 55 | D | 97 | Very high | 93.4 | Very high | 115 Ų | 115 | 88 Ų | 88 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -60.1 | -25.5 | 175 | 60.5 | -14.2 | 0 | 0 | 0 | 113.7 | K53 | K53-D55 VanDerWaalsContact C-N 3.28Å; K53-D55 WeakPolarHBondContact CB-OD1 3.45Å; K53-D55 PolarHBondContact O-N 3.32Å |
| 56 | N | 95.3 | Very high | 93.3 | Very high | 72 Ų | 72 | 86.1 Ų | 86.1 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -93 | -1.2 | -179.9 | -69.8 | -74.7 | 0 | 0 | 0 | 113.3 | L8 Y9 K53 G54 | L8-N56 CarbonylContact C-O 3.59Å; L8-N56 VanDerWaalsContact CA-O 3.29Å; L8-N56 WeakPolarHBondContact CA-O 3.24Å; Y9-N56 PolarHBondContact N-O 2.89Å; K53-N56 PolarHBondContact O-N 3.15Å; K53-N56 VanDerWaalsContact O-N 3.15Å; G54-N56 PolarHBondContact O-N 3.27Å |
| 57 | I | 96.6 | Very high | 93 | Very high | 32 Ų | 32 | 84.3 Ų | 84.3 | 16% | 0.164 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.1 | -175.9 | -60.2 | 178.2 | 0 | 0 | 0 | 110 | V6 M27 L29 L52 G54 L60 | V6-I57 HydrophobicContact CG1-CB 4.43Å; V6-I57 HydrophobicContact CG1-CD1 4.48Å; V6-I57 HydrophobicContact CG1-CG1 4Å; V6-I57 HydrophobicContact CG1-CG2 3.97Å; M27-I57 WeakPolarHBondContact O-CD1 2.95Å; L29-I57 HydrophobicContact CD1-CD1 3.62Å; L29-I57 HydrophobicContact CG-CD1 3.74Å; L52-I57 HydrophobicContact CB-CD1 4.4Å; G54-I57 PolarHBondContact O-N 3.12Å; G54-I57 VanDerWaalsContact O-N 3.12Å; I57-L60 HydrophobicContact CG2-CD2 3.93Å; I57-L60 HydrophobicContact CG2-CG 4.16Å |
| 58 | T | 96.6 | Very high | 92.8 | Very high | 88 Ų | 88 | 85.4 Ų | 85.4 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -41.6 | 175.5 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | W7 Y9 | W7-T58 PolarHBondContact O-N 2.92Å; Y9-T58 VanDerWaalsContact CA-OG1 3.32Å; Y9-T58 WeakPolarHBondContact CA-OG1 3.47Å; Y9-T58 PolarHBondContact N-OG1 2.85Å |
| 59 | L | 96.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 88.7 Ų | 88.7 | 41% | 0.408 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.9 | -177 | -177.1 | 144 | 0 | 0 | 0 | 110.9 | V6 W7 Q61 | V6-L59 WeakPolarHBondContact CA-O 3.5Å; W7-L59 HydrophobicContact CB-CB 3.93Å; W7-L59 HydrophobicContact CD2-CD2 4.34Å; W7-L59 HydrophobicContact CG-CB 4.07Å; W7-L59 HydrophobicContact CG-CD2 4.08Å; W7-L59 PolarHBondContact N-O 3.22Å; L59-Q61 HydrophobicContact CD2-CB 3.77Å |
| 60 | L | 95.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 84.1 Ų | 84.1 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.4 | 170.6 | -60.2 | 177.2 | 0 | 0 | 0 | 108.7 | I4 V6 L29 I57 | I4-L60 HydrophobicContact CD1-CD2 3.87Å; V6-L60 HydrophobicContact CB-CD2 4.19Å; V6-L60 HydrophobicContact CG1-CD2 3.94Å; V6-L60 HydrophobicContact CG2-CD2 3.68Å; L29-L60 HydrophobicContact CD1-CD1 4.11Å; L29-L60 HydrophobicContact CD1-CD2 3.77Å; I57-L60 HydrophobicContact CG2-CD2 3.93Å; I57-L60 HydrophobicContact CG2-CG 4.16Å |
| 61 | Q | 95.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 87 Ų | 87 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.4 | 179.6 | -170.8 | 177.7 | 3.5 | 0 | 0 | 109.8 | I4 Q5 L59 V63 | I4-Q61 CarbonylContact C-O 3.52Å; I4-Q61 VanDerWaalsContact CA-O 3.26Å; I4-Q61 WeakPolarHBondContact CA-O 3.41Å; Q5-Q61 PolarHBondContact N-O 2.83Å; Q5-Q61 PolarHBondContact O-N 3.29Å; L59-Q61 HydrophobicContact CD2-CB 3.77Å; Q61-V63 PolarHBondContact O-N 2.98Å |
| 62 | S | 94.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 84.5 Ų | 84.5 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.3 | 167 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | S64 | S62-S64 PolarHBondContact O-N 3.13Å |
| 63 | V | 90.1 | Very high | 91 | Very high | 44 Ų | 44 | 89.2 Ų | 89.2 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | trans | -90.8 | 101.8 | 173.5 | -151.8 | 0 | 0 | 0 | 0 | 107.4 | R3 Q5 Q61 | R3-V63 HydrophobicContact CB-CG2 4.47Å; R3-V63 PolarHBondContact O-N 3.14Å; Q5-V63 HydrophobicContact CB-CG2 3.87Å; Q61-V63 PolarHBondContact O-N 2.98Å | ||
| 64 | S | 75.9 | Confident | 90.5 | Very high | 109 Ų | 109 | 85.3 Ų | 85.3 | 76% | 0.762 | 49% | 0.488 | S | S | * | . | trans | -79 | 114.7 | 168.6 | 37.6 | 0 | 0 | 0 | 0 | 108.3 | S62 | S62-S64 PolarHBondContact O-N 3.13Š| ||
| 65 | N | 55.7 | Low | 89.9 | Confident | 229 Ų | 229 | 92 Ų | 92 | 100% | 1.225 | 52% | 0.521 | S | S | * | . | trans | -70.7 | 0 | 163.6 | -78.2 | -19.2 | 0 | 0 | 0 | 110.1 |
Retrieved 65 of 65 residues in 173.3 ms
(Link to these results)